NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
503862 | 1x6h | 10246 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -25.573 -12.993 18.088 2 HA2 GLY 1 1HA GLY 1 -23.533 -14.070 17.644 3 HA3 GLY 1 2HA GLY 1 -23.629 -13.518 15.979 4 H SER 2 H SER 2 -23.673 -11.821 19.112 5 HA SER 2 HA SER 2 -21.825 -9.849 18.050 6 HB2 SER 2 1HB SER 2 -23.091 -9.987 20.797 7 HB3 SER 2 2HB SER 2 -22.277 -8.596 20.081 8 HG SER 2 HG SER 2 -23.949 -8.285 18.737 9 H SER 3 H SER 3 -19.925 -9.179 19.290 10 HA SER 3 HA SER 3 -17.787 -9.849 19.864 11 HB2 SER 3 1HB SER 3 -17.704 -10.494 22.273 12 HB3 SER 3 2HB SER 3 -18.726 -9.090 21.967 13 HG SER 3 HG SER 3 -19.673 -10.688 23.375 14 H GLY 4 H GLY 4 -18.857 -11.776 18.172 15 HA2 GLY 4 1HA GLY 4 -17.357 -14.097 19.048 16 HA3 GLY 4 2HA GLY 4 -19.082 -14.369 18.845 17 H SER 5 H SER 5 -19.590 -12.799 16.614 18 HA SER 5 HA SER 5 -17.785 -13.787 14.533 19 HB2 SER 5 1HB SER 5 -19.665 -14.655 13.205 20 HB3 SER 5 2HB SER 5 -19.542 -15.494 14.752 21 HG SER 5 HG SER 5 -21.343 -13.400 14.094 22 H SER 6 H SER 6 -17.265 -12.145 13.266 23 HA SER 6 HA SER 6 -19.312 -10.161 12.577 24 HB2 SER 6 1HB SER 6 -17.614 -8.346 12.848 25 HB3 SER 6 2HB SER 6 -18.059 -9.121 14.367 26 HG SER 6 HG SER 6 -15.691 -8.762 13.718 27 H GLY 7 H GLY 7 -19.281 -9.523 10.488 28 HA2 GLY 7 1HA GLY 7 -18.223 -9.029 8.415 29 HA3 GLY 7 2HA GLY 7 -16.899 -10.091 8.871 30 H ARG 8 H ARG 8 -18.262 -12.383 9.585 31 HA ARG 8 HA ARG 8 -18.537 -13.760 7.242 32 HB2 ARG 8 1HB ARG 8 -18.496 -14.646 9.647 33 HB3 ARG 8 2HB ARG 8 -20.237 -14.403 9.643 34 HG2 ARG 8 1HG ARG 8 -20.403 -15.905 7.687 35 HG3 ARG 8 2HG ARG 8 -18.669 -16.206 7.814 36 HD2 ARG 8 1HD ARG 8 -19.730 -18.006 8.916 37 HD3 ARG 8 2HD ARG 8 -19.102 -16.957 10.186 38 HE ARG 8 HE ARG 8 -21.852 -16.469 9.443 39 HH11 ARG 8 2HH1 ARG 8 -19.667 -18.181 11.544 40 HH12 ARG 8 1HH1 ARG 8 -20.857 -18.453 12.775 41 HH21 ARG 8 2HH2 ARG 8 -23.427 -16.821 11.056 42 HH22 ARG 8 1HH2 ARG 8 -22.995 -17.680 12.495 43 H THR 9 H THR 9 -21.304 -12.632 9.197 44 HA THR 9 HA THR 9 -22.808 -12.255 6.698 45 HB THR 9 HB THR 9 -24.859 -13.069 7.875 46 HG1 THR 9 1HG THR 9 -24.727 -13.810 9.875 47 HG21 THR 9 1HG2 THR 9 -22.766 -15.229 7.817 48 HG22 THR 9 2HG2 THR 9 -23.370 -14.473 6.342 49 HG23 THR 9 3HG2 THR 9 -24.476 -15.343 7.404 50 H HIS 10 H HIS 10 -22.411 -10.015 6.872 51 HA HIS 10 HA HIS 10 -24.346 -8.611 8.441 52 HB2 HIS 10 1HB HIS 10 -22.582 -8.926 10.136 53 HB3 HIS 10 2HB HIS 10 -21.423 -8.142 9.067 54 HD1 HIS 10 1HD HIS 10 -20.965 -6.192 10.651 55 HD2 HIS 10 2HD HIS 10 -24.971 -6.585 9.621 56 HE1 HIS 10 1HE HIS 10 -22.076 -4.083 11.453 57 H THR 11 H THR 11 -25.117 -7.422 6.814 58 HA THR 11 HA THR 11 -23.325 -6.275 4.833 59 HB THR 11 HB THR 11 -25.403 -5.497 3.723 60 HG1 THR 11 1HG THR 11 -26.696 -6.871 5.864 61 HG21 THR 11 1HG2 THR 11 -24.531 -8.184 4.101 62 HG22 THR 11 2HG2 THR 11 -25.315 -7.469 2.693 63 HG23 THR 11 3HG2 THR 11 -26.290 -8.179 3.980 64 H GLY 12 H GLY 12 -22.331 -4.431 5.337 65 HA2 GLY 12 1HA GLY 12 -23.883 -2.378 6.791 66 HA3 GLY 12 2HA GLY 12 -22.149 -2.594 6.976 67 H GLU 13 H GLU 13 -24.522 -0.822 5.455 68 HA GLU 13 HA GLU 13 -23.763 -0.269 2.919 69 HB2 GLU 13 1HB GLU 13 -24.658 1.602 5.100 70 HB3 GLU 13 2HB GLU 13 -24.364 2.172 3.463 71 HG2 GLU 13 1HG GLU 13 -25.984 0.306 2.752 72 HG3 GLU 13 2HG GLU 13 -26.462 0.283 4.448 73 H LYS 14 H LYS 14 -21.721 -0.203 2.211 74 HA LYS 14 HA LYS 14 -19.414 0.443 3.458 75 HB2 LYS 14 1HB LYS 14 -20.219 1.035 0.611 76 HB3 LYS 14 2HB LYS 14 -18.575 1.243 1.200 77 HG2 LYS 14 1HG LYS 14 -18.229 -1.022 1.441 78 HG3 LYS 14 2HG LYS 14 -19.954 -1.378 1.567 79 HD2 LYS 14 1HD LYS 14 -20.126 -0.619 -0.857 80 HD3 LYS 14 2HD LYS 14 -18.362 -0.693 -0.892 81 HE2 LYS 14 1HE LYS 14 -18.884 -2.794 -1.643 82 HE3 LYS 14 2HE LYS 14 -18.765 -3.095 0.090 83 HZ1 LYS 14 1HZ LYS 14 -21.184 -2.885 -1.584 84 HZ2 LYS 14 2HZ LYS 14 -21.268 -2.615 0.084 85 HZ3 LYS 14 3HZ LYS 14 -20.741 -4.111 -0.505 86 HA PRO 15 HA PRO 15 -20.266 4.718 4.594 87 HB2 PRO 15 1HB PRO 15 -18.172 4.911 6.311 88 HB3 PRO 15 2HB PRO 15 -19.700 4.137 6.744 89 HG2 PRO 15 1HG PRO 15 -17.125 2.887 5.869 90 HG3 PRO 15 2HG PRO 15 -18.226 2.389 7.166 91 HD2 PRO 15 1HD PRO 15 -18.193 1.185 4.741 92 HD3 PRO 15 2HD PRO 15 -19.674 1.344 5.707 93 H TYR 16 H TYR 16 -17.221 3.321 3.514 94 HA TYR 16 HA TYR 16 -16.068 5.899 2.894 95 HB2 TYR 16 1HB TYR 16 -15.068 3.132 2.192 96 HB3 TYR 16 2HB TYR 16 -14.148 4.629 2.093 97 HD1 TYR 16 2HD TYR 16 -15.780 2.284 4.450 98 HD2 TYR 16 1HD TYR 16 -13.032 5.499 3.987 99 HE1 TYR 16 2HE TYR 16 -15.025 1.965 6.769 100 HE2 TYR 16 1HE TYR 16 -12.269 5.188 6.304 101 HH TYR 16 HH TYR 16 -12.386 2.836 7.979 102 H ALA 17 H ALA 17 -17.029 6.947 1.256 103 HA ALA 17 HA ALA 17 -17.486 5.464 -1.250 104 HB1 ALA 17 1HB ALA 17 -19.011 7.549 -1.697 105 HB2 ALA 17 2HB ALA 17 -19.590 6.204 -0.712 106 HB3 ALA 17 3HB ALA 17 -18.995 7.673 0.062 107 H CYS 18 H CYS 18 -15.927 5.839 -2.676 108 HA CYS 18 HA CYS 18 -14.007 7.816 -2.593 109 HB2 CYS 18 1HB CYS 18 -14.145 5.703 -4.071 110 HB3 CYS 18 2HB CYS 18 -15.022 6.724 -5.207 111 H SER 19 H SER 19 -13.724 9.813 -3.568 112 HA SER 19 HA SER 19 -16.196 11.251 -4.121 113 HB2 SER 19 1HB SER 19 -13.361 12.111 -3.572 114 HB3 SER 19 2HB SER 19 -14.570 13.249 -4.165 115 HG SER 19 HG SER 19 -15.275 11.664 -1.988 116 H HIS 20 H HIS 20 -13.192 10.341 -5.714 117 HA HIS 20 HA HIS 20 -13.504 11.860 -8.056 118 HB2 HIS 20 1HB HIS 20 -11.953 9.412 -7.322 119 HB3 HIS 20 2HB HIS 20 -12.080 9.854 -9.022 120 HD1 HIS 20 1HD HIS 20 -11.493 12.045 -5.964 121 HD2 HIS 20 2HD HIS 20 -9.729 11.060 -9.595 122 HE1 HIS 20 1HE HIS 20 -9.459 13.512 -6.143 123 H CYS 21 H CYS 21 -14.553 8.575 -7.241 124 HA CYS 21 HA CYS 21 -16.318 8.649 -9.599 125 HB2 CYS 21 1HB CYS 21 -16.032 6.250 -9.865 126 HB3 CYS 21 2HB CYS 21 -14.460 7.042 -9.905 127 H ASP 22 H ASP 22 -18.007 6.714 -9.279 128 HA ASP 22 HA ASP 22 -19.334 7.315 -6.740 129 HB2 ASP 22 1HB ASP 22 -20.464 7.576 -9.039 130 HB3 ASP 22 2HB ASP 22 -20.557 5.817 -9.048 131 H LYS 23 H LYS 23 -17.253 5.675 -6.311 132 HA LYS 23 HA LYS 23 -18.416 2.978 -6.105 133 HB2 LYS 23 1HB LYS 23 -15.559 3.928 -6.223 134 HB3 LYS 23 2HB LYS 23 -15.980 2.311 -5.674 135 HG2 LYS 23 1HG LYS 23 -17.054 3.235 -8.286 136 HG3 LYS 23 2HG LYS 23 -15.347 2.796 -8.180 137 HD2 LYS 23 1HD LYS 23 -16.265 0.661 -6.989 138 HD3 LYS 23 2HD LYS 23 -17.775 1.095 -7.795 139 HE2 LYS 23 1HE LYS 23 -16.698 1.014 -9.950 140 HE3 LYS 23 2HE LYS 23 -15.128 0.744 -9.196 141 HZ1 LYS 23 1HZ LYS 23 -15.542 -1.422 -8.952 142 HZ2 LYS 23 2HZ LYS 23 -16.777 -1.197 -10.085 143 HZ3 LYS 23 3HZ LYS 23 -17.132 -1.176 -8.432 144 H THR 24 H THR 24 -18.120 1.801 -4.142 145 HA THR 24 HA THR 24 -17.462 3.438 -1.790 146 HB THR 24 HB THR 24 -19.350 2.407 -0.557 147 HG1 THR 24 1HG THR 24 -20.945 1.309 -1.769 148 HG21 THR 24 1HG2 THR 24 -20.458 4.270 -1.068 149 HG22 THR 24 2HG2 THR 24 -20.978 3.560 -2.596 150 HG23 THR 24 3HG2 THR 24 -19.462 4.456 -2.511 151 H PHE 25 H PHE 25 -16.901 2.204 0.114 152 HA PHE 25 HA PHE 25 -16.344 -0.626 -0.255 153 HB2 PHE 25 1HB PHE 25 -14.096 1.183 0.609 154 HB3 PHE 25 2HB PHE 25 -14.013 -0.503 0.109 155 HD1 PHE 25 1HD PHE 25 -14.773 2.904 -1.155 156 HD2 PHE 25 2HD PHE 25 -13.516 -1.054 -2.092 157 HE1 PHE 25 1HE PHE 25 -14.250 3.617 -3.452 158 HE2 PHE 25 2HE PHE 25 -12.991 -0.347 -4.389 159 HZ PHE 25 HZ PHE 25 -13.357 1.991 -5.071 160 H ARG 26 H ARG 26 -15.808 -1.721 1.724 161 HA ARG 26 HA ARG 26 -17.224 -0.660 3.969 162 HB2 ARG 26 1HB ARG 26 -15.491 -3.132 3.794 163 HB3 ARG 26 2HB ARG 26 -16.639 -2.761 5.073 164 HG2 ARG 26 1HG ARG 26 -18.467 -2.848 3.429 165 HG3 ARG 26 2HG ARG 26 -17.297 -3.290 2.183 166 HD2 ARG 26 1HD ARG 26 -16.676 -5.261 3.611 167 HD3 ARG 26 2HD ARG 26 -18.047 -4.857 4.643 168 HE ARG 26 HE ARG 26 -18.755 -5.140 1.878 169 HH11 ARG 26 2HH1 ARG 26 -18.207 -6.840 4.867 170 HH12 ARG 26 1HH1 ARG 26 -19.211 -8.185 4.437 171 HH21 ARG 26 2HH2 ARG 26 -20.080 -6.905 1.302 172 HH22 ARG 26 1HH2 ARG 26 -20.275 -8.221 2.409 173 H GLN 27 H GLN 27 -13.832 -1.696 3.565 174 HA GLN 27 HA GLN 27 -13.110 -0.019 5.859 175 HB2 GLN 27 1HB GLN 27 -11.755 -2.328 4.489 176 HB3 GLN 27 2HB GLN 27 -10.872 -1.266 5.577 177 HG2 GLN 27 1HG GLN 27 -13.411 -2.581 6.451 178 HG3 GLN 27 2HG GLN 27 -11.876 -3.448 6.497 179 HE21 GLN 27 1HE2 GLN 27 -13.934 -1.430 8.166 180 HE22 GLN 27 2HE2 GLN 27 -12.851 -0.908 9.406 181 H LYS 28 H LYS 28 -11.662 1.640 5.716 182 HA LYS 28 HA LYS 28 -11.476 3.170 3.457 183 HB2 LYS 28 1HB LYS 28 -10.819 3.788 5.832 184 HB3 LYS 28 2HB LYS 28 -9.267 3.027 5.508 185 HG2 LYS 28 1HG LYS 28 -8.972 4.598 3.599 186 HG3 LYS 28 2HG LYS 28 -10.446 5.420 4.115 187 HD2 LYS 28 1HD LYS 28 -9.401 5.829 6.320 188 HD3 LYS 28 2HD LYS 28 -7.913 5.091 5.722 189 HE2 LYS 28 1HE LYS 28 -7.615 7.420 5.495 190 HE3 LYS 28 2HE LYS 28 -7.957 6.818 3.874 191 HZ1 LYS 28 1HZ LYS 28 -10.374 7.501 5.143 192 HZ2 LYS 28 2HZ LYS 28 -9.687 8.171 3.750 193 HZ3 LYS 28 3HZ LYS 28 -9.307 8.807 5.271 194 H GLN 29 H GLN 29 -9.056 0.829 4.608 195 HA GLN 29 HA GLN 29 -7.038 1.078 2.854 196 HB2 GLN 29 1HB GLN 29 -7.067 -0.669 4.540 197 HB3 GLN 29 2HB GLN 29 -8.344 -1.519 3.680 198 HG2 GLN 29 1HG GLN 29 -6.831 -1.916 1.810 199 HG3 GLN 29 2HG GLN 29 -5.550 -1.053 2.661 200 HE21 GLN 29 1HE2 GLN 29 -4.143 -2.723 2.864 201 HE22 GLN 29 2HE2 GLN 29 -4.454 -4.135 3.808 202 H LEU 30 H LEU 30 -10.107 -0.556 2.146 203 HA LEU 30 HA LEU 30 -9.490 -1.391 -0.454 204 HB2 LEU 30 1HB LEU 30 -12.035 -0.812 1.000 205 HB3 LEU 30 2HB LEU 30 -12.072 -1.167 -0.726 206 HG LEU 30 HG LEU 30 -12.557 -3.190 0.400 207 HD11 LEU 30 1HD1 LEU 30 -10.448 -2.948 -1.325 208 HD12 LEU 30 2HD1 LEU 30 -11.179 -4.467 -0.808 209 HD13 LEU 30 3HD1 LEU 30 -9.743 -3.857 0.012 210 HD21 LEU 30 1HD2 LEU 30 -10.030 -3.238 1.954 211 HD22 LEU 30 2HD2 LEU 30 -11.602 -3.947 2.322 212 HD23 LEU 30 3HD2 LEU 30 -11.340 -2.217 2.547 213 H LEU 31 H LEU 31 -11.200 1.535 0.643 214 HA LEU 31 HA LEU 31 -11.423 2.652 -1.960 215 HB2 LEU 31 1HB LEU 31 -12.986 3.430 -0.418 216 HB3 LEU 31 2HB LEU 31 -11.763 3.711 0.819 217 HG LEU 31 HG LEU 31 -10.933 5.638 -0.488 218 HD11 LEU 31 1HD1 LEU 31 -11.513 5.141 -2.707 219 HD12 LEU 31 2HD1 LEU 31 -12.543 6.499 -2.259 220 HD13 LEU 31 3HD1 LEU 31 -13.205 4.865 -2.293 221 HD21 LEU 31 1HD2 LEU 31 -12.625 7.129 0.190 222 HD22 LEU 31 2HD2 LEU 31 -12.711 5.774 1.316 223 HD23 LEU 31 3HD2 LEU 31 -13.886 5.910 0.006 224 H ASP 32 H ASP 32 -8.842 2.400 0.225 225 HA ASP 32 HA ASP 32 -7.450 4.774 -0.670 226 HB2 ASP 32 1HB ASP 32 -7.293 3.693 1.664 227 HB3 ASP 32 2HB ASP 32 -6.225 2.517 0.902 228 H MET 33 H MET 33 -7.249 1.278 -1.159 229 HA MET 33 HA MET 33 -4.975 1.512 -2.923 230 HB2 MET 33 1HB MET 33 -5.101 -0.879 -3.131 231 HB3 MET 33 2HB MET 33 -5.337 -0.461 -1.439 232 HG2 MET 33 1HG MET 33 -6.970 -2.027 -1.731 233 HG3 MET 33 2HG MET 33 -7.865 -0.548 -2.070 234 HE1 MET 33 1HE MET 33 -8.684 -3.439 -2.724 235 HE2 MET 33 2HE MET 33 -8.655 -3.889 -4.429 236 HE3 MET 33 3HE MET 33 -7.218 -4.119 -3.432 237 H HIS 34 H HIS 34 -8.425 1.439 -3.191 238 HA HIS 34 HA HIS 34 -8.663 0.597 -5.869 239 HB2 HIS 34 1HB HIS 34 -10.710 0.564 -4.836 240 HB3 HIS 34 2HB HIS 34 -10.396 2.039 -3.927 241 HD1 HIS 34 1HD HIS 34 -11.690 0.817 -7.216 242 HD2 HIS 34 2HD HIS 34 -11.143 4.411 -5.206 243 HE1 HIS 34 1HE HIS 34 -12.959 2.532 -8.547 244 H PHE 35 H PHE 35 -8.266 3.800 -4.421 245 HA PHE 35 HA PHE 35 -8.516 5.257 -6.835 246 HB2 PHE 35 1HB PHE 35 -8.758 6.241 -4.556 247 HB3 PHE 35 2HB PHE 35 -7.021 6.060 -4.332 248 HD1 PHE 35 2HD PHE 35 -5.580 7.132 -6.296 249 HD2 PHE 35 1HD PHE 35 -9.540 8.280 -5.240 250 HE1 PHE 35 2HE PHE 35 -5.218 9.330 -7.341 251 HE2 PHE 35 1HE PHE 35 -9.184 10.480 -6.284 252 HZ PHE 35 HZ PHE 35 -7.021 11.007 -7.335 253 H LYS 36 H LYS 36 -5.625 4.398 -4.932 254 HA LYS 36 HA LYS 36 -3.763 5.325 -6.832 255 HB2 LYS 36 1HB LYS 36 -3.645 3.536 -4.446 256 HB3 LYS 36 2HB LYS 36 -2.273 3.551 -5.545 257 HG2 LYS 36 1HG LYS 36 -3.409 6.070 -4.374 258 HG3 LYS 36 2HG LYS 36 -2.176 5.113 -3.550 259 HD2 LYS 36 1HD LYS 36 -0.848 5.292 -5.735 260 HD3 LYS 36 2HD LYS 36 -1.983 6.574 -6.168 261 HE2 LYS 36 1HE LYS 36 -1.336 7.879 -4.274 262 HE3 LYS 36 2HE LYS 36 -0.381 6.551 -3.616 263 HZ1 LYS 36 1HZ LYS 36 1.313 7.565 -4.630 264 HZ2 LYS 36 2HZ LYS 36 0.311 8.487 -5.633 265 HZ3 LYS 36 3HZ LYS 36 0.702 6.898 -6.060 266 H ARG 37 H ARG 37 -5.852 2.724 -6.982 267 HA ARG 37 HA ARG 37 -4.086 1.105 -8.662 268 HB2 ARG 37 1HB ARG 37 -5.323 -0.140 -7.012 269 HB3 ARG 37 2HB ARG 37 -6.838 0.583 -7.534 270 HG2 ARG 37 1HG ARG 37 -6.726 -0.580 -9.637 271 HG3 ARG 37 2HG ARG 37 -5.128 -1.214 -9.238 272 HD2 ARG 37 1HD ARG 37 -5.978 -2.629 -7.579 273 HD3 ARG 37 2HD ARG 37 -7.505 -1.752 -7.490 274 HE ARG 37 HE ARG 37 -7.065 -2.936 -10.055 275 HH11 ARG 37 2HH1 ARG 37 -8.164 -3.553 -6.810 276 HH12 ARG 37 1HH1 ARG 37 -9.176 -4.884 -7.266 277 HH21 ARG 37 2HH2 ARG 37 -8.394 -4.686 -10.668 278 HH22 ARG 37 1HH2 ARG 37 -9.305 -5.528 -9.461 279 H TYR 38 H TYR 38 -7.459 2.263 -8.833 280 HA TYR 38 HA TYR 38 -7.536 1.982 -11.682 281 HB2 TYR 38 1HB TYR 38 -9.429 3.101 -9.631 282 HB3 TYR 38 2HB TYR 38 -9.749 3.283 -11.353 283 HD1 TYR 38 1HD TYR 38 -8.852 0.615 -8.890 284 HD2 TYR 38 2HD TYR 38 -11.025 1.666 -12.394 285 HE1 TYR 38 1HE TYR 38 -9.854 -1.630 -8.934 286 HE2 TYR 38 2HE TYR 38 -12.035 -0.577 -12.447 287 HH TYR 38 HH TYR 38 -11.108 -3.037 -11.367 288 H HIS 39 H HIS 39 -8.061 4.873 -9.658 289 HA HIS 39 HA HIS 39 -7.749 6.747 -11.686 290 HB2 HIS 39 1HB HIS 39 -7.145 7.031 -8.736 291 HB3 HIS 39 2HB HIS 39 -7.295 8.376 -9.863 292 HD1 HIS 39 1HD HIS 39 -9.812 7.864 -11.328 293 HD2 HIS 39 2HD HIS 39 -9.417 6.981 -7.287 294 HE1 HIS 39 1HE HIS 39 -12.156 7.816 -10.417 295 H ASP 40 H ASP 40 -5.415 4.748 -10.277 296 HA ASP 40 HA ASP 40 -3.302 6.168 -11.702 297 HB2 ASP 40 1HB ASP 40 -3.249 5.529 -8.755 298 HB3 ASP 40 2HB ASP 40 -1.774 5.777 -9.687 299 HA PRO 41 HA PRO 41 -2.678 1.901 -12.843 300 HB2 PRO 41 1HB PRO 41 -0.676 2.389 -14.610 301 HB3 PRO 41 2HB PRO 41 -2.379 2.677 -14.985 302 HG2 PRO 41 1HG PRO 41 -0.274 4.624 -14.126 303 HG3 PRO 41 2HG PRO 41 -1.513 4.798 -15.383 304 HD2 PRO 41 1HD PRO 41 -1.770 5.897 -12.922 305 HD3 PRO 41 2HD PRO 41 -3.163 5.322 -13.861 306 H ASN 42 H ASN 42 -0.808 3.844 -10.934 307 HA ASN 42 HA ASN 42 1.689 2.516 -10.950 308 HB2 ASN 42 1HB ASN 42 0.355 4.111 -8.751 309 HB3 ASN 42 2HB ASN 42 2.049 3.628 -8.766 310 HD21 ASN 42 1HD2 ASN 42 0.075 6.137 -9.284 311 HD22 ASN 42 2HD2 ASN 42 1.002 7.032 -10.435 312 H PHE 43 H PHE 43 -0.883 2.387 -8.478 313 HA PHE 43 HA PHE 43 0.177 0.110 -7.185 314 HB2 PHE 43 1HB PHE 43 -1.401 1.781 -6.165 315 HB3 PHE 43 2HB PHE 43 -2.693 1.055 -7.116 316 HD1 PHE 43 1HD PHE 43 -2.728 -1.636 -6.877 317 HD2 PHE 43 2HD PHE 43 -1.257 1.118 -3.984 318 HE1 PHE 43 1HE PHE 43 -3.094 -3.305 -5.107 319 HE2 PHE 43 2HE PHE 43 -1.620 -0.547 -2.210 320 HZ PHE 43 HZ PHE 43 -2.539 -2.763 -2.770 321 H VAL 44 H VAL 44 0.092 -1.966 -7.720 322 HA VAL 44 HA VAL 44 -2.078 -2.900 -9.470 323 HB VAL 44 HB VAL 44 -0.132 -2.617 -10.895 324 HG11 VAL 44 1HG1 VAL 44 1.931 -2.918 -10.137 325 HG12 VAL 44 2HG1 VAL 44 1.281 -3.503 -8.604 326 HG13 VAL 44 3HG1 VAL 44 1.611 -4.637 -9.913 327 HG21 VAL 44 1HG2 VAL 44 -0.026 -4.822 -11.832 328 HG22 VAL 44 2HG2 VAL 44 -0.513 -5.549 -10.301 329 HG23 VAL 44 3HG2 VAL 44 -1.657 -4.564 -11.212 330 HA PRO 45 HA PRO 45 -2.350 -5.844 -6.131 331 HB2 PRO 45 1HB PRO 45 -4.467 -7.208 -7.146 332 HB3 PRO 45 2HB PRO 45 -4.629 -5.642 -6.342 333 HG2 PRO 45 1HG PRO 45 -4.545 -6.270 -9.268 334 HG3 PRO 45 2HG PRO 45 -5.604 -5.147 -8.394 335 HD2 PRO 45 1HD PRO 45 -3.429 -4.320 -9.779 336 HD3 PRO 45 2HD PRO 45 -3.996 -3.498 -8.311 337 H ALA 46 H ALA 46 -1.231 -7.669 -5.866 338 HA ALA 46 HA ALA 46 -0.178 -9.081 -8.139 339 HB1 ALA 46 1HB ALA 46 0.215 -9.195 -5.193 340 HB2 ALA 46 2HB ALA 46 0.688 -10.592 -6.161 341 HB3 ALA 46 3HB ALA 46 1.400 -9.011 -6.486 342 H ALA 47 H ALA 47 -1.415 -10.472 -9.218 343 HA ALA 47 HA ALA 47 -3.169 -12.271 -7.675 344 HB1 ALA 47 1HB ALA 47 -4.337 -12.440 -10.024 345 HB2 ALA 47 2HB ALA 47 -4.696 -11.108 -8.924 346 HB3 ALA 47 3HB ALA 47 -3.579 -10.866 -10.267 347 H PHE 48 H PHE 48 -2.072 -14.131 -7.476 348 HA PHE 48 HA PHE 48 -1.072 -15.382 -9.943 349 HB2 PHE 48 1HB PHE 48 0.289 -15.384 -7.241 350 HB3 PHE 48 2HB PHE 48 0.789 -16.368 -8.612 351 HD1 PHE 48 2HD PHE 48 0.567 -12.955 -7.283 352 HD2 PHE 48 1HD PHE 48 1.982 -15.419 -10.452 353 HE1 PHE 48 2HE PHE 48 1.971 -11.104 -8.092 354 HE2 PHE 48 1HE PHE 48 3.389 -13.572 -11.265 355 HZ PHE 48 HZ PHE 48 3.384 -11.410 -10.085 356 H VAL 49 H VAL 49 -2.373 -17.049 -10.318 357 HA VAL 49 HA VAL 49 -3.499 -18.546 -8.067 358 HB VAL 49 HB VAL 49 -4.223 -18.345 -10.973 359 HG11 VAL 49 1HG1 VAL 49 -4.422 -20.635 -10.801 360 HG12 VAL 49 2HG1 VAL 49 -4.821 -20.579 -9.082 361 HG13 VAL 49 3HG1 VAL 49 -6.022 -20.104 -10.284 362 HG21 VAL 49 1HG2 VAL 49 -6.422 -17.794 -10.066 363 HG22 VAL 49 2HG2 VAL 49 -5.819 -18.047 -8.428 364 HG23 VAL 49 3HG2 VAL 49 -5.182 -16.727 -9.408 365 H CYS 50 H CYS 50 -2.958 -20.599 -7.605 366 HA CYS 50 HA CYS 50 -0.578 -21.724 -8.468 367 HB2 CYS 50 1HB CYS 50 -2.123 -22.305 -6.440 368 HB3 CYS 50 2HB CYS 50 -2.836 -23.472 -7.549 369 H SER 51 H SER 51 -0.518 -24.065 -9.416 370 HA SER 51 HA SER 51 -2.239 -24.162 -11.804 371 HB2 SER 51 1HB SER 51 -0.417 -24.670 -13.208 372 HB3 SER 51 2HB SER 51 0.189 -23.375 -12.176 373 HG SER 51 HG SER 51 1.423 -24.788 -11.094 374 H LYS 52 H LYS 52 -0.813 -25.789 -9.156 375 HA LYS 52 HA LYS 52 -1.204 -28.454 -10.194 376 HB2 LYS 52 1HB LYS 52 -0.506 -27.449 -7.431 377 HB3 LYS 52 2HB LYS 52 -0.599 -29.150 -7.869 378 HG2 LYS 52 1HG LYS 52 1.160 -28.710 -9.594 379 HG3 LYS 52 2HG LYS 52 1.333 -27.093 -8.908 380 HD2 LYS 52 1HD LYS 52 2.152 -27.916 -6.878 381 HD3 LYS 52 2HD LYS 52 1.545 -29.544 -7.190 382 HE2 LYS 52 1HE LYS 52 3.563 -28.394 -9.052 383 HE3 LYS 52 2HE LYS 52 4.102 -28.945 -7.467 384 HZ1 LYS 52 1HZ LYS 52 3.590 -30.484 -9.732 385 HZ2 LYS 52 2HZ LYS 52 2.414 -30.891 -8.587 386 HZ3 LYS 52 3HZ LYS 52 4.054 -31.019 -8.195 387 H CYS 53 H CYS 53 -2.818 -26.303 -7.897 388 HA CYS 53 HA CYS 53 -5.095 -28.174 -7.860 389 HB2 CYS 53 1HB CYS 53 -5.676 -27.255 -5.656 390 HB3 CYS 53 2HB CYS 53 -4.060 -27.954 -5.653 391 H GLY 54 H GLY 54 -4.213 -24.730 -7.691 392 HA2 GLY 54 1HA GLY 54 -5.292 -23.240 -9.317 393 HA3 GLY 54 2HA GLY 54 -6.779 -24.131 -9.027 394 H LYS 55 H LYS 55 -4.531 -23.131 -6.520 395 HA LYS 55 HA LYS 55 -6.666 -21.734 -5.158 396 HB2 LYS 55 1HB LYS 55 -3.921 -22.649 -4.470 397 HB3 LYS 55 2HB LYS 55 -4.564 -21.283 -3.568 398 HG2 LYS 55 1HG LYS 55 -6.479 -22.610 -2.882 399 HG3 LYS 55 2HG LYS 55 -5.887 -23.977 -3.829 400 HD2 LYS 55 1HD LYS 55 -3.838 -23.998 -2.437 401 HD3 LYS 55 2HD LYS 55 -4.531 -22.709 -1.450 402 HE2 LYS 55 1HE LYS 55 -4.962 -24.730 -0.299 403 HE3 LYS 55 2HE LYS 55 -6.489 -24.246 -1.035 404 HZ1 LYS 55 1HZ LYS 55 -4.969 -25.912 -2.775 405 HZ2 LYS 55 2HZ LYS 55 -6.551 -26.111 -2.211 406 HZ3 LYS 55 3HZ LYS 55 -5.249 -26.677 -1.292 407 H THR 56 H THR 56 -5.836 -19.617 -3.974 408 HA THR 56 HA THR 56 -4.812 -17.845 -6.095 409 HB THR 56 HB THR 56 -5.985 -16.034 -4.651 410 HG1 THR 56 1HG THR 56 -7.778 -16.878 -3.488 411 HG21 THR 56 1HG2 THR 56 -7.876 -16.155 -6.012 412 HG22 THR 56 2HG2 THR 56 -7.879 -17.918 -6.014 413 HG23 THR 56 3HG2 THR 56 -6.661 -17.037 -6.936 414 H PHE 57 H PHE 57 -3.242 -16.340 -5.620 415 HA PHE 57 HA PHE 57 -2.226 -16.172 -2.891 416 HB2 PHE 57 1HB PHE 57 -0.571 -17.070 -5.254 417 HB3 PHE 57 2HB PHE 57 0.121 -16.525 -3.730 418 HD1 PHE 57 1HD PHE 57 -1.755 -19.184 -5.403 419 HD2 PHE 57 2HD PHE 57 0.014 -17.893 -1.753 420 HE1 PHE 57 1HE PHE 57 -1.954 -21.465 -4.504 421 HE2 PHE 57 2HE PHE 57 -0.182 -20.172 -0.848 422 HZ PHE 57 HZ PHE 57 -1.166 -21.962 -2.224 423 H THR 58 H THR 58 -1.633 -14.160 -2.382 424 HA THR 58 HA THR 58 -1.652 -12.143 -4.489 425 HB THR 58 HB THR 58 -1.368 -11.584 -1.544 426 HG1 THR 58 1HG THR 58 -3.668 -12.303 -3.025 427 HG21 THR 58 1HG2 THR 58 -3.000 -9.856 -3.261 428 HG22 THR 58 2HG2 THR 58 -1.298 -9.930 -3.717 429 HG23 THR 58 3HG2 THR 58 -1.753 -9.435 -2.087 430 H ARG 59 H ARG 59 0.617 -14.004 -4.127 431 HA ARG 59 HA ARG 59 2.714 -12.020 -4.218 432 HB2 ARG 59 1HB ARG 59 2.418 -13.929 -1.955 433 HB3 ARG 59 2HB ARG 59 4.039 -13.662 -2.581 434 HG2 ARG 59 1HG ARG 59 3.543 -11.171 -2.301 435 HG3 ARG 59 2HG ARG 59 2.174 -11.690 -1.315 436 HD2 ARG 59 1HD ARG 59 3.985 -11.277 0.167 437 HD3 ARG 59 2HD ARG 59 3.794 -13.027 0.057 438 HE ARG 59 HE ARG 59 5.663 -12.476 -1.827 439 HH11 ARG 59 2HH1 ARG 59 5.357 -11.713 1.556 440 HH12 ARG 59 1HH1 ARG 59 7.067 -11.692 1.840 441 HH21 ARG 59 2HH2 ARG 59 7.915 -12.452 -1.466 442 HH22 ARG 59 1HH2 ARG 59 8.520 -12.112 0.119 443 H ARG 60 H ARG 60 3.878 -12.526 -5.941 444 HA ARG 60 HA ARG 60 3.658 -14.867 -7.411 445 HB2 ARG 60 1HB ARG 60 4.739 -12.536 -7.971 446 HB3 ARG 60 2HB ARG 60 6.222 -13.325 -7.450 447 HG2 ARG 60 1HG ARG 60 4.501 -14.707 -9.442 448 HG3 ARG 60 2HG ARG 60 5.478 -13.334 -9.966 449 HD2 ARG 60 1HD ARG 60 6.605 -15.672 -8.443 450 HD3 ARG 60 2HD ARG 60 6.546 -15.611 -10.204 451 HE ARG 60 HE ARG 60 7.780 -13.277 -9.312 452 HH11 ARG 60 2HH1 ARG 60 8.362 -16.709 -9.334 453 HH12 ARG 60 1HH1 ARG 60 10.087 -16.548 -9.358 454 HH21 ARG 60 2HH2 ARG 60 10.049 -13.051 -9.343 455 HH22 ARG 60 1HH2 ARG 60 11.046 -14.467 -9.362 456 H ASN 61 H ASN 61 6.281 -13.926 -5.188 457 HA ASN 61 HA ASN 61 7.772 -16.281 -5.401 458 HB2 ASN 61 1HB ASN 61 7.535 -14.199 -3.240 459 HB3 ASN 61 2HB ASN 61 8.587 -15.598 -3.048 460 HD21 ASN 61 1HD2 ASN 61 8.190 -12.524 -4.451 461 HD22 ASN 61 2HD2 ASN 61 9.691 -12.462 -5.305 462 H THR 62 H THR 62 5.622 -15.352 -2.707 463 HA THR 62 HA THR 62 5.592 -17.631 -1.247 464 HB THR 62 HB THR 62 3.059 -16.118 -1.903 465 HG1 THR 62 1HG THR 62 3.900 -15.061 0.218 466 HG21 THR 62 1HG2 THR 62 3.880 -17.488 0.656 467 HG22 THR 62 2HG2 THR 62 2.884 -18.250 -0.584 468 HG23 THR 62 3HG2 THR 62 2.302 -16.812 0.255 469 H MET 63 H MET 63 3.320 -17.006 -3.931 470 HA MET 63 HA MET 63 2.014 -19.421 -3.980 471 HB2 MET 63 1HB MET 63 1.556 -17.386 -5.410 472 HB3 MET 63 2HB MET 63 2.850 -17.931 -6.468 473 HG2 MET 63 1HG MET 63 0.631 -19.801 -5.801 474 HG3 MET 63 2HG MET 63 0.361 -18.521 -6.981 475 HE1 MET 63 1HE MET 63 2.414 -19.386 -9.978 476 HE2 MET 63 2HE MET 63 0.700 -19.206 -9.606 477 HE3 MET 63 3HE MET 63 1.871 -18.068 -8.939 478 H ALA 64 H ALA 64 4.888 -18.596 -5.931 479 HA ALA 64 HA ALA 64 5.360 -20.986 -7.158 480 HB1 ALA 64 1HB ALA 64 7.411 -20.174 -7.681 481 HB2 ALA 64 2HB ALA 64 6.706 -18.683 -7.055 482 HB3 ALA 64 3HB ALA 64 7.754 -19.662 -6.029 483 H ARG 65 H ARG 65 6.406 -20.064 -3.889 484 HA ARG 65 HA ARG 65 7.794 -22.421 -3.282 485 HB2 ARG 65 1HB ARG 65 6.359 -20.461 -1.487 486 HB3 ARG 65 2HB ARG 65 7.375 -21.766 -0.890 487 HG2 ARG 65 1HG ARG 65 9.281 -20.808 -2.130 488 HG3 ARG 65 2HG ARG 65 8.248 -19.465 -2.624 489 HD2 ARG 65 1HD ARG 65 8.050 -18.666 -0.425 490 HD3 ARG 65 2HD ARG 65 8.643 -20.177 0.265 491 HE ARG 65 HE ARG 65 10.558 -18.826 -1.403 492 HH11 ARG 65 2HH1 ARG 65 9.242 -19.108 1.807 493 HH12 ARG 65 1HH1 ARG 65 10.661 -18.488 2.584 494 HH21 ARG 65 2HH2 ARG 65 12.432 -18.009 -0.392 495 HH22 ARG 65 1HH2 ARG 65 12.474 -17.862 1.332 496 H HIS 66 H HIS 66 4.413 -21.515 -2.678 497 HA HIS 66 HA HIS 66 3.611 -23.786 -1.291 498 HB2 HIS 66 1HB HIS 66 2.015 -22.110 -1.283 499 HB3 HIS 66 2HB HIS 66 2.193 -21.787 -3.005 500 HD1 HIS 66 1HD HIS 66 0.697 -24.390 -0.691 501 HD2 HIS 66 2HD HIS 66 0.325 -22.990 -4.584 502 HE1 HIS 66 1HE HIS 66 -1.312 -25.568 -1.640 503 H ALA 67 H ALA 67 3.555 -23.174 -4.792 504 HA ALA 67 HA ALA 67 2.355 -25.430 -5.736 505 HB1 ALA 67 1HB ALA 67 3.110 -24.779 -7.742 506 HB2 ALA 67 2HB ALA 67 3.763 -23.391 -6.871 507 HB3 ALA 67 3HB ALA 67 4.794 -24.779 -7.218 508 H ASP 68 H ASP 68 5.737 -25.118 -4.717 509 HA ASP 68 HA ASP 68 6.612 -27.671 -5.429 510 HB2 ASP 68 1HB ASP 68 7.505 -25.595 -3.492 511 HB3 ASP 68 2HB ASP 68 8.154 -27.221 -3.291 512 H ASN 69 H ASN 69 5.407 -26.536 -2.271 513 HA ASN 69 HA ASN 69 5.286 -29.240 -1.259 514 HB2 ASN 69 1HB ASN 69 4.861 -26.512 -0.147 515 HB3 ASN 69 2HB ASN 69 4.037 -27.847 0.654 516 HD21 ASN 69 1HD2 ASN 69 6.849 -26.088 0.474 517 HD22 ASN 69 2HD2 ASN 69 7.895 -27.162 1.333 518 H CYS 70 H CYS 70 3.406 -27.617 -3.349 519 HA CYS 70 HA CYS 70 0.802 -28.230 -2.285 520 HB2 CYS 70 1HB CYS 70 1.057 -26.304 -3.741 521 HB3 CYS 70 2HB CYS 70 1.685 -27.324 -5.032 522 H ALA 71 H ALA 71 -0.345 -30.039 -2.546 523 HA ALA 71 HA ALA 71 0.847 -32.225 -4.063 524 HB1 ALA 71 1HB ALA 71 -0.647 -32.041 -1.662 525 HB2 ALA 71 2HB ALA 71 -1.571 -33.020 -2.803 526 HB3 ALA 71 3HB ALA 71 0.085 -33.469 -2.395 527 H GLY 72 H GLY 72 -2.181 -30.387 -3.898 528 HA2 GLY 72 1HA GLY 72 -2.793 -30.164 -6.503 529 HA3 GLY 72 2HA GLY 72 -3.287 -31.817 -6.168 530 HA PRO 73 HA PRO 73 -6.837 -28.935 -5.271 531 HB2 PRO 73 1HB PRO 73 -8.651 -30.298 -6.762 532 HB3 PRO 73 2HB PRO 73 -7.611 -29.035 -7.432 533 HG2 PRO 73 1HG PRO 73 -7.293 -32.009 -7.548 534 HG3 PRO 73 2HG PRO 73 -7.047 -30.806 -8.828 535 HD2 PRO 73 1HD PRO 73 -4.995 -31.890 -7.433 536 HD3 PRO 73 2HD PRO 73 -4.954 -30.228 -8.056 537 H ASP 74 H ASP 74 -6.577 -32.455 -5.388 538 HA ASP 74 HA ASP 74 -7.568 -34.111 -4.160 539 HB2 ASP 74 1HB ASP 74 -6.009 -32.693 -2.557 540 HB3 ASP 74 2HB ASP 74 -7.542 -32.308 -1.779 541 H GLY 75 H GLY 75 -9.449 -32.496 -5.510 542 HA2 GLY 75 1HA GLY 75 -11.857 -33.321 -4.662 543 HA3 GLY 75 2HA GLY 75 -11.594 -31.914 -3.644 544 H VAL 76 H VAL 76 -13.726 -31.606 -5.030 545 HA VAL 76 HA VAL 76 -12.969 -30.030 -7.405 546 HB VAL 76 HB VAL 76 -15.551 -31.516 -6.905 547 HG11 VAL 76 1HG1 VAL 76 -15.937 -30.796 -9.352 548 HG12 VAL 76 2HG1 VAL 76 -16.222 -29.618 -8.070 549 HG13 VAL 76 3HG1 VAL 76 -14.734 -29.553 -9.014 550 HG21 VAL 76 1HG2 VAL 76 -13.079 -32.147 -8.349 551 HG22 VAL 76 2HG2 VAL 76 -14.334 -33.217 -7.725 552 HG23 VAL 76 3HG2 VAL 76 -14.556 -32.408 -9.276 553 H GLU 77 H GLU 77 -12.904 -27.977 -6.693 554 HA GLU 77 HA GLU 77 -15.364 -26.872 -5.556 555 HB2 GLU 77 1HB GLU 77 -12.630 -26.740 -4.334 556 HB3 GLU 77 2HB GLU 77 -13.764 -25.420 -4.088 557 HG2 GLU 77 1HG GLU 77 -14.412 -28.285 -3.457 558 HG3 GLU 77 2HG GLU 77 -13.709 -27.167 -2.289 559 H GLY 78 H GLY 78 -15.103 -24.360 -5.437 560 HA2 GLY 78 1HA GLY 78 -14.057 -22.420 -6.451 561 HA3 GLY 78 2HA GLY 78 -13.621 -23.438 -7.816 562 H GLU 79 H GLU 79 -16.767 -23.398 -6.240 563 HA GLU 79 HA GLU 79 -17.900 -21.944 -8.518 564 HB2 GLU 79 1HB GLU 79 -18.556 -24.736 -7.666 565 HB3 GLU 79 2HB GLU 79 -19.829 -23.722 -8.332 566 HG2 GLU 79 1HG GLU 79 -17.227 -24.128 -9.762 567 HG3 GLU 79 2HG GLU 79 -18.571 -25.257 -9.928 568 H ASN 80 H ASN 80 -18.915 -20.260 -7.664 569 HA ASN 80 HA ASN 80 -20.922 -20.647 -5.630 570 HB2 ASN 80 1HB ASN 80 -18.651 -20.302 -4.452 571 HB3 ASN 80 2HB ASN 80 -18.773 -18.635 -5.005 572 HD21 ASN 80 1HD2 ASN 80 -21.001 -21.018 -3.602 573 HD22 ASN 80 2HD2 ASN 80 -21.607 -19.973 -2.367 574 H SER 81 H SER 81 -22.265 -18.762 -5.321 575 HA SER 81 HA SER 81 -21.896 -16.375 -6.804 576 HB2 SER 81 1HB SER 81 -23.740 -16.698 -8.440 577 HB3 SER 81 2HB SER 81 -22.379 -17.783 -8.729 578 HG SER 81 HG SER 81 -23.635 -19.423 -8.353 579 H GLY 82 H GLY 82 -23.215 -14.800 -6.050 580 HA2 GLY 82 1HA GLY 82 -25.604 -15.609 -4.529 581 HA3 GLY 82 2HA GLY 82 -24.410 -14.557 -3.783 582 HA PRO 83 HA PRO 83 -26.529 -12.082 -7.387 583 HB2 PRO 83 1HB PRO 83 -28.884 -13.108 -8.265 584 HB3 PRO 83 2HB PRO 83 -27.327 -13.511 -9.000 585 HG2 PRO 83 1HG PRO 83 -28.942 -15.062 -7.012 586 HG3 PRO 83 2HG PRO 83 -28.079 -15.641 -8.449 587 HD2 PRO 83 1HD PRO 83 -27.070 -15.881 -5.948 588 HD3 PRO 83 2HD PRO 83 -26.039 -15.650 -7.375 589 H SER 84 H SER 84 -26.971 -10.578 -5.814 590 HA SER 84 HA SER 84 -29.734 -10.483 -4.885 591 HB2 SER 84 1HB SER 84 -27.342 -10.358 -3.036 592 HB3 SER 84 2HB SER 84 -28.973 -9.875 -2.571 593 HG SER 84 HG SER 84 -28.456 -12.429 -3.653 594 H SER 85 H SER 85 -30.025 -8.312 -3.603 595 HA SER 85 HA SER 85 -28.867 -6.226 -5.303 596 HB2 SER 85 1HB SER 85 -31.394 -6.511 -5.006 597 HB3 SER 85 2HB SER 85 -31.163 -5.881 -3.376 598 HG SER 85 HG SER 85 -30.405 -4.559 -5.772 599 H GLY 86 H GLY 86 -29.669 -6.765 -1.868 600 HA2 GLY 86 1HA GLY 86 -27.994 -6.402 -0.164 601 HA3 GLY 86 2HA GLY 86 -27.307 -5.141 -1.177 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -8.453 -15.269 -14.352 2 HA2 GLY 1 1HA GLY 1 -8.309 -18.020 -13.433 3 HA3 GLY 1 2HA GLY 1 -7.121 -16.934 -12.729 4 H SER 2 H SER 2 -7.927 -15.041 -11.572 5 HA SER 2 HA SER 2 -9.905 -15.718 -9.703 6 HB2 SER 2 1HB SER 2 -8.006 -14.032 -9.438 7 HB3 SER 2 2HB SER 2 -9.032 -12.892 -10.308 8 HG SER 2 HG SER 2 -10.596 -13.158 -8.674 9 H SER 3 H SER 3 -11.984 -14.848 -9.335 10 HA SER 3 HA SER 3 -13.516 -14.487 -11.734 11 HB2 SER 3 1HB SER 3 -14.279 -14.455 -8.808 12 HB3 SER 3 2HB SER 3 -15.443 -14.272 -10.119 13 HG SER 3 HG SER 3 -13.709 -16.438 -10.275 14 H GLY 4 H GLY 4 -12.947 -12.474 -8.843 15 HA2 GLY 4 1HA GLY 4 -12.435 -10.143 -9.000 16 HA3 GLY 4 2HA GLY 4 -13.267 -10.100 -10.547 17 H SER 5 H SER 5 -14.093 -11.076 -7.215 18 HA SER 5 HA SER 5 -16.133 -10.880 -6.139 19 HB2 SER 5 1HB SER 5 -14.819 -8.912 -5.452 20 HB3 SER 5 2HB SER 5 -15.483 -7.998 -6.805 21 HG SER 5 HG SER 5 -16.938 -7.483 -5.362 22 H SER 6 H SER 6 -16.660 -11.607 -8.747 23 HA SER 6 HA SER 6 -18.649 -9.805 -9.838 24 HB2 SER 6 1HB SER 6 -18.872 -11.477 -11.625 25 HB3 SER 6 2HB SER 6 -17.178 -11.065 -11.357 26 HG SER 6 HG SER 6 -16.993 -13.167 -11.234 27 H GLY 7 H GLY 7 -20.815 -9.990 -9.666 28 HA2 GLY 7 1HA GLY 7 -22.879 -10.889 -9.135 29 HA3 GLY 7 2HA GLY 7 -22.091 -12.433 -8.852 30 H ARG 8 H ARG 8 -23.906 -10.199 -7.390 31 HA ARG 8 HA ARG 8 -22.802 -10.856 -4.747 32 HB2 ARG 8 1HB ARG 8 -23.588 -8.163 -5.810 33 HB3 ARG 8 2HB ARG 8 -23.716 -8.506 -4.090 34 HG2 ARG 8 1HG ARG 8 -21.627 -7.604 -4.168 35 HG3 ARG 8 2HG ARG 8 -21.233 -9.309 -4.398 36 HD2 ARG 8 1HD ARG 8 -20.727 -9.034 -6.617 37 HD3 ARG 8 2HD ARG 8 -21.802 -7.649 -6.800 38 HE ARG 8 HE ARG 8 -19.501 -7.184 -5.119 39 HH11 ARG 8 2HH1 ARG 8 -20.813 -7.061 -8.342 40 HH12 ARG 8 1HH1 ARG 8 -19.675 -5.880 -8.901 41 HH21 ARG 8 2HH2 ARG 8 -17.997 -5.629 -5.843 42 HH22 ARG 8 1HH2 ARG 8 -18.073 -5.067 -7.479 43 H THR 9 H THR 9 -24.254 -11.619 -3.338 44 HA THR 9 HA THR 9 -27.072 -11.626 -4.157 45 HB THR 9 HB THR 9 -26.120 -13.835 -3.775 46 HG1 THR 9 1HG THR 9 -28.059 -12.865 -1.961 47 HG21 THR 9 1HG2 THR 9 -24.368 -13.588 -2.267 48 HG22 THR 9 2HG2 THR 9 -25.604 -14.377 -1.287 49 HG23 THR 9 3HG2 THR 9 -25.339 -12.640 -1.141 50 H HIS 10 H HIS 10 -24.918 -10.376 -1.787 51 HA HIS 10 HA HIS 10 -27.214 -9.386 -0.226 52 HB2 HIS 10 1HB HIS 10 -24.562 -10.446 0.643 53 HB3 HIS 10 2HB HIS 10 -25.299 -9.161 1.595 54 HD1 HIS 10 1HD HIS 10 -25.825 -10.604 3.620 55 HD2 HIS 10 2HD HIS 10 -27.458 -12.068 0.091 56 HE1 HIS 10 1HE HIS 10 -27.408 -12.430 4.318 57 H THR 11 H THR 11 -26.676 -7.325 0.983 58 HA THR 11 HA THR 11 -25.464 -5.468 -0.912 59 HB THR 11 HB THR 11 -26.463 -3.698 0.515 60 HG1 THR 11 1HG THR 11 -26.577 -4.646 2.516 61 HG21 THR 11 1HG2 THR 11 -28.100 -3.965 -0.983 62 HG22 THR 11 2HG2 THR 11 -28.921 -4.962 0.218 63 HG23 THR 11 3HG2 THR 11 -27.892 -5.715 -1.000 64 H GLY 12 H GLY 12 -25.258 -6.271 2.552 65 HA2 GLY 12 1HA GLY 12 -23.324 -6.334 3.858 66 HA3 GLY 12 2HA GLY 12 -22.429 -5.618 2.525 67 H GLU 13 H GLU 13 -21.436 -3.953 3.541 68 HA GLU 13 HA GLU 13 -22.976 -1.630 4.125 69 HB2 GLU 13 1HB GLU 13 -23.262 -2.993 6.223 70 HB3 GLU 13 2HB GLU 13 -21.528 -2.853 6.475 71 HG2 GLU 13 1HG GLU 13 -21.643 -0.658 7.054 72 HG3 GLU 13 2HG GLU 13 -23.066 -0.354 6.060 73 H LYS 14 H LYS 14 -21.734 -0.246 3.044 74 HA LYS 14 HA LYS 14 -18.877 -0.119 3.737 75 HB2 LYS 14 1HB LYS 14 -20.089 0.130 0.979 76 HB3 LYS 14 2HB LYS 14 -18.418 0.519 1.365 77 HG2 LYS 14 1HG LYS 14 -17.853 -1.700 1.737 78 HG3 LYS 14 2HG LYS 14 -19.532 -2.189 1.976 79 HD2 LYS 14 1HD LYS 14 -20.008 -1.997 -0.343 80 HD3 LYS 14 2HD LYS 14 -18.476 -1.176 -0.656 81 HE2 LYS 14 1HE LYS 14 -17.253 -3.117 -0.513 82 HE3 LYS 14 2HE LYS 14 -18.431 -3.909 0.534 83 HZ1 LYS 14 1HZ LYS 14 -19.187 -3.256 -2.228 84 HZ2 LYS 14 2HZ LYS 14 -19.735 -4.508 -1.233 85 HZ3 LYS 14 3HZ LYS 14 -18.204 -4.604 -1.946 86 HA PRO 15 HA PRO 15 -20.572 4.006 4.603 87 HB2 PRO 15 1HB PRO 15 -18.614 4.664 6.365 88 HB3 PRO 15 2HB PRO 15 -20.019 3.689 6.811 89 HG2 PRO 15 1HG PRO 15 -17.242 2.807 6.125 90 HG3 PRO 15 2HG PRO 15 -18.308 2.238 7.423 91 HD2 PRO 15 1HD PRO 15 -17.977 0.874 5.107 92 HD3 PRO 15 2HD PRO 15 -19.506 0.867 6.009 93 H TYR 16 H TYR 16 -17.339 3.010 3.669 94 HA TYR 16 HA TYR 16 -16.522 5.683 2.938 95 HB2 TYR 16 1HB TYR 16 -15.152 3.069 2.288 96 HB3 TYR 16 2HB TYR 16 -14.438 4.677 2.264 97 HD1 TYR 16 2HD TYR 16 -15.887 2.105 4.512 98 HD2 TYR 16 1HD TYR 16 -13.477 5.598 4.206 99 HE1 TYR 16 2HE TYR 16 -15.191 1.824 6.854 100 HE2 TYR 16 1HE TYR 16 -12.774 5.326 6.547 101 HH TYR 16 HH TYR 16 -14.094 2.732 8.571 102 H ALA 17 H ALA 17 -17.743 6.474 1.297 103 HA ALA 17 HA ALA 17 -18.005 4.849 -1.139 104 HB1 ALA 17 1HB ALA 17 -19.705 6.650 -1.758 105 HB2 ALA 17 2HB ALA 17 -20.139 5.537 -0.460 106 HB3 ALA 17 3HB ALA 17 -19.588 7.167 -0.075 107 H CYS 18 H CYS 18 -16.865 5.349 -2.894 108 HA CYS 18 HA CYS 18 -14.926 7.402 -2.879 109 HB2 CYS 18 1HB CYS 18 -15.004 5.175 -4.225 110 HB3 CYS 18 2HB CYS 18 -15.911 6.114 -5.407 111 H SER 19 H SER 19 -14.814 9.346 -3.984 112 HA SER 19 HA SER 19 -17.391 10.578 -4.536 113 HB2 SER 19 1HB SER 19 -15.340 11.575 -3.191 114 HB3 SER 19 2HB SER 19 -14.812 12.068 -4.800 115 HG SER 19 HG SER 19 -16.300 13.548 -4.809 116 H HIS 20 H HIS 20 -14.314 9.972 -6.190 117 HA HIS 20 HA HIS 20 -14.931 11.206 -8.623 118 HB2 HIS 20 1HB HIS 20 -13.085 8.933 -7.910 119 HB3 HIS 20 2HB HIS 20 -13.227 9.530 -9.561 120 HD1 HIS 20 1HD HIS 20 -12.875 11.376 -6.245 121 HD2 HIS 20 2HD HIS 20 -11.079 11.105 -9.982 122 HE1 HIS 20 1HE HIS 20 -11.028 13.082 -6.228 123 H CYS 21 H CYS 21 -15.491 7.891 -7.509 124 HA CYS 21 HA CYS 21 -17.294 7.516 -9.810 125 HB2 CYS 21 1HB CYS 21 -16.705 5.166 -9.866 126 HB3 CYS 21 2HB CYS 21 -15.239 6.133 -9.988 127 H ASP 22 H ASP 22 -18.775 5.498 -9.295 128 HA ASP 22 HA ASP 22 -20.102 6.145 -6.770 129 HB2 ASP 22 1HB ASP 22 -20.970 5.003 -9.376 130 HB3 ASP 22 2HB ASP 22 -21.840 4.479 -7.937 131 H LYS 23 H LYS 23 -17.796 4.738 -6.377 132 HA LYS 23 HA LYS 23 -18.655 1.966 -5.908 133 HB2 LYS 23 1HB LYS 23 -15.917 3.227 -6.057 134 HB3 LYS 23 2HB LYS 23 -16.182 1.583 -5.492 135 HG2 LYS 23 1HG LYS 23 -17.305 2.360 -8.130 136 HG3 LYS 23 2HG LYS 23 -15.564 2.099 -7.996 137 HD2 LYS 23 1HD LYS 23 -15.922 -0.137 -7.158 138 HD3 LYS 23 2HD LYS 23 -17.669 0.118 -7.126 139 HE2 LYS 23 1HE LYS 23 -16.158 0.459 -9.683 140 HE3 LYS 23 2HE LYS 23 -16.567 -1.160 -9.116 141 HZ1 LYS 23 1HZ LYS 23 -18.220 -0.149 -10.650 142 HZ2 LYS 23 2HZ LYS 23 -18.561 1.008 -9.465 143 HZ3 LYS 23 3HZ LYS 23 -18.867 -0.628 -9.162 144 H THR 24 H THR 24 -18.095 0.962 -3.870 145 HA THR 24 HA THR 24 -17.693 2.838 -1.647 146 HB THR 24 HB THR 24 -19.400 1.505 -0.330 147 HG1 THR 24 1HG THR 24 -20.152 -0.183 -1.357 148 HG21 THR 24 1HG2 THR 24 -20.800 3.201 -0.725 149 HG22 THR 24 2HG2 THR 24 -21.082 2.667 -2.382 150 HG23 THR 24 3HG2 THR 24 -19.703 3.702 -2.011 151 H PHE 25 H PHE 25 -16.888 1.870 0.295 152 HA PHE 25 HA PHE 25 -15.979 -0.893 0.135 153 HB2 PHE 25 1HB PHE 25 -13.981 1.257 0.804 154 HB3 PHE 25 2HB PHE 25 -13.681 -0.434 0.416 155 HD1 PHE 25 1HD PHE 25 -15.072 2.672 -1.096 156 HD2 PHE 25 2HD PHE 25 -13.001 -0.995 -1.711 157 HE1 PHE 25 1HE PHE 25 -14.693 3.285 -3.449 158 HE2 PHE 25 2HE PHE 25 -12.618 -0.388 -4.065 159 HZ PHE 25 HZ PHE 25 -13.463 1.755 -4.936 160 H ARG 26 H ARG 26 -15.442 -1.808 2.149 161 HA ARG 26 HA ARG 26 -16.767 -0.538 4.381 162 HB2 ARG 26 1HB ARG 26 -16.368 -2.646 5.552 163 HB3 ARG 26 2HB ARG 26 -17.072 -2.934 3.967 164 HG2 ARG 26 1HG ARG 26 -15.179 -3.907 3.146 165 HG3 ARG 26 2HG ARG 26 -14.114 -3.000 4.222 166 HD2 ARG 26 1HD ARG 26 -13.980 -5.045 5.216 167 HD3 ARG 26 2HD ARG 26 -15.390 -4.412 6.065 168 HE ARG 26 HE ARG 26 -16.365 -5.696 3.830 169 HH11 ARG 26 2HH1 ARG 26 -14.485 -6.554 6.631 170 HH12 ARG 26 1HH1 ARG 26 -15.055 -8.189 6.675 171 HH21 ARG 26 2HH2 ARG 26 -17.124 -7.847 3.877 172 HH22 ARG 26 1HH2 ARG 26 -16.555 -8.924 5.107 173 H GLN 27 H GLN 27 -13.513 -1.130 3.301 174 HA GLN 27 HA GLN 27 -12.497 0.083 5.787 175 HB2 GLN 27 1HB GLN 27 -11.224 -1.945 3.952 176 HB3 GLN 27 2HB GLN 27 -10.319 -1.061 5.173 177 HG2 GLN 27 1HG GLN 27 -12.633 -2.921 5.667 178 HG3 GLN 27 2HG GLN 27 -10.931 -3.256 5.981 179 HE21 GLN 27 1HE2 GLN 27 -9.850 -1.748 7.505 180 HE22 GLN 27 2HE2 GLN 27 -10.760 -1.193 8.865 181 H LYS 28 H LYS 28 -11.550 2.001 5.604 182 HA LYS 28 HA LYS 28 -11.527 3.571 3.371 183 HB2 LYS 28 1HB LYS 28 -11.120 4.519 5.546 184 HB3 LYS 28 2HB LYS 28 -9.624 3.609 5.717 185 HG2 LYS 28 1HG LYS 28 -9.023 5.836 5.206 186 HG3 LYS 28 2HG LYS 28 -8.737 4.885 3.747 187 HD2 LYS 28 1HD LYS 28 -11.064 5.617 3.009 188 HD3 LYS 28 2HD LYS 28 -10.989 6.794 4.322 189 HE2 LYS 28 1HE LYS 28 -8.783 6.599 2.303 190 HE3 LYS 28 2HE LYS 28 -10.251 7.509 1.949 191 HZ1 LYS 28 1HZ LYS 28 -8.443 7.980 4.258 192 HZ2 LYS 28 2HZ LYS 28 -9.850 8.854 3.915 193 HZ3 LYS 28 3HZ LYS 28 -8.528 8.932 2.862 194 H GLN 29 H GLN 29 -8.951 1.409 4.473 195 HA GLN 29 HA GLN 29 -6.928 2.068 2.736 196 HB2 GLN 29 1HB GLN 29 -6.710 0.397 4.526 197 HB3 GLN 29 2HB GLN 29 -7.723 -0.714 3.614 198 HG2 GLN 29 1HG GLN 29 -5.600 -1.475 3.153 199 HG3 GLN 29 2HG GLN 29 -5.947 -0.450 1.762 200 HE21 GLN 29 1HE2 GLN 29 -3.375 -1.232 2.763 201 HE22 GLN 29 2HE2 GLN 29 -2.540 0.217 3.198 202 H LEU 30 H LEU 30 -9.503 -0.325 2.153 203 HA LEU 30 HA LEU 30 -8.807 -1.077 -0.414 204 HB2 LEU 30 1HB LEU 30 -11.596 -0.732 0.674 205 HB3 LEU 30 2HB LEU 30 -11.142 -1.707 -0.721 206 HG LEU 30 HG LEU 30 -10.221 -2.248 2.100 207 HD11 LEU 30 1HD1 LEU 30 -12.362 -2.865 2.401 208 HD12 LEU 30 2HD1 LEU 30 -11.873 -4.290 1.485 209 HD13 LEU 30 3HD1 LEU 30 -12.692 -2.958 0.671 210 HD21 LEU 30 1HD2 LEU 30 -9.118 -3.086 -0.245 211 HD22 LEU 30 2HD2 LEU 30 -10.261 -4.385 0.095 212 HD23 LEU 30 3HD2 LEU 30 -9.028 -3.962 1.283 213 H LEU 31 H LEU 31 -11.022 1.540 0.550 214 HA LEU 31 HA LEU 31 -11.567 2.455 -2.051 215 HB2 LEU 31 1HB LEU 31 -13.033 3.157 -0.369 216 HB3 LEU 31 2HB LEU 31 -11.720 3.719 0.662 217 HG LEU 31 HG LEU 31 -11.361 5.631 -0.782 218 HD11 LEU 31 1HD1 LEU 31 -11.965 5.611 -2.912 219 HD12 LEU 31 2HD1 LEU 31 -13.662 5.543 -2.440 220 HD13 LEU 31 3HD1 LEU 31 -12.754 4.051 -2.680 221 HD21 LEU 31 1HD2 LEU 31 -12.853 6.308 0.796 222 HD22 LEU 31 2HD2 LEU 31 -14.043 5.079 0.362 223 HD23 LEU 31 3HD2 LEU 31 -13.858 6.521 -0.638 224 H ASP 32 H ASP 32 -8.968 3.154 0.192 225 HA ASP 32 HA ASP 32 -7.933 5.416 -1.171 226 HB2 ASP 32 1HB ASP 32 -7.456 4.615 1.237 227 HB3 ASP 32 2HB ASP 32 -6.265 3.549 0.497 228 H MET 33 H MET 33 -7.067 1.971 -1.219 229 HA MET 33 HA MET 33 -5.001 2.290 -3.156 230 HB2 MET 33 1HB MET 33 -5.020 -0.162 -3.273 231 HB3 MET 33 2HB MET 33 -5.004 0.403 -1.607 232 HG2 MET 33 1HG MET 33 -7.266 -0.158 -1.287 233 HG3 MET 33 2HG MET 33 -7.535 -0.374 -3.015 234 HE1 MET 33 1HE MET 33 -6.910 -2.377 -4.381 235 HE2 MET 33 2HE MET 33 -7.009 -3.961 -3.612 236 HE3 MET 33 3HE MET 33 -8.321 -2.799 -3.410 237 H HIS 34 H HIS 34 -8.427 1.521 -3.294 238 HA HIS 34 HA HIS 34 -8.632 0.601 -5.905 239 HB2 HIS 34 1HB HIS 34 -10.638 0.395 -4.822 240 HB3 HIS 34 2HB HIS 34 -10.475 1.942 -3.998 241 HD1 HIS 34 1HD HIS 34 -11.704 0.408 -7.179 242 HD2 HIS 34 2HD HIS 34 -11.528 4.142 -5.366 243 HE1 HIS 34 1HE HIS 34 -13.199 1.893 -8.551 244 H PHE 35 H PHE 35 -8.665 3.933 -4.695 245 HA PHE 35 HA PHE 35 -9.156 5.192 -7.159 246 HB2 PHE 35 1HB PHE 35 -9.376 6.324 -4.975 247 HB3 PHE 35 2HB PHE 35 -7.627 6.263 -4.778 248 HD1 PHE 35 2HD PHE 35 -6.269 7.332 -6.772 249 HD2 PHE 35 1HD PHE 35 -10.316 8.239 -5.816 250 HE1 PHE 35 2HE PHE 35 -6.061 9.483 -7.949 251 HE2 PHE 35 1HE PHE 35 -10.115 10.391 -6.992 252 HZ PHE 35 HZ PHE 35 -7.986 11.016 -8.060 253 H LYS 36 H LYS 36 -6.064 4.831 -5.415 254 HA LYS 36 HA LYS 36 -4.453 5.781 -7.515 255 HB2 LYS 36 1HB LYS 36 -3.854 4.025 -5.138 256 HB3 LYS 36 2HB LYS 36 -2.608 4.540 -6.268 257 HG2 LYS 36 1HG LYS 36 -3.589 6.926 -5.730 258 HG3 LYS 36 2HG LYS 36 -4.118 6.116 -4.254 259 HD2 LYS 36 1HD LYS 36 -1.981 5.789 -3.505 260 HD3 LYS 36 2HD LYS 36 -1.306 5.718 -5.134 261 HE2 LYS 36 1HE LYS 36 -2.066 8.252 -5.165 262 HE3 LYS 36 2HE LYS 36 -1.908 8.073 -3.419 263 HZ1 LYS 36 1HZ LYS 36 0.111 8.740 -5.000 264 HZ2 LYS 36 2HZ LYS 36 0.299 7.059 -5.018 265 HZ3 LYS 36 3HZ LYS 36 0.321 7.897 -3.549 266 H ARG 37 H ARG 37 -6.252 2.988 -7.350 267 HA ARG 37 HA ARG 37 -4.414 1.406 -8.984 268 HB2 ARG 37 1HB ARG 37 -5.500 0.220 -7.171 269 HB3 ARG 37 2HB ARG 37 -7.084 0.728 -7.743 270 HG2 ARG 37 1HG ARG 37 -6.813 -0.600 -9.754 271 HG3 ARG 37 2HG ARG 37 -5.189 -1.067 -9.245 272 HD2 ARG 37 1HD ARG 37 -5.996 -2.368 -7.473 273 HD3 ARG 37 2HD ARG 37 -7.586 -1.606 -7.523 274 HE ARG 37 HE ARG 37 -6.888 -3.060 -9.912 275 HH11 ARG 37 2HH1 ARG 37 -8.336 -3.228 -6.750 276 HH12 ARG 37 1HH1 ARG 37 -9.294 -4.623 -7.120 277 HH21 ARG 37 2HH2 ARG 37 -8.144 -4.897 -10.411 278 HH22 ARG 37 1HH2 ARG 37 -9.183 -5.573 -9.202 279 H TYR 38 H TYR 38 -7.890 2.212 -9.106 280 HA TYR 38 HA TYR 38 -8.022 1.724 -11.924 281 HB2 TYR 38 1HB TYR 38 -9.955 2.770 -9.876 282 HB3 TYR 38 2HB TYR 38 -10.346 2.833 -11.590 283 HD1 TYR 38 1HD TYR 38 -9.002 0.354 -9.128 284 HD2 TYR 38 2HD TYR 38 -11.598 1.089 -12.418 285 HE1 TYR 38 1HE TYR 38 -9.778 -1.978 -9.028 286 HE2 TYR 38 2HE TYR 38 -12.382 -1.241 -12.327 287 HH TYR 38 HH TYR 38 -12.077 -3.188 -9.820 288 H HIS 39 H HIS 39 -8.807 4.685 -10.097 289 HA HIS 39 HA HIS 39 -8.757 6.434 -12.245 290 HB2 HIS 39 1HB HIS 39 -8.029 7.000 -9.364 291 HB3 HIS 39 2HB HIS 39 -8.413 8.224 -10.570 292 HD1 HIS 39 1HD HIS 39 -10.935 7.313 -11.810 293 HD2 HIS 39 2HD HIS 39 -10.182 6.790 -7.758 294 HE1 HIS 39 1HE HIS 39 -13.194 7.060 -10.734 295 H ASP 40 H ASP 40 -6.147 4.888 -10.654 296 HA ASP 40 HA ASP 40 -4.258 6.410 -12.305 297 HB2 ASP 40 1HB ASP 40 -3.810 5.685 -9.401 298 HB3 ASP 40 2HB ASP 40 -2.629 6.448 -10.463 299 HA PRO 41 HA PRO 41 -3.298 2.186 -13.393 300 HB2 PRO 41 1HB PRO 41 -1.483 2.820 -15.310 301 HB3 PRO 41 2HB PRO 41 -3.229 2.919 -15.570 302 HG2 PRO 41 1HG PRO 41 -1.285 5.098 -14.912 303 HG3 PRO 41 2HG PRO 41 -2.618 5.104 -16.081 304 HD2 PRO 41 1HD PRO 41 -2.820 6.249 -13.636 305 HD3 PRO 41 2HD PRO 41 -4.206 5.504 -14.459 306 H ASN 42 H ASN 42 -1.525 4.361 -11.658 307 HA ASN 42 HA ASN 42 1.089 3.260 -11.821 308 HB2 ASN 42 1HB ASN 42 -0.138 4.797 -9.522 309 HB3 ASN 42 2HB ASN 42 1.579 4.589 -9.853 310 HD21 ASN 42 1HD2 ASN 42 2.552 5.799 -11.436 311 HD22 ASN 42 2HD2 ASN 42 1.777 7.139 -12.203 312 H PHE 43 H PHE 43 -1.256 3.092 -9.135 313 HA PHE 43 HA PHE 43 0.082 0.978 -7.822 314 HB2 PHE 43 1HB PHE 43 -1.544 2.607 -6.777 315 HB3 PHE 43 2HB PHE 43 -2.840 1.689 -7.537 316 HD1 PHE 43 1HD PHE 43 -2.651 -0.944 -7.083 317 HD2 PHE 43 2HD PHE 43 -1.064 2.123 -4.595 318 HE1 PHE 43 1HE PHE 43 -2.681 -2.488 -5.167 319 HE2 PHE 43 2HE PHE 43 -1.091 0.584 -2.675 320 HZ PHE 43 HZ PHE 43 -1.900 -1.725 -2.960 321 H VAL 44 H VAL 44 -0.020 -1.169 -8.057 322 HA VAL 44 HA VAL 44 -2.212 -2.341 -9.611 323 HB VAL 44 HB VAL 44 -0.389 -2.017 -11.205 324 HG11 VAL 44 1HG1 VAL 44 1.321 -2.328 -9.185 325 HG12 VAL 44 2HG1 VAL 44 1.368 -3.969 -9.834 326 HG13 VAL 44 3HG1 VAL 44 1.780 -2.599 -10.866 327 HG21 VAL 44 1HG2 VAL 44 -1.731 -4.401 -10.666 328 HG22 VAL 44 2HG2 VAL 44 -0.960 -3.935 -12.181 329 HG23 VAL 44 3HG2 VAL 44 -0.063 -4.875 -10.989 330 HA PRO 45 HA PRO 45 -1.986 -5.049 -6.072 331 HB2 PRO 45 1HB PRO 45 -4.101 -6.595 -6.785 332 HB3 PRO 45 2HB PRO 45 -4.283 -4.989 -6.071 333 HG2 PRO 45 1HG PRO 45 -4.437 -5.813 -8.945 334 HG3 PRO 45 2HG PRO 45 -5.476 -4.693 -8.045 335 HD2 PRO 45 1HD PRO 45 -3.497 -3.844 -9.686 336 HD3 PRO 45 2HD PRO 45 -3.973 -2.955 -8.225 337 H ALA 46 H ALA 46 -0.739 -6.788 -5.803 338 HA ALA 46 HA ALA 46 0.241 -8.266 -8.049 339 HB1 ALA 46 1HB ALA 46 1.926 -8.273 -6.573 340 HB2 ALA 46 2HB ALA 46 0.849 -8.063 -5.192 341 HB3 ALA 46 3HB ALA 46 1.100 -9.668 -5.878 342 H ALA 47 H ALA 47 -1.025 -9.706 -9.035 343 HA ALA 47 HA ALA 47 -2.702 -11.473 -7.380 344 HB1 ALA 47 1HB ALA 47 -3.887 -10.040 -9.028 345 HB2 ALA 47 2HB ALA 47 -3.022 -10.878 -10.317 346 HB3 ALA 47 3HB ALA 47 -4.136 -11.768 -9.280 347 H PHE 48 H PHE 48 -1.631 -13.309 -6.991 348 HA PHE 48 HA PHE 48 -0.440 -14.710 -9.287 349 HB2 PHE 48 1HB PHE 48 0.701 -14.527 -6.491 350 HB3 PHE 48 2HB PHE 48 1.320 -15.580 -7.759 351 HD1 PHE 48 2HD PHE 48 0.920 -12.087 -6.686 352 HD2 PHE 48 1HD PHE 48 2.679 -14.732 -9.519 353 HE1 PHE 48 2HE PHE 48 2.363 -10.263 -7.488 354 HE2 PHE 48 1HE PHE 48 4.126 -12.913 -10.325 355 HZ PHE 48 HZ PHE 48 3.968 -10.674 -9.310 356 H VAL 49 H VAL 49 -2.037 -16.181 -9.607 357 HA VAL 49 HA VAL 49 -2.957 -17.761 -7.308 358 HB VAL 49 HB VAL 49 -4.696 -16.717 -8.731 359 HG11 VAL 49 1HG1 VAL 49 -5.103 -17.706 -10.978 360 HG12 VAL 49 2HG1 VAL 49 -3.619 -16.756 -10.876 361 HG13 VAL 49 3HG1 VAL 49 -3.543 -18.518 -10.855 362 HG21 VAL 49 1HG2 VAL 49 -5.904 -18.956 -9.240 363 HG22 VAL 49 2HG2 VAL 49 -4.500 -19.691 -8.466 364 HG23 VAL 49 3HG2 VAL 49 -5.504 -18.552 -7.570 365 H CYS 50 H CYS 50 -2.664 -19.937 -7.184 366 HA CYS 50 HA CYS 50 -0.491 -21.112 -8.491 367 HB2 CYS 50 1HB CYS 50 -1.463 -21.847 -6.302 368 HB3 CYS 50 2HB CYS 50 -2.800 -22.570 -7.191 369 H SER 51 H SER 51 -0.466 -22.964 -9.932 370 HA SER 51 HA SER 51 -2.609 -22.786 -11.937 371 HB2 SER 51 1HB SER 51 0.225 -23.804 -12.262 372 HB3 SER 51 2HB SER 51 -0.970 -23.636 -13.548 373 HG SER 51 HG SER 51 -0.459 -21.612 -13.690 374 H LYS 52 H LYS 52 -1.015 -24.895 -9.724 375 HA LYS 52 HA LYS 52 -1.871 -27.352 -10.922 376 HB2 LYS 52 1HB LYS 52 -0.762 -26.660 -8.204 377 HB3 LYS 52 2HB LYS 52 -1.229 -28.297 -8.646 378 HG2 LYS 52 1HG LYS 52 0.420 -28.371 -10.376 379 HG3 LYS 52 2HG LYS 52 0.799 -26.662 -10.153 380 HD2 LYS 52 1HD LYS 52 2.502 -27.604 -8.949 381 HD3 LYS 52 2HD LYS 52 1.284 -27.449 -7.680 382 HE2 LYS 52 1HE LYS 52 0.878 -29.698 -7.606 383 HE3 LYS 52 2HE LYS 52 1.309 -29.942 -9.299 384 HZ1 LYS 52 1HZ LYS 52 3.547 -29.071 -7.772 385 HZ2 LYS 52 2HZ LYS 52 3.377 -30.453 -8.731 386 HZ3 LYS 52 3HZ LYS 52 2.879 -30.480 -7.115 387 H CYS 53 H CYS 53 -2.933 -25.465 -8.097 388 HA CYS 53 HA CYS 53 -5.407 -27.050 -8.041 389 HB2 CYS 53 1HB CYS 53 -5.705 -26.254 -5.763 390 HB3 CYS 53 2HB CYS 53 -4.100 -26.957 -5.941 391 H GLY 54 H GLY 54 -4.224 -23.701 -7.897 392 HA2 GLY 54 1HA GLY 54 -5.280 -22.010 -9.265 393 HA3 GLY 54 2HA GLY 54 -6.805 -22.856 -9.046 394 H LYS 55 H LYS 55 -4.510 -22.197 -6.471 395 HA LYS 55 HA LYS 55 -6.582 -20.712 -5.059 396 HB2 LYS 55 1HB LYS 55 -4.941 -22.595 -4.142 397 HB3 LYS 55 2HB LYS 55 -3.899 -21.206 -3.860 398 HG2 LYS 55 1HG LYS 55 -5.615 -20.170 -2.489 399 HG3 LYS 55 2HG LYS 55 -6.702 -21.524 -2.805 400 HD2 LYS 55 1HD LYS 55 -5.426 -23.002 -1.530 401 HD3 LYS 55 2HD LYS 55 -3.993 -21.974 -1.601 402 HE2 LYS 55 1HE LYS 55 -4.974 -21.884 0.612 403 HE3 LYS 55 2HE LYS 55 -5.133 -20.320 -0.184 404 HZ1 LYS 55 1HZ LYS 55 -7.152 -21.199 1.032 405 HZ2 LYS 55 2HZ LYS 55 -7.310 -22.323 -0.222 406 HZ3 LYS 55 3HZ LYS 55 -7.403 -20.667 -0.554 407 H THR 56 H THR 56 -6.445 -18.592 -4.472 408 HA THR 56 HA THR 56 -4.578 -16.958 -5.953 409 HB THR 56 HB THR 56 -5.826 -15.054 -4.815 410 HG1 THR 56 1HG THR 56 -7.974 -15.920 -4.031 411 HG21 THR 56 1HG2 THR 56 -6.669 -15.239 -6.902 412 HG22 THR 56 2HG2 THR 56 -8.068 -15.921 -6.072 413 HG23 THR 56 3HG2 THR 56 -6.856 -16.988 -6.781 414 H PHE 57 H PHE 57 -2.807 -15.972 -5.192 415 HA PHE 57 HA PHE 57 -2.321 -16.065 -2.287 416 HB2 PHE 57 1HB PHE 57 -0.394 -16.511 -4.568 417 HB3 PHE 57 2HB PHE 57 0.133 -16.201 -2.917 418 HD1 PHE 57 1HD PHE 57 -1.788 -18.541 -5.039 419 HD2 PHE 57 2HD PHE 57 0.184 -17.918 -1.319 420 HE1 PHE 57 1HE PHE 57 -1.998 -20.940 -4.529 421 HE2 PHE 57 2HE PHE 57 -0.021 -20.315 -0.804 422 HZ PHE 57 HZ PHE 57 -1.113 -21.830 -2.411 423 H THR 58 H THR 58 -0.321 -14.510 -1.821 424 HA THR 58 HA THR 58 -0.994 -11.923 -3.064 425 HB THR 58 HB THR 58 -0.008 -12.450 -0.253 426 HG1 THR 58 1HG THR 58 -2.520 -12.052 -1.399 427 HG21 THR 58 1HG2 THR 58 -0.605 -9.970 -0.013 428 HG22 THR 58 2HG2 THR 58 -0.544 -9.913 -1.774 429 HG23 THR 58 3HG2 THR 58 0.892 -10.365 -0.856 430 H ARG 59 H ARG 59 1.596 -13.972 -1.838 431 HA ARG 59 HA ARG 59 3.560 -12.164 -3.080 432 HB2 ARG 59 1HB ARG 59 3.666 -12.801 -0.562 433 HB3 ARG 59 2HB ARG 59 4.275 -14.344 -1.144 434 HG2 ARG 59 1HG ARG 59 6.188 -13.342 -2.096 435 HG3 ARG 59 2HG ARG 59 5.518 -11.720 -1.910 436 HD2 ARG 59 1HD ARG 59 5.704 -11.854 0.478 437 HD3 ARG 59 2HD ARG 59 6.174 -13.551 0.391 438 HE ARG 59 HE ARG 59 7.990 -11.976 -1.085 439 HH11 ARG 59 2HH1 ARG 59 7.058 -12.696 2.191 440 HH12 ARG 59 1HH1 ARG 59 8.626 -12.364 2.848 441 HH21 ARG 59 2HH2 ARG 59 10.059 -11.535 -0.232 442 HH22 ARG 59 1HH2 ARG 59 10.332 -11.703 1.469 443 H ARG 60 H ARG 60 4.716 -12.850 -4.774 444 HA ARG 60 HA ARG 60 4.042 -15.148 -6.200 445 HB2 ARG 60 1HB ARG 60 5.084 -13.292 -7.317 446 HB3 ARG 60 2HB ARG 60 6.520 -13.427 -6.310 447 HG2 ARG 60 1HG ARG 60 7.301 -15.280 -7.435 448 HG3 ARG 60 2HG ARG 60 5.699 -15.724 -8.027 449 HD2 ARG 60 1HD ARG 60 6.795 -14.896 -9.916 450 HD3 ARG 60 2HD ARG 60 5.802 -13.545 -9.369 451 HE ARG 60 HE ARG 60 7.717 -12.383 -8.818 452 HH11 ARG 60 2HH1 ARG 60 8.501 -15.678 -9.623 453 HH12 ARG 60 1HH1 ARG 60 10.208 -15.390 -9.698 454 HH21 ARG 60 2HH2 ARG 60 9.962 -11.992 -8.914 455 HH22 ARG 60 1HH2 ARG 60 11.038 -13.293 -9.293 456 H ASN 61 H ASN 61 7.099 -14.537 -4.457 457 HA ASN 61 HA ASN 61 8.296 -16.968 -4.682 458 HB2 ASN 61 1HB ASN 61 8.211 -15.274 -2.175 459 HB3 ASN 61 2HB ASN 61 9.408 -16.516 -2.532 460 HD21 ASN 61 1HD2 ASN 61 8.357 -13.297 -3.137 461 HD22 ASN 61 2HD2 ASN 61 9.707 -12.806 -4.097 462 H THR 62 H THR 62 5.856 -16.072 -2.265 463 HA THR 62 HA THR 62 5.812 -18.487 -0.855 464 HB THR 62 HB THR 62 3.456 -16.648 -1.310 465 HG1 THR 62 1HG THR 62 4.220 -15.537 0.502 466 HG21 THR 62 1HG2 THR 62 4.048 -18.874 0.583 467 HG22 THR 62 2HG2 THR 62 2.537 -18.451 -0.222 468 HG23 THR 62 3HG2 THR 62 3.095 -17.507 1.158 469 H MET 63 H MET 63 3.942 -17.435 -3.679 470 HA MET 63 HA MET 63 2.347 -19.771 -3.849 471 HB2 MET 63 1HB MET 63 1.882 -17.520 -4.924 472 HB3 MET 63 2HB MET 63 3.076 -17.950 -6.141 473 HG2 MET 63 1HG MET 63 0.864 -19.855 -5.602 474 HG3 MET 63 2HG MET 63 0.509 -18.384 -6.505 475 HE1 MET 63 1HE MET 63 0.883 -18.200 -9.088 476 HE2 MET 63 2HE MET 63 2.395 -17.612 -8.396 477 HE3 MET 63 3HE MET 63 2.425 -18.723 -9.766 478 H ALA 64 H ALA 64 5.136 -18.715 -5.809 479 HA ALA 64 HA ALA 64 5.488 -20.838 -7.454 480 HB1 ALA 64 1HB ALA 64 7.609 -19.276 -5.993 481 HB2 ALA 64 2HB ALA 64 7.943 -20.388 -7.321 482 HB3 ALA 64 3HB ALA 64 6.950 -18.957 -7.598 483 H ARG 65 H ARG 65 6.815 -20.625 -4.150 484 HA ARG 65 HA ARG 65 7.893 -23.231 -4.121 485 HB2 ARG 65 1HB ARG 65 7.016 -21.481 -1.816 486 HB3 ARG 65 2HB ARG 65 7.999 -22.930 -1.667 487 HG2 ARG 65 1HG ARG 65 9.786 -21.907 -2.913 488 HG3 ARG 65 2HG ARG 65 8.790 -20.485 -3.234 489 HD2 ARG 65 1HD ARG 65 8.649 -20.165 -0.739 490 HD3 ARG 65 2HD ARG 65 9.875 -21.422 -0.586 491 HE ARG 65 HE ARG 65 10.254 -18.722 -1.596 492 HH11 ARG 65 2HH1 ARG 65 11.567 -21.909 -1.112 493 HH12 ARG 65 1HH1 ARG 65 13.213 -21.400 -1.285 494 HH21 ARG 65 2HH2 ARG 65 12.418 -18.038 -1.826 495 HH22 ARG 65 1HH2 ARG 65 13.697 -19.197 -1.690 496 H HIS 66 H HIS 66 4.826 -21.933 -2.883 497 HA HIS 66 HA HIS 66 3.771 -24.129 -1.643 498 HB2 HIS 66 1HB HIS 66 2.357 -22.334 -1.473 499 HB3 HIS 66 2HB HIS 66 2.590 -21.854 -3.152 500 HD1 HIS 66 1HD HIS 66 0.628 -24.283 -1.042 501 HD2 HIS 66 2HD HIS 66 0.698 -22.796 -4.920 502 HE1 HIS 66 1HE HIS 66 -1.487 -25.115 -2.119 503 H ALA 67 H ALA 67 3.735 -23.430 -5.119 504 HA ALA 67 HA ALA 67 2.157 -25.459 -6.065 505 HB1 ALA 67 1HB ALA 67 4.444 -23.942 -7.148 506 HB2 ALA 67 2HB ALA 67 4.035 -25.441 -7.983 507 HB3 ALA 67 3HB ALA 67 2.822 -24.174 -7.799 508 H ASP 68 H ASP 68 5.585 -25.644 -5.181 509 HA ASP 68 HA ASP 68 6.192 -28.194 -6.017 510 HB2 ASP 68 1HB ASP 68 7.906 -26.784 -5.094 511 HB3 ASP 68 2HB ASP 68 7.092 -26.730 -3.532 512 H ASN 69 H ASN 69 5.021 -27.321 -2.760 513 HA ASN 69 HA ASN 69 4.562 -30.040 -2.024 514 HB2 ASN 69 1HB ASN 69 3.542 -27.498 -0.735 515 HB3 ASN 69 2HB ASN 69 3.531 -29.100 -0.003 516 HD21 ASN 69 1HD2 ASN 69 4.809 -26.647 0.899 517 HD22 ASN 69 2HD2 ASN 69 6.493 -27.008 1.045 518 H CYS 70 H CYS 70 2.877 -27.913 -3.984 519 HA CYS 70 HA CYS 70 0.215 -28.817 -3.334 520 HB2 CYS 70 1HB CYS 70 0.557 -26.547 -4.177 521 HB3 CYS 70 2HB CYS 70 1.241 -27.187 -5.668 522 H ALA 71 H ALA 71 -1.164 -29.968 -4.804 523 HA ALA 71 HA ALA 71 0.277 -31.667 -6.730 524 HB1 ALA 71 1HB ALA 71 -0.110 -32.970 -4.722 525 HB2 ALA 71 2HB ALA 71 -1.829 -32.574 -4.771 526 HB3 ALA 71 3HB ALA 71 -1.116 -33.569 -6.041 527 H GLY 72 H GLY 72 -2.794 -30.235 -5.736 528 HA2 GLY 72 1HA GLY 72 -3.698 -29.278 -8.070 529 HA3 GLY 72 2HA GLY 72 -4.081 -30.986 -8.229 530 HA PRO 73 HA PRO 73 -7.609 -28.759 -6.128 531 HB2 PRO 73 1HB PRO 73 -9.523 -29.610 -7.855 532 HB3 PRO 73 2HB PRO 73 -8.579 -28.139 -8.117 533 HG2 PRO 73 1HG PRO 73 -8.208 -30.864 -9.298 534 HG3 PRO 73 2HG PRO 73 -8.109 -29.279 -10.088 535 HD2 PRO 73 1HD PRO 73 -5.912 -30.670 -9.332 536 HD3 PRO 73 2HD PRO 73 -5.966 -28.896 -9.330 537 H ASP 74 H ASP 74 -7.634 -30.089 -4.350 538 HA ASP 74 HA ASP 74 -8.392 -32.879 -4.624 539 HB2 ASP 74 1HB ASP 74 -7.664 -31.201 -2.216 540 HB3 ASP 74 2HB ASP 74 -8.093 -32.907 -2.130 541 H GLY 75 H GLY 75 -9.617 -30.029 -2.858 542 HA2 GLY 75 1HA GLY 75 -11.733 -29.484 -2.156 543 HA3 GLY 75 2HA GLY 75 -12.302 -30.420 -3.531 544 H VAL 76 H VAL 76 -13.818 -30.377 -1.289 545 HA VAL 76 HA VAL 76 -13.225 -32.837 0.186 546 HB VAL 76 HB VAL 76 -15.065 -32.172 1.680 547 HG11 VAL 76 1HG1 VAL 76 -13.978 -30.145 2.622 548 HG12 VAL 76 2HG1 VAL 76 -12.848 -31.451 2.259 549 HG13 VAL 76 3HG1 VAL 76 -12.971 -30.063 1.177 550 HG21 VAL 76 1HG2 VAL 76 -15.357 -29.450 0.797 551 HG22 VAL 76 2HG2 VAL 76 -15.836 -30.567 -0.481 552 HG23 VAL 76 3HG2 VAL 76 -16.598 -30.665 1.107 553 H GLU 77 H GLU 77 -15.109 -34.282 0.660 554 HA GLU 77 HA GLU 77 -16.710 -35.731 -0.057 555 HB2 GLU 77 1HB GLU 77 -17.676 -33.373 -1.684 556 HB3 GLU 77 2HB GLU 77 -18.600 -34.824 -1.319 557 HG2 GLU 77 1HG GLU 77 -17.510 -33.231 0.940 558 HG3 GLU 77 2HG GLU 77 -18.908 -32.612 0.063 559 H GLY 78 H GLY 78 -14.255 -35.851 -1.368 560 HA2 GLY 78 1HA GLY 78 -15.019 -36.388 -4.168 561 HA3 GLY 78 2HA GLY 78 -13.384 -36.031 -3.631 562 H GLU 79 H GLU 79 -15.958 -38.444 -3.524 563 HA GLU 79 HA GLU 79 -14.062 -40.475 -2.626 564 HB2 GLU 79 1HB GLU 79 -17.052 -40.421 -2.954 565 HB3 GLU 79 2HB GLU 79 -16.187 -41.933 -2.720 566 HG2 GLU 79 1HG GLU 79 -16.276 -39.589 -0.837 567 HG3 GLU 79 2HG GLU 79 -17.031 -41.166 -0.613 568 H ASN 80 H ASN 80 -13.492 -42.268 -3.823 569 HA ASN 80 HA ASN 80 -13.025 -43.511 -5.670 570 HB2 ASN 80 1HB ASN 80 -15.565 -43.645 -5.721 571 HB3 ASN 80 2HB ASN 80 -15.517 -42.359 -6.924 572 HD21 ASN 80 1HD2 ASN 80 -14.510 -45.646 -6.223 573 HD22 ASN 80 2HD2 ASN 80 -14.357 -46.148 -7.869 574 H SER 81 H SER 81 -11.772 -41.049 -5.445 575 HA SER 81 HA SER 81 -11.801 -39.174 -7.350 576 HB2 SER 81 1HB SER 81 -9.983 -39.770 -5.531 577 HB3 SER 81 2HB SER 81 -9.148 -40.490 -6.908 578 HG SER 81 HG SER 81 -9.813 -38.241 -7.848 579 H GLY 82 H GLY 82 -12.014 -39.173 -9.481 580 HA2 GLY 82 1HA GLY 82 -10.771 -39.785 -11.569 581 HA3 GLY 82 2HA GLY 82 -10.876 -41.442 -10.996 582 HA PRO 83 HA PRO 83 -15.374 -40.114 -12.212 583 HB2 PRO 83 1HB PRO 83 -15.605 -37.784 -13.586 584 HB3 PRO 83 2HB PRO 83 -15.702 -37.874 -11.823 585 HG2 PRO 83 1HG PRO 83 -13.386 -37.100 -13.555 586 HG3 PRO 83 2HG PRO 83 -13.962 -36.348 -12.056 587 HD2 PRO 83 1HD PRO 83 -11.844 -38.034 -12.120 588 HD3 PRO 83 2HD PRO 83 -12.934 -37.923 -10.723 589 H SER 84 H SER 84 -12.860 -38.930 -14.433 590 HA SER 84 HA SER 84 -12.349 -39.471 -16.583 591 HB2 SER 84 1HB SER 84 -12.485 -41.809 -15.681 592 HB3 SER 84 2HB SER 84 -14.168 -41.859 -16.204 593 HG SER 84 HG SER 84 -13.521 -41.725 -18.306 594 H SER 85 H SER 85 -14.336 -37.603 -16.214 595 HA SER 85 HA SER 85 -15.629 -37.639 -18.741 596 HB2 SER 85 1HB SER 85 -17.937 -37.778 -18.067 597 HB3 SER 85 2HB SER 85 -17.106 -39.200 -17.435 598 HG SER 85 HG SER 85 -17.525 -38.552 -15.481 599 H GLY 86 H GLY 86 -17.082 -35.705 -19.011 600 HA2 GLY 86 1HA GLY 86 -16.044 -33.500 -17.345 601 HA3 GLY 86 2HA GLY 86 -16.503 -33.342 -19.034 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -3.041 -5.551 -19.678 2 HA2 GLY 1 1HA GLY 1 -5.606 -4.829 -18.406 3 HA3 GLY 1 2HA GLY 1 -5.556 -5.532 -20.016 4 H SER 2 H SER 2 -6.707 -6.434 -17.371 5 HA SER 2 HA SER 2 -5.870 -9.195 -17.627 6 HB2 SER 2 1HB SER 2 -5.353 -9.480 -15.247 7 HB3 SER 2 2HB SER 2 -4.266 -8.302 -15.980 8 HG SER 2 HG SER 2 -6.127 -6.808 -15.163 9 H SER 3 H SER 3 -7.685 -10.322 -17.707 10 HA SER 3 HA SER 3 -10.152 -9.227 -16.669 11 HB2 SER 3 1HB SER 3 -11.241 -11.059 -17.800 12 HB3 SER 3 2HB SER 3 -10.007 -10.408 -18.879 13 HG SER 3 HG SER 3 -10.177 -12.818 -18.507 14 H GLY 4 H GLY 4 -11.313 -9.948 -14.946 15 HA2 GLY 4 1HA GLY 4 -10.224 -12.237 -13.439 16 HA3 GLY 4 2HA GLY 4 -10.564 -10.716 -12.626 17 H SER 5 H SER 5 -11.914 -12.201 -11.296 18 HA SER 5 HA SER 5 -14.571 -12.532 -12.527 19 HB2 SER 5 1HB SER 5 -12.980 -14.371 -10.808 20 HB3 SER 5 2HB SER 5 -14.723 -14.322 -10.545 21 HG SER 5 HG SER 5 -13.273 -15.228 -12.741 22 H SER 6 H SER 6 -16.358 -12.557 -10.873 23 HA SER 6 HA SER 6 -15.785 -10.926 -8.513 24 HB2 SER 6 1HB SER 6 -17.875 -10.205 -10.583 25 HB3 SER 6 2HB SER 6 -17.653 -9.395 -9.032 26 HG SER 6 HG SER 6 -15.358 -9.584 -10.522 27 H GLY 7 H GLY 7 -17.627 -10.840 -7.000 28 HA2 GLY 7 1HA GLY 7 -19.993 -11.975 -6.892 29 HA3 GLY 7 2HA GLY 7 -19.004 -13.424 -6.994 30 H ARG 8 H ARG 8 -20.017 -10.769 -4.999 31 HA ARG 8 HA ARG 8 -19.089 -12.221 -2.647 32 HB2 ARG 8 1HB ARG 8 -18.161 -9.501 -3.467 33 HB3 ARG 8 2HB ARG 8 -18.386 -9.838 -1.755 34 HG2 ARG 8 1HG ARG 8 -16.623 -11.415 -3.620 35 HG3 ARG 8 2HG ARG 8 -16.072 -10.181 -2.484 36 HD2 ARG 8 1HD ARG 8 -17.367 -11.671 -0.747 37 HD3 ARG 8 2HD ARG 8 -17.111 -12.924 -1.961 38 HE ARG 8 HE ARG 8 -14.734 -11.459 -1.257 39 HH11 ARG 8 2HH1 ARG 8 -16.774 -14.176 -0.498 40 HH12 ARG 8 1HH1 ARG 8 -15.517 -15.063 0.300 41 HH21 ARG 8 2HH2 ARG 8 -13.071 -12.617 -0.208 42 HH22 ARG 8 1HH2 ARG 8 -13.412 -14.175 0.465 43 H THR 9 H THR 9 -20.169 -11.616 -0.701 44 HA THR 9 HA THR 9 -22.812 -10.468 -1.212 45 HB THR 9 HB THR 9 -22.736 -12.683 -0.142 46 HG1 THR 9 1HG THR 9 -24.124 -12.102 1.626 47 HG21 THR 9 1HG2 THR 9 -20.689 -11.477 1.419 48 HG22 THR 9 2HG2 THR 9 -21.248 -13.150 1.446 49 HG23 THR 9 3HG2 THR 9 -21.995 -11.953 2.504 50 H HIS 10 H HIS 10 -23.562 -8.658 -0.230 51 HA HIS 10 HA HIS 10 -21.648 -6.879 0.945 52 HB2 HIS 10 1HB HIS 10 -24.624 -6.427 0.896 53 HB3 HIS 10 2HB HIS 10 -23.332 -5.230 0.848 54 HD1 HIS 10 1HD HIS 10 -25.797 -6.209 -1.272 55 HD2 HIS 10 2HD HIS 10 -21.668 -6.160 -1.730 56 HE1 HIS 10 1HE HIS 10 -25.397 -6.168 -3.755 57 H THR 11 H THR 11 -21.033 -6.992 2.993 58 HA THR 11 HA THR 11 -22.882 -8.081 4.992 59 HB THR 11 HB THR 11 -19.933 -7.519 5.334 60 HG1 THR 11 1HG THR 11 -20.947 -10.116 5.001 61 HG21 THR 11 1HG2 THR 11 -22.036 -8.372 7.107 62 HG22 THR 11 2HG2 THR 11 -20.352 -7.997 7.471 63 HG23 THR 11 3HG2 THR 11 -20.803 -9.625 6.969 64 H GLY 12 H GLY 12 -23.456 -5.501 4.111 65 HA2 GLY 12 1HA GLY 12 -24.206 -3.977 6.047 66 HA3 GLY 12 2HA GLY 12 -22.477 -3.766 6.279 67 H GLU 13 H GLU 13 -23.094 -1.470 5.973 68 HA GLU 13 HA GLU 13 -23.375 -0.784 3.124 69 HB2 GLU 13 1HB GLU 13 -24.331 0.500 5.631 70 HB3 GLU 13 2HB GLU 13 -23.869 1.560 4.307 71 HG2 GLU 13 1HG GLU 13 -25.413 -0.098 2.936 72 HG3 GLU 13 2HG GLU 13 -26.139 -0.331 4.526 73 H LYS 14 H LYS 14 -21.414 -0.487 2.277 74 HA LYS 14 HA LYS 14 -19.055 0.111 3.554 75 HB2 LYS 14 1HB LYS 14 -19.934 0.839 0.757 76 HB3 LYS 14 2HB LYS 14 -18.279 0.991 1.332 77 HG2 LYS 14 1HG LYS 14 -17.921 -1.258 1.330 78 HG3 LYS 14 2HG LYS 14 -19.618 -1.640 1.633 79 HD2 LYS 14 1HD LYS 14 -20.157 -0.969 -0.675 80 HD3 LYS 14 2HD LYS 14 -18.445 -0.651 -0.967 81 HE2 LYS 14 1HE LYS 14 -18.598 -2.778 -1.790 82 HE3 LYS 14 2HE LYS 14 -18.192 -3.131 -0.112 83 HZ1 LYS 14 1HZ LYS 14 -20.571 -3.747 -1.571 84 HZ2 LYS 14 2HZ LYS 14 -20.913 -2.951 -0.119 85 HZ3 LYS 14 3HZ LYS 14 -20.012 -4.383 -0.106 86 HA PRO 15 HA PRO 15 -20.078 4.291 4.890 87 HB2 PRO 15 1HB PRO 15 -17.959 4.508 6.573 88 HB3 PRO 15 2HB PRO 15 -19.442 3.647 7.002 89 HG2 PRO 15 1HG PRO 15 -16.832 2.554 6.025 90 HG3 PRO 15 2HG PRO 15 -17.883 1.952 7.321 91 HD2 PRO 15 1HD PRO 15 -17.846 0.853 4.846 92 HD3 PRO 15 2HD PRO 15 -19.312 0.904 5.847 93 H TYR 16 H TYR 16 -16.959 3.094 3.753 94 HA TYR 16 HA TYR 16 -15.931 5.732 3.218 95 HB2 TYR 16 1HB TYR 16 -14.889 3.013 2.397 96 HB3 TYR 16 2HB TYR 16 -14.021 4.533 2.217 97 HD1 TYR 16 2HD TYR 16 -15.376 2.141 4.689 98 HD2 TYR 16 1HD TYR 16 -12.837 5.492 4.037 99 HE1 TYR 16 2HE TYR 16 -14.450 1.871 6.951 100 HE2 TYR 16 1HE TYR 16 -11.903 5.231 6.297 101 HH TYR 16 HH TYR 16 -12.996 2.620 8.447 102 H ALA 17 H ALA 17 -16.698 6.899 1.591 103 HA ALA 17 HA ALA 17 -17.327 5.529 -0.944 104 HB1 ALA 17 1HB ALA 17 -18.624 7.997 0.208 105 HB2 ALA 17 2HB ALA 17 -18.975 7.300 -1.374 106 HB3 ALA 17 3HB ALA 17 -19.345 6.392 0.092 107 H CYS 18 H CYS 18 -15.944 5.994 -2.511 108 HA CYS 18 HA CYS 18 -13.895 7.855 -2.375 109 HB2 CYS 18 1HB CYS 18 -13.997 5.930 -3.953 110 HB3 CYS 18 2HB CYS 18 -15.191 6.812 -4.900 111 H SER 19 H SER 19 -13.541 9.860 -3.415 112 HA SER 19 HA SER 19 -15.961 11.482 -3.602 113 HB2 SER 19 1HB SER 19 -13.077 12.035 -3.097 114 HB3 SER 19 2HB SER 19 -14.033 13.310 -3.851 115 HG SER 19 HG SER 19 -14.080 13.470 -1.579 116 H HIS 20 H HIS 20 -13.204 10.464 -5.536 117 HA HIS 20 HA HIS 20 -13.671 12.124 -7.765 118 HB2 HIS 20 1HB HIS 20 -12.115 9.639 -7.249 119 HB3 HIS 20 2HB HIS 20 -12.452 10.051 -8.928 120 HD1 HIS 20 1HD HIS 20 -11.435 12.288 -6.020 121 HD2 HIS 20 2HD HIS 20 -10.172 11.193 -9.824 122 HE1 HIS 20 1HE HIS 20 -9.413 13.707 -6.492 123 H CYS 21 H CYS 21 -14.665 8.780 -7.081 124 HA CYS 21 HA CYS 21 -16.676 9.040 -9.221 125 HB2 CYS 21 1HB CYS 21 -16.508 6.640 -9.593 126 HB3 CYS 21 2HB CYS 21 -14.922 7.385 -9.763 127 H ASP 22 H ASP 22 -18.310 6.997 -8.775 128 HA ASP 22 HA ASP 22 -19.409 7.585 -6.116 129 HB2 ASP 22 1HB ASP 22 -20.926 8.121 -7.918 130 HB3 ASP 22 2HB ASP 22 -20.719 6.521 -8.624 131 H LYS 23 H LYS 23 -17.406 5.907 -5.823 132 HA LYS 23 HA LYS 23 -18.611 3.222 -5.679 133 HB2 LYS 23 1HB LYS 23 -15.753 4.106 -6.018 134 HB3 LYS 23 2HB LYS 23 -16.157 2.486 -5.465 135 HG2 LYS 23 1HG LYS 23 -17.357 3.559 -7.982 136 HG3 LYS 23 2HG LYS 23 -15.717 2.905 -7.977 137 HD2 LYS 23 1HD LYS 23 -16.710 0.841 -6.870 138 HD3 LYS 23 2HD LYS 23 -18.290 1.498 -7.302 139 HE2 LYS 23 1HE LYS 23 -17.591 1.552 -9.664 140 HE3 LYS 23 2HE LYS 23 -16.046 0.835 -9.208 141 HZ1 LYS 23 1HZ LYS 23 -17.631 -0.954 -8.153 142 HZ2 LYS 23 2HZ LYS 23 -17.193 -1.023 -9.785 143 HZ3 LYS 23 3HZ LYS 23 -18.699 -0.392 -9.340 144 H THR 24 H THR 24 -18.322 1.996 -3.786 145 HA THR 24 HA THR 24 -17.399 3.509 -1.433 146 HB THR 24 HB THR 24 -19.200 2.527 -0.095 147 HG1 THR 24 1HG THR 24 -19.621 1.115 -2.438 148 HG21 THR 24 1HG2 THR 24 -19.525 4.474 -2.162 149 HG22 THR 24 2HG2 THR 24 -20.315 4.391 -0.587 150 HG23 THR 24 3HG2 THR 24 -21.032 3.577 -1.977 151 H PHE 25 H PHE 25 -16.805 2.150 0.412 152 HA PHE 25 HA PHE 25 -16.266 -0.649 -0.143 153 HB2 PHE 25 1HB PHE 25 -13.969 1.118 0.685 154 HB3 PHE 25 2HB PHE 25 -13.914 -0.550 0.124 155 HD1 PHE 25 1HD PHE 25 -14.806 2.880 -1.003 156 HD2 PHE 25 2HD PHE 25 -13.453 -1.005 -2.097 157 HE1 PHE 25 1HE PHE 25 -14.397 3.672 -3.296 158 HE2 PHE 25 2HE PHE 25 -13.041 -0.219 -4.392 159 HZ PHE 25 HZ PHE 25 -13.512 2.122 -4.994 160 H ARG 26 H ARG 26 -15.638 -1.851 1.744 161 HA ARG 26 HA ARG 26 -16.955 -0.950 4.102 162 HB2 ARG 26 1HB ARG 26 -16.086 -3.073 5.090 163 HB3 ARG 26 2HB ARG 26 -16.976 -3.295 3.590 164 HG2 ARG 26 1HG ARG 26 -14.510 -3.099 2.587 165 HG3 ARG 26 2HG ARG 26 -14.118 -3.734 4.186 166 HD2 ARG 26 1HD ARG 26 -15.411 -5.673 3.846 167 HD3 ARG 26 2HD ARG 26 -16.225 -4.978 2.445 168 HE ARG 26 HE ARG 26 -14.410 -5.539 1.132 169 HH11 ARG 26 2HH1 ARG 26 -13.678 -6.068 4.495 170 HH12 ARG 26 1HH1 ARG 26 -12.224 -6.953 4.174 171 HH21 ARG 26 2HH2 ARG 26 -12.497 -6.703 0.697 172 HH22 ARG 26 1HH2 ARG 26 -11.552 -7.313 2.013 173 H GLN 27 H GLN 27 -13.537 -1.735 3.441 174 HA GLN 27 HA GLN 27 -12.792 -0.133 5.789 175 HB2 GLN 27 1HB GLN 27 -11.387 -2.343 4.305 176 HB3 GLN 27 2HB GLN 27 -10.530 -1.290 5.423 177 HG2 GLN 27 1HG GLN 27 -13.009 -2.640 6.355 178 HG3 GLN 27 2HG GLN 27 -11.531 -3.588 6.197 179 HE21 GLN 27 1HE2 GLN 27 -13.228 -2.446 8.491 180 HE22 GLN 27 2HE2 GLN 27 -12.049 -1.763 9.552 181 H LYS 28 H LYS 28 -11.269 1.500 5.647 182 HA LYS 28 HA LYS 28 -11.267 3.134 3.433 183 HB2 LYS 28 1HB LYS 28 -10.493 3.672 5.797 184 HB3 LYS 28 2HB LYS 28 -8.945 2.965 5.351 185 HG2 LYS 28 1HG LYS 28 -8.790 4.617 3.502 186 HG3 LYS 28 2HG LYS 28 -10.263 5.373 4.116 187 HD2 LYS 28 1HD LYS 28 -9.176 5.865 6.221 188 HD3 LYS 28 2HD LYS 28 -7.723 5.007 5.704 189 HE2 LYS 28 1HE LYS 28 -7.608 6.653 3.780 190 HE3 LYS 28 2HE LYS 28 -8.849 7.579 4.623 191 HZ1 LYS 28 1HZ LYS 28 -6.900 8.537 5.354 192 HZ2 LYS 28 2HZ LYS 28 -6.060 7.070 5.421 193 HZ3 LYS 28 3HZ LYS 28 -7.224 7.433 6.595 194 H GLN 29 H GLN 29 -8.731 0.822 4.384 195 HA GLN 29 HA GLN 29 -6.817 1.157 2.540 196 HB2 GLN 29 1HB GLN 29 -6.945 -0.692 4.233 197 HB3 GLN 29 2HB GLN 29 -7.992 -1.564 3.122 198 HG2 GLN 29 1HG GLN 29 -5.344 -0.619 2.153 199 HG3 GLN 29 2HG GLN 29 -5.417 -2.028 3.211 200 HE21 GLN 29 1HE2 GLN 29 -4.585 -3.243 1.437 201 HE22 GLN 29 2HE2 GLN 29 -5.634 -3.771 0.171 202 H LEU 30 H LEU 30 -9.745 -0.778 1.907 203 HA LEU 30 HA LEU 30 -9.275 -1.393 -0.745 204 HB2 LEU 30 1HB LEU 30 -11.761 -0.988 0.859 205 HB3 LEU 30 2HB LEU 30 -11.882 -1.251 -0.880 206 HG LEU 30 HG LEU 30 -12.201 -3.368 0.029 207 HD11 LEU 30 1HD1 LEU 30 -10.478 -4.634 -0.848 208 HD12 LEU 30 2HD1 LEU 30 -9.235 -3.501 -0.320 209 HD13 LEU 30 3HD1 LEU 30 -10.276 -3.094 -1.683 210 HD21 LEU 30 1HD2 LEU 30 -11.557 -2.756 2.332 211 HD22 LEU 30 2HD2 LEU 30 -9.860 -2.903 1.874 212 HD23 LEU 30 3HD2 LEU 30 -10.910 -4.320 1.835 213 H LEU 31 H LEU 31 -11.093 1.401 0.520 214 HA LEU 31 HA LEU 31 -11.520 2.604 -1.997 215 HB2 LEU 31 1HB LEU 31 -12.940 3.306 -0.286 216 HB3 LEU 31 2HB LEU 31 -11.606 3.588 0.831 217 HG LEU 31 HG LEU 31 -10.956 5.570 -0.472 218 HD11 LEU 31 1HD1 LEU 31 -11.770 4.888 -2.654 219 HD12 LEU 31 2HD1 LEU 31 -12.475 6.436 -2.190 220 HD13 LEU 31 3HD1 LEU 31 -13.435 4.962 -2.076 221 HD21 LEU 31 1HD2 LEU 31 -12.443 5.825 1.436 222 HD22 LEU 31 2HD2 LEU 31 -13.843 5.538 0.403 223 HD23 LEU 31 3HD2 LEU 31 -12.855 6.980 0.169 224 H ASP 32 H ASP 32 -8.767 2.431 0.023 225 HA ASP 32 HA ASP 32 -7.500 4.823 -0.969 226 HB2 ASP 32 1HB ASP 32 -7.119 3.668 1.315 227 HB3 ASP 32 2HB ASP 32 -6.071 2.570 0.420 228 H MET 33 H MET 33 -7.165 1.331 -1.492 229 HA MET 33 HA MET 33 -5.068 1.620 -3.418 230 HB2 MET 33 1HB MET 33 -5.338 -0.769 -3.787 231 HB3 MET 33 2HB MET 33 -5.332 -0.420 -2.064 232 HG2 MET 33 1HG MET 33 -7.625 -0.811 -1.857 233 HG3 MET 33 2HG MET 33 -7.890 -0.692 -3.595 234 HE1 MET 33 1HE MET 33 -8.428 -4.262 -4.270 235 HE2 MET 33 2HE MET 33 -9.242 -2.749 -3.871 236 HE3 MET 33 3HE MET 33 -8.020 -2.785 -5.143 237 H HIS 34 H HIS 34 -8.549 1.496 -3.519 238 HA HIS 34 HA HIS 34 -8.907 0.867 -6.232 239 HB2 HIS 34 1HB HIS 34 -10.906 0.745 -5.124 240 HB3 HIS 34 2HB HIS 34 -10.552 2.139 -4.108 241 HD1 HIS 34 1HD HIS 34 -12.264 1.138 -7.214 242 HD2 HIS 34 2HD HIS 34 -11.096 4.665 -5.354 243 HE1 HIS 34 1HE HIS 34 -13.531 2.968 -8.386 244 H PHE 35 H PHE 35 -8.454 3.966 -4.587 245 HA PHE 35 HA PHE 35 -8.859 5.605 -6.846 246 HB2 PHE 35 1HB PHE 35 -8.901 6.437 -4.514 247 HB3 PHE 35 2HB PHE 35 -7.165 6.165 -4.403 248 HD1 PHE 35 2HD PHE 35 -5.791 7.320 -6.379 249 HD2 PHE 35 1HD PHE 35 -9.609 8.564 -4.968 250 HE1 PHE 35 2HE PHE 35 -5.380 9.577 -7.268 251 HE2 PHE 35 1HE PHE 35 -9.205 10.823 -5.855 252 HZ PHE 35 HZ PHE 35 -7.088 11.332 -7.006 253 H LYS 36 H LYS 36 -5.839 4.512 -5.302 254 HA LYS 36 HA LYS 36 -4.162 5.570 -7.338 255 HB2 LYS 36 1HB LYS 36 -3.791 3.742 -5.007 256 HB3 LYS 36 2HB LYS 36 -2.531 3.803 -6.232 257 HG2 LYS 36 1HG LYS 36 -3.584 6.296 -4.945 258 HG3 LYS 36 2HG LYS 36 -2.305 5.332 -4.201 259 HD2 LYS 36 1HD LYS 36 -2.155 6.354 -7.029 260 HD3 LYS 36 2HD LYS 36 -1.544 7.264 -5.646 261 HE2 LYS 36 1HE LYS 36 -0.293 5.015 -5.127 262 HE3 LYS 36 2HE LYS 36 -0.546 4.722 -6.847 263 HZ1 LYS 36 1HZ LYS 36 0.760 6.522 -7.430 264 HZ2 LYS 36 2HZ LYS 36 1.594 5.890 -6.101 265 HZ3 LYS 36 3HZ LYS 36 0.624 7.264 -5.915 266 H ARG 37 H ARG 37 -6.264 3.007 -7.389 267 HA ARG 37 HA ARG 37 -4.642 1.382 -9.203 268 HB2 ARG 37 1HB ARG 37 -5.750 0.057 -7.581 269 HB3 ARG 37 2HB ARG 37 -7.268 0.915 -7.805 270 HG2 ARG 37 1HG ARG 37 -7.730 -0.167 -9.810 271 HG3 ARG 37 2HG ARG 37 -6.051 -0.659 -10.039 272 HD2 ARG 37 1HD ARG 37 -6.225 -2.421 -8.588 273 HD3 ARG 37 2HD ARG 37 -7.492 -1.650 -7.636 274 HE ARG 37 HE ARG 37 -9.043 -2.659 -8.971 275 HH11 ARG 37 2HH1 ARG 37 -5.970 -2.682 -10.607 276 HH12 ARG 37 1HH1 ARG 37 -6.528 -3.666 -11.919 277 HH21 ARG 37 2HH2 ARG 37 -9.790 -3.956 -10.693 278 HH22 ARG 37 1HH2 ARG 37 -8.701 -4.390 -11.967 279 H TYR 38 H TYR 38 -8.005 2.580 -9.147 280 HA TYR 38 HA TYR 38 -8.277 2.349 -11.981 281 HB2 TYR 38 1HB TYR 38 -9.987 3.560 -9.819 282 HB3 TYR 38 2HB TYR 38 -10.421 3.689 -11.519 283 HD1 TYR 38 1HD TYR 38 -9.368 1.060 -9.074 284 HD2 TYR 38 2HD TYR 38 -11.861 2.100 -12.361 285 HE1 TYR 38 1HE TYR 38 -10.427 -1.157 -8.964 286 HE2 TYR 38 2HE TYR 38 -12.928 -0.113 -12.260 287 HH TYR 38 HH TYR 38 -12.447 -2.352 -11.437 288 H HIS 39 H HIS 39 -8.518 5.237 -9.898 289 HA HIS 39 HA HIS 39 -8.253 7.096 -11.973 290 HB2 HIS 39 1HB HIS 39 -7.543 7.418 -9.050 291 HB3 HIS 39 2HB HIS 39 -7.767 8.736 -10.196 292 HD1 HIS 39 1HD HIS 39 -10.347 8.192 -11.514 293 HD2 HIS 39 2HD HIS 39 -9.740 7.343 -7.492 294 HE1 HIS 39 1HE HIS 39 -12.641 8.129 -10.486 295 H ASP 40 H ASP 40 -5.961 5.009 -10.681 296 HA ASP 40 HA ASP 40 -3.827 6.427 -12.083 297 HB2 ASP 40 1HB ASP 40 -3.553 5.434 -9.237 298 HB3 ASP 40 2HB ASP 40 -2.252 6.097 -10.221 299 HA PRO 41 HA PRO 41 -3.464 2.188 -13.466 300 HB2 PRO 41 1HB PRO 41 -1.613 2.710 -15.382 301 HB3 PRO 41 2HB PRO 41 -3.336 3.043 -15.595 302 HG2 PRO 41 1HG PRO 41 -1.122 4.916 -14.849 303 HG3 PRO 41 2HG PRO 41 -2.462 5.163 -15.985 304 HD2 PRO 41 1HD PRO 41 -2.480 6.166 -13.470 305 HD3 PRO 41 2HD PRO 41 -3.961 5.655 -14.305 306 H ASN 42 H ASN 42 -1.313 4.089 -11.757 307 HA ASN 42 HA ASN 42 1.097 2.638 -12.015 308 HB2 ASN 42 1HB ASN 42 0.233 4.119 -9.533 309 HB3 ASN 42 2HB ASN 42 1.869 3.863 -10.132 310 HD21 ASN 42 1HD2 ASN 42 2.706 5.227 -11.630 311 HD22 ASN 42 2HD2 ASN 42 1.891 6.637 -12.207 312 H PHE 43 H PHE 43 -1.205 2.644 -9.286 313 HA PHE 43 HA PHE 43 -0.144 0.440 -7.960 314 HB2 PHE 43 1HB PHE 43 -1.842 2.073 -7.061 315 HB3 PHE 43 2HB PHE 43 -3.066 1.208 -7.986 316 HD1 PHE 43 1HD PHE 43 -3.029 -1.427 -7.579 317 HD2 PHE 43 2HD PHE 43 -1.588 1.512 -4.857 318 HE1 PHE 43 1HE PHE 43 -3.313 -3.014 -5.720 319 HE2 PHE 43 2HE PHE 43 -1.870 -0.071 -2.995 320 HZ PHE 43 HZ PHE 43 -2.732 -2.337 -3.425 321 H VAL 44 H VAL 44 -0.153 -1.676 -8.342 322 HA VAL 44 HA VAL 44 -2.216 -2.804 -10.101 323 HB VAL 44 HB VAL 44 -0.239 -2.459 -11.494 324 HG11 VAL 44 1HG1 VAL 44 1.876 -3.442 -11.034 325 HG12 VAL 44 2HG1 VAL 44 1.385 -2.573 -9.578 326 HG13 VAL 44 3HG1 VAL 44 1.234 -4.329 -9.652 327 HG21 VAL 44 1HG2 VAL 44 -1.726 -4.495 -11.712 328 HG22 VAL 44 2HG2 VAL 44 -0.122 -4.626 -12.432 329 HG23 VAL 44 3HG2 VAL 44 -0.457 -5.396 -10.882 330 HA PRO 45 HA PRO 45 -2.367 -5.594 -6.623 331 HB2 PRO 45 1HB PRO 45 -4.407 -7.105 -7.582 332 HB3 PRO 45 2HB PRO 45 -4.652 -5.514 -6.853 333 HG2 PRO 45 1HG PRO 45 -4.518 -6.271 -9.746 334 HG3 PRO 45 2HG PRO 45 -5.636 -5.163 -8.930 335 HD2 PRO 45 1HD PRO 45 -3.496 -4.294 -10.342 336 HD3 PRO 45 2HD PRO 45 -4.112 -3.434 -8.916 337 H ALA 46 H ALA 46 -1.148 -7.337 -6.275 338 HA ALA 46 HA ALA 46 -0.026 -8.806 -8.478 339 HB1 ALA 46 1HB ALA 46 0.769 -10.161 -6.252 340 HB2 ALA 46 2HB ALA 46 1.608 -8.772 -6.945 341 HB3 ALA 46 3HB ALA 46 0.481 -8.545 -5.607 342 H ALA 47 H ALA 47 -1.219 -10.293 -9.481 343 HA ALA 47 HA ALA 47 -2.949 -12.039 -7.859 344 HB1 ALA 47 1HB ALA 47 -3.141 -11.550 -10.826 345 HB2 ALA 47 2HB ALA 47 -4.304 -12.388 -9.798 346 HB3 ALA 47 3HB ALA 47 -4.055 -10.652 -9.614 347 H PHE 48 H PHE 48 -1.913 -13.871 -7.387 348 HA PHE 48 HA PHE 48 -0.606 -15.319 -9.586 349 HB2 PHE 48 1HB PHE 48 0.451 -15.055 -6.763 350 HB3 PHE 48 2HB PHE 48 1.136 -16.093 -8.010 351 HD1 PHE 48 2HD PHE 48 0.620 -12.616 -6.945 352 HD2 PHE 48 1HD PHE 48 2.498 -15.205 -9.754 353 HE1 PHE 48 2HE PHE 48 2.029 -10.752 -7.716 354 HE2 PHE 48 1HE PHE 48 3.911 -13.346 -10.528 355 HZ PHE 48 HZ PHE 48 3.677 -11.115 -9.510 356 H VAL 49 H VAL 49 -1.787 -17.078 -9.923 357 HA VAL 49 HA VAL 49 -2.871 -18.513 -7.586 358 HB VAL 49 HB VAL 49 -4.625 -17.588 -9.050 359 HG11 VAL 49 1HG1 VAL 49 -3.481 -17.586 -11.167 360 HG12 VAL 49 2HG1 VAL 49 -3.359 -19.346 -11.147 361 HG13 VAL 49 3HG1 VAL 49 -4.936 -18.573 -11.304 362 HG21 VAL 49 1HG2 VAL 49 -5.463 -19.416 -7.963 363 HG22 VAL 49 2HG2 VAL 49 -5.637 -19.957 -9.632 364 HG23 VAL 49 3HG2 VAL 49 -4.275 -20.516 -8.662 365 H CYS 50 H CYS 50 -2.573 -20.701 -7.429 366 HA CYS 50 HA CYS 50 -0.311 -21.829 -8.655 367 HB2 CYS 50 1HB CYS 50 -1.305 -22.513 -6.448 368 HB3 CYS 50 2HB CYS 50 -2.575 -23.341 -7.342 369 H SER 51 H SER 51 -0.186 -23.686 -10.059 370 HA SER 51 HA SER 51 -2.313 -23.653 -12.085 371 HB2 SER 51 1HB SER 51 -0.114 -23.043 -12.937 372 HB3 SER 51 2HB SER 51 0.579 -24.529 -12.286 373 HG SER 51 HG SER 51 -0.698 -25.702 -13.733 374 H LYS 52 H LYS 52 -0.811 -25.609 -9.710 375 HA LYS 52 HA LYS 52 -1.565 -28.141 -10.854 376 HB2 LYS 52 1HB LYS 52 -0.508 -27.334 -8.145 377 HB3 LYS 52 2HB LYS 52 -0.928 -28.995 -8.546 378 HG2 LYS 52 1HG LYS 52 0.764 -29.114 -10.204 379 HG3 LYS 52 2HG LYS 52 1.059 -27.376 -10.117 380 HD2 LYS 52 1HD LYS 52 1.613 -27.862 -7.624 381 HD3 LYS 52 2HD LYS 52 1.807 -29.528 -8.174 382 HE2 LYS 52 1HE LYS 52 3.285 -28.378 -10.030 383 HE3 LYS 52 2HE LYS 52 3.419 -27.106 -8.817 384 HZ1 LYS 52 1HZ LYS 52 5.006 -29.264 -8.936 385 HZ2 LYS 52 2HZ LYS 52 3.852 -29.780 -7.813 386 HZ3 LYS 52 3HZ LYS 52 4.731 -28.362 -7.531 387 H CYS 53 H CYS 53 -2.677 -26.195 -8.086 388 HA CYS 53 HA CYS 53 -5.130 -27.809 -8.010 389 HB2 CYS 53 1HB CYS 53 -5.474 -26.778 -5.769 390 HB3 CYS 53 2HB CYS 53 -3.983 -27.706 -5.884 391 H GLY 54 H GLY 54 -3.972 -24.459 -8.086 392 HA2 GLY 54 1HA GLY 54 -5.061 -22.845 -9.503 393 HA3 GLY 54 2HA GLY 54 -6.576 -23.692 -9.229 394 H LYS 55 H LYS 55 -4.445 -23.119 -6.560 395 HA LYS 55 HA LYS 55 -6.460 -21.573 -5.218 396 HB2 LYS 55 1HB LYS 55 -3.824 -22.750 -4.505 397 HB3 LYS 55 2HB LYS 55 -4.388 -21.394 -3.538 398 HG2 LYS 55 1HG LYS 55 -6.250 -22.562 -2.764 399 HG3 LYS 55 2HG LYS 55 -6.141 -23.768 -4.048 400 HD2 LYS 55 1HD LYS 55 -4.272 -24.804 -3.056 401 HD3 LYS 55 2HD LYS 55 -3.985 -23.436 -1.978 402 HE2 LYS 55 1HE LYS 55 -6.588 -24.868 -1.800 403 HE3 LYS 55 2HE LYS 55 -5.155 -25.647 -1.130 404 HZ1 LYS 55 1HZ LYS 55 -5.675 -22.850 -0.427 405 HZ2 LYS 55 2HZ LYS 55 -4.937 -24.071 0.482 406 HZ3 LYS 55 3HZ LYS 55 -6.620 -24.046 0.308 407 H THR 56 H THR 56 -6.454 -19.422 -4.723 408 HA THR 56 HA THR 56 -4.717 -17.744 -6.336 409 HB THR 56 HB THR 56 -6.165 -15.884 -5.294 410 HG1 THR 56 1HG THR 56 -8.132 -16.628 -4.418 411 HG21 THR 56 1HG2 THR 56 -6.952 -16.076 -7.380 412 HG22 THR 56 2HG2 THR 56 -8.210 -17.112 -6.707 413 HG23 THR 56 3HG2 THR 56 -6.743 -17.826 -7.375 414 H PHE 57 H PHE 57 -3.114 -16.469 -5.596 415 HA PHE 57 HA PHE 57 -2.698 -16.348 -2.682 416 HB2 PHE 57 1HB PHE 57 -0.683 -16.806 -4.880 417 HB3 PHE 57 2HB PHE 57 -0.214 -16.273 -3.269 418 HD1 PHE 57 1HD PHE 57 -2.442 -18.880 -4.750 419 HD2 PHE 57 2HD PHE 57 0.555 -17.920 -1.884 420 HE1 PHE 57 1HE PHE 57 -2.426 -21.220 -3.988 421 HE2 PHE 57 2HE PHE 57 0.576 -20.258 -1.118 422 HZ PHE 57 HZ PHE 57 -0.915 -21.912 -2.171 423 H THR 58 H THR 58 -1.156 -14.535 -2.075 424 HA THR 58 HA THR 58 -1.975 -12.125 -3.534 425 HB THR 58 HB THR 58 -1.087 -10.960 -1.425 426 HG1 THR 58 1HG THR 58 -0.011 -12.953 -0.687 427 HG21 THR 58 1HG2 THR 58 -3.553 -12.570 -1.736 428 HG22 THR 58 2HG2 THR 58 -3.356 -10.838 -1.466 429 HG23 THR 58 3HG2 THR 58 -3.202 -11.964 -0.118 430 H ARG 59 H ARG 59 0.850 -13.856 -2.358 431 HA ARG 59 HA ARG 59 2.551 -11.967 -3.851 432 HB2 ARG 59 1HB ARG 59 3.208 -13.550 -1.361 433 HB3 ARG 59 2HB ARG 59 4.380 -12.622 -2.287 434 HG2 ARG 59 1HG ARG 59 3.234 -10.570 -1.780 435 HG3 ARG 59 2HG ARG 59 1.933 -11.455 -0.980 436 HD2 ARG 59 1HD ARG 59 3.254 -10.720 0.788 437 HD3 ARG 59 2HD ARG 59 3.788 -12.382 0.542 438 HE ARG 59 HE ARG 59 5.480 -10.898 -0.993 439 HH11 ARG 59 2HH1 ARG 59 4.548 -10.865 2.361 440 HH12 ARG 59 1HH1 ARG 59 6.074 -10.258 2.914 441 HH21 ARG 59 2HH2 ARG 59 7.494 -10.099 -0.277 442 HH22 ARG 59 1HH2 ARG 59 7.748 -9.822 1.412 443 H ARG 60 H ARG 60 4.236 -12.813 -5.092 444 HA ARG 60 HA ARG 60 3.720 -15.305 -6.321 445 HB2 ARG 60 1HB ARG 60 4.774 -13.574 -7.600 446 HB3 ARG 60 2HB ARG 60 6.096 -13.450 -6.448 447 HG2 ARG 60 1HG ARG 60 7.124 -15.355 -7.210 448 HG3 ARG 60 2HG ARG 60 5.625 -16.039 -7.841 449 HD2 ARG 60 1HD ARG 60 6.694 -15.428 -9.784 450 HD3 ARG 60 2HD ARG 60 5.715 -13.997 -9.463 451 HE ARG 60 HE ARG 60 7.648 -12.815 -9.275 452 HH11 ARG 60 2HH1 ARG 60 8.344 -16.162 -8.619 453 HH12 ARG 60 1HH1 ARG 60 10.049 -15.909 -8.445 454 HH21 ARG 60 2HH2 ARG 60 9.891 -12.468 -9.049 455 HH22 ARG 60 1HH2 ARG 60 10.928 -13.807 -8.689 456 H ASN 61 H ASN 61 6.604 -14.296 -4.472 457 HA ASN 61 HA ASN 61 7.918 -16.649 -4.232 458 HB2 ASN 61 1HB ASN 61 7.502 -14.591 -2.053 459 HB3 ASN 61 2HB ASN 61 8.726 -15.856 -2.008 460 HD21 ASN 61 1HD2 ASN 61 10.655 -15.324 -2.719 461 HD22 ASN 61 2HD2 ASN 61 11.022 -14.023 -3.795 462 H THR 62 H THR 62 5.035 -15.692 -2.461 463 HA THR 62 HA THR 62 5.031 -17.911 -0.675 464 HB THR 62 HB THR 62 2.680 -16.206 -1.519 465 HG1 THR 62 1HG THR 62 4.089 -15.804 0.876 466 HG21 THR 62 1HG2 THR 62 3.148 -17.896 0.942 467 HG22 THR 62 2HG2 THR 62 2.032 -18.264 -0.374 468 HG23 THR 62 3HG2 THR 62 1.749 -16.861 0.657 469 H MET 63 H MET 63 3.468 -17.245 -3.779 470 HA MET 63 HA MET 63 1.949 -19.653 -3.825 471 HB2 MET 63 1HB MET 63 1.715 -17.406 -5.200 472 HB3 MET 63 2HB MET 63 2.740 -18.260 -6.345 473 HG2 MET 63 1HG MET 63 0.965 -20.166 -6.014 474 HG3 MET 63 2HG MET 63 -0.056 -18.821 -5.513 475 HE1 MET 63 1HE MET 63 2.603 -19.786 -7.975 476 HE2 MET 63 2HE MET 63 1.970 -19.367 -9.567 477 HE3 MET 63 3HE MET 63 2.683 -18.118 -8.544 478 H ALA 64 H ALA 64 4.909 -18.643 -5.534 479 HA ALA 64 HA ALA 64 5.456 -20.928 -6.950 480 HB1 ALA 64 1HB ALA 64 7.232 -19.720 -7.496 481 HB2 ALA 64 2HB ALA 64 6.883 -18.604 -6.175 482 HB3 ALA 64 3HB ALA 64 7.925 -20.000 -5.899 483 H ARG 65 H ARG 65 6.333 -20.239 -3.576 484 HA ARG 65 HA ARG 65 7.724 -22.638 -3.103 485 HB2 ARG 65 1HB ARG 65 6.257 -20.802 -1.204 486 HB3 ARG 65 2HB ARG 65 7.280 -22.135 -0.687 487 HG2 ARG 65 1HG ARG 65 9.224 -21.104 -1.553 488 HG3 ARG 65 2HG ARG 65 8.276 -19.898 -2.427 489 HD2 ARG 65 1HD ARG 65 7.680 -18.778 -0.452 490 HD3 ARG 65 2HD ARG 65 8.158 -20.138 0.563 491 HE ARG 65 HE ARG 65 10.448 -19.322 -0.731 492 HH11 ARG 65 2HH1 ARG 65 8.120 -17.905 1.435 493 HH12 ARG 65 1HH1 ARG 65 9.259 -16.817 2.157 494 HH21 ARG 65 2HH2 ARG 65 11.958 -17.895 0.212 495 HH22 ARG 65 1HH2 ARG 65 11.441 -16.812 1.460 496 H HIS 66 H HIS 66 4.322 -21.763 -2.695 497 HA HIS 66 HA HIS 66 3.500 -24.152 -1.443 498 HB2 HIS 66 1HB HIS 66 1.927 -22.471 -1.234 499 HB3 HIS 66 2HB HIS 66 2.114 -21.943 -2.904 500 HD1 HIS 66 1HD HIS 66 0.379 -24.538 -0.812 501 HD2 HIS 66 2HD HIS 66 0.418 -23.157 -4.730 502 HE1 HIS 66 1HE HIS 66 -1.600 -25.618 -1.926 503 H ALA 67 H ALA 67 3.474 -23.153 -4.852 504 HA ALA 67 HA ALA 67 2.274 -25.427 -5.927 505 HB1 ALA 67 1HB ALA 67 4.097 -24.612 -7.849 506 HB2 ALA 67 2HB ALA 67 2.435 -24.051 -7.668 507 HB3 ALA 67 3HB ALA 67 3.756 -23.150 -6.924 508 H ASP 68 H ASP 68 5.633 -24.800 -5.071 509 HA ASP 68 HA ASP 68 6.837 -26.995 -6.295 510 HB2 ASP 68 1HB ASP 68 8.213 -25.273 -5.358 511 HB3 ASP 68 2HB ASP 68 7.536 -25.525 -3.751 512 H ASN 69 H ASN 69 5.637 -26.721 -2.948 513 HA ASN 69 HA ASN 69 5.932 -29.574 -2.548 514 HB2 ASN 69 1HB ASN 69 4.958 -27.328 -0.781 515 HB3 ASN 69 2HB ASN 69 4.920 -29.016 -0.279 516 HD21 ASN 69 1HD2 ASN 69 6.746 -26.211 -0.435 517 HD22 ASN 69 2HD2 ASN 69 8.279 -26.877 0.006 518 H CYS 70 H CYS 70 3.740 -27.814 -4.157 519 HA CYS 70 HA CYS 70 1.303 -28.962 -3.137 520 HB2 CYS 70 1HB CYS 70 1.267 -26.747 -4.163 521 HB3 CYS 70 2HB CYS 70 1.860 -27.418 -5.679 522 H ALA 71 H ALA 71 -0.038 -30.455 -4.224 523 HA ALA 71 HA ALA 71 1.363 -32.136 -6.201 524 HB1 ALA 71 1HB ALA 71 -0.110 -34.001 -5.180 525 HB2 ALA 71 2HB ALA 71 1.339 -33.485 -4.317 526 HB3 ALA 71 3HB ALA 71 -0.246 -32.911 -3.800 527 H GLY 72 H GLY 72 -1.539 -30.490 -5.292 528 HA2 GLY 72 1HA GLY 72 -2.672 -30.148 -7.701 529 HA3 GLY 72 2HA GLY 72 -3.167 -31.789 -7.312 530 HA PRO 73 HA PRO 73 -6.397 -28.934 -5.652 531 HB2 PRO 73 1HB PRO 73 -8.487 -30.455 -6.482 532 HB3 PRO 73 2HB PRO 73 -7.705 -29.252 -7.514 533 HG2 PRO 73 1HG PRO 73 -7.321 -32.220 -7.437 534 HG3 PRO 73 2HG PRO 73 -7.461 -31.146 -8.841 535 HD2 PRO 73 1HD PRO 73 -5.078 -32.066 -7.942 536 HD3 PRO 73 2HD PRO 73 -5.261 -30.473 -8.703 537 H ASP 74 H ASP 74 -5.447 -32.179 -5.184 538 HA ASP 74 HA ASP 74 -7.366 -32.766 -3.106 539 HB2 ASP 74 1HB ASP 74 -4.948 -34.220 -4.171 540 HB3 ASP 74 2HB ASP 74 -5.851 -34.798 -2.773 541 H GLY 75 H GLY 75 -7.206 -31.765 -1.208 542 HA2 GLY 75 1HA GLY 75 -4.858 -32.027 0.393 543 HA3 GLY 75 2HA GLY 75 -5.045 -30.382 -0.197 544 H VAL 76 H VAL 76 -5.365 -31.922 2.494 545 HA VAL 76 HA VAL 76 -7.293 -30.169 3.596 546 HB VAL 76 HB VAL 76 -8.790 -31.827 2.422 547 HG11 VAL 76 1HG1 VAL 76 -7.343 -33.801 2.949 548 HG12 VAL 76 2HG1 VAL 76 -7.919 -33.700 4.615 549 HG13 VAL 76 3HG1 VAL 76 -9.055 -34.027 3.306 550 HG21 VAL 76 1HG2 VAL 76 -9.100 -30.514 4.782 551 HG22 VAL 76 2HG2 VAL 76 -10.377 -31.408 3.957 552 HG23 VAL 76 3HG2 VAL 76 -9.463 -32.174 5.256 553 H GLU 77 H GLU 77 -7.457 -30.347 5.885 554 HA GLU 77 HA GLU 77 -6.686 -30.768 7.984 555 HB2 GLU 77 1HB GLU 77 -7.226 -33.193 7.062 556 HB3 GLU 77 2HB GLU 77 -5.480 -33.368 7.152 557 HG2 GLU 77 1HG GLU 77 -6.536 -34.201 9.164 558 HG3 GLU 77 2HG GLU 77 -5.534 -32.796 9.520 559 H GLY 78 H GLY 78 -5.102 -29.151 6.533 560 HA2 GLY 78 1HA GLY 78 -2.489 -29.765 6.008 561 HA3 GLY 78 2HA GLY 78 -3.001 -28.216 6.660 562 H GLU 79 H GLU 79 -3.020 -27.932 8.962 563 HA GLU 79 HA GLU 79 -2.000 -29.899 10.735 564 HB2 GLU 79 1HB GLU 79 0.175 -28.901 11.223 565 HB3 GLU 79 2HB GLU 79 0.089 -29.417 9.544 566 HG2 GLU 79 1HG GLU 79 -0.470 -27.042 8.952 567 HG3 GLU 79 2HG GLU 79 -0.083 -26.617 10.618 568 H ASN 80 H ASN 80 -1.429 -28.891 12.905 569 HA ASN 80 HA ASN 80 -3.306 -26.689 13.399 570 HB2 ASN 80 1HB ASN 80 -3.040 -27.473 15.828 571 HB3 ASN 80 2HB ASN 80 -3.909 -28.539 14.728 572 HD21 ASN 80 1HD2 ASN 80 -3.367 -30.585 14.833 573 HD22 ASN 80 2HD2 ASN 80 -1.843 -31.214 15.350 574 H SER 81 H SER 81 -2.604 -25.459 15.540 575 HA SER 81 HA SER 81 -0.604 -23.712 14.936 576 HB2 SER 81 1HB SER 81 -1.795 -24.574 17.547 577 HB3 SER 81 2HB SER 81 -0.430 -23.457 17.548 578 HG SER 81 HG SER 81 -3.047 -23.072 16.711 579 H GLY 82 H GLY 82 -0.228 -26.401 17.259 580 HA2 GLY 82 1HA GLY 82 1.598 -27.720 17.734 581 HA3 GLY 82 2HA GLY 82 2.326 -27.141 16.243 582 HA PRO 83 HA PRO 83 4.023 -25.051 20.255 583 HB2 PRO 83 1HB PRO 83 5.863 -26.856 21.108 584 HB3 PRO 83 2HB PRO 83 4.198 -26.829 21.701 585 HG2 PRO 83 1HG PRO 83 5.436 -28.576 19.609 586 HG3 PRO 83 2HG PRO 83 4.311 -29.012 20.908 587 HD2 PRO 83 1HD PRO 83 3.508 -28.643 18.349 588 HD3 PRO 83 2HD PRO 83 2.472 -28.260 19.739 589 H SER 84 H SER 84 6.534 -24.770 20.691 590 HA SER 84 HA SER 84 7.946 -24.819 18.109 591 HB2 SER 84 1HB SER 84 6.932 -22.532 18.915 592 HB3 SER 84 2HB SER 84 8.327 -22.520 19.994 593 HG SER 84 HG SER 84 8.202 -22.044 17.322 594 H SER 85 H SER 85 10.334 -24.404 18.395 595 HA SER 85 HA SER 85 11.409 -25.191 20.981 596 HB2 SER 85 1HB SER 85 10.868 -27.253 19.437 597 HB3 SER 85 2HB SER 85 12.352 -26.769 18.616 598 HG SER 85 HG SER 85 11.984 -27.841 21.151 599 H GLY 86 H GLY 86 13.928 -25.381 20.735 600 HA2 GLY 86 1HA GLY 86 14.781 -23.086 19.081 601 HA3 GLY 86 2HA GLY 86 15.468 -23.473 20.652 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -3.245 -14.131 17.569 2 HA2 GLY 1 1HA GLY 1 -2.716 -16.348 15.693 3 HA3 GLY 1 2HA GLY 1 -4.100 -16.383 16.775 4 H SER 2 H SER 2 -4.503 -16.653 14.097 5 HA SER 2 HA SER 2 -6.308 -14.523 13.559 6 HB2 SER 2 1HB SER 2 -5.293 -13.545 11.621 7 HB3 SER 2 2HB SER 2 -4.090 -13.498 12.909 8 HG SER 2 HG SER 2 -3.600 -14.383 10.619 9 H SER 3 H SER 3 -7.967 -15.673 12.841 10 HA SER 3 HA SER 3 -7.525 -17.567 10.647 11 HB2 SER 3 1HB SER 3 -7.735 -18.684 12.978 12 HB3 SER 3 2HB SER 3 -9.440 -18.249 12.865 13 HG SER 3 HG SER 3 -8.343 -20.368 11.875 14 H GLY 4 H GLY 4 -9.491 -18.071 9.437 15 HA2 GLY 4 1HA GLY 4 -11.615 -16.053 9.765 16 HA3 GLY 4 2HA GLY 4 -10.852 -16.287 8.200 17 H SER 5 H SER 5 -13.339 -17.262 10.264 18 HA SER 5 HA SER 5 -13.951 -19.542 8.498 19 HB2 SER 5 1HB SER 5 -15.039 -20.650 10.389 20 HB3 SER 5 2HB SER 5 -13.358 -20.289 10.780 21 HG SER 5 HG SER 5 -15.690 -18.946 11.654 22 H SER 6 H SER 6 -15.180 -18.204 7.126 23 HA SER 6 HA SER 6 -17.901 -17.831 8.009 24 HB2 SER 6 1HB SER 6 -18.008 -15.444 7.363 25 HB3 SER 6 2HB SER 6 -16.924 -15.710 8.728 26 HG SER 6 HG SER 6 -15.194 -15.727 7.144 27 H GLY 7 H GLY 7 -19.232 -16.853 6.126 28 HA2 GLY 7 1HA GLY 7 -18.625 -18.445 3.793 29 HA3 GLY 7 2HA GLY 7 -20.068 -17.474 4.051 30 H ARG 8 H ARG 8 -18.531 -17.655 1.635 31 HA ARG 8 HA ARG 8 -16.707 -15.673 1.143 32 HB2 ARG 8 1HB ARG 8 -18.915 -16.785 -0.572 33 HB3 ARG 8 2HB ARG 8 -17.800 -15.570 -1.184 34 HG2 ARG 8 1HG ARG 8 -15.988 -17.257 -0.309 35 HG3 ARG 8 2HG ARG 8 -17.309 -18.415 -0.478 36 HD2 ARG 8 1HD ARG 8 -16.696 -16.537 -2.717 37 HD3 ARG 8 2HD ARG 8 -15.681 -17.958 -2.474 38 HE ARG 8 HE ARG 8 -18.403 -17.905 -3.430 39 HH11 ARG 8 2HH1 ARG 8 -15.871 -19.823 -2.005 40 HH12 ARG 8 1HH1 ARG 8 -16.532 -21.332 -2.544 41 HH21 ARG 8 2HH2 ARG 8 -19.283 -19.884 -4.144 42 HH22 ARG 8 1HH2 ARG 8 -18.472 -21.365 -3.761 43 H THR 9 H THR 9 -20.248 -15.350 0.909 44 HA THR 9 HA THR 9 -20.392 -12.681 0.207 45 HB THR 9 HB THR 9 -22.626 -12.659 1.331 46 HG1 THR 9 1HG THR 9 -21.728 -14.351 2.931 47 HG21 THR 9 1HG2 THR 9 -22.039 -15.094 -0.358 48 HG22 THR 9 2HG2 THR 9 -22.386 -13.474 -0.963 49 HG23 THR 9 3HG2 THR 9 -23.629 -14.379 -0.099 50 H HIS 10 H HIS 10 -20.936 -10.791 1.487 51 HA HIS 10 HA HIS 10 -19.779 -10.865 4.196 52 HB2 HIS 10 1HB HIS 10 -19.298 -8.962 1.939 53 HB3 HIS 10 2HB HIS 10 -19.215 -8.362 3.592 54 HD1 HIS 10 1HD HIS 10 -16.683 -7.949 3.462 55 HD2 HIS 10 2HD HIS 10 -17.778 -11.897 2.774 56 HE1 HIS 10 1HE HIS 10 -14.543 -9.266 3.555 57 H THR 11 H THR 11 -20.453 -8.893 5.503 58 HA THR 11 HA THR 11 -23.162 -7.990 4.839 59 HB THR 11 HB THR 11 -23.372 -9.965 6.334 60 HG1 THR 11 1HG THR 11 -25.070 -8.702 6.685 61 HG21 THR 11 1HG2 THR 11 -22.765 -9.218 8.828 62 HG22 THR 11 2HG2 THR 11 -21.495 -8.349 7.965 63 HG23 THR 11 3HG2 THR 11 -21.636 -10.099 7.800 64 H GLY 12 H GLY 12 -23.871 -6.143 6.149 65 HA2 GLY 12 1HA GLY 12 -23.260 -4.433 7.785 66 HA3 GLY 12 2HA GLY 12 -21.597 -4.611 7.246 67 H GLU 13 H GLU 13 -21.638 -2.287 6.963 68 HA GLU 13 HA GLU 13 -22.701 -1.570 4.324 69 HB2 GLU 13 1HB GLU 13 -23.523 0.543 5.086 70 HB3 GLU 13 2HB GLU 13 -24.211 -0.698 6.123 71 HG2 GLU 13 1HG GLU 13 -22.253 -0.173 7.700 72 HG3 GLU 13 2HG GLU 13 -22.074 1.299 6.748 73 H LYS 14 H LYS 14 -21.539 0.063 3.228 74 HA LYS 14 HA LYS 14 -18.815 0.457 4.270 75 HB2 LYS 14 1HB LYS 14 -19.859 0.361 1.438 76 HB3 LYS 14 2HB LYS 14 -18.224 0.862 1.850 77 HG2 LYS 14 1HG LYS 14 -17.620 -1.271 2.567 78 HG3 LYS 14 2HG LYS 14 -19.299 -1.793 2.726 79 HD2 LYS 14 1HD LYS 14 -19.575 -1.986 0.405 80 HD3 LYS 14 2HD LYS 14 -18.139 -1.017 0.067 81 HE2 LYS 14 1HE LYS 14 -16.709 -2.759 0.440 82 HE3 LYS 14 2HE LYS 14 -17.786 -3.537 1.599 83 HZ1 LYS 14 1HZ LYS 14 -18.785 -4.713 -0.001 84 HZ2 LYS 14 2HZ LYS 14 -17.411 -4.367 -0.924 85 HZ3 LYS 14 3HZ LYS 14 -18.806 -3.427 -1.100 86 HA PRO 15 HA PRO 15 -20.376 4.694 4.592 87 HB2 PRO 15 1HB PRO 15 -18.398 5.519 6.258 88 HB3 PRO 15 2HB PRO 15 -19.819 4.632 6.820 89 HG2 PRO 15 1HG PRO 15 -17.063 3.620 6.238 90 HG3 PRO 15 2HG PRO 15 -18.134 3.230 7.597 91 HD2 PRO 15 1HD PRO 15 -17.838 1.595 5.459 92 HD3 PRO 15 2HD PRO 15 -19.363 1.724 6.359 93 H TYR 16 H TYR 16 -17.116 3.576 3.860 94 HA TYR 16 HA TYR 16 -16.214 6.096 2.839 95 HB2 TYR 16 1HB TYR 16 -15.055 3.336 2.400 96 HB3 TYR 16 2HB TYR 16 -14.239 4.868 2.106 97 HD1 TYR 16 2HD TYR 16 -15.609 2.673 4.749 98 HD2 TYR 16 1HD TYR 16 -13.161 6.038 3.864 99 HE1 TYR 16 2HE TYR 16 -14.767 2.661 7.060 100 HE2 TYR 16 1HE TYR 16 -12.310 6.034 6.172 101 HH TYR 16 HH TYR 16 -12.167 3.891 8.075 102 H ALA 17 H ALA 17 -17.433 6.857 1.184 103 HA ALA 17 HA ALA 17 -17.808 5.105 -1.153 104 HB1 ALA 17 1HB ALA 17 -19.942 5.737 -0.802 105 HB2 ALA 17 2HB ALA 17 -19.479 7.185 0.093 106 HB3 ALA 17 3HB ALA 17 -19.440 7.187 -1.670 107 H CYS 18 H CYS 18 -16.413 5.446 -2.743 108 HA CYS 18 HA CYS 18 -14.608 7.543 -2.926 109 HB2 CYS 18 1HB CYS 18 -14.582 5.302 -4.154 110 HB3 CYS 18 2HB CYS 18 -15.659 6.052 -5.327 111 H SER 19 H SER 19 -14.498 9.418 -4.170 112 HA SER 19 HA SER 19 -17.050 10.705 -4.613 113 HB2 SER 19 1HB SER 19 -14.190 11.607 -4.598 114 HB3 SER 19 2HB SER 19 -15.421 12.630 -5.337 115 HG SER 19 HG SER 19 -15.197 13.172 -3.165 116 H HIS 20 H HIS 20 -14.143 10.103 -6.589 117 HA HIS 20 HA HIS 20 -15.036 11.025 -9.017 118 HB2 HIS 20 1HB HIS 20 -13.118 8.891 -8.203 119 HB3 HIS 20 2HB HIS 20 -13.583 8.979 -9.900 120 HD1 HIS 20 1HD HIS 20 -12.760 11.773 -7.448 121 HD2 HIS 20 2HD HIS 20 -11.521 10.243 -11.107 122 HE1 HIS 20 1HE HIS 20 -10.975 13.345 -8.265 123 H CYS 21 H CYS 21 -15.650 7.879 -7.526 124 HA CYS 21 HA CYS 21 -17.701 7.396 -9.586 125 HB2 CYS 21 1HB CYS 21 -17.259 5.004 -9.414 126 HB3 CYS 21 2HB CYS 21 -15.785 5.863 -9.852 127 H ASP 22 H ASP 22 -19.152 5.442 -8.667 128 HA ASP 22 HA ASP 22 -20.156 6.428 -6.090 129 HB2 ASP 22 1HB ASP 22 -21.689 6.447 -8.072 130 HB3 ASP 22 2HB ASP 22 -21.586 4.688 -8.108 131 H LYS 23 H LYS 23 -17.895 4.626 -6.288 132 HA LYS 23 HA LYS 23 -18.902 2.029 -5.467 133 HB2 LYS 23 1HB LYS 23 -16.115 3.135 -5.816 134 HB3 LYS 23 2HB LYS 23 -16.435 1.515 -5.210 135 HG2 LYS 23 1HG LYS 23 -17.760 2.229 -7.744 136 HG3 LYS 23 2HG LYS 23 -16.001 2.083 -7.794 137 HD2 LYS 23 1HD LYS 23 -16.594 -0.087 -8.220 138 HD3 LYS 23 2HD LYS 23 -16.490 -0.139 -6.459 139 HE2 LYS 23 1HE LYS 23 -18.515 -1.235 -7.157 140 HE3 LYS 23 2HE LYS 23 -18.931 0.277 -6.351 141 HZ1 LYS 23 1HZ LYS 23 -18.796 1.103 -8.865 142 HZ2 LYS 23 2HZ LYS 23 -20.221 0.518 -8.165 143 HZ3 LYS 23 3HZ LYS 23 -19.275 -0.498 -9.132 144 H THR 24 H THR 24 -18.241 1.033 -3.449 145 HA THR 24 HA THR 24 -17.628 2.939 -1.298 146 HB THR 24 HB THR 24 -19.288 1.871 0.169 147 HG1 THR 24 1HG THR 24 -20.505 0.641 -2.045 148 HG21 THR 24 1HG2 THR 24 -20.958 3.240 -0.509 149 HG22 THR 24 2HG2 THR 24 -20.974 2.582 -2.145 150 HG23 THR 24 3HG2 THR 24 -19.761 3.776 -1.687 151 H PHE 25 H PHE 25 -16.817 1.931 0.662 152 HA PHE 25 HA PHE 25 -15.953 -0.835 0.475 153 HB2 PHE 25 1HB PHE 25 -13.877 1.300 0.945 154 HB3 PHE 25 2HB PHE 25 -13.621 -0.417 0.652 155 HD1 PHE 25 1HD PHE 25 -14.858 2.694 -0.947 156 HD2 PHE 25 2HD PHE 25 -13.246 -1.206 -1.504 157 HE1 PHE 25 1HE PHE 25 -14.594 3.150 -3.350 158 HE2 PHE 25 2HE PHE 25 -12.978 -0.756 -3.908 159 HZ PHE 25 HZ PHE 25 -13.651 1.425 -4.834 160 H ARG 26 H ARG 26 -14.981 -1.612 2.493 161 HA ARG 26 HA ARG 26 -16.392 -0.562 4.759 162 HB2 ARG 26 1HB ARG 26 -15.785 -3.033 4.193 163 HB3 ARG 26 2HB ARG 26 -14.245 -2.648 4.948 164 HG2 ARG 26 1HG ARG 26 -15.474 -1.963 6.990 165 HG3 ARG 26 2HG ARG 26 -16.966 -2.511 6.224 166 HD2 ARG 26 1HD ARG 26 -14.564 -4.282 6.613 167 HD3 ARG 26 2HD ARG 26 -15.864 -4.149 7.797 168 HE ARG 26 HE ARG 26 -15.907 -5.654 5.392 169 HH11 ARG 26 2HH1 ARG 26 -17.915 -3.716 7.474 170 HH12 ARG 26 1HH1 ARG 26 -19.383 -4.517 7.020 171 HH21 ARG 26 2HH2 ARG 26 -17.833 -6.715 4.787 172 HH22 ARG 26 1HH2 ARG 26 -19.335 -6.223 5.492 173 H GLN 27 H GLN 27 -12.921 -1.136 4.147 174 HA GLN 27 HA GLN 27 -12.295 0.877 6.184 175 HB2 GLN 27 1HB GLN 27 -10.556 -1.214 4.867 176 HB3 GLN 27 2HB GLN 27 -9.987 -0.050 6.056 177 HG2 GLN 27 1HG GLN 27 -11.400 -0.996 7.745 178 HG3 GLN 27 2HG GLN 27 -12.160 -2.065 6.568 179 HE21 GLN 27 1HE2 GLN 27 -10.653 -2.614 9.056 180 HE22 GLN 27 2HE2 GLN 27 -9.391 -3.700 8.593 181 H LYS 28 H LYS 28 -11.094 2.684 5.748 182 HA LYS 28 HA LYS 28 -11.309 3.951 3.324 183 HB2 LYS 28 1HB LYS 28 -10.726 5.203 5.281 184 HB3 LYS 28 2HB LYS 28 -9.237 4.290 5.493 185 HG2 LYS 28 1HG LYS 28 -8.312 5.276 3.484 186 HG3 LYS 28 2HG LYS 28 -9.823 6.138 3.187 187 HD2 LYS 28 1HD LYS 28 -9.501 7.571 4.997 188 HD3 LYS 28 2HD LYS 28 -8.329 6.495 5.762 189 HE2 LYS 28 1HE LYS 28 -6.721 6.982 3.990 190 HE3 LYS 28 2HE LYS 28 -7.895 8.036 3.204 191 HZ1 LYS 28 1HZ LYS 28 -6.339 8.482 5.645 192 HZ2 LYS 28 2HZ LYS 28 -7.874 9.185 5.540 193 HZ3 LYS 28 3HZ LYS 28 -6.696 9.552 4.383 194 H GLN 29 H GLN 29 -8.686 1.879 4.462 195 HA GLN 29 HA GLN 29 -6.759 2.281 2.567 196 HB2 GLN 29 1HB GLN 29 -6.654 0.688 4.506 197 HB3 GLN 29 2HB GLN 29 -7.598 -0.448 3.551 198 HG2 GLN 29 1HG GLN 29 -5.823 -0.468 1.854 199 HG3 GLN 29 2HG GLN 29 -4.872 0.623 2.860 200 HE21 GLN 29 1HE2 GLN 29 -3.769 -1.712 2.122 201 HE22 GLN 29 2HE2 GLN 29 -3.671 -2.795 3.465 202 H LEU 30 H LEU 30 -9.580 0.138 2.275 203 HA LEU 30 HA LEU 30 -9.032 -0.856 -0.277 204 HB2 LEU 30 1HB LEU 30 -11.530 -0.490 1.320 205 HB3 LEU 30 2HB LEU 30 -11.635 -1.019 -0.358 206 HG LEU 30 HG LEU 30 -11.745 -2.950 1.038 207 HD11 LEU 30 1HD1 LEU 30 -10.263 -2.933 -1.047 208 HD12 LEU 30 2HD1 LEU 30 -10.059 -4.261 0.095 209 HD13 LEU 30 3HD1 LEU 30 -8.904 -2.928 0.078 210 HD21 LEU 30 1HD2 LEU 30 -9.800 -3.498 2.550 211 HD22 LEU 30 2HD2 LEU 30 -10.850 -2.189 3.092 212 HD23 LEU 30 3HD2 LEU 30 -9.289 -1.821 2.358 213 H LEU 31 H LEU 31 -11.116 1.881 0.656 214 HA LEU 31 HA LEU 31 -11.728 2.679 -1.976 215 HB2 LEU 31 1HB LEU 31 -13.145 3.468 -0.288 216 HB3 LEU 31 2HB LEU 31 -11.799 4.068 0.680 217 HG LEU 31 HG LEU 31 -11.454 5.886 -0.913 218 HD11 LEU 31 1HD1 LEU 31 -13.069 6.280 -2.708 219 HD12 LEU 31 2HD1 LEU 31 -13.854 4.745 -2.337 220 HD13 LEU 31 3HD1 LEU 31 -12.197 4.764 -2.939 221 HD21 LEU 31 1HD2 LEU 31 -12.933 6.279 0.962 222 HD22 LEU 31 2HD2 LEU 31 -14.297 5.620 0.059 223 HD23 LEU 31 3HD2 LEU 31 -13.536 7.123 -0.464 224 H ASP 32 H ASP 32 -8.949 3.164 0.007 225 HA ASP 32 HA ASP 32 -7.948 5.448 -1.421 226 HB2 ASP 32 1HB ASP 32 -7.418 4.679 1.014 227 HB3 ASP 32 2HB ASP 32 -6.229 3.634 0.241 228 H MET 33 H MET 33 -7.121 1.990 -1.308 229 HA MET 33 HA MET 33 -5.145 2.180 -3.353 230 HB2 MET 33 1HB MET 33 -5.096 -0.240 -3.282 231 HB3 MET 33 2HB MET 33 -5.159 0.392 -1.642 232 HG2 MET 33 1HG MET 33 -7.307 -0.344 -1.293 233 HG3 MET 33 2HG MET 33 -7.691 -0.369 -3.012 234 HE1 MET 33 1HE MET 33 -8.941 -2.346 -2.429 235 HE2 MET 33 2HE MET 33 -8.231 -3.134 -3.838 236 HE3 MET 33 3HE MET 33 -8.296 -3.982 -2.292 237 H HIS 34 H HIS 34 -8.583 1.752 -3.319 238 HA HIS 34 HA HIS 34 -8.911 0.573 -5.861 239 HB2 HIS 34 1HB HIS 34 -10.864 0.431 -4.674 240 HB3 HIS 34 2HB HIS 34 -10.657 2.016 -3.936 241 HD1 HIS 34 1HD HIS 34 -12.269 0.289 -6.770 242 HD2 HIS 34 2HD HIS 34 -11.530 4.197 -5.569 243 HE1 HIS 34 1HE HIS 34 -13.761 1.725 -8.198 244 H PHE 35 H PHE 35 -8.927 3.961 -4.803 245 HA PHE 35 HA PHE 35 -9.484 5.089 -7.319 246 HB2 PHE 35 1HB PHE 35 -9.677 6.305 -5.161 247 HB3 PHE 35 2HB PHE 35 -7.920 6.322 -5.042 248 HD1 PHE 35 2HD PHE 35 -6.689 7.348 -7.132 249 HD2 PHE 35 1HD PHE 35 -10.737 8.126 -6.070 250 HE1 PHE 35 2HE PHE 35 -6.622 9.441 -8.423 251 HE2 PHE 35 1HE PHE 35 -10.677 10.219 -7.361 252 HZ PHE 35 HZ PHE 35 -8.617 10.880 -8.539 253 H LYS 36 H LYS 36 -6.368 4.790 -5.610 254 HA LYS 36 HA LYS 36 -4.796 5.689 -7.772 255 HB2 LYS 36 1HB LYS 36 -4.195 4.128 -5.275 256 HB3 LYS 36 2HB LYS 36 -2.943 4.428 -6.474 257 HG2 LYS 36 1HG LYS 36 -3.690 6.912 -6.223 258 HG3 LYS 36 2HG LYS 36 -4.356 6.351 -4.687 259 HD2 LYS 36 1HD LYS 36 -2.225 7.028 -4.085 260 HD3 LYS 36 2HD LYS 36 -2.007 5.296 -4.347 261 HE2 LYS 36 1HE LYS 36 -1.021 5.656 -6.475 262 HE3 LYS 36 2HE LYS 36 -1.500 7.353 -6.486 263 HZ1 LYS 36 1HZ LYS 36 0.922 6.478 -5.767 264 HZ2 LYS 36 2HZ LYS 36 0.168 6.565 -4.256 265 HZ3 LYS 36 3HZ LYS 36 0.252 7.939 -5.240 266 H ARG 37 H ARG 37 -6.568 2.897 -7.471 267 HA ARG 37 HA ARG 37 -4.731 1.262 -9.056 268 HB2 ARG 37 1HB ARG 37 -5.747 0.120 -7.191 269 HB3 ARG 37 2HB ARG 37 -7.354 0.618 -7.704 270 HG2 ARG 37 1HG ARG 37 -7.065 -0.736 -9.759 271 HG3 ARG 37 2HG ARG 37 -5.522 -1.306 -9.119 272 HD2 ARG 37 1HD ARG 37 -6.720 -2.188 -7.140 273 HD3 ARG 37 2HD ARG 37 -8.244 -1.699 -7.880 274 HE ARG 37 HE ARG 37 -6.633 -3.431 -9.524 275 HH11 ARG 37 2HH1 ARG 37 -9.075 -3.258 -7.049 276 HH12 ARG 37 1HH1 ARG 37 -9.720 -4.829 -7.393 277 HH21 ARG 37 2HH2 ARG 37 -7.473 -5.501 -9.986 278 HH22 ARG 37 1HH2 ARG 37 -8.807 -6.104 -9.063 279 H TYR 38 H TYR 38 -8.217 2.030 -9.148 280 HA TYR 38 HA TYR 38 -8.403 1.401 -11.934 281 HB2 TYR 38 1HB TYR 38 -10.301 2.560 -9.912 282 HB3 TYR 38 2HB TYR 38 -10.725 2.502 -11.619 283 HD1 TYR 38 1HD TYR 38 -9.340 0.218 -8.998 284 HD2 TYR 38 2HD TYR 38 -11.952 0.686 -12.324 285 HE1 TYR 38 1HE TYR 38 -10.095 -2.107 -8.725 286 HE2 TYR 38 2HE TYR 38 -12.715 -1.637 -12.059 287 HH TYR 38 HH TYR 38 -12.719 -3.324 -9.768 288 H HIS 39 H HIS 39 -9.127 4.450 -10.229 289 HA HIS 39 HA HIS 39 -9.126 6.082 -12.481 290 HB2 HIS 39 1HB HIS 39 -8.390 6.811 -9.639 291 HB3 HIS 39 2HB HIS 39 -8.797 7.961 -10.908 292 HD1 HIS 39 1HD HIS 39 -11.317 6.964 -12.075 293 HD2 HIS 39 2HD HIS 39 -10.528 6.650 -8.008 294 HE1 HIS 39 1HE HIS 39 -13.565 6.740 -10.969 295 H ASP 40 H ASP 40 -6.527 4.503 -11.021 296 HA ASP 40 HA ASP 40 -4.652 5.945 -12.723 297 HB2 ASP 40 1HB ASP 40 -4.394 5.713 -9.729 298 HB3 ASP 40 2HB ASP 40 -2.995 5.968 -10.768 299 HA PRO 41 HA PRO 41 -3.640 1.643 -13.353 300 HB2 PRO 41 1HB PRO 41 -1.829 2.088 -15.326 301 HB3 PRO 41 2HB PRO 41 -3.575 2.141 -15.595 302 HG2 PRO 41 1HG PRO 41 -1.654 4.398 -15.172 303 HG3 PRO 41 2HG PRO 41 -2.986 4.266 -16.335 304 HD2 PRO 41 1HD PRO 41 -3.203 5.662 -14.025 305 HD3 PRO 41 2HD PRO 41 -4.580 4.820 -14.765 306 H ASN 42 H ASN 42 -1.895 4.002 -11.850 307 HA ASN 42 HA ASN 42 0.736 2.957 -11.903 308 HB2 ASN 42 1HB ASN 42 -0.742 4.936 -10.237 309 HB3 ASN 42 2HB ASN 42 0.762 4.286 -9.592 310 HD21 ASN 42 1HD2 ASN 42 -0.263 6.919 -10.879 311 HD22 ASN 42 2HD2 ASN 42 1.027 7.345 -11.946 312 H PHE 43 H PHE 43 -1.692 2.862 -9.288 313 HA PHE 43 HA PHE 43 -0.272 0.889 -7.809 314 HB2 PHE 43 1HB PHE 43 -1.875 2.549 -6.824 315 HB3 PHE 43 2HB PHE 43 -3.190 1.635 -7.555 316 HD1 PHE 43 1HD PHE 43 -3.069 -0.984 -7.003 317 HD2 PHE 43 2HD PHE 43 -1.414 2.134 -4.623 318 HE1 PHE 43 1HE PHE 43 -3.144 -2.453 -5.031 319 HE2 PHE 43 2HE PHE 43 -1.486 0.669 -2.648 320 HZ PHE 43 HZ PHE 43 -2.351 -1.628 -2.850 321 H VAL 44 H VAL 44 -0.302 -1.260 -7.968 322 HA VAL 44 HA VAL 44 -2.525 -2.568 -9.363 323 HB VAL 44 HB VAL 44 -0.901 -2.392 -11.098 324 HG11 VAL 44 1HG1 VAL 44 1.012 -1.893 -9.567 325 HG12 VAL 44 2HG1 VAL 44 1.148 -3.626 -9.266 326 HG13 VAL 44 3HG1 VAL 44 1.401 -2.990 -10.892 327 HG21 VAL 44 1HG2 VAL 44 -1.996 -4.545 -10.978 328 HG22 VAL 44 2HG2 VAL 44 -0.328 -4.759 -11.512 329 HG23 VAL 44 3HG2 VAL 44 -0.777 -5.135 -9.848 330 HA PRO 45 HA PRO 45 -2.116 -5.086 -5.708 331 HB2 PRO 45 1HB PRO 45 -4.179 -6.751 -6.292 332 HB3 PRO 45 2HB PRO 45 -4.413 -5.117 -5.660 333 HG2 PRO 45 1HG PRO 45 -4.588 -6.101 -8.482 334 HG3 PRO 45 2HG PRO 45 -5.655 -4.976 -7.621 335 HD2 PRO 45 1HD PRO 45 -3.744 -4.139 -9.348 336 HD3 PRO 45 2HD PRO 45 -4.228 -3.192 -7.927 337 H ALA 46 H ALA 46 -1.053 -6.946 -5.263 338 HA ALA 46 HA ALA 46 0.170 -8.383 -7.414 339 HB1 ALA 46 1HB ALA 46 1.692 -8.678 -5.828 340 HB2 ALA 46 2HB ALA 46 0.581 -8.079 -4.596 341 HB3 ALA 46 3HB ALA 46 0.589 -9.791 -5.019 342 H ALA 47 H ALA 47 -0.948 -9.814 -8.570 343 HA ALA 47 HA ALA 47 -2.724 -11.680 -7.136 344 HB1 ALA 47 1HB ALA 47 -3.918 -10.079 -8.619 345 HB2 ALA 47 2HB ALA 47 -3.049 -10.770 -9.990 346 HB3 ALA 47 3HB ALA 47 -4.159 -11.771 -9.053 347 H PHE 48 H PHE 48 -1.612 -13.525 -6.945 348 HA PHE 48 HA PHE 48 -0.337 -14.612 -9.369 349 HB2 PHE 48 1HB PHE 48 0.598 -14.855 -6.503 350 HB3 PHE 48 2HB PHE 48 1.288 -15.751 -7.853 351 HD1 PHE 48 2HD PHE 48 0.674 -12.310 -6.609 352 HD2 PHE 48 1HD PHE 48 2.994 -14.830 -9.135 353 HE1 PHE 48 2HE PHE 48 2.208 -10.440 -7.061 354 HE2 PHE 48 1HE PHE 48 4.532 -12.964 -9.590 355 HZ PHE 48 HZ PHE 48 4.139 -10.765 -8.553 356 H VAL 49 H VAL 49 -1.647 -16.168 -10.079 357 HA VAL 49 HA VAL 49 -2.987 -17.911 -8.135 358 HB VAL 49 HB VAL 49 -3.533 -17.264 -11.015 359 HG11 VAL 49 1HG1 VAL 49 -5.230 -19.033 -11.052 360 HG12 VAL 49 2HG1 VAL 49 -3.605 -19.695 -10.863 361 HG13 VAL 49 3HG1 VAL 49 -4.682 -19.587 -9.470 362 HG21 VAL 49 1HG2 VAL 49 -4.609 -15.815 -9.471 363 HG22 VAL 49 2HG2 VAL 49 -5.839 -16.933 -10.059 364 HG23 VAL 49 3HG2 VAL 49 -5.128 -17.165 -8.462 365 H CYS 50 H CYS 50 -2.745 -20.120 -8.151 366 HA CYS 50 HA CYS 50 -0.267 -21.136 -9.104 367 HB2 CYS 50 1HB CYS 50 -1.632 -21.881 -7.046 368 HB3 CYS 50 2HB CYS 50 -2.564 -22.848 -8.183 369 H SER 51 H SER 51 0.205 -22.426 -10.821 370 HA SER 51 HA SER 51 -1.838 -22.598 -12.901 371 HB2 SER 51 1HB SER 51 1.142 -22.632 -12.856 372 HB3 SER 51 2HB SER 51 0.335 -23.497 -14.164 373 HG SER 51 HG SER 51 0.772 -21.289 -14.672 374 H LYS 52 H LYS 52 -0.739 -24.489 -10.438 375 HA LYS 52 HA LYS 52 -0.871 -27.018 -11.881 376 HB2 LYS 52 1HB LYS 52 -0.185 -26.276 -9.045 377 HB3 LYS 52 2HB LYS 52 -0.443 -27.948 -9.527 378 HG2 LYS 52 1HG LYS 52 1.429 -27.952 -10.931 379 HG3 LYS 52 2HG LYS 52 1.533 -26.190 -10.940 380 HD2 LYS 52 1HD LYS 52 2.465 -26.105 -8.824 381 HD3 LYS 52 2HD LYS 52 1.817 -27.681 -8.364 382 HE2 LYS 52 1HE LYS 52 4.085 -28.101 -8.657 383 HE3 LYS 52 2HE LYS 52 3.379 -28.610 -10.191 384 HZ1 LYS 52 1HZ LYS 52 5.287 -26.556 -9.675 385 HZ2 LYS 52 2HZ LYS 52 3.958 -25.956 -10.532 386 HZ3 LYS 52 3HZ LYS 52 4.841 -27.262 -11.147 387 H CYS 53 H CYS 53 -2.414 -25.644 -8.969 388 HA CYS 53 HA CYS 53 -4.709 -27.412 -9.423 389 HB2 CYS 53 1HB CYS 53 -5.345 -26.893 -7.119 390 HB3 CYS 53 2HB CYS 53 -3.684 -27.473 -7.188 391 H GLY 54 H GLY 54 -3.880 -24.006 -8.910 392 HA2 GLY 54 1HA GLY 54 -5.037 -22.352 -10.279 393 HA3 GLY 54 2HA GLY 54 -6.499 -23.306 -10.081 394 H LYS 55 H LYS 55 -4.307 -22.702 -7.433 395 HA LYS 55 HA LYS 55 -6.436 -21.427 -5.950 396 HB2 LYS 55 1HB LYS 55 -4.549 -23.115 -5.146 397 HB3 LYS 55 2HB LYS 55 -3.659 -21.622 -4.878 398 HG2 LYS 55 1HG LYS 55 -5.203 -20.857 -3.288 399 HG3 LYS 55 2HG LYS 55 -6.414 -22.047 -3.770 400 HD2 LYS 55 1HD LYS 55 -5.393 -23.750 -2.627 401 HD3 LYS 55 2HD LYS 55 -3.788 -23.031 -2.774 402 HE2 LYS 55 1HE LYS 55 -4.176 -22.648 -0.558 403 HE3 LYS 55 2HE LYS 55 -4.869 -21.175 -1.235 404 HZ1 LYS 55 1HZ LYS 55 -6.208 -23.477 -0.031 405 HZ2 LYS 55 2HZ LYS 55 -7.003 -22.690 -1.300 406 HZ3 LYS 55 3HZ LYS 55 -6.572 -21.830 0.091 407 H THR 56 H THR 56 -5.706 -19.496 -4.514 408 HA THR 56 HA THR 56 -4.332 -17.541 -6.242 409 HB THR 56 HB THR 56 -5.772 -15.817 -5.024 410 HG1 THR 56 1HG THR 56 -7.458 -18.053 -4.542 411 HG21 THR 56 1HG2 THR 56 -6.583 -17.710 -7.140 412 HG22 THR 56 2HG2 THR 56 -6.492 -15.949 -7.167 413 HG23 THR 56 3HG2 THR 56 -7.879 -16.749 -6.429 414 H PHE 57 H PHE 57 -2.841 -16.192 -5.329 415 HA PHE 57 HA PHE 57 -2.400 -16.391 -2.433 416 HB2 PHE 57 1HB PHE 57 -0.304 -16.731 -4.584 417 HB3 PHE 57 2HB PHE 57 0.069 -16.478 -2.882 418 HD1 PHE 57 1HD PHE 57 -1.400 -18.804 -5.321 419 HD2 PHE 57 2HD PHE 57 -0.144 -18.237 -1.294 420 HE1 PHE 57 1HE PHE 57 -1.571 -21.227 -4.930 421 HE2 PHE 57 2HE PHE 57 -0.313 -20.659 -0.897 422 HZ PHE 57 HZ PHE 57 -1.027 -22.158 -2.716 423 H THR 58 H THR 58 -0.743 -14.702 -1.716 424 HA THR 58 HA THR 58 -1.416 -12.174 -3.050 425 HB THR 58 HB THR 58 -0.315 -12.562 -0.262 426 HG1 THR 58 1HG THR 58 -2.736 -11.757 -0.023 427 HG21 THR 58 1HG2 THR 58 -0.328 -10.297 -1.794 428 HG22 THR 58 2HG2 THR 58 -0.337 -10.325 -0.031 429 HG23 THR 58 3HG2 THR 58 -1.851 -10.154 -0.918 430 H ARG 59 H ARG 59 1.295 -14.022 -1.736 431 HA ARG 59 HA ARG 59 3.134 -12.177 -3.115 432 HB2 ARG 59 1HB ARG 59 3.734 -13.982 -0.764 433 HB3 ARG 59 2HB ARG 59 4.849 -12.850 -1.517 434 HG2 ARG 59 1HG ARG 59 3.743 -10.994 -0.659 435 HG3 ARG 59 2HG ARG 59 2.267 -11.907 -0.337 436 HD2 ARG 59 1HD ARG 59 3.131 -12.883 1.571 437 HD3 ARG 59 2HD ARG 59 4.802 -12.645 1.059 438 HE ARG 59 HE ARG 59 3.115 -10.752 2.448 439 HH11 ARG 59 2HH1 ARG 59 5.993 -11.240 0.550 440 HH12 ARG 59 1HH1 ARG 59 6.760 -9.788 1.103 441 HH21 ARG 59 2HH2 ARG 59 4.115 -8.838 3.182 442 HH22 ARG 59 1HH2 ARG 59 5.692 -8.423 2.600 443 H ARG 60 H ARG 60 4.554 -12.975 -4.577 444 HA ARG 60 HA ARG 60 4.055 -15.416 -5.835 445 HB2 ARG 60 1HB ARG 60 5.348 -13.290 -6.643 446 HB3 ARG 60 2HB ARG 60 6.752 -14.121 -5.988 447 HG2 ARG 60 1HG ARG 60 6.218 -16.059 -7.442 448 HG3 ARG 60 2HG ARG 60 4.920 -15.105 -8.162 449 HD2 ARG 60 1HD ARG 60 6.538 -13.440 -8.901 450 HD3 ARG 60 2HD ARG 60 7.841 -14.356 -8.145 451 HE ARG 60 HE ARG 60 6.803 -16.162 -9.827 452 HH11 ARG 60 2HH1 ARG 60 7.733 -12.839 -10.283 453 HH12 ARG 60 1HH1 ARG 60 8.155 -13.049 -11.950 454 HH21 ARG 60 2HH2 ARG 60 7.354 -16.452 -12.021 455 HH22 ARG 60 1HH2 ARG 60 7.938 -15.105 -12.938 456 H ASN 61 H ASN 61 7.038 -14.580 -4.061 457 HA ASN 61 HA ASN 61 8.314 -16.917 -3.902 458 HB2 ASN 61 1HB ASN 61 9.320 -15.162 -2.728 459 HB3 ASN 61 2HB ASN 61 7.875 -14.846 -1.772 460 HD21 ASN 61 1HD2 ASN 61 7.317 -16.352 -0.108 461 HD22 ASN 61 2HD2 ASN 61 8.549 -17.292 0.656 462 H THR 62 H THR 62 5.553 -16.064 -1.839 463 HA THR 62 HA THR 62 5.492 -18.462 -0.365 464 HB THR 62 HB THR 62 3.184 -16.616 -1.012 465 HG1 THR 62 1HG THR 62 4.613 -16.619 1.418 466 HG21 THR 62 1HG2 THR 62 3.492 -18.496 1.326 467 HG22 THR 62 2HG2 THR 62 2.592 -18.899 -0.137 468 HG23 THR 62 3HG2 THR 62 2.070 -17.556 0.878 469 H MET 63 H MET 63 3.844 -17.481 -3.345 470 HA MET 63 HA MET 63 2.300 -19.842 -3.612 471 HB2 MET 63 1HB MET 63 1.753 -17.729 -4.762 472 HB3 MET 63 2HB MET 63 3.198 -17.901 -5.749 473 HG2 MET 63 1HG MET 63 1.223 -20.118 -5.742 474 HG3 MET 63 2HG MET 63 0.830 -18.640 -6.617 475 HE1 MET 63 1HE MET 63 3.259 -18.343 -9.399 476 HE2 MET 63 2HE MET 63 1.537 -18.720 -9.426 477 HE3 MET 63 3HE MET 63 2.168 -17.561 -8.255 478 H ALA 64 H ALA 64 5.295 -18.787 -5.231 479 HA ALA 64 HA ALA 64 5.821 -20.886 -6.866 480 HB1 ALA 64 1HB ALA 64 8.179 -20.406 -6.623 481 HB2 ALA 64 2HB ALA 64 7.260 -18.901 -6.625 482 HB3 ALA 64 3HB ALA 64 7.877 -19.554 -5.108 483 H ARG 65 H ARG 65 6.723 -20.744 -3.419 484 HA ARG 65 HA ARG 65 7.833 -23.306 -3.255 485 HB2 ARG 65 1HB ARG 65 6.482 -21.614 -1.148 486 HB3 ARG 65 2HB ARG 65 7.346 -23.105 -0.797 487 HG2 ARG 65 1HG ARG 65 9.375 -22.066 -1.835 488 HG3 ARG 65 2HG ARG 65 8.475 -20.549 -1.906 489 HD2 ARG 65 1HD ARG 65 8.466 -20.292 0.381 490 HD3 ARG 65 2HD ARG 65 8.638 -22.021 0.681 491 HE ARG 65 HE ARG 65 10.929 -20.789 -0.563 492 HH11 ARG 65 2HH1 ARG 65 9.363 -21.615 2.434 493 HH12 ARG 65 1HH1 ARG 65 10.829 -21.591 3.358 494 HH21 ARG 65 2HH2 ARG 65 12.866 -20.755 0.641 495 HH22 ARG 65 1HH2 ARG 65 12.821 -21.101 2.337 496 H HIS 66 H HIS 66 4.514 -22.194 -2.690 497 HA HIS 66 HA HIS 66 3.417 -24.591 -1.790 498 HB2 HIS 66 1HB HIS 66 1.978 -22.796 -1.549 499 HB3 HIS 66 2HB HIS 66 2.311 -22.176 -3.164 500 HD1 HIS 66 1HD HIS 66 0.412 -24.986 -1.474 501 HD2 HIS 66 2HD HIS 66 0.477 -22.882 -5.056 502 HE1 HIS 66 1HE HIS 66 -1.615 -25.760 -2.745 503 H ALA 67 H ALA 67 3.872 -23.392 -5.088 504 HA ALA 67 HA ALA 67 2.486 -25.317 -6.508 505 HB1 ALA 67 1HB ALA 67 4.357 -24.895 -8.269 506 HB2 ALA 67 2HB ALA 67 3.269 -23.584 -7.812 507 HB3 ALA 67 3HB ALA 67 4.893 -23.662 -7.128 508 H ASP 68 H ASP 68 5.865 -25.416 -5.405 509 HA ASP 68 HA ASP 68 6.729 -27.760 -6.504 510 HB2 ASP 68 1HB ASP 68 7.858 -26.090 -4.803 511 HB3 ASP 68 2HB ASP 68 7.335 -27.280 -3.615 512 H ASN 69 H ASN 69 5.158 -27.514 -3.308 513 HA ASN 69 HA ASN 69 4.854 -30.335 -3.049 514 HB2 ASN 69 1HB ASN 69 3.424 -28.130 -1.548 515 HB3 ASN 69 2HB ASN 69 3.546 -29.816 -1.055 516 HD21 ASN 69 1HD2 ASN 69 4.366 -27.553 0.451 517 HD22 ASN 69 2HD2 ASN 69 6.071 -27.683 0.698 518 H CYS 70 H CYS 70 3.123 -27.945 -4.731 519 HA CYS 70 HA CYS 70 0.560 -29.262 -4.644 520 HB2 CYS 70 1HB CYS 70 0.788 -26.798 -4.905 521 HB3 CYS 70 2HB CYS 70 1.516 -27.062 -6.486 522 H ALA 71 H ALA 71 -0.385 -30.501 -6.222 523 HA ALA 71 HA ALA 71 1.395 -31.394 -8.397 524 HB1 ALA 71 1HB ALA 71 0.517 -32.962 -6.402 525 HB2 ALA 71 2HB ALA 71 -0.801 -33.175 -7.554 526 HB3 ALA 71 3HB ALA 71 0.854 -33.555 -8.029 527 H GLY 72 H GLY 72 -1.921 -30.606 -7.479 528 HA2 GLY 72 1HA GLY 72 -2.594 -29.442 -9.919 529 HA3 GLY 72 2HA GLY 72 -3.103 -31.123 -9.999 530 HA PRO 73 HA PRO 73 -6.524 -28.594 -8.117 531 HB2 PRO 73 1HB PRO 73 -8.471 -29.571 -9.737 532 HB3 PRO 73 2HB PRO 73 -7.476 -28.174 -10.166 533 HG2 PRO 73 1HG PRO 73 -7.203 -31.029 -11.025 534 HG3 PRO 73 2HG PRO 73 -7.050 -29.550 -11.991 535 HD2 PRO 73 1HD PRO 73 -4.902 -30.921 -11.076 536 HD3 PRO 73 2HD PRO 73 -4.894 -29.157 -11.279 537 H ASP 74 H ASP 74 -7.980 -29.328 -6.617 538 HA ASP 74 HA ASP 74 -8.169 -32.252 -6.297 539 HB2 ASP 74 1HB ASP 74 -8.573 -31.639 -3.826 540 HB3 ASP 74 2HB ASP 74 -6.929 -31.514 -4.446 541 H GLY 75 H GLY 75 -9.876 -29.242 -5.414 542 HA2 GLY 75 1HA GLY 75 -12.347 -30.207 -6.500 543 HA3 GLY 75 2HA GLY 75 -12.329 -30.263 -4.744 544 H VAL 76 H VAL 76 -12.339 -28.206 -7.556 545 HA VAL 76 HA VAL 76 -13.297 -26.004 -5.889 546 HB VAL 76 HB VAL 76 -10.996 -25.424 -6.068 547 HG11 VAL 76 1HG1 VAL 76 -10.233 -26.866 -7.794 548 HG12 VAL 76 2HG1 VAL 76 -11.278 -26.095 -8.990 549 HG13 VAL 76 3HG1 VAL 76 -9.901 -25.216 -8.322 550 HG21 VAL 76 1HG2 VAL 76 -11.552 -23.639 -8.205 551 HG22 VAL 76 2HG2 VAL 76 -13.042 -23.882 -7.294 552 HG23 VAL 76 3HG2 VAL 76 -11.587 -23.321 -6.471 553 H GLU 77 H GLU 77 -14.918 -24.876 -6.806 554 HA GLU 77 HA GLU 77 -15.438 -25.298 -9.674 555 HB2 GLU 77 1HB GLU 77 -17.283 -25.578 -7.337 556 HB3 GLU 77 2HB GLU 77 -17.931 -25.024 -8.874 557 HG2 GLU 77 1HG GLU 77 -18.270 -27.316 -8.919 558 HG3 GLU 77 2HG GLU 77 -16.810 -27.089 -9.880 559 H GLY 78 H GLY 78 -16.606 -23.309 -6.944 560 HA2 GLY 78 1HA GLY 78 -16.557 -20.987 -6.743 561 HA3 GLY 78 2HA GLY 78 -15.881 -20.886 -8.362 562 H GLU 79 H GLU 79 -18.788 -20.992 -6.462 563 HA GLU 79 HA GLU 79 -20.266 -19.828 -8.670 564 HB2 GLU 79 1HB GLU 79 -20.589 -22.256 -8.975 565 HB3 GLU 79 2HB GLU 79 -21.214 -22.370 -7.335 566 HG2 GLU 79 1HG GLU 79 -22.971 -20.673 -8.085 567 HG3 GLU 79 2HG GLU 79 -22.455 -21.060 -9.725 568 H ASN 80 H ASN 80 -21.226 -18.108 -7.836 569 HA ASN 80 HA ASN 80 -23.005 -18.206 -5.657 570 HB2 ASN 80 1HB ASN 80 -21.630 -16.622 -4.165 571 HB3 ASN 80 2HB ASN 80 -21.207 -18.331 -4.146 572 HD21 ASN 80 1HD2 ASN 80 -20.165 -15.156 -4.819 573 HD22 ASN 80 2HD2 ASN 80 -18.563 -15.544 -5.339 574 H SER 81 H SER 81 -24.300 -16.428 -5.623 575 HA SER 81 HA SER 81 -23.794 -14.429 -7.685 576 HB2 SER 81 1HB SER 81 -26.120 -13.866 -7.507 577 HB3 SER 81 2HB SER 81 -26.007 -15.625 -7.502 578 HG SER 81 HG SER 81 -27.006 -13.974 -5.616 579 H GLY 82 H GLY 82 -24.748 -12.157 -7.049 580 HA2 GLY 82 1HA GLY 82 -24.215 -11.376 -4.314 581 HA3 GLY 82 2HA GLY 82 -23.024 -10.805 -5.474 582 HA PRO 83 HA PRO 83 -27.336 -8.705 -6.347 583 HB2 PRO 83 1HB PRO 83 -28.876 -8.457 -4.126 584 HB3 PRO 83 2HB PRO 83 -29.006 -9.826 -5.236 585 HG2 PRO 83 1HG PRO 83 -27.568 -9.641 -2.618 586 HG3 PRO 83 2HG PRO 83 -28.577 -10.955 -3.249 587 HD2 PRO 83 1HD PRO 83 -25.871 -11.037 -3.312 588 HD3 PRO 83 2HD PRO 83 -26.878 -11.798 -4.560 589 H SER 84 H SER 84 -28.310 -6.586 -5.395 590 HA SER 84 HA SER 84 -26.315 -5.203 -3.739 591 HB2 SER 84 1HB SER 84 -26.599 -3.199 -5.248 592 HB3 SER 84 2HB SER 84 -25.752 -4.561 -5.980 593 HG SER 84 HG SER 84 -28.148 -5.066 -6.608 594 H SER 85 H SER 85 -28.692 -6.208 -2.769 595 HA SER 85 HA SER 85 -31.008 -4.872 -2.779 596 HB2 SER 85 1HB SER 85 -29.513 -5.645 -0.262 597 HB3 SER 85 2HB SER 85 -31.245 -5.328 -0.364 598 HG SER 85 HG SER 85 -31.501 -7.133 -1.606 599 H GLY 86 H GLY 86 -28.182 -3.790 -0.894 600 HA2 GLY 86 1HA GLY 86 -27.533 -1.680 -0.251 601 HA3 GLY 86 2HA GLY 86 -28.660 -1.047 -1.442 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -10.564 18.820 24.248 2 HA2 GLY 1 1HA GLY 1 -9.371 17.981 21.752 3 HA3 GLY 1 2HA GLY 1 -8.355 17.706 23.159 4 H SER 2 H SER 2 -11.004 16.590 21.314 5 HA SER 2 HA SER 2 -11.627 14.544 23.336 6 HB2 SER 2 1HB SER 2 -13.230 15.777 21.119 7 HB3 SER 2 2HB SER 2 -13.645 14.168 21.710 8 HG SER 2 HG SER 2 -14.779 15.810 22.828 9 H SER 3 H SER 3 -10.628 12.677 23.030 10 HA SER 3 HA SER 3 -9.589 11.949 20.429 11 HB2 SER 3 1HB SER 3 -8.119 11.463 22.223 12 HB3 SER 3 2HB SER 3 -9.399 10.707 23.172 13 HG SER 3 HG SER 3 -9.299 8.933 21.926 14 H GLY 4 H GLY 4 -10.038 9.934 19.378 15 HA2 GLY 4 1HA GLY 4 -12.561 9.352 18.716 16 HA3 GLY 4 2HA GLY 4 -11.340 8.091 18.810 17 H SER 5 H SER 5 -14.341 8.375 19.492 18 HA SER 5 HA SER 5 -14.206 6.674 21.833 19 HB2 SER 5 1HB SER 5 -15.357 9.437 21.888 20 HB3 SER 5 2HB SER 5 -16.128 8.172 22.845 21 HG SER 5 HG SER 5 -13.353 8.727 22.967 22 H SER 6 H SER 6 -15.541 5.035 21.502 23 HA SER 6 HA SER 6 -18.231 5.286 20.715 24 HB2 SER 6 1HB SER 6 -18.219 4.443 18.476 25 HB3 SER 6 2HB SER 6 -17.076 5.785 18.518 26 HG SER 6 HG SER 6 -15.710 4.390 17.755 27 H GLY 7 H GLY 7 -19.196 3.081 20.169 28 HA2 GLY 7 1HA GLY 7 -17.913 1.114 21.931 29 HA3 GLY 7 2HA GLY 7 -19.608 1.127 21.466 30 H ARG 8 H ARG 8 -20.141 -0.494 20.181 31 HA ARG 8 HA ARG 8 -18.276 -1.294 18.061 32 HB2 ARG 8 1HB ARG 8 -19.559 -3.074 20.118 33 HB3 ARG 8 2HB ARG 8 -19.070 -3.701 18.550 34 HG2 ARG 8 1HG ARG 8 -16.772 -2.670 19.107 35 HG3 ARG 8 2HG ARG 8 -17.371 -2.638 20.767 36 HD2 ARG 8 1HD ARG 8 -16.312 -4.686 20.682 37 HD3 ARG 8 2HD ARG 8 -17.980 -5.123 20.313 38 HE ARG 8 HE ARG 8 -15.724 -5.116 18.465 39 HH11 ARG 8 2HH1 ARG 8 -19.140 -5.534 18.993 40 HH12 ARG 8 1HH1 ARG 8 -19.397 -6.390 17.509 41 HH21 ARG 8 2HH2 ARG 8 -16.050 -6.241 16.508 42 HH22 ARG 8 1HH2 ARG 8 -17.639 -6.792 16.096 43 H THR 9 H THR 9 -19.319 -0.888 16.230 44 HA THR 9 HA THR 9 -22.144 -1.701 16.021 45 HB THR 9 HB THR 9 -22.401 0.178 14.345 46 HG1 THR 9 1HG THR 9 -20.346 0.812 13.903 47 HG21 THR 9 1HG2 THR 9 -22.929 0.149 16.952 48 HG22 THR 9 2HG2 THR 9 -23.174 1.590 15.966 49 HG23 THR 9 3HG2 THR 9 -21.720 1.432 16.952 50 H HIS 10 H HIS 10 -21.911 -3.581 14.919 51 HA HIS 10 HA HIS 10 -20.230 -3.608 12.518 52 HB2 HIS 10 1HB HIS 10 -19.845 -5.442 14.062 53 HB3 HIS 10 2HB HIS 10 -21.556 -5.860 14.041 54 HD1 HIS 10 1HD HIS 10 -20.999 -8.243 13.184 55 HD2 HIS 10 2HD HIS 10 -19.822 -5.186 10.627 56 HE1 HIS 10 1HE HIS 10 -20.456 -9.365 11.000 57 H THR 11 H THR 11 -22.546 -2.092 12.324 58 HA THR 11 HA THR 11 -24.791 -3.441 11.322 59 HB THR 11 HB THR 11 -25.317 -1.258 10.172 60 HG1 THR 11 1HG THR 11 -23.536 -0.141 9.805 61 HG21 THR 11 1HG2 THR 11 -24.619 -0.415 12.894 62 HG22 THR 11 2HG2 THR 11 -25.487 -1.948 12.808 63 HG23 THR 11 3HG2 THR 11 -26.191 -0.494 12.101 64 H GLY 12 H GLY 12 -21.910 -2.177 9.691 65 HA2 GLY 12 1HA GLY 12 -20.943 -3.110 7.762 66 HA3 GLY 12 2HA GLY 12 -22.440 -3.980 7.459 67 H GLU 13 H GLU 13 -21.695 -0.525 7.910 68 HA GLU 13 HA GLU 13 -22.941 -0.029 5.286 69 HB2 GLU 13 1HB GLU 13 -23.181 1.497 7.868 70 HB3 GLU 13 2HB GLU 13 -23.515 2.260 6.320 71 HG2 GLU 13 1HG GLU 13 -25.349 0.869 5.899 72 HG3 GLU 13 2HG GLU 13 -24.872 -0.280 7.148 73 H LYS 14 H LYS 14 -20.840 -0.154 4.334 74 HA LYS 14 HA LYS 14 -18.532 1.104 4.975 75 HB2 LYS 14 1HB LYS 14 -19.806 0.883 2.245 76 HB3 LYS 14 2HB LYS 14 -18.141 1.387 2.504 77 HG2 LYS 14 1HG LYS 14 -17.444 -0.706 3.061 78 HG3 LYS 14 2HG LYS 14 -19.014 -1.175 3.719 79 HD2 LYS 14 1HD LYS 14 -19.923 -1.361 1.473 80 HD3 LYS 14 2HD LYS 14 -18.391 -0.816 0.787 81 HE2 LYS 14 1HE LYS 14 -18.359 -3.175 2.595 82 HE3 LYS 14 2HE LYS 14 -19.011 -3.385 0.971 83 HZ1 LYS 14 1HZ LYS 14 -16.802 -2.138 0.346 84 HZ2 LYS 14 2HZ LYS 14 -16.828 -3.813 0.582 85 HZ3 LYS 14 3HZ LYS 14 -16.273 -2.793 1.813 86 HA PRO 15 HA PRO 15 -20.068 5.348 5.235 87 HB2 PRO 15 1HB PRO 15 -17.929 6.261 6.634 88 HB3 PRO 15 2HB PRO 15 -19.274 5.399 7.390 89 HG2 PRO 15 1HG PRO 15 -16.588 4.367 6.564 90 HG3 PRO 15 2HG PRO 15 -17.503 4.044 8.048 91 HD2 PRO 15 1HD PRO 15 -17.426 2.303 5.975 92 HD3 PRO 15 2HD PRO 15 -18.846 2.473 7.027 93 H TYR 16 H TYR 16 -16.951 4.160 4.142 94 HA TYR 16 HA TYR 16 -16.264 6.661 2.854 95 HB2 TYR 16 1HB TYR 16 -14.890 3.973 2.665 96 HB3 TYR 16 2HB TYR 16 -14.231 5.523 2.155 97 HD1 TYR 16 2HD TYR 16 -15.211 3.504 5.086 98 HD2 TYR 16 1HD TYR 16 -13.218 7.006 3.721 99 HE1 TYR 16 2HE TYR 16 -14.250 3.824 7.328 100 HE2 TYR 16 1HE TYR 16 -12.251 7.335 5.958 101 HH TYR 16 HH TYR 16 -13.347 5.720 8.690 102 H ALA 17 H ALA 17 -17.638 7.102 1.205 103 HA ALA 17 HA ALA 17 -17.982 5.039 -0.869 104 HB1 ALA 17 1HB ALA 17 -19.713 7.402 -0.164 105 HB2 ALA 17 2HB ALA 17 -19.958 6.384 -1.584 106 HB3 ALA 17 3HB ALA 17 -20.098 5.692 0.031 107 H CYS 18 H CYS 18 -16.691 5.308 -2.559 108 HA CYS 18 HA CYS 18 -15.109 7.487 -3.131 109 HB2 CYS 18 1HB CYS 18 -15.102 5.107 -4.147 110 HB3 CYS 18 2HB CYS 18 -16.228 5.766 -5.329 111 H SER 19 H SER 19 -15.239 9.238 -4.537 112 HA SER 19 HA SER 19 -17.951 10.209 -4.986 113 HB2 SER 19 1HB SER 19 -15.238 11.491 -4.918 114 HB3 SER 19 2HB SER 19 -16.582 12.322 -5.701 115 HG SER 19 HG SER 19 -16.163 11.744 -3.009 116 H HIS 20 H HIS 20 -15.031 9.402 -6.785 117 HA HIS 20 HA HIS 20 -15.851 10.329 -9.306 118 HB2 HIS 20 1HB HIS 20 -13.826 8.368 -8.329 119 HB3 HIS 20 2HB HIS 20 -14.229 8.359 -10.044 120 HD1 HIS 20 1HD HIS 20 -13.663 11.276 -7.660 121 HD2 HIS 20 2HD HIS 20 -12.237 9.732 -11.244 122 HE1 HIS 20 1HE HIS 20 -11.963 12.938 -8.479 123 H CYS 21 H CYS 21 -16.286 7.210 -7.698 124 HA CYS 21 HA CYS 21 -18.273 6.520 -9.759 125 HB2 CYS 21 1HB CYS 21 -17.619 4.190 -9.621 126 HB3 CYS 21 2HB CYS 21 -16.205 5.166 -10.006 127 H ASP 22 H ASP 22 -19.554 4.465 -8.825 128 HA ASP 22 HA ASP 22 -20.676 5.405 -6.290 129 HB2 ASP 22 1HB ASP 22 -22.061 4.957 -8.434 130 HB3 ASP 22 2HB ASP 22 -21.879 3.256 -8.014 131 H LYS 23 H LYS 23 -18.328 4.252 -5.797 132 HA LYS 23 HA LYS 23 -18.962 1.515 -4.911 133 HB2 LYS 23 1HB LYS 23 -16.357 2.831 -5.649 134 HB3 LYS 23 2HB LYS 23 -16.402 1.355 -4.693 135 HG2 LYS 23 1HG LYS 23 -17.918 1.420 -7.247 136 HG3 LYS 23 2HG LYS 23 -16.158 1.300 -7.313 137 HD2 LYS 23 1HD LYS 23 -16.360 -0.629 -5.688 138 HD3 LYS 23 2HD LYS 23 -18.099 -0.582 -5.984 139 HE2 LYS 23 1HE LYS 23 -17.789 -1.069 -8.301 140 HE3 LYS 23 2HE LYS 23 -16.043 -0.866 -8.168 141 HZ1 LYS 23 1HZ LYS 23 -16.145 -2.780 -6.535 142 HZ2 LYS 23 2HZ LYS 23 -16.400 -3.161 -8.163 143 HZ3 LYS 23 3HZ LYS 23 -17.714 -3.061 -7.102 144 H THR 24 H THR 24 -18.362 0.872 -2.806 145 HA THR 24 HA THR 24 -17.714 3.063 -0.950 146 HB THR 24 HB THR 24 -19.262 2.054 0.713 147 HG1 THR 24 1HG THR 24 -19.311 0.045 -0.934 148 HG21 THR 24 1HG2 THR 24 -19.844 3.802 -1.284 149 HG22 THR 24 2HG2 THR 24 -20.953 3.375 0.019 150 HG23 THR 24 3HG2 THR 24 -21.077 2.568 -1.543 151 H PHE 25 H PHE 25 -16.752 2.381 1.064 152 HA PHE 25 HA PHE 25 -15.789 -0.353 1.237 153 HB2 PHE 25 1HB PHE 25 -13.769 1.882 1.296 154 HB3 PHE 25 2HB PHE 25 -13.476 0.149 1.199 155 HD1 PHE 25 1HD PHE 25 -14.835 3.035 -0.685 156 HD2 PHE 25 2HD PHE 25 -13.261 -0.916 -0.869 157 HE1 PHE 25 1HE PHE 25 -14.719 3.199 -3.137 158 HE2 PHE 25 2HE PHE 25 -13.141 -0.758 -3.321 159 HZ PHE 25 HZ PHE 25 -13.870 1.302 -4.458 160 H ARG 26 H ARG 26 -15.200 -0.968 3.304 161 HA ARG 26 HA ARG 26 -16.264 0.632 5.425 162 HB2 ARG 26 1HB ARG 26 -15.508 -1.231 6.881 163 HB3 ARG 26 2HB ARG 26 -16.494 -1.770 5.528 164 HG2 ARG 26 1HG ARG 26 -14.140 -2.099 4.388 165 HG3 ARG 26 2HG ARG 26 -13.609 -2.206 6.068 166 HD2 ARG 26 1HD ARG 26 -15.645 -3.853 6.268 167 HD3 ARG 26 2HD ARG 26 -15.421 -4.001 4.525 168 HE ARG 26 HE ARG 26 -12.999 -4.342 6.032 169 HH11 ARG 26 2HH1 ARG 26 -15.838 -5.922 4.781 170 HH12 ARG 26 1HH1 ARG 26 -15.115 -7.496 4.766 171 HH21 ARG 26 2HH2 ARG 26 -12.035 -6.409 6.017 172 HH22 ARG 26 1HH2 ARG 26 -12.952 -7.772 5.470 173 H GLN 27 H GLN 27 -13.015 -0.337 4.406 174 HA GLN 27 HA GLN 27 -11.872 1.432 6.450 175 HB2 GLN 27 1HB GLN 27 -10.657 -0.773 4.786 176 HB3 GLN 27 2HB GLN 27 -9.704 0.304 5.798 177 HG2 GLN 27 1HG GLN 27 -11.190 -0.451 7.720 178 HG3 GLN 27 2HG GLN 27 -11.736 -1.732 6.639 179 HE21 GLN 27 1HE2 GLN 27 -8.756 -0.262 7.870 180 HE22 GLN 27 2HE2 GLN 27 -7.876 -1.743 8.006 181 H LYS 28 H LYS 28 -10.845 3.269 5.931 182 HA LYS 28 HA LYS 28 -11.180 4.509 3.474 183 HB2 LYS 28 1HB LYS 28 -9.466 6.125 4.250 184 HB3 LYS 28 2HB LYS 28 -10.686 5.783 5.470 185 HG2 LYS 28 1HG LYS 28 -9.218 4.606 6.802 186 HG3 LYS 28 2HG LYS 28 -8.124 4.250 5.463 187 HD2 LYS 28 1HD LYS 28 -7.226 6.415 5.474 188 HD3 LYS 28 2HD LYS 28 -8.565 7.060 6.427 189 HE2 LYS 28 1HE LYS 28 -6.744 4.953 7.537 190 HE3 LYS 28 2HE LYS 28 -6.298 6.658 7.588 191 HZ1 LYS 28 1HZ LYS 28 -8.903 6.502 8.507 192 HZ2 LYS 28 2HZ LYS 28 -7.514 6.829 9.414 193 HZ3 LYS 28 3HZ LYS 28 -8.073 5.239 9.268 194 H GLN 29 H GLN 29 -8.676 2.345 4.557 195 HA GLN 29 HA GLN 29 -6.697 2.922 2.658 196 HB2 GLN 29 1HB GLN 29 -6.175 1.544 4.557 197 HB3 GLN 29 2HB GLN 29 -7.379 0.351 4.087 198 HG2 GLN 29 1HG GLN 29 -5.251 -0.526 3.530 199 HG3 GLN 29 2HG GLN 29 -6.044 -0.069 2.022 200 HE21 GLN 29 1HE2 GLN 29 -3.555 -0.356 1.624 201 HE22 GLN 29 2HE2 GLN 29 -2.663 1.123 1.619 202 H LEU 30 H LEU 30 -9.495 0.771 2.526 203 HA LEU 30 HA LEU 30 -8.887 -0.443 0.056 204 HB2 LEU 30 1HB LEU 30 -11.323 -0.124 1.728 205 HB3 LEU 30 2HB LEU 30 -11.530 -0.634 0.053 206 HG LEU 30 HG LEU 30 -10.066 -2.570 0.491 207 HD11 LEU 30 1HD1 LEU 30 -9.023 -2.976 2.459 208 HD12 LEU 30 2HD1 LEU 30 -10.270 -2.175 3.415 209 HD13 LEU 30 3HD1 LEU 30 -9.064 -1.215 2.557 210 HD21 LEU 30 1HD2 LEU 30 -12.260 -2.506 2.540 211 HD22 LEU 30 2HD2 LEU 30 -11.697 -3.866 1.569 212 HD23 LEU 30 3HD2 LEU 30 -12.597 -2.552 0.810 213 H LEU 31 H LEU 31 -10.938 2.348 0.859 214 HA LEU 31 HA LEU 31 -11.692 2.914 -1.808 215 HB2 LEU 31 1HB LEU 31 -13.055 3.812 -0.128 216 HB3 LEU 31 2HB LEU 31 -11.683 4.506 0.734 217 HG LEU 31 HG LEU 31 -11.434 6.198 -1.007 218 HD11 LEU 31 1HD1 LEU 31 -12.138 5.526 -3.035 219 HD12 LEU 31 2HD1 LEU 31 -13.670 6.226 -2.514 220 HD13 LEU 31 3HD1 LEU 31 -13.401 4.489 -2.374 221 HD21 LEU 31 1HD2 LEU 31 -14.308 6.087 -0.118 222 HD22 LEU 31 2HD2 LEU 31 -13.328 7.517 -0.447 223 HD23 LEU 31 3HD2 LEU 31 -12.974 6.507 0.956 224 H ASP 32 H ASP 32 -8.831 3.536 -0.006 225 HA ASP 32 HA ASP 32 -7.920 5.743 -1.605 226 HB2 ASP 32 1HB ASP 32 -7.248 5.227 0.810 227 HB3 ASP 32 2HB ASP 32 -6.194 3.988 0.134 228 H MET 33 H MET 33 -7.178 2.279 -1.406 229 HA MET 33 HA MET 33 -5.273 2.364 -3.539 230 HB2 MET 33 1HB MET 33 -5.208 -0.040 -3.344 231 HB3 MET 33 2HB MET 33 -5.225 0.661 -1.731 232 HG2 MET 33 1HG MET 33 -7.467 0.050 -1.374 233 HG3 MET 33 2HG MET 33 -7.721 -0.306 -3.081 234 HE1 MET 33 1HE MET 33 -8.917 -2.517 -1.970 235 HE2 MET 33 2HE MET 33 -8.215 -2.716 -3.576 236 HE3 MET 33 3HE MET 33 -7.979 -3.962 -2.349 237 H HIS 34 H HIS 34 -8.693 1.582 -3.253 238 HA HIS 34 HA HIS 34 -9.161 0.401 -5.711 239 HB2 HIS 34 1HB HIS 34 -11.052 0.351 -4.422 240 HB3 HIS 34 2HB HIS 34 -10.801 1.980 -3.800 241 HD1 HIS 34 1HD HIS 34 -12.404 0.101 -6.592 242 HD2 HIS 34 2HD HIS 34 -11.912 4.039 -5.361 243 HE1 HIS 34 1HE HIS 34 -14.005 1.447 -7.989 244 H PHE 35 H PHE 35 -9.326 3.868 -4.908 245 HA PHE 35 HA PHE 35 -9.945 4.808 -7.455 246 HB2 PHE 35 1HB PHE 35 -10.024 6.175 -5.385 247 HB3 PHE 35 2HB PHE 35 -8.264 6.202 -5.362 248 HD1 PHE 35 2HD PHE 35 -7.120 7.131 -7.509 249 HD2 PHE 35 1HD PHE 35 -11.171 7.874 -6.434 250 HE1 PHE 35 2HE PHE 35 -7.132 9.128 -8.946 251 HE2 PHE 35 1HE PHE 35 -11.190 9.871 -7.871 252 HZ PHE 35 HZ PHE 35 -9.168 10.501 -9.128 253 H LYS 36 H LYS 36 -6.733 4.661 -5.912 254 HA LYS 36 HA LYS 36 -5.296 5.401 -8.222 255 HB2 LYS 36 1HB LYS 36 -4.590 4.130 -5.610 256 HB3 LYS 36 2HB LYS 36 -3.395 4.134 -6.901 257 HG2 LYS 36 1HG LYS 36 -4.045 6.702 -6.984 258 HG3 LYS 36 2HG LYS 36 -4.477 6.383 -5.303 259 HD2 LYS 36 1HD LYS 36 -2.279 6.943 -5.032 260 HD3 LYS 36 2HD LYS 36 -2.107 5.206 -5.294 261 HE2 LYS 36 1HE LYS 36 -2.073 7.017 -7.657 262 HE3 LYS 36 2HE LYS 36 -0.645 6.955 -6.625 263 HZ1 LYS 36 1HZ LYS 36 -0.175 5.295 -8.091 264 HZ2 LYS 36 2HZ LYS 36 -1.795 4.872 -8.334 265 HZ3 LYS 36 3HZ LYS 36 -0.999 4.392 -6.921 266 H ARG 37 H ARG 37 -7.036 2.642 -7.639 267 HA ARG 37 HA ARG 37 -5.273 0.891 -9.184 268 HB2 ARG 37 1HB ARG 37 -6.303 0.000 -7.125 269 HB3 ARG 37 2HB ARG 37 -7.898 0.282 -7.811 270 HG2 ARG 37 1HG ARG 37 -7.074 -1.245 -9.731 271 HG3 ARG 37 2HG ARG 37 -5.851 -1.756 -8.567 272 HD2 ARG 37 1HD ARG 37 -8.756 -1.723 -7.835 273 HD3 ARG 37 2HD ARG 37 -8.064 -3.081 -8.722 274 HE ARG 37 HE ARG 37 -6.627 -2.361 -6.328 275 HH11 ARG 37 2HH1 ARG 37 -9.189 -4.283 -7.692 276 HH12 ARG 37 1HH1 ARG 37 -9.162 -5.458 -6.419 277 HH21 ARG 37 2HH2 ARG 37 -6.582 -3.902 -4.646 278 HH22 ARG 37 1HH2 ARG 37 -7.679 -5.240 -4.687 279 H TYR 38 H TYR 38 -8.760 1.661 -9.182 280 HA TYR 38 HA TYR 38 -9.050 0.852 -11.916 281 HB2 TYR 38 1HB TYR 38 -10.887 2.110 -9.894 282 HB3 TYR 38 2HB TYR 38 -11.375 1.930 -11.576 283 HD1 TYR 38 1HD TYR 38 -9.816 -0.164 -8.892 284 HD2 TYR 38 2HD TYR 38 -12.627 0.066 -12.078 285 HE1 TYR 38 1HE TYR 38 -10.516 -2.477 -8.434 286 HE2 TYR 38 2HE TYR 38 -13.336 -2.245 -11.627 287 HH TYR 38 HH TYR 38 -12.850 -3.824 -8.923 288 H HIS 39 H HIS 39 -9.749 3.986 -10.360 289 HA HIS 39 HA HIS 39 -9.875 5.489 -12.694 290 HB2 HIS 39 1HB HIS 39 -9.008 6.375 -9.934 291 HB3 HIS 39 2HB HIS 39 -9.473 7.457 -11.243 292 HD1 HIS 39 1HD HIS 39 -12.041 6.423 -12.243 293 HD2 HIS 39 2HD HIS 39 -11.071 6.278 -8.206 294 HE1 HIS 39 1HE HIS 39 -14.237 6.253 -11.030 295 H ASP 40 H ASP 40 -7.185 4.019 -11.281 296 HA ASP 40 HA ASP 40 -5.417 5.372 -13.162 297 HB2 ASP 40 1HB ASP 40 -4.943 5.276 -10.181 298 HB3 ASP 40 2HB ASP 40 -3.663 5.592 -11.349 299 HA PRO 41 HA PRO 41 -4.417 1.033 -13.561 300 HB2 PRO 41 1HB PRO 41 -2.782 1.348 -15.705 301 HB3 PRO 41 2HB PRO 41 -4.545 1.361 -15.831 302 HG2 PRO 41 1HG PRO 41 -2.635 3.665 -15.739 303 HG3 PRO 41 2HG PRO 41 -4.056 3.429 -16.774 304 HD2 PRO 41 1HD PRO 41 -4.106 4.994 -14.565 305 HD3 PRO 41 2HD PRO 41 -5.524 4.083 -15.122 306 H ASN 42 H ASN 42 -2.605 3.509 -12.371 307 HA ASN 42 HA ASN 42 0.037 2.509 -12.573 308 HB2 ASN 42 1HB ASN 42 -1.144 4.313 -10.448 309 HB3 ASN 42 2HB ASN 42 0.570 4.098 -10.790 310 HD21 ASN 42 1HD2 ASN 42 1.397 4.868 -12.787 311 HD22 ASN 42 2HD2 ASN 42 0.599 6.145 -13.634 312 H PHE 43 H PHE 43 -2.234 2.478 -9.820 313 HA PHE 43 HA PHE 43 -0.652 0.726 -8.254 314 HB2 PHE 43 1HB PHE 43 -2.399 2.285 -7.360 315 HB3 PHE 43 2HB PHE 43 -3.627 1.211 -8.021 316 HD1 PHE 43 1HD PHE 43 -3.300 -1.336 -7.300 317 HD2 PHE 43 2HD PHE 43 -1.861 2.043 -5.149 318 HE1 PHE 43 1HE PHE 43 -3.235 -2.679 -5.240 319 HE2 PHE 43 2HE PHE 43 -1.793 0.705 -3.086 320 HZ PHE 43 HZ PHE 43 -2.480 -1.660 -3.129 321 H VAL 44 H VAL 44 -0.402 -1.400 -8.389 322 HA VAL 44 HA VAL 44 -2.518 -3.014 -9.635 323 HB VAL 44 HB VAL 44 -0.796 -2.666 -11.336 324 HG11 VAL 44 1HG1 VAL 44 1.442 -2.999 -11.042 325 HG12 VAL 44 2HG1 VAL 44 1.006 -2.507 -9.404 326 HG13 VAL 44 3HG1 VAL 44 1.209 -4.217 -9.788 327 HG21 VAL 44 1HG2 VAL 44 -1.684 -5.192 -10.335 328 HG22 VAL 44 2HG2 VAL 44 -1.367 -4.707 -12.001 329 HG23 VAL 44 3HG2 VAL 44 -0.066 -5.370 -11.013 330 HA PRO 45 HA PRO 45 -1.854 -5.241 -5.829 331 HB2 PRO 45 1HB PRO 45 -3.760 -7.121 -6.281 332 HB3 PRO 45 2HB PRO 45 -4.138 -5.478 -5.749 333 HG2 PRO 45 1HG PRO 45 -4.245 -6.650 -8.502 334 HG3 PRO 45 2HG PRO 45 -5.403 -5.575 -7.698 335 HD2 PRO 45 1HD PRO 45 -3.591 -4.678 -9.499 336 HD3 PRO 45 2HD PRO 45 -4.148 -3.691 -8.133 337 H ALA 46 H ALA 46 -1.043 -7.282 -5.196 338 HA ALA 46 HA ALA 46 0.592 -8.559 -7.185 339 HB1 ALA 46 1HB ALA 46 0.966 -10.109 -5.039 340 HB2 ALA 46 2HB ALA 46 1.768 -8.552 -5.250 341 HB3 ALA 46 3HB ALA 46 0.325 -8.671 -4.243 342 H ALA 47 H ALA 47 -0.326 -9.926 -8.578 343 HA ALA 47 HA ALA 47 -2.199 -11.939 -7.512 344 HB1 ALA 47 1HB ALA 47 -3.341 -10.353 -8.979 345 HB2 ALA 47 2HB ALA 47 -2.202 -10.725 -10.274 346 HB3 ALA 47 3HB ALA 47 -3.305 -11.969 -9.686 347 H PHE 48 H PHE 48 -1.064 -13.767 -7.318 348 HA PHE 48 HA PHE 48 0.562 -14.625 -9.621 349 HB2 PHE 48 1HB PHE 48 1.115 -15.137 -6.690 350 HB3 PHE 48 2HB PHE 48 2.046 -15.798 -8.030 351 HD1 PHE 48 2HD PHE 48 1.051 -12.632 -6.387 352 HD2 PHE 48 1HD PHE 48 3.791 -14.580 -8.998 353 HE1 PHE 48 2HE PHE 48 2.483 -10.632 -6.372 354 HE2 PHE 48 1HE PHE 48 5.228 -12.583 -8.986 355 HZ PHE 48 HZ PHE 48 4.574 -10.605 -7.673 356 H VAL 49 H VAL 49 -0.547 -16.176 -10.616 357 HA VAL 49 HA VAL 49 -2.115 -18.074 -9.022 358 HB VAL 49 HB VAL 49 -2.168 -17.359 -11.946 359 HG11 VAL 49 1HG1 VAL 49 -2.324 -19.807 -11.714 360 HG12 VAL 49 2HG1 VAL 49 -3.688 -19.599 -10.614 361 HG13 VAL 49 3HG1 VAL 49 -3.826 -19.090 -12.297 362 HG21 VAL 49 1HG2 VAL 49 -4.207 -17.234 -9.728 363 HG22 VAL 49 2HG2 VAL 49 -3.422 -15.873 -10.530 364 HG23 VAL 49 3HG2 VAL 49 -4.553 -16.890 -11.423 365 H CYS 50 H CYS 50 -1.609 -20.183 -8.878 366 HA CYS 50 HA CYS 50 0.928 -21.142 -9.346 367 HB2 CYS 50 1HB CYS 50 -1.084 -22.150 -8.007 368 HB3 CYS 50 2HB CYS 50 -1.411 -23.011 -9.507 369 H SER 51 H SER 51 1.352 -23.180 -10.766 370 HA SER 51 HA SER 51 0.333 -22.670 -13.483 371 HB2 SER 51 1HB SER 51 2.468 -22.811 -14.419 372 HB3 SER 51 2HB SER 51 2.766 -21.916 -12.929 373 HG SER 51 HG SER 51 3.018 -24.341 -12.179 374 H LYS 52 H LYS 52 0.942 -24.898 -10.994 375 HA LYS 52 HA LYS 52 0.979 -27.238 -12.702 376 HB2 LYS 52 1HB LYS 52 1.190 -26.735 -9.766 377 HB3 LYS 52 2HB LYS 52 0.702 -28.335 -10.309 378 HG2 LYS 52 1HG LYS 52 2.807 -28.133 -11.844 379 HG3 LYS 52 2HG LYS 52 3.302 -26.925 -10.656 380 HD2 LYS 52 1HD LYS 52 2.990 -28.594 -8.868 381 HD3 LYS 52 2HD LYS 52 2.567 -29.797 -10.088 382 HE2 LYS 52 1HE LYS 52 5.136 -28.326 -10.380 383 HE3 LYS 52 2HE LYS 52 5.027 -29.579 -9.145 384 HZ1 LYS 52 1HZ LYS 52 5.748 -30.127 -11.594 385 HZ2 LYS 52 2HZ LYS 52 4.077 -30.219 -11.838 386 HZ3 LYS 52 3HZ LYS 52 4.821 -31.216 -10.691 387 H CYS 53 H CYS 53 -1.255 -25.642 -10.471 388 HA CYS 53 HA CYS 53 -3.398 -27.397 -11.479 389 HB2 CYS 53 1HB CYS 53 -4.581 -26.951 -9.356 390 HB3 CYS 53 2HB CYS 53 -3.026 -27.737 -9.097 391 H GLY 54 H GLY 54 -2.707 -24.110 -10.300 392 HA2 GLY 54 1HA GLY 54 -3.370 -22.273 -11.809 393 HA3 GLY 54 2HA GLY 54 -4.870 -23.150 -12.072 394 H LYS 55 H LYS 55 -3.420 -22.949 -8.911 395 HA LYS 55 HA LYS 55 -5.796 -21.722 -7.855 396 HB2 LYS 55 1HB LYS 55 -3.303 -22.895 -6.734 397 HB3 LYS 55 2HB LYS 55 -4.167 -21.733 -5.735 398 HG2 LYS 55 1HG LYS 55 -6.168 -23.085 -5.830 399 HG3 LYS 55 2HG LYS 55 -5.378 -24.221 -6.926 400 HD2 LYS 55 1HD LYS 55 -3.667 -24.603 -5.117 401 HD3 LYS 55 2HD LYS 55 -4.707 -23.668 -4.041 402 HE2 LYS 55 1HE LYS 55 -5.615 -26.113 -5.549 403 HE3 LYS 55 2HE LYS 55 -4.997 -26.154 -3.899 404 HZ1 LYS 55 1HZ LYS 55 -6.959 -25.519 -3.127 405 HZ2 LYS 55 2HZ LYS 55 -7.596 -25.694 -4.684 406 HZ3 LYS 55 3HZ LYS 55 -7.024 -24.187 -4.169 407 H THR 56 H THR 56 -5.627 -19.845 -6.334 408 HA THR 56 HA THR 56 -3.881 -17.787 -7.510 409 HB THR 56 HB THR 56 -5.562 -16.175 -6.457 410 HG1 THR 56 1HG THR 56 -7.210 -17.025 -5.445 411 HG21 THR 56 1HG2 THR 56 -5.875 -17.867 -8.846 412 HG22 THR 56 2HG2 THR 56 -5.883 -16.110 -8.691 413 HG23 THR 56 3HG2 THR 56 -7.338 -17.035 -8.320 414 H PHE 57 H PHE 57 -2.557 -16.585 -6.241 415 HA PHE 57 HA PHE 57 -2.678 -17.021 -3.335 416 HB2 PHE 57 1HB PHE 57 -0.218 -17.080 -5.090 417 HB3 PHE 57 2HB PHE 57 -0.167 -16.994 -3.332 418 HD1 PHE 57 1HD PHE 57 -1.264 -19.082 -6.180 419 HD2 PHE 57 2HD PHE 57 -0.387 -18.925 -2.018 420 HE1 PHE 57 1HE PHE 57 -1.394 -21.536 -6.064 421 HE2 PHE 57 2HE PHE 57 -0.515 -21.379 -1.896 422 HZ PHE 57 HZ PHE 57 -1.018 -22.688 -3.920 423 H THR 58 H THR 58 -1.480 -15.355 -2.095 424 HA THR 58 HA THR 58 -2.034 -12.730 -3.225 425 HB THR 58 HB THR 58 -1.671 -11.870 -0.963 426 HG1 THR 58 1HG THR 58 -0.959 -14.570 -0.401 427 HG21 THR 58 1HG2 THR 58 -3.860 -12.383 -0.900 428 HG22 THR 58 2HG2 THR 58 -3.359 -13.721 0.133 429 HG23 THR 58 3HG2 THR 58 -3.601 -13.982 -1.594 430 H ARG 59 H ARG 59 0.692 -14.519 -1.831 431 HA ARG 59 HA ARG 59 2.501 -12.422 -2.828 432 HB2 ARG 59 1HB ARG 59 3.014 -14.538 -0.729 433 HB3 ARG 59 2HB ARG 59 4.149 -13.294 -1.233 434 HG2 ARG 59 1HG ARG 59 2.803 -11.572 -0.303 435 HG3 ARG 59 2HG ARG 59 1.464 -12.688 -0.025 436 HD2 ARG 59 1HD ARG 59 2.541 -12.329 2.069 437 HD3 ARG 59 2HD ARG 59 2.961 -13.954 1.531 438 HE ARG 59 HE ARG 59 5.149 -13.312 1.471 439 HH11 ARG 59 2HH1 ARG 59 3.147 -10.464 1.412 440 HH12 ARG 59 1HH1 ARG 59 4.481 -9.365 1.538 441 HH21 ARG 59 2HH2 ARG 59 6.913 -11.876 1.638 442 HH22 ARG 59 1HH2 ARG 59 6.623 -10.169 1.666 443 H ARG 60 H ARG 60 4.473 -13.068 -3.856 444 HA ARG 60 HA ARG 60 4.098 -15.273 -5.654 445 HB2 ARG 60 1HB ARG 60 5.165 -13.090 -6.285 446 HB3 ARG 60 2HB ARG 60 6.554 -13.548 -5.307 447 HG2 ARG 60 1HG ARG 60 5.640 -15.438 -7.406 448 HG3 ARG 60 2HG ARG 60 6.481 -13.970 -7.907 449 HD2 ARG 60 1HD ARG 60 8.261 -14.597 -6.202 450 HD3 ARG 60 2HD ARG 60 7.474 -16.173 -6.118 451 HE ARG 60 HE ARG 60 7.878 -15.900 -8.751 452 HH11 ARG 60 2HH1 ARG 60 9.987 -15.424 -6.022 453 HH12 ARG 60 1HH1 ARG 60 11.423 -15.857 -6.890 454 HH21 ARG 60 2HH2 ARG 60 9.761 -16.472 -9.904 455 HH22 ARG 60 1HH2 ARG 60 11.293 -16.452 -9.098 456 H ASN 61 H ASN 61 6.269 -14.544 -2.956 457 HA ASN 61 HA ASN 61 7.933 -16.779 -3.154 458 HB2 ASN 61 1HB ASN 61 7.169 -14.909 -0.959 459 HB3 ASN 61 2HB ASN 61 8.011 -16.394 -0.524 460 HD21 ASN 61 1HD2 ASN 61 9.912 -15.487 0.081 461 HD22 ASN 61 2HD2 ASN 61 10.972 -14.661 -1.005 462 H THR 62 H THR 62 4.898 -16.339 -1.369 463 HA THR 62 HA THR 62 4.826 -18.855 -0.137 464 HB THR 62 HB THR 62 2.497 -17.129 -1.000 465 HG1 THR 62 1HG THR 62 2.620 -16.483 1.252 466 HG21 THR 62 1HG2 THR 62 2.622 -19.732 0.261 467 HG22 THR 62 2HG2 THR 62 1.222 -18.835 -0.328 468 HG23 THR 62 3HG2 THR 62 1.832 -18.549 1.302 469 H MET 63 H MET 63 3.291 -17.759 -3.161 470 HA MET 63 HA MET 63 2.090 -20.162 -3.877 471 HB2 MET 63 1HB MET 63 1.660 -18.009 -5.000 472 HB3 MET 63 2HB MET 63 3.264 -18.069 -5.717 473 HG2 MET 63 1HG MET 63 1.391 -20.334 -6.177 474 HG3 MET 63 2HG MET 63 1.155 -18.828 -7.060 475 HE1 MET 63 1HE MET 63 2.910 -17.637 -8.290 476 HE2 MET 63 2HE MET 63 4.115 -18.435 -9.300 477 HE3 MET 63 3HE MET 63 2.396 -18.695 -9.604 478 H ALA 64 H ALA 64 5.265 -18.906 -4.907 479 HA ALA 64 HA ALA 64 6.139 -20.945 -6.494 480 HB1 ALA 64 1HB ALA 64 8.460 -20.401 -5.459 481 HB2 ALA 64 2HB ALA 64 7.595 -19.158 -6.365 482 HB3 ALA 64 3HB ALA 64 7.579 -19.137 -4.601 483 H ARG 65 H ARG 65 6.303 -20.821 -2.949 484 HA ARG 65 HA ARG 65 7.651 -23.255 -2.578 485 HB2 ARG 65 1HB ARG 65 5.731 -21.765 -0.785 486 HB3 ARG 65 2HB ARG 65 6.648 -23.175 -0.273 487 HG2 ARG 65 1HG ARG 65 8.736 -21.967 -0.742 488 HG3 ARG 65 2HG ARG 65 7.790 -20.546 -1.194 489 HD2 ARG 65 1HD ARG 65 6.987 -20.258 1.004 490 HD3 ARG 65 2HD ARG 65 7.518 -21.867 1.491 491 HE ARG 65 HE ARG 65 9.662 -20.139 0.664 492 HH11 ARG 65 2HH1 ARG 65 7.644 -21.135 3.320 493 HH12 ARG 65 1HH1 ARG 65 8.785 -20.661 4.535 494 HH21 ARG 65 2HH2 ARG 65 11.172 -19.511 2.254 495 HH22 ARG 65 1HH2 ARG 65 10.790 -19.736 3.927 496 H HIS 66 H HIS 66 4.189 -22.501 -2.699 497 HA HIS 66 HA HIS 66 3.200 -25.033 -2.071 498 HB2 HIS 66 1HB HIS 66 1.557 -23.404 -2.079 499 HB3 HIS 66 2HB HIS 66 2.129 -22.685 -3.582 500 HD1 HIS 66 1HD HIS 66 0.195 -25.689 -2.342 501 HD2 HIS 66 2HD HIS 66 0.839 -23.542 -5.840 502 HE1 HIS 66 1HE HIS 66 -1.438 -26.621 -4.012 503 H ALA 67 H ALA 67 3.985 -23.628 -5.238 504 HA ALA 67 HA ALA 67 3.163 -25.556 -6.962 505 HB1 ALA 67 1HB ALA 67 5.738 -23.995 -7.014 506 HB2 ALA 67 2HB ALA 67 5.158 -24.972 -8.364 507 HB3 ALA 67 3HB ALA 67 4.213 -23.592 -7.804 508 H ASP 68 H ASP 68 6.142 -25.630 -5.037 509 HA ASP 68 HA ASP 68 7.242 -27.977 -6.051 510 HB2 ASP 68 1HB ASP 68 8.728 -26.915 -4.666 511 HB3 ASP 68 2HB ASP 68 7.486 -26.467 -3.500 512 H ASN 69 H ASN 69 5.054 -27.555 -3.276 513 HA ASN 69 HA ASN 69 4.771 -30.420 -2.967 514 HB2 ASN 69 1HB ASN 69 3.278 -28.206 -1.546 515 HB3 ASN 69 2HB ASN 69 3.378 -29.895 -1.055 516 HD21 ASN 69 1HD2 ASN 69 4.265 -27.176 0.063 517 HD22 ASN 69 2HD2 ASN 69 5.883 -27.475 0.590 518 H CYS 70 H CYS 70 3.529 -28.270 -5.084 519 HA CYS 70 HA CYS 70 0.767 -29.074 -5.058 520 HB2 CYS 70 1HB CYS 70 1.391 -26.848 -5.851 521 HB3 CYS 70 2HB CYS 70 2.371 -27.560 -7.130 522 H ALA 71 H ALA 71 -0.230 -30.585 -6.292 523 HA ALA 71 HA ALA 71 1.453 -32.141 -8.146 524 HB1 ALA 71 1HB ALA 71 0.879 -34.109 -7.211 525 HB2 ALA 71 2HB ALA 71 0.602 -33.112 -5.783 526 HB3 ALA 71 3HB ALA 71 -0.753 -33.569 -6.815 527 H GLY 72 H GLY 72 -0.074 -30.007 -9.028 528 HA2 GLY 72 1HA GLY 72 -1.403 -29.663 -10.904 529 HA3 GLY 72 2HA GLY 72 -1.838 -31.365 -10.874 530 HA PRO 73 HA PRO 73 -5.457 -28.760 -9.466 531 HB2 PRO 73 1HB PRO 73 -7.218 -29.743 -11.283 532 HB3 PRO 73 2HB PRO 73 -6.180 -28.351 -11.608 533 HG2 PRO 73 1HG PRO 73 -5.821 -31.211 -12.416 534 HG3 PRO 73 2HG PRO 73 -5.561 -29.738 -13.369 535 HD2 PRO 73 1HD PRO 73 -3.528 -31.107 -12.218 536 HD3 PRO 73 2HD PRO 73 -3.494 -29.344 -12.428 537 H ASP 74 H ASP 74 -7.558 -29.570 -8.669 538 HA ASP 74 HA ASP 74 -7.629 -32.461 -8.186 539 HB2 ASP 74 1HB ASP 74 -8.044 -32.167 -5.821 540 HB3 ASP 74 2HB ASP 74 -6.534 -31.361 -6.239 541 H GLY 75 H GLY 75 -9.671 -33.336 -7.955 542 HA2 GLY 75 1HA GLY 75 -11.821 -31.736 -9.025 543 HA3 GLY 75 2HA GLY 75 -11.891 -33.445 -8.619 544 H VAL 76 H VAL 76 -13.928 -33.162 -7.637 545 HA VAL 76 HA VAL 76 -15.409 -32.662 -5.969 546 HB VAL 76 HB VAL 76 -13.009 -32.783 -4.149 547 HG11 VAL 76 1HG1 VAL 76 -15.559 -32.272 -3.508 548 HG12 VAL 76 2HG1 VAL 76 -15.599 -34.036 -3.474 549 HG13 VAL 76 3HG1 VAL 76 -14.460 -33.159 -2.452 550 HG21 VAL 76 1HG2 VAL 76 -12.849 -35.048 -4.343 551 HG22 VAL 76 2HG2 VAL 76 -14.539 -35.241 -4.809 552 HG23 VAL 76 3HG2 VAL 76 -13.360 -34.664 -5.987 553 H GLU 77 H GLU 77 -14.762 -30.374 -7.239 554 HA GLU 77 HA GLU 77 -14.217 -28.418 -5.111 555 HB2 GLU 77 1HB GLU 77 -13.736 -26.824 -6.920 556 HB3 GLU 77 2HB GLU 77 -12.709 -28.248 -7.016 557 HG2 GLU 77 1HG GLU 77 -13.283 -28.070 -9.198 558 HG3 GLU 77 2HG GLU 77 -14.621 -29.074 -8.642 559 H GLY 78 H GLY 78 -15.517 -26.489 -5.017 560 HA2 GLY 78 1HA GLY 78 -18.007 -26.415 -6.490 561 HA3 GLY 78 2HA GLY 78 -18.188 -26.801 -4.785 562 H GLU 79 H GLU 79 -16.310 -24.464 -6.723 563 HA GLU 79 HA GLU 79 -16.884 -22.424 -4.706 564 HB2 GLU 79 1HB GLU 79 -14.869 -22.644 -6.924 565 HB3 GLU 79 2HB GLU 79 -15.215 -21.094 -6.171 566 HG2 GLU 79 1HG GLU 79 -14.335 -23.538 -4.656 567 HG3 GLU 79 2HG GLU 79 -13.240 -22.288 -5.243 568 H ASN 80 H ASN 80 -17.715 -20.370 -5.269 569 HA ASN 80 HA ASN 80 -18.762 -19.950 -7.935 570 HB2 ASN 80 1HB ASN 80 -20.477 -21.348 -6.694 571 HB3 ASN 80 2HB ASN 80 -20.696 -19.973 -5.616 572 HD21 ASN 80 1HD2 ASN 80 -20.465 -20.540 -9.115 573 HD22 ASN 80 2HD2 ASN 80 -21.835 -19.573 -9.531 574 H SER 81 H SER 81 -19.993 -17.807 -8.012 575 HA SER 81 HA SER 81 -18.849 -15.909 -6.073 576 HB2 SER 81 1HB SER 81 -18.908 -15.721 -9.082 577 HB3 SER 81 2HB SER 81 -18.718 -14.295 -8.062 578 HG SER 81 HG SER 81 -16.679 -14.945 -8.440 579 H GLY 82 H GLY 82 -19.969 -13.681 -6.342 580 HA2 GLY 82 1HA GLY 82 -22.472 -13.283 -7.391 581 HA3 GLY 82 2HA GLY 82 -22.762 -14.109 -5.868 582 HA PRO 83 HA PRO 83 -21.846 -9.405 -5.432 583 HB2 PRO 83 1HB PRO 83 -24.350 -8.374 -5.627 584 HB3 PRO 83 2HB PRO 83 -23.266 -8.534 -7.014 585 HG2 PRO 83 1HG PRO 83 -25.520 -10.308 -6.157 586 HG3 PRO 83 2HG PRO 83 -25.093 -9.749 -7.785 587 HD2 PRO 83 1HD PRO 83 -24.452 -12.218 -6.878 588 HD3 PRO 83 2HD PRO 83 -23.434 -11.330 -8.029 589 H SER 84 H SER 84 -21.845 -8.645 -3.395 590 HA SER 84 HA SER 84 -23.500 -10.029 -1.423 591 HB2 SER 84 1HB SER 84 -21.961 -9.147 0.241 592 HB3 SER 84 2HB SER 84 -21.042 -9.894 -1.066 593 HG SER 84 HG SER 84 -21.591 -7.116 -0.884 594 H SER 85 H SER 85 -24.192 -8.611 0.490 595 HA SER 85 HA SER 85 -25.088 -5.962 -0.398 596 HB2 SER 85 1HB SER 85 -26.803 -8.263 0.449 597 HB3 SER 85 2HB SER 85 -27.303 -6.628 0.882 598 HG SER 85 HG SER 85 -26.909 -6.195 -1.469 599 H GLY 86 H GLY 86 -25.253 -4.431 1.204 600 HA2 GLY 86 1HA GLY 86 -25.360 -3.668 3.441 601 HA3 GLY 86 2HA GLY 86 -24.886 -5.271 3.985 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -8.451 -10.629 18.081 2 HA2 GLY 1 1HA GLY 1 -9.289 -9.966 20.364 3 HA3 GLY 1 2HA GLY 1 -9.886 -8.518 19.568 4 H SER 2 H SER 2 -11.614 -8.716 18.046 5 HA SER 2 HA SER 2 -13.064 -11.261 18.097 6 HB2 SER 2 1HB SER 2 -13.958 -9.809 19.921 7 HB3 SER 2 2HB SER 2 -14.376 -8.602 18.706 8 HG SER 2 HG SER 2 -15.320 -11.276 18.665 9 H SER 3 H SER 3 -13.564 -11.826 16.095 10 HA SER 3 HA SER 3 -14.381 -9.773 14.176 11 HB2 SER 3 1HB SER 3 -12.878 -10.480 12.480 12 HB3 SER 3 2HB SER 3 -11.895 -10.316 13.935 13 HG SER 3 HG SER 3 -12.378 -12.670 14.190 14 H GLY 4 H GLY 4 -15.600 -10.591 12.383 15 HA2 GLY 4 1HA GLY 4 -16.466 -13.383 12.571 16 HA3 GLY 4 2HA GLY 4 -17.689 -12.134 12.748 17 H SER 5 H SER 5 -14.930 -12.686 10.554 18 HA SER 5 HA SER 5 -15.867 -11.407 8.334 19 HB2 SER 5 1HB SER 5 -13.631 -12.452 8.500 20 HB3 SER 5 2HB SER 5 -14.374 -14.042 8.332 21 HG SER 5 HG SER 5 -14.849 -12.061 6.396 22 H SER 6 H SER 6 -16.598 -14.732 9.322 23 HA SER 6 HA SER 6 -18.548 -14.947 7.147 24 HB2 SER 6 1HB SER 6 -16.969 -16.814 7.422 25 HB3 SER 6 2HB SER 6 -17.537 -17.054 9.075 26 HG SER 6 HG SER 6 -18.957 -17.442 6.658 27 H GLY 7 H GLY 7 -20.101 -13.514 8.056 28 HA2 GLY 7 1HA GLY 7 -21.546 -14.673 10.361 29 HA3 GLY 7 2HA GLY 7 -21.400 -12.941 10.101 30 H ARG 8 H ARG 8 -22.661 -11.932 8.533 31 HA ARG 8 HA ARG 8 -24.954 -13.536 7.639 32 HB2 ARG 8 1HB ARG 8 -24.609 -10.593 8.176 33 HB3 ARG 8 2HB ARG 8 -25.987 -11.218 7.280 34 HG2 ARG 8 1HG ARG 8 -26.858 -12.313 9.129 35 HG3 ARG 8 2HG ARG 8 -25.312 -12.310 9.980 36 HD2 ARG 8 1HD ARG 8 -25.499 -9.811 10.109 37 HD3 ARG 8 2HD ARG 8 -27.137 -9.967 9.475 38 HE ARG 8 HE ARG 8 -26.598 -11.549 11.828 39 HH11 ARG 8 2HH1 ARG 8 -27.705 -8.492 10.584 40 HH12 ARG 8 1HH1 ARG 8 -28.602 -8.088 12.010 41 HH21 ARG 8 2HH2 ARG 8 -27.776 -11.029 13.711 42 HH22 ARG 8 1HH2 ARG 8 -28.641 -9.531 13.789 43 H THR 9 H THR 9 -25.995 -12.470 5.574 44 HA THR 9 HA THR 9 -23.849 -12.317 3.566 45 HB THR 9 HB THR 9 -25.613 -13.000 1.927 46 HG1 THR 9 1HG THR 9 -27.246 -13.980 3.936 47 HG21 THR 9 1HG2 THR 9 -25.290 -15.241 2.316 48 HG22 THR 9 2HG2 THR 9 -25.583 -15.094 4.049 49 HG23 THR 9 3HG2 THR 9 -24.047 -14.562 3.365 50 H HIS 10 H HIS 10 -26.981 -10.928 4.478 51 HA HIS 10 HA HIS 10 -26.804 -8.859 2.475 52 HB2 HIS 10 1HB HIS 10 -28.821 -7.984 3.948 53 HB3 HIS 10 2HB HIS 10 -29.020 -9.345 2.848 54 HD1 HIS 10 1HD HIS 10 -29.783 -11.505 3.850 55 HD2 HIS 10 2HD HIS 10 -28.493 -8.794 6.722 56 HE1 HIS 10 1HE HIS 10 -30.363 -12.546 6.065 57 H THR 11 H THR 11 -24.720 -8.015 3.168 58 HA THR 11 HA THR 11 -25.046 -6.025 5.305 59 HB THR 11 HB THR 11 -22.579 -7.729 4.901 60 HG1 THR 11 1HG THR 11 -23.415 -8.938 6.416 61 HG21 THR 11 1HG2 THR 11 -22.975 -5.844 7.186 62 HG22 THR 11 2HG2 THR 11 -22.405 -5.219 5.639 63 HG23 THR 11 3HG2 THR 11 -21.479 -6.459 6.484 64 H GLY 12 H GLY 12 -24.246 -4.032 4.856 65 HA2 GLY 12 1HA GLY 12 -22.227 -3.559 2.891 66 HA3 GLY 12 2HA GLY 12 -23.828 -3.186 2.270 67 H GLU 13 H GLU 13 -24.325 -1.112 2.409 68 HA GLU 13 HA GLU 13 -24.368 1.063 3.079 69 HB2 GLU 13 1HB GLU 13 -25.403 -0.300 5.080 70 HB3 GLU 13 2HB GLU 13 -23.942 0.210 5.914 71 HG2 GLU 13 1HG GLU 13 -26.135 1.915 4.789 72 HG3 GLU 13 2HG GLU 13 -25.576 1.800 6.456 73 H LYS 14 H LYS 14 -21.872 0.187 2.241 74 HA LYS 14 HA LYS 14 -19.723 0.637 3.937 75 HB2 LYS 14 1HB LYS 14 -19.966 1.189 0.976 76 HB3 LYS 14 2HB LYS 14 -18.447 1.188 1.861 77 HG2 LYS 14 1HG LYS 14 -18.385 -1.072 2.033 78 HG3 LYS 14 2HG LYS 14 -20.142 -1.228 2.088 79 HD2 LYS 14 1HD LYS 14 -20.351 -1.142 -0.215 80 HD3 LYS 14 2HD LYS 14 -18.809 -0.311 -0.426 81 HE2 LYS 14 1HE LYS 14 -17.849 -2.547 0.577 82 HE3 LYS 14 2HE LYS 14 -19.373 -3.208 -0.013 83 HZ1 LYS 14 1HZ LYS 14 -18.391 -1.671 -2.072 84 HZ2 LYS 14 2HZ LYS 14 -18.405 -3.360 -1.987 85 HZ3 LYS 14 3HZ LYS 14 -17.042 -2.499 -1.474 86 HA PRO 15 HA PRO 15 -20.339 4.981 4.783 87 HB2 PRO 15 1HB PRO 15 -18.225 5.217 6.470 88 HB3 PRO 15 2HB PRO 15 -19.762 4.490 6.952 89 HG2 PRO 15 1HG PRO 15 -17.217 3.156 6.112 90 HG3 PRO 15 2HG PRO 15 -18.314 2.737 7.441 91 HD2 PRO 15 1HD PRO 15 -18.325 1.423 5.073 92 HD3 PRO 15 2HD PRO 15 -19.793 1.652 6.045 93 H TYR 16 H TYR 16 -17.255 3.520 3.858 94 HA TYR 16 HA TYR 16 -16.039 6.006 3.122 95 HB2 TYR 16 1HB TYR 16 -15.213 3.212 2.315 96 HB3 TYR 16 2HB TYR 16 -14.211 4.658 2.287 97 HD1 TYR 16 2HD TYR 16 -15.967 2.294 4.535 98 HD2 TYR 16 1HD TYR 16 -13.032 5.358 4.211 99 HE1 TYR 16 2HE TYR 16 -15.219 1.812 6.828 100 HE2 TYR 16 1HE TYR 16 -12.276 4.884 6.502 101 HH TYR 16 HH TYR 16 -12.458 3.516 8.256 102 H ALA 17 H ALA 17 -16.961 7.131 1.517 103 HA ALA 17 HA ALA 17 -17.548 5.709 -0.998 104 HB1 ALA 17 1HB ALA 17 -19.121 7.679 -1.418 105 HB2 ALA 17 2HB ALA 17 -19.619 6.478 -0.226 106 HB3 ALA 17 3HB ALA 17 -18.950 8.021 0.304 107 H CYS 18 H CYS 18 -16.063 6.121 -2.488 108 HA CYS 18 HA CYS 18 -14.065 7.993 -2.419 109 HB2 CYS 18 1HB CYS 18 -14.341 6.044 -4.032 110 HB3 CYS 18 2HB CYS 18 -15.365 7.105 -4.994 111 H SER 19 H SER 19 -13.721 10.034 -3.314 112 HA SER 19 HA SER 19 -16.121 11.669 -3.491 113 HB2 SER 19 1HB SER 19 -14.563 13.578 -3.398 114 HB3 SER 19 2HB SER 19 -14.280 12.450 -2.072 115 HG SER 19 HG SER 19 -12.472 13.324 -3.634 116 H HIS 20 H HIS 20 -13.206 11.036 -5.430 117 HA HIS 20 HA HIS 20 -13.839 12.609 -7.634 118 HB2 HIS 20 1HB HIS 20 -12.285 10.023 -7.461 119 HB3 HIS 20 2HB HIS 20 -12.367 11.011 -8.916 120 HD1 HIS 20 1HD HIS 20 -11.931 12.335 -5.401 121 HD2 HIS 20 2HD HIS 20 -9.791 11.941 -8.940 122 HE1 HIS 20 1HE HIS 20 -9.799 13.621 -5.044 123 H CYS 21 H CYS 21 -14.870 9.351 -6.799 124 HA CYS 21 HA CYS 21 -16.777 9.459 -9.039 125 HB2 CYS 21 1HB CYS 21 -16.513 7.082 -9.410 126 HB3 CYS 21 2HB CYS 21 -14.934 7.856 -9.505 127 H ASP 22 H ASP 22 -18.394 7.439 -8.610 128 HA ASP 22 HA ASP 22 -19.502 7.975 -5.944 129 HB2 ASP 22 1HB ASP 22 -20.826 8.399 -8.119 130 HB3 ASP 22 2HB ASP 22 -20.984 6.647 -8.201 131 H LYS 23 H LYS 23 -17.421 6.249 -5.867 132 HA LYS 23 HA LYS 23 -18.615 3.566 -5.752 133 HB2 LYS 23 1HB LYS 23 -15.778 4.535 -5.978 134 HB3 LYS 23 2HB LYS 23 -16.136 2.899 -5.441 135 HG2 LYS 23 1HG LYS 23 -17.420 3.830 -7.945 136 HG3 LYS 23 2HG LYS 23 -15.687 3.493 -7.982 137 HD2 LYS 23 1HD LYS 23 -17.421 1.477 -6.677 138 HD3 LYS 23 2HD LYS 23 -17.541 1.619 -8.432 139 HE2 LYS 23 1HE LYS 23 -15.386 0.915 -8.771 140 HE3 LYS 23 2HE LYS 23 -14.835 1.494 -7.200 141 HZ1 LYS 23 1HZ LYS 23 -16.730 -0.755 -7.366 142 HZ2 LYS 23 2HZ LYS 23 -15.632 -0.374 -6.137 143 HZ3 LYS 23 3HZ LYS 23 -15.075 -1.024 -7.596 144 H THR 24 H THR 24 -18.342 2.269 -3.894 145 HA THR 24 HA THR 24 -17.552 3.715 -1.455 146 HB THR 24 HB THR 24 -19.385 2.654 -0.223 147 HG1 THR 24 1HG THR 24 -20.617 1.869 -2.623 148 HG21 THR 24 1HG2 THR 24 -21.218 3.743 -2.018 149 HG22 THR 24 2HG2 THR 24 -19.717 4.617 -2.323 150 HG23 THR 24 3HG2 THR 24 -20.404 4.583 -0.699 151 H PHE 25 H PHE 25 -16.897 2.355 0.323 152 HA PHE 25 HA PHE 25 -16.369 -0.444 -0.246 153 HB2 PHE 25 1HB PHE 25 -14.059 1.332 0.530 154 HB3 PHE 25 2HB PHE 25 -14.009 -0.344 -0.005 155 HD1 PHE 25 1HD PHE 25 -14.839 3.087 -1.150 156 HD2 PHE 25 2HD PHE 25 -13.671 -0.856 -2.247 157 HE1 PHE 25 1HE PHE 25 -14.470 3.843 -3.462 158 HE2 PHE 25 2HE PHE 25 -13.298 -0.106 -4.560 159 HZ PHE 25 HZ PHE 25 -13.697 2.246 -5.170 160 H ARG 26 H ARG 26 -16.010 -1.688 1.593 161 HA ARG 26 HA ARG 26 -17.183 -0.767 3.976 162 HB2 ARG 26 1HB ARG 26 -16.836 -3.191 3.061 163 HB3 ARG 26 2HB ARG 26 -15.313 -3.108 3.937 164 HG2 ARG 26 1HG ARG 26 -16.503 -2.684 6.010 165 HG3 ARG 26 2HG ARG 26 -18.041 -2.699 5.144 166 HD2 ARG 26 1HD ARG 26 -17.543 -5.040 4.446 167 HD3 ARG 26 2HD ARG 26 -16.119 -4.996 5.486 168 HE ARG 26 HE ARG 26 -18.184 -4.289 7.124 169 HH11 ARG 26 2HH1 ARG 26 -17.505 -7.001 5.050 170 HH12 ARG 26 1HH1 ARG 26 -18.396 -8.130 6.016 171 HH21 ARG 26 2HH2 ARG 26 -19.360 -5.765 8.404 172 HH22 ARG 26 1HH2 ARG 26 -19.452 -7.426 7.923 173 H GLN 27 H GLN 27 -13.781 -1.651 3.351 174 HA GLN 27 HA GLN 27 -13.003 -0.069 5.694 175 HB2 GLN 27 1HB GLN 27 -11.446 -2.101 4.087 176 HB3 GLN 27 2HB GLN 27 -10.822 -1.231 5.483 177 HG2 GLN 27 1HG GLN 27 -13.327 -2.820 5.755 178 HG3 GLN 27 2HG GLN 27 -11.770 -3.647 5.731 179 HE21 GLN 27 1HE2 GLN 27 -10.099 -2.419 7.182 180 HE22 GLN 27 2HE2 GLN 27 -10.662 -2.069 8.777 181 H LYS 28 H LYS 28 -11.294 1.447 5.575 182 HA LYS 28 HA LYS 28 -11.358 3.130 3.328 183 HB2 LYS 28 1HB LYS 28 -9.659 4.424 4.432 184 HB3 LYS 28 2HB LYS 28 -10.786 3.841 5.650 185 HG2 LYS 28 1HG LYS 28 -8.836 3.383 6.710 186 HG3 LYS 28 2HG LYS 28 -9.021 1.874 5.812 187 HD2 LYS 28 1HD LYS 28 -7.482 2.581 4.145 188 HD3 LYS 28 2HD LYS 28 -7.471 4.234 4.763 189 HE2 LYS 28 1HE LYS 28 -6.644 2.008 6.566 190 HE3 LYS 28 2HE LYS 28 -5.521 2.560 5.324 191 HZ1 LYS 28 1HZ LYS 28 -5.592 4.761 6.222 192 HZ2 LYS 28 2HZ LYS 28 -5.239 3.690 7.482 193 HZ3 LYS 28 3HZ LYS 28 -6.795 4.336 7.333 194 H GLN 29 H GLN 29 -9.280 0.467 4.188 195 HA GLN 29 HA GLN 29 -7.084 0.952 2.557 196 HB2 GLN 29 1HB GLN 29 -7.294 -0.887 4.240 197 HB3 GLN 29 2HB GLN 29 -8.321 -1.750 3.104 198 HG2 GLN 29 1HG GLN 29 -6.251 -2.714 2.773 199 HG3 GLN 29 2HG GLN 29 -6.343 -1.524 1.476 200 HE21 GLN 29 1HE2 GLN 29 -4.344 -2.795 3.688 201 HE22 GLN 29 2HE2 GLN 29 -3.268 -1.466 3.935 202 H LEU 30 H LEU 30 -10.178 -0.581 1.778 203 HA LEU 30 HA LEU 30 -9.510 -1.305 -0.872 204 HB2 LEU 30 1HB LEU 30 -12.103 -0.894 0.577 205 HB3 LEU 30 2HB LEU 30 -12.067 -1.277 -1.143 206 HG LEU 30 HG LEU 30 -12.464 -3.306 0.014 207 HD11 LEU 30 1HD1 LEU 30 -10.729 -4.657 -0.784 208 HD12 LEU 30 2HD1 LEU 30 -9.515 -3.403 -0.533 209 HD13 LEU 30 3HD1 LEU 30 -10.700 -3.237 -1.829 210 HD21 LEU 30 1HD2 LEU 30 -11.834 -2.772 2.237 211 HD22 LEU 30 2HD2 LEU 30 -10.157 -2.489 1.768 212 HD23 LEU 30 3HD2 LEU 30 -10.818 -4.124 1.736 213 H LEU 31 H LEU 31 -11.242 1.498 0.461 214 HA LEU 31 HA LEU 31 -11.681 2.752 -2.042 215 HB2 LEU 31 1HB LEU 31 -13.079 3.398 -0.264 216 HB3 LEU 31 2HB LEU 31 -11.711 3.727 0.797 217 HG LEU 31 HG LEU 31 -11.160 5.713 -0.501 218 HD11 LEU 31 1HD1 LEU 31 -12.546 4.501 -2.539 219 HD12 LEU 31 2HD1 LEU 31 -11.978 6.170 -2.525 220 HD13 LEU 31 3HD1 LEU 31 -13.632 5.798 -2.038 221 HD21 LEU 31 1HD2 LEU 31 -12.955 7.089 0.221 222 HD22 LEU 31 2HD2 LEU 31 -12.826 5.767 1.382 223 HD23 LEU 31 3HD2 LEU 31 -14.097 5.747 0.159 224 H ASP 32 H ASP 32 -8.960 2.563 0.056 225 HA ASP 32 HA ASP 32 -7.647 4.926 -0.926 226 HB2 ASP 32 1HB ASP 32 -7.295 3.805 1.355 227 HB3 ASP 32 2HB ASP 32 -6.305 2.631 0.492 228 H MET 33 H MET 33 -7.347 1.435 -1.472 229 HA MET 33 HA MET 33 -5.222 1.712 -3.369 230 HB2 MET 33 1HB MET 33 -5.567 -0.681 -3.786 231 HB3 MET 33 2HB MET 33 -5.477 -0.336 -2.064 232 HG2 MET 33 1HG MET 33 -7.996 -0.328 -2.055 233 HG3 MET 33 2HG MET 33 -7.916 -0.970 -3.694 234 HE1 MET 33 1HE MET 33 -7.215 -4.469 -3.524 235 HE2 MET 33 2HE MET 33 -8.835 -3.800 -3.321 236 HE3 MET 33 3HE MET 33 -7.674 -2.995 -4.379 237 H HIS 34 H HIS 34 -8.718 1.480 -3.529 238 HA HIS 34 HA HIS 34 -9.045 0.919 -6.238 239 HB2 HIS 34 1HB HIS 34 -11.058 0.825 -5.152 240 HB3 HIS 34 2HB HIS 34 -10.698 2.219 -4.137 241 HD1 HIS 34 1HD HIS 34 -12.103 1.285 -7.477 242 HD2 HIS 34 2HD HIS 34 -11.481 4.689 -5.179 243 HE1 HIS 34 1HE HIS 34 -13.404 3.111 -8.615 244 H PHE 35 H PHE 35 -8.613 4.027 -4.598 245 HA PHE 35 HA PHE 35 -8.951 5.655 -6.872 246 HB2 PHE 35 1HB PHE 35 -9.055 6.544 -4.589 247 HB3 PHE 35 2HB PHE 35 -7.347 6.183 -4.362 248 HD1 PHE 35 2HD PHE 35 -5.732 7.289 -6.101 249 HD2 PHE 35 1HD PHE 35 -9.674 8.655 -5.256 250 HE1 PHE 35 2HE PHE 35 -5.146 9.511 -6.977 251 HE2 PHE 35 1HE PHE 35 -9.094 10.880 -6.132 252 HZ PHE 35 HZ PHE 35 -6.828 11.311 -6.993 253 H LYS 36 H LYS 36 -5.939 4.686 -5.224 254 HA LYS 36 HA LYS 36 -4.237 5.672 -7.258 255 HB2 LYS 36 1HB LYS 36 -3.796 3.683 -5.032 256 HB3 LYS 36 2HB LYS 36 -2.513 4.195 -6.120 257 HG2 LYS 36 1HG LYS 36 -3.214 6.589 -5.385 258 HG3 LYS 36 2HG LYS 36 -3.941 5.749 -4.013 259 HD2 LYS 36 1HD LYS 36 -1.921 5.106 -3.162 260 HD3 LYS 36 2HD LYS 36 -1.147 5.051 -4.748 261 HE2 LYS 36 1HE LYS 36 -0.151 6.923 -3.911 262 HE3 LYS 36 2HE LYS 36 -1.576 7.660 -4.642 263 HZ1 LYS 36 1HZ LYS 36 -0.875 8.159 -2.171 264 HZ2 LYS 36 2HZ LYS 36 -1.781 6.764 -1.866 265 HZ3 LYS 36 3HZ LYS 36 -2.502 8.091 -2.630 266 H ARG 37 H ARG 37 -6.328 3.107 -7.316 267 HA ARG 37 HA ARG 37 -4.656 1.439 -9.042 268 HB2 ARG 37 1HB ARG 37 -5.873 0.221 -7.366 269 HB3 ARG 37 2HB ARG 37 -7.381 1.002 -7.821 270 HG2 ARG 37 1HG ARG 37 -7.229 -0.108 -10.034 271 HG3 ARG 37 2HG ARG 37 -5.805 -0.974 -9.453 272 HD2 ARG 37 1HD ARG 37 -7.266 -1.788 -7.542 273 HD3 ARG 37 2HD ARG 37 -8.637 -1.166 -8.460 274 HE ARG 37 HE ARG 37 -7.324 -2.760 -10.231 275 HH11 ARG 37 2HH1 ARG 37 -8.615 -3.217 -7.031 276 HH12 ARG 37 1HH1 ARG 37 -8.964 -4.897 -7.270 277 HH21 ARG 37 2HH2 ARG 37 -7.779 -4.971 -10.558 278 HH22 ARG 37 1HH2 ARG 37 -8.487 -5.894 -9.276 279 H TYR 38 H TYR 38 -8.013 2.653 -9.132 280 HA TYR 38 HA TYR 38 -8.174 2.372 -11.972 281 HB2 TYR 38 1HB TYR 38 -9.967 3.560 -9.873 282 HB3 TYR 38 2HB TYR 38 -10.330 3.759 -11.584 283 HD1 TYR 38 1HD TYR 38 -9.441 1.046 -9.168 284 HD2 TYR 38 2HD TYR 38 -11.711 2.200 -12.576 285 HE1 TYR 38 1HE TYR 38 -10.524 -1.163 -9.187 286 HE2 TYR 38 2HE TYR 38 -12.801 -0.004 -12.604 287 HH TYR 38 HH TYR 38 -12.478 -2.227 -11.819 288 H HIS 39 H HIS 39 -8.565 5.301 -9.974 289 HA HIS 39 HA HIS 39 -8.240 7.141 -12.028 290 HB2 HIS 39 1HB HIS 39 -7.500 7.482 -9.114 291 HB3 HIS 39 2HB HIS 39 -7.758 8.788 -10.267 292 HD1 HIS 39 1HD HIS 39 -10.354 8.192 -11.538 293 HD2 HIS 39 2HD HIS 39 -9.667 7.407 -7.517 294 HE1 HIS 39 1HE HIS 39 -12.630 8.115 -10.470 295 H ASP 40 H ASP 40 -5.923 5.119 -10.581 296 HA ASP 40 HA ASP 40 -3.801 6.466 -12.078 297 HB2 ASP 40 1HB ASP 40 -3.547 5.626 -9.181 298 HB3 ASP 40 2HB ASP 40 -2.226 6.207 -10.191 299 HA PRO 41 HA PRO 41 -3.421 2.164 -13.255 300 HB2 PRO 41 1HB PRO 41 -1.587 2.605 -15.207 301 HB3 PRO 41 2HB PRO 41 -3.313 2.914 -15.424 302 HG2 PRO 41 1HG PRO 41 -1.110 4.839 -14.788 303 HG3 PRO 41 2HG PRO 41 -2.459 5.018 -15.925 304 HD2 PRO 41 1HD PRO 41 -2.469 6.145 -13.463 305 HD3 PRO 41 2HD PRO 41 -3.952 5.582 -14.261 306 H ASN 42 H ASN 42 -1.379 4.073 -11.517 307 HA ASN 42 HA ASN 42 1.084 2.671 -11.762 308 HB2 ASN 42 1HB ASN 42 0.149 4.283 -9.383 309 HB3 ASN 42 2HB ASN 42 1.810 3.941 -9.858 310 HD21 ASN 42 1HD2 ASN 42 2.394 4.735 -12.084 311 HD22 ASN 42 2HD2 ASN 42 1.817 6.302 -12.525 312 H PHE 43 H PHE 43 -1.288 2.729 -9.095 313 HA PHE 43 HA PHE 43 -0.198 0.605 -7.653 314 HB2 PHE 43 1HB PHE 43 -1.932 2.232 -6.835 315 HB3 PHE 43 2HB PHE 43 -3.128 1.335 -7.765 316 HD1 PHE 43 1HD PHE 43 -3.211 -1.240 -7.270 317 HD2 PHE 43 2HD PHE 43 -1.600 1.682 -4.629 318 HE1 PHE 43 1HE PHE 43 -3.529 -2.780 -5.378 319 HE2 PHE 43 2HE PHE 43 -1.914 0.147 -2.733 320 HZ PHE 43 HZ PHE 43 -2.879 -2.088 -3.105 321 H VAL 44 H VAL 44 -0.476 -1.579 -7.668 322 HA VAL 44 HA VAL 44 -2.384 -2.784 -9.511 323 HB VAL 44 HB VAL 44 -0.399 -2.513 -10.902 324 HG11 VAL 44 1HG1 VAL 44 1.072 -4.232 -8.914 325 HG12 VAL 44 2HG1 VAL 44 1.722 -3.459 -10.361 326 HG13 VAL 44 3HG1 VAL 44 1.215 -2.476 -8.987 327 HG21 VAL 44 1HG2 VAL 44 -1.264 -5.232 -10.047 328 HG22 VAL 44 2HG2 VAL 44 -1.502 -4.405 -11.586 329 HG23 VAL 44 3HG2 VAL 44 0.075 -5.084 -11.186 330 HA PRO 45 HA PRO 45 -2.565 -5.380 -5.884 331 HB2 PRO 45 1HB PRO 45 -4.608 -6.931 -6.773 332 HB3 PRO 45 2HB PRO 45 -4.848 -5.303 -6.129 333 HG2 PRO 45 1HG PRO 45 -4.705 -6.211 -8.978 334 HG3 PRO 45 2HG PRO 45 -5.822 -5.057 -8.226 335 HD2 PRO 45 1HD PRO 45 -3.672 -4.271 -9.672 336 HD3 PRO 45 2HD PRO 45 -4.291 -3.336 -8.296 337 H ALA 46 H ALA 46 -1.578 -7.253 -5.376 338 HA ALA 46 HA ALA 46 -0.245 -8.737 -7.441 339 HB1 ALA 46 1HB ALA 46 1.177 -8.999 -5.755 340 HB2 ALA 46 2HB ALA 46 -0.018 -8.430 -4.588 341 HB3 ALA 46 3HB ALA 46 0.033 -10.135 -5.038 342 H ALA 47 H ALA 47 -1.284 -10.198 -8.623 343 HA ALA 47 HA ALA 47 -3.207 -11.979 -7.272 344 HB1 ALA 47 1HB ALA 47 -4.374 -12.153 -9.466 345 HB2 ALA 47 2HB ALA 47 -4.438 -10.546 -8.741 346 HB3 ALA 47 3HB ALA 47 -3.325 -10.869 -10.070 347 H PHE 48 H PHE 48 -2.197 -13.867 -7.001 348 HA PHE 48 HA PHE 48 -0.929 -15.095 -9.348 349 HB2 PHE 48 1HB PHE 48 0.194 -15.091 -6.539 350 HB3 PHE 48 2HB PHE 48 0.830 -16.043 -7.877 351 HD1 PHE 48 1HD PHE 48 2.000 -14.970 -9.723 352 HD2 PHE 48 2HD PHE 48 0.581 -12.729 -6.394 353 HE1 PHE 48 1HE PHE 48 3.433 -13.083 -10.386 354 HE2 PHE 48 2HE PHE 48 2.011 -10.838 -7.052 355 HZ PHE 48 HZ PHE 48 3.439 -11.013 -9.051 356 H VAL 49 H VAL 49 -2.383 -16.643 -9.800 357 HA VAL 49 HA VAL 49 -3.497 -18.248 -7.618 358 HB VAL 49 HB VAL 49 -4.290 -17.827 -10.479 359 HG11 VAL 49 1HG1 VAL 49 -5.948 -19.628 -10.247 360 HG12 VAL 49 2HG1 VAL 49 -4.293 -20.238 -10.189 361 HG13 VAL 49 3HG1 VAL 49 -5.228 -20.077 -8.702 362 HG21 VAL 49 1HG2 VAL 49 -6.516 -17.479 -9.365 363 HG22 VAL 49 2HG2 VAL 49 -5.681 -17.605 -7.816 364 HG23 VAL 49 3HG2 VAL 49 -5.272 -16.305 -8.935 365 H CYS 50 H CYS 50 -3.120 -20.398 -7.380 366 HA CYS 50 HA CYS 50 -0.760 -21.488 -8.512 367 HB2 CYS 50 1HB CYS 50 -1.875 -22.018 -6.241 368 HB3 CYS 50 2HB CYS 50 -2.888 -23.129 -7.158 369 H SER 51 H SER 51 -0.446 -22.798 -10.216 370 HA SER 51 HA SER 51 -2.711 -23.282 -11.976 371 HB2 SER 51 1HB SER 51 0.252 -23.245 -12.283 372 HB3 SER 51 2HB SER 51 -0.670 -24.256 -13.395 373 HG SER 51 HG SER 51 -1.490 -22.526 -14.310 374 H LYS 52 H LYS 52 -1.350 -24.881 -9.467 375 HA LYS 52 HA LYS 52 -1.530 -27.550 -10.637 376 HB2 LYS 52 1HB LYS 52 -0.778 -26.731 -7.825 377 HB3 LYS 52 2HB LYS 52 -0.622 -28.341 -8.517 378 HG2 LYS 52 1HG LYS 52 0.884 -27.155 -10.270 379 HG3 LYS 52 2HG LYS 52 0.994 -25.888 -9.045 380 HD2 LYS 52 1HD LYS 52 2.819 -27.244 -8.562 381 HD3 LYS 52 2HD LYS 52 1.590 -27.820 -7.435 382 HE2 LYS 52 1HE LYS 52 2.341 -29.814 -8.273 383 HE3 LYS 52 2HE LYS 52 1.032 -29.473 -9.404 384 HZ1 LYS 52 1HZ LYS 52 2.507 -29.584 -11.031 385 HZ2 LYS 52 2HZ LYS 52 3.779 -29.796 -9.937 386 HZ3 LYS 52 3HZ LYS 52 3.312 -28.237 -10.399 387 H CYS 53 H CYS 53 -2.819 -25.877 -7.759 388 HA CYS 53 HA CYS 53 -5.084 -27.742 -7.766 389 HB2 CYS 53 1HB CYS 53 -5.499 -26.955 -5.472 390 HB3 CYS 53 2HB CYS 53 -3.861 -27.575 -5.656 391 H GLY 54 H GLY 54 -4.319 -24.281 -7.664 392 HA2 GLY 54 1HA GLY 54 -5.658 -22.800 -9.071 393 HA3 GLY 54 2HA GLY 54 -7.062 -23.761 -8.629 394 H LYS 55 H LYS 55 -4.576 -22.733 -6.373 395 HA LYS 55 HA LYS 55 -6.601 -21.398 -4.778 396 HB2 LYS 55 1HB LYS 55 -3.746 -22.205 -4.323 397 HB3 LYS 55 2HB LYS 55 -4.526 -21.058 -3.241 398 HG2 LYS 55 1HG LYS 55 -6.148 -22.653 -2.576 399 HG3 LYS 55 2HG LYS 55 -5.664 -23.773 -3.852 400 HD2 LYS 55 1HD LYS 55 -3.473 -24.034 -2.781 401 HD3 LYS 55 2HD LYS 55 -3.969 -22.922 -1.502 402 HE2 LYS 55 1HE LYS 55 -5.736 -24.450 -0.833 403 HE3 LYS 55 2HE LYS 55 -5.315 -25.543 -2.151 404 HZ1 LYS 55 1HZ LYS 55 -4.205 -25.388 0.436 405 HZ2 LYS 55 2HZ LYS 55 -2.992 -25.086 -0.704 406 HZ3 LYS 55 3HZ LYS 55 -3.891 -26.517 -0.785 407 H THR 56 H THR 56 -5.541 -19.354 -3.560 408 HA THR 56 HA THR 56 -4.539 -17.546 -5.661 409 HB THR 56 HB THR 56 -5.830 -15.723 -4.440 410 HG1 THR 56 1HG THR 56 -6.279 -17.526 -2.699 411 HG21 THR 56 1HG2 THR 56 -6.840 -16.120 -6.435 412 HG22 THR 56 2HG2 THR 56 -8.102 -16.785 -5.398 413 HG23 THR 56 3HG2 THR 56 -6.933 -17.859 -6.164 414 H PHE 57 H PHE 57 -2.938 -16.141 -5.107 415 HA PHE 57 HA PHE 57 -2.124 -16.002 -2.292 416 HB2 PHE 57 1HB PHE 57 -0.271 -16.606 -4.607 417 HB3 PHE 57 2HB PHE 57 0.248 -16.273 -2.957 418 HD1 PHE 57 1HD PHE 57 -1.679 -18.638 -5.050 419 HD2 PHE 57 2HD PHE 57 0.299 -17.970 -1.341 420 HE1 PHE 57 1HE PHE 57 -1.896 -21.028 -4.507 421 HE2 PHE 57 2HE PHE 57 0.086 -20.359 -0.792 422 HZ PHE 57 HZ PHE 57 -1.012 -21.892 -2.377 423 H THR 58 H THR 58 -0.083 -14.382 -2.269 424 HA THR 58 HA THR 58 -0.828 -12.045 -3.903 425 HB THR 58 HB THR 58 -1.664 -11.709 -1.631 426 HG1 THR 58 1HG THR 58 -0.510 -9.987 -2.927 427 HG21 THR 58 1HG2 THR 58 -0.343 -11.806 0.297 428 HG22 THR 58 2HG2 THR 58 1.163 -11.757 -0.619 429 HG23 THR 58 3HG2 THR 58 0.172 -13.215 -0.629 430 H ARG 59 H ARG 59 1.694 -13.773 -2.161 431 HA ARG 59 HA ARG 59 3.732 -12.081 -3.428 432 HB2 ARG 59 1HB ARG 59 3.810 -12.423 -0.949 433 HB3 ARG 59 2HB ARG 59 4.098 -14.133 -1.241 434 HG2 ARG 59 1HG ARG 59 6.178 -13.618 -2.374 435 HG3 ARG 59 2HG ARG 59 5.880 -11.891 -2.170 436 HD2 ARG 59 1HD ARG 59 6.171 -12.005 0.156 437 HD3 ARG 59 2HD ARG 59 6.004 -13.760 0.175 438 HE ARG 59 HE ARG 59 8.225 -13.956 -0.392 439 HH11 ARG 59 2HH1 ARG 59 7.203 -10.647 -0.745 440 HH12 ARG 59 1HH1 ARG 59 8.810 -10.037 -0.964 441 HH21 ARG 59 2HH2 ARG 59 10.346 -13.165 -0.679 442 HH22 ARG 59 1HH2 ARG 59 10.597 -11.471 -0.927 443 H ARG 60 H ARG 60 4.996 -12.835 -5.012 444 HA ARG 60 HA ARG 60 4.421 -15.141 -6.430 445 HB2 ARG 60 1HB ARG 60 6.683 -13.223 -6.366 446 HB3 ARG 60 2HB ARG 60 6.987 -14.771 -7.144 447 HG2 ARG 60 1HG ARG 60 4.516 -13.318 -7.898 448 HG3 ARG 60 2HG ARG 60 6.059 -12.678 -8.469 449 HD2 ARG 60 1HD ARG 60 6.438 -15.236 -9.088 450 HD3 ARG 60 2HD ARG 60 4.677 -15.214 -9.149 451 HE ARG 60 HE ARG 60 5.311 -13.084 -10.646 452 HH11 ARG 60 2HH1 ARG 60 6.485 -16.362 -10.653 453 HH12 ARG 60 1HH1 ARG 60 6.834 -16.372 -12.350 454 HH21 ARG 60 2HH2 ARG 60 5.766 -13.085 -12.881 455 HH22 ARG 60 1HH2 ARG 60 6.425 -14.507 -13.616 456 H ASN 61 H ASN 61 7.266 -14.623 -4.334 457 HA ASN 61 HA ASN 61 8.370 -17.117 -4.397 458 HB2 ASN 61 1HB ASN 61 8.985 -14.925 -3.039 459 HB3 ASN 61 2HB ASN 61 8.183 -15.787 -1.729 460 HD21 ASN 61 1HD2 ASN 61 10.751 -16.031 -4.125 461 HD22 ASN 61 2HD2 ASN 61 11.744 -17.114 -3.216 462 H THR 62 H THR 62 6.049 -16.056 -1.901 463 HA THR 62 HA THR 62 5.649 -18.401 -0.573 464 HB THR 62 HB THR 62 3.552 -16.346 -1.295 465 HG1 THR 62 1HG THR 62 5.439 -15.714 0.006 466 HG21 THR 62 1HG2 THR 62 3.210 -18.895 -0.104 467 HG22 THR 62 2HG2 THR 62 2.019 -17.607 -0.286 468 HG23 THR 62 3HG2 THR 62 3.018 -17.686 1.165 469 H MET 63 H MET 63 3.670 -17.325 -3.345 470 HA MET 63 HA MET 63 2.205 -19.688 -3.624 471 HB2 MET 63 1HB MET 63 1.723 -17.457 -4.705 472 HB3 MET 63 2HB MET 63 2.977 -17.835 -5.879 473 HG2 MET 63 1HG MET 63 0.763 -19.777 -5.443 474 HG3 MET 63 2HG MET 63 0.464 -18.322 -6.392 475 HE1 MET 63 1HE MET 63 2.020 -17.637 -8.479 476 HE2 MET 63 2HE MET 63 2.050 -18.909 -9.700 477 HE3 MET 63 3HE MET 63 0.538 -18.501 -8.888 478 H ALA 64 H ALA 64 4.831 -18.612 -5.788 479 HA ALA 64 HA ALA 64 5.255 -20.798 -7.287 480 HB1 ALA 64 1HB ALA 64 6.643 -18.941 -7.669 481 HB2 ALA 64 2HB ALA 64 7.289 -18.981 -6.028 482 HB3 ALA 64 3HB ALA 64 7.733 -20.239 -7.181 483 H ARG 65 H ARG 65 6.618 -20.363 -4.026 484 HA ARG 65 HA ARG 65 7.911 -22.853 -3.887 485 HB2 ARG 65 1HB ARG 65 6.860 -21.014 -1.738 486 HB3 ARG 65 2HB ARG 65 7.767 -22.477 -1.383 487 HG2 ARG 65 1HG ARG 65 9.492 -21.395 -3.062 488 HG3 ARG 65 2HG ARG 65 8.684 -19.911 -2.554 489 HD2 ARG 65 1HD ARG 65 9.059 -20.764 -0.162 490 HD3 ARG 65 2HD ARG 65 10.205 -21.890 -0.889 491 HE ARG 65 HE ARG 65 10.697 -19.202 -1.697 492 HH11 ARG 65 2HH1 ARG 65 11.157 -21.472 0.901 493 HH12 ARG 65 1HH1 ARG 65 12.571 -20.681 1.516 494 HH21 ARG 65 2HH2 ARG 65 12.557 -18.152 -0.898 495 HH22 ARG 65 1HH2 ARG 65 13.366 -18.792 0.492 496 H HIS 66 H HIS 66 4.666 -21.839 -2.894 497 HA HIS 66 HA HIS 66 3.850 -24.181 -1.630 498 HB2 HIS 66 1HB HIS 66 2.401 -22.369 -1.365 499 HB3 HIS 66 2HB HIS 66 2.379 -22.009 -3.089 500 HD1 HIS 66 1HD HIS 66 1.002 -24.523 -0.621 501 HD2 HIS 66 2HD HIS 66 0.317 -23.150 -4.482 502 HE1 HIS 66 1HE HIS 66 -1.156 -25.594 -1.343 503 H ALA 67 H ALA 67 3.876 -23.329 -5.049 504 HA ALA 67 HA ALA 67 2.362 -25.408 -6.088 505 HB1 ALA 67 1HB ALA 67 2.854 -24.036 -7.795 506 HB2 ALA 67 2HB ALA 67 4.415 -23.579 -7.112 507 HB3 ALA 67 3HB ALA 67 4.253 -25.089 -8.010 508 H ASP 68 H ASP 68 5.805 -25.340 -5.257 509 HA ASP 68 HA ASP 68 6.595 -27.788 -6.269 510 HB2 ASP 68 1HB ASP 68 7.916 -25.907 -4.982 511 HB3 ASP 68 2HB ASP 68 7.599 -26.930 -3.584 512 H ASN 69 H ASN 69 5.484 -27.150 -2.937 513 HA ASN 69 HA ASN 69 5.298 -29.927 -2.300 514 HB2 ASN 69 1HB ASN 69 3.951 -27.677 -0.808 515 HB3 ASN 69 2HB ASN 69 4.490 -29.229 -0.174 516 HD21 ASN 69 1HD2 ASN 69 5.222 -26.011 -0.462 517 HD22 ASN 69 2HD2 ASN 69 6.907 -26.078 -0.088 518 H CYS 70 H CYS 70 3.289 -27.764 -3.968 519 HA CYS 70 HA CYS 70 0.786 -29.030 -3.308 520 HB2 CYS 70 1HB CYS 70 0.903 -26.640 -3.924 521 HB3 CYS 70 2HB CYS 70 1.452 -27.093 -5.534 522 H ALA 71 H ALA 71 -0.467 -30.338 -4.655 523 HA ALA 71 HA ALA 71 1.004 -31.609 -6.873 524 HB1 ALA 71 1HB ALA 71 -0.917 -32.900 -4.939 525 HB2 ALA 71 2HB ALA 71 -0.173 -33.697 -6.326 526 HB3 ALA 71 3HB ALA 71 0.831 -33.130 -4.992 527 H GLY 72 H GLY 72 -2.157 -30.626 -5.633 528 HA2 GLY 72 1HA GLY 72 -3.215 -29.572 -7.895 529 HA3 GLY 72 2HA GLY 72 -3.510 -31.293 -8.095 530 HA PRO 73 HA PRO 73 -7.091 -29.433 -5.797 531 HB2 PRO 73 1HB PRO 73 -8.996 -30.607 -7.334 532 HB3 PRO 73 2HB PRO 73 -8.253 -29.056 -7.743 533 HG2 PRO 73 1HG PRO 73 -7.634 -31.788 -8.797 534 HG3 PRO 73 2HG PRO 73 -7.777 -30.255 -9.677 535 HD2 PRO 73 1HD PRO 73 -5.385 -31.332 -9.004 536 HD3 PRO 73 2HD PRO 73 -5.651 -29.579 -9.095 537 H ASP 74 H ASP 74 -6.636 -30.722 -3.991 538 HA ASP 74 HA ASP 74 -8.119 -33.240 -3.921 539 HB2 ASP 74 1HB ASP 74 -5.334 -33.029 -2.771 540 HB3 ASP 74 2HB ASP 74 -6.339 -34.471 -2.894 541 H GLY 75 H GLY 75 -8.197 -34.069 -1.565 542 HA2 GLY 75 1HA GLY 75 -8.610 -33.693 0.680 543 HA3 GLY 75 2HA GLY 75 -7.924 -32.086 0.499 544 H VAL 76 H VAL 76 -9.444 -30.848 1.460 545 HA VAL 76 HA VAL 76 -12.245 -31.186 0.664 546 HB VAL 76 HB VAL 76 -11.694 -31.062 3.091 547 HG11 VAL 76 1HG1 VAL 76 -9.890 -29.548 3.185 548 HG12 VAL 76 2HG1 VAL 76 -10.787 -28.303 2.314 549 HG13 VAL 76 3HG1 VAL 76 -11.239 -28.724 3.966 550 HG21 VAL 76 1HG2 VAL 76 -13.331 -28.661 2.369 551 HG22 VAL 76 2HG2 VAL 76 -13.885 -30.284 1.957 552 HG23 VAL 76 3HG2 VAL 76 -13.599 -29.852 3.642 553 H GLU 77 H GLU 77 -13.438 -29.559 -0.277 554 HA GLU 77 HA GLU 77 -12.013 -27.097 -1.013 555 HB2 GLU 77 1HB GLU 77 -13.086 -27.244 -3.274 556 HB3 GLU 77 2HB GLU 77 -11.856 -28.463 -2.969 557 HG2 GLU 77 1HG GLU 77 -14.821 -28.915 -2.720 558 HG3 GLU 77 2HG GLU 77 -13.845 -29.344 -4.124 559 H GLY 78 H GLY 78 -15.127 -28.766 -0.755 560 HA2 GLY 78 1HA GLY 78 -17.144 -27.981 0.048 561 HA3 GLY 78 2HA GLY 78 -16.344 -26.469 0.450 562 H GLU 79 H GLU 79 -15.853 -25.023 -1.437 563 HA GLU 79 HA GLU 79 -17.426 -25.354 -3.816 564 HB2 GLU 79 1HB GLU 79 -19.025 -24.541 -1.965 565 HB3 GLU 79 2HB GLU 79 -18.175 -23.008 -2.090 566 HG2 GLU 79 1HG GLU 79 -18.762 -22.902 -4.476 567 HG3 GLU 79 2HG GLU 79 -19.668 -24.404 -4.299 568 H ASN 80 H ASN 80 -16.329 -24.442 -5.419 569 HA ASN 80 HA ASN 80 -14.500 -22.223 -4.776 570 HB2 ASN 80 1HB ASN 80 -13.498 -24.466 -5.503 571 HB3 ASN 80 2HB ASN 80 -14.158 -24.116 -7.097 572 HD21 ASN 80 1HD2 ASN 80 -12.383 -22.353 -4.576 573 HD22 ASN 80 2HD2 ASN 80 -11.210 -21.669 -5.645 574 H SER 81 H SER 81 -16.490 -23.611 -7.378 575 HA SER 81 HA SER 81 -16.363 -21.504 -9.175 576 HB2 SER 81 1HB SER 81 -17.450 -23.821 -9.457 577 HB3 SER 81 2HB SER 81 -18.886 -23.094 -8.736 578 HG SER 81 HG SER 81 -18.758 -23.030 -11.092 579 H GLY 82 H GLY 82 -17.578 -19.658 -9.532 580 HA2 GLY 82 1HA GLY 82 -19.393 -18.176 -9.049 581 HA3 GLY 82 2HA GLY 82 -19.513 -18.900 -7.452 582 HA PRO 83 HA PRO 83 -15.703 -15.883 -7.451 583 HB2 PRO 83 1HB PRO 83 -15.683 -14.055 -9.458 584 HB3 PRO 83 2HB PRO 83 -14.870 -15.620 -9.576 585 HG2 PRO 83 1HG PRO 83 -17.533 -14.783 -10.657 586 HG3 PRO 83 2HG PRO 83 -16.263 -15.746 -11.434 587 HD2 PRO 83 1HD PRO 83 -18.462 -16.864 -10.318 588 HD3 PRO 83 2HD PRO 83 -16.884 -17.678 -10.341 589 H SER 84 H SER 84 -18.982 -15.245 -8.073 590 HA SER 84 HA SER 84 -19.467 -12.621 -7.789 591 HB2 SER 84 1HB SER 84 -20.808 -14.951 -6.431 592 HB3 SER 84 2HB SER 84 -21.400 -13.303 -6.220 593 HG SER 84 HG SER 84 -22.457 -14.321 -7.949 594 H SER 85 H SER 85 -18.721 -14.773 -5.053 595 HA SER 85 HA SER 85 -18.865 -13.057 -2.948 596 HB2 SER 85 1HB SER 85 -18.053 -15.559 -3.112 597 HB3 SER 85 2HB SER 85 -16.451 -14.822 -3.116 598 HG SER 85 HG SER 85 -16.772 -14.066 -1.111 599 H GLY 86 H GLY 86 -17.939 -11.201 -2.382 600 HA2 GLY 86 1HA GLY 86 -15.809 -10.017 -2.007 601 HA3 GLY 86 2HA GLY 86 -15.353 -10.505 -3.633 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -16.353 -18.980 -19.647 2 HA2 GLY 1 1HA GLY 1 -16.289 -16.337 -19.555 3 HA3 GLY 1 2HA GLY 1 -17.362 -17.220 -18.479 4 H SER 2 H SER 2 -17.287 -16.368 -16.516 5 HA SER 2 HA SER 2 -14.783 -15.212 -15.543 6 HB2 SER 2 1HB SER 2 -17.550 -15.080 -14.323 7 HB3 SER 2 2HB SER 2 -16.138 -14.153 -13.817 8 HG SER 2 HG SER 2 -16.358 -12.865 -15.498 9 H SER 3 H SER 3 -14.486 -15.492 -13.070 10 HA SER 3 HA SER 3 -14.875 -18.338 -12.405 11 HB2 SER 3 1HB SER 3 -12.492 -16.576 -11.787 12 HB3 SER 3 2HB SER 3 -12.707 -18.221 -11.191 13 HG SER 3 HG SER 3 -12.172 -18.979 -13.087 14 H GLY 4 H GLY 4 -16.744 -17.927 -11.193 15 HA2 GLY 4 1HA GLY 4 -16.628 -16.033 -8.996 16 HA3 GLY 4 2HA GLY 4 -18.006 -17.025 -9.449 17 H SER 5 H SER 5 -14.659 -17.854 -8.566 18 HA SER 5 HA SER 5 -15.386 -20.136 -7.099 19 HB2 SER 5 1HB SER 5 -12.866 -18.485 -6.802 20 HB3 SER 5 2HB SER 5 -13.080 -20.166 -6.316 21 HG SER 5 HG SER 5 -12.037 -19.861 -8.387 22 H SER 6 H SER 6 -14.603 -16.839 -6.051 23 HA SER 6 HA SER 6 -15.639 -17.521 -3.378 24 HB2 SER 6 1HB SER 6 -13.193 -16.704 -3.692 25 HB3 SER 6 2HB SER 6 -13.920 -15.117 -3.937 26 HG SER 6 HG SER 6 -14.250 -16.781 -1.659 27 H GLY 7 H GLY 7 -17.811 -17.131 -3.959 28 HA2 GLY 7 1HA GLY 7 -18.958 -15.069 -5.291 29 HA3 GLY 7 2HA GLY 7 -19.673 -15.766 -3.845 30 H ARG 8 H ARG 8 -19.981 -13.075 -4.628 31 HA ARG 8 HA ARG 8 -18.191 -11.470 -3.026 32 HB2 ARG 8 1HB ARG 8 -19.598 -9.583 -3.754 33 HB3 ARG 8 2HB ARG 8 -19.050 -10.557 -5.111 34 HG2 ARG 8 1HG ARG 8 -21.290 -11.734 -4.990 35 HG3 ARG 8 2HG ARG 8 -21.789 -10.448 -3.890 36 HD2 ARG 8 1HD ARG 8 -20.813 -8.930 -5.835 37 HD3 ARG 8 2HD ARG 8 -21.210 -10.351 -6.801 38 HE ARG 8 HE ARG 8 -23.445 -9.901 -6.501 39 HH11 ARG 8 2HH1 ARG 8 -21.548 -7.924 -4.354 40 HH12 ARG 8 1HH1 ARG 8 -22.885 -6.929 -3.878 41 HH21 ARG 8 2HH2 ARG 8 -25.213 -8.598 -5.883 42 HH22 ARG 8 1HH2 ARG 8 -24.969 -7.314 -4.748 43 H THR 9 H THR 9 -18.763 -10.278 -1.186 44 HA THR 9 HA THR 9 -21.113 -11.327 0.252 45 HB THR 9 HB THR 9 -19.920 -10.849 2.344 46 HG1 THR 9 1HG THR 9 -17.952 -9.936 2.350 47 HG21 THR 9 1HG2 THR 9 -18.909 -12.733 0.313 48 HG22 THR 9 2HG2 THR 9 -19.477 -13.032 1.956 49 HG23 THR 9 3HG2 THR 9 -17.837 -12.443 1.683 50 H HIS 10 H HIS 10 -22.696 -9.915 0.546 51 HA HIS 10 HA HIS 10 -22.012 -7.058 0.778 52 HB2 HIS 10 1HB HIS 10 -23.975 -6.461 -0.433 53 HB3 HIS 10 2HB HIS 10 -23.172 -7.715 -1.373 54 HD1 HIS 10 1HD HIS 10 -26.410 -6.786 -0.293 55 HD2 HIS 10 2HD HIS 10 -24.397 -10.405 -0.625 56 HE1 HIS 10 1HE HIS 10 -28.202 -8.550 -0.340 57 H THR 11 H THR 11 -22.182 -6.640 2.896 58 HA THR 11 HA THR 11 -24.773 -6.898 4.150 59 HB THR 11 HB THR 11 -23.936 -9.056 4.759 60 HG1 THR 11 1HG THR 11 -23.292 -7.597 7.074 61 HG21 THR 11 1HG2 THR 11 -21.396 -7.644 4.923 62 HG22 THR 11 2HG2 THR 11 -21.719 -9.362 4.688 63 HG23 THR 11 3HG2 THR 11 -21.680 -8.686 6.316 64 H GLY 12 H GLY 12 -25.137 -5.279 5.568 65 HA2 GLY 12 1HA GLY 12 -24.586 -3.662 7.183 66 HA3 GLY 12 2HA GLY 12 -22.886 -3.892 6.802 67 H GLU 13 H GLU 13 -22.224 -1.866 6.354 68 HA GLU 13 HA GLU 13 -23.268 -0.638 3.936 69 HB2 GLU 13 1HB GLU 13 -23.488 1.583 5.025 70 HB3 GLU 13 2HB GLU 13 -24.659 0.408 5.606 71 HG2 GLU 13 1HG GLU 13 -23.954 1.466 7.537 72 HG3 GLU 13 2HG GLU 13 -22.993 -0.012 7.511 73 H LYS 14 H LYS 14 -21.857 0.959 3.037 74 HA LYS 14 HA LYS 14 -19.100 0.753 4.058 75 HB2 LYS 14 1HB LYS 14 -20.033 1.198 1.216 76 HB3 LYS 14 2HB LYS 14 -18.357 1.104 1.740 77 HG2 LYS 14 1HG LYS 14 -18.452 -1.169 2.094 78 HG3 LYS 14 2HG LYS 14 -20.205 -1.170 2.300 79 HD2 LYS 14 1HD LYS 14 -20.513 -0.767 -0.071 80 HD3 LYS 14 2HD LYS 14 -18.767 -0.652 -0.303 81 HE2 LYS 14 1HE LYS 14 -19.927 -3.116 0.918 82 HE3 LYS 14 2HE LYS 14 -20.042 -2.881 -0.825 83 HZ1 LYS 14 1HZ LYS 14 -17.912 -3.925 0.521 84 HZ2 LYS 14 2HZ LYS 14 -17.417 -2.346 0.168 85 HZ3 LYS 14 3HZ LYS 14 -17.905 -3.378 -1.081 86 HA PRO 15 HA PRO 15 -19.928 5.151 4.723 87 HB2 PRO 15 1HB PRO 15 -17.843 5.501 6.427 88 HB3 PRO 15 2HB PRO 15 -19.394 4.821 6.933 89 HG2 PRO 15 1HG PRO 15 -16.844 3.413 6.243 90 HG3 PRO 15 2HG PRO 15 -17.968 3.102 7.579 91 HD2 PRO 15 1HD PRO 15 -17.946 1.613 5.317 92 HD3 PRO 15 2HD PRO 15 -19.429 1.924 6.241 93 H TYR 16 H TYR 16 -17.121 3.487 3.557 94 HA TYR 16 HA TYR 16 -15.783 5.951 2.771 95 HB2 TYR 16 1HB TYR 16 -14.934 3.106 2.212 96 HB3 TYR 16 2HB TYR 16 -13.940 4.554 2.101 97 HD1 TYR 16 2HD TYR 16 -15.614 2.234 4.427 98 HD2 TYR 16 1HD TYR 16 -12.920 5.505 4.044 99 HE1 TYR 16 2HE TYR 16 -14.911 1.922 6.763 100 HE2 TYR 16 1HE TYR 16 -12.209 5.201 6.378 101 HH TYR 16 HH TYR 16 -12.774 4.197 8.359 102 H ALA 17 H ALA 17 -16.875 6.883 1.116 103 HA ALA 17 HA ALA 17 -17.330 5.239 -1.288 104 HB1 ALA 17 1HB ALA 17 -19.457 5.906 -0.621 105 HB2 ALA 17 2HB ALA 17 -18.907 7.511 -0.137 106 HB3 ALA 17 3HB ALA 17 -19.020 7.096 -1.848 107 H CYS 18 H CYS 18 -15.831 5.629 -2.774 108 HA CYS 18 HA CYS 18 -14.010 7.689 -2.839 109 HB2 CYS 18 1HB CYS 18 -14.048 5.543 -4.227 110 HB3 CYS 18 2HB CYS 18 -15.093 6.411 -5.346 111 H SER 19 H SER 19 -13.849 9.663 -3.885 112 HA SER 19 HA SER 19 -16.400 10.971 -4.404 113 HB2 SER 19 1HB SER 19 -14.787 12.081 -2.912 114 HB3 SER 19 2HB SER 19 -13.606 12.128 -4.221 115 HG SER 19 HG SER 19 -15.687 13.791 -3.717 116 H HIS 20 H HIS 20 -13.341 10.284 -6.038 117 HA HIS 20 HA HIS 20 -13.830 11.670 -8.418 118 HB2 HIS 20 1HB HIS 20 -12.200 9.180 -7.894 119 HB3 HIS 20 2HB HIS 20 -12.190 10.049 -9.426 120 HD1 HIS 20 1HD HIS 20 -12.091 11.616 -5.980 121 HD2 HIS 20 2HD HIS 20 -9.680 11.125 -9.329 122 HE1 HIS 20 1HE HIS 20 -10.053 13.027 -5.554 123 H CYS 21 H CYS 21 -14.878 8.510 -7.326 124 HA CYS 21 HA CYS 21 -16.604 8.330 -9.697 125 HB2 CYS 21 1HB CYS 21 -16.175 5.967 -9.930 126 HB3 CYS 21 2HB CYS 21 -14.635 6.820 -9.960 127 H ASP 22 H ASP 22 -18.183 6.336 -9.267 128 HA ASP 22 HA ASP 22 -19.451 6.934 -6.696 129 HB2 ASP 22 1HB ASP 22 -20.625 7.053 -9.029 130 HB3 ASP 22 2HB ASP 22 -20.740 5.304 -8.858 131 H LYS 23 H LYS 23 -17.333 5.417 -6.225 132 HA LYS 23 HA LYS 23 -18.360 2.668 -5.971 133 HB2 LYS 23 1HB LYS 23 -15.555 3.738 -6.206 134 HB3 LYS 23 2HB LYS 23 -15.878 2.125 -5.585 135 HG2 LYS 23 1HG LYS 23 -17.053 2.927 -8.201 136 HG3 LYS 23 2HG LYS 23 -15.341 2.507 -8.113 137 HD2 LYS 23 1HD LYS 23 -16.139 0.393 -6.881 138 HD3 LYS 23 2HD LYS 23 -17.735 0.797 -7.519 139 HE2 LYS 23 1HE LYS 23 -16.693 0.864 -9.802 140 HE3 LYS 23 2HE LYS 23 -15.223 0.215 -9.077 141 HZ1 LYS 23 1HZ LYS 23 -16.803 -1.438 -10.113 142 HZ2 LYS 23 2HZ LYS 23 -17.839 -1.140 -8.810 143 HZ3 LYS 23 3HZ LYS 23 -16.297 -1.779 -8.535 144 H THR 24 H THR 24 -18.141 1.589 -3.994 145 HA THR 24 HA THR 24 -17.400 3.267 -1.691 146 HB THR 24 HB THR 24 -19.254 2.159 -0.408 147 HG1 THR 24 1HG THR 24 -19.802 0.423 -1.656 148 HG21 THR 24 1HG2 THR 24 -20.449 4.005 -0.799 149 HG22 THR 24 2HG2 THR 24 -20.820 3.489 -2.444 150 HG23 THR 24 3HG2 THR 24 -19.327 4.366 -2.110 151 H PHE 25 H PHE 25 -16.737 2.102 0.204 152 HA PHE 25 HA PHE 25 -16.194 -0.741 -0.093 153 HB2 PHE 25 1HB PHE 25 -13.919 1.096 0.627 154 HB3 PHE 25 2HB PHE 25 -13.851 -0.604 0.174 155 HD1 PHE 25 1HD PHE 25 -14.611 2.777 -1.145 156 HD2 PHE 25 2HD PHE 25 -13.495 -1.231 -2.042 157 HE1 PHE 25 1HE PHE 25 -14.179 3.424 -3.479 158 HE2 PHE 25 2HE PHE 25 -13.060 -0.591 -4.377 159 HZ PHE 25 HZ PHE 25 -13.401 1.739 -5.099 160 H ARG 26 H ARG 26 -16.210 -1.818 1.813 161 HA ARG 26 HA ARG 26 -17.071 -0.378 4.147 162 HB2 ARG 26 1HB ARG 26 -17.444 -2.509 5.138 163 HB3 ARG 26 2HB ARG 26 -17.923 -2.649 3.451 164 HG2 ARG 26 1HG ARG 26 -16.718 -4.543 3.564 165 HG3 ARG 26 2HG ARG 26 -15.369 -3.446 3.261 166 HD2 ARG 26 1HD ARG 26 -14.745 -4.832 5.088 167 HD3 ARG 26 2HD ARG 26 -15.107 -3.238 5.747 168 HE ARG 26 HE ARG 26 -17.431 -4.787 5.870 169 HH11 ARG 26 2HH1 ARG 26 -14.250 -4.666 7.281 170 HH12 ARG 26 1HH1 ARG 26 -14.741 -5.400 8.772 171 HH21 ARG 26 2HH2 ARG 26 -18.090 -5.753 7.829 172 HH22 ARG 26 1HH2 ARG 26 -16.925 -6.018 9.082 173 H GLN 27 H GLN 27 -14.077 -1.165 2.853 174 HA GLN 27 HA GLN 27 -12.791 -0.771 5.472 175 HB2 GLN 27 1HB GLN 27 -12.326 -2.858 3.430 176 HB3 GLN 27 2HB GLN 27 -10.881 -2.130 4.119 177 HG2 GLN 27 1HG GLN 27 -12.118 -2.606 6.386 178 HG3 GLN 27 2HG GLN 27 -12.964 -3.807 5.413 179 HE21 GLN 27 1HE2 GLN 27 -11.881 -5.599 4.692 180 HE22 GLN 27 2HE2 GLN 27 -10.292 -6.021 5.223 181 H LYS 28 H LYS 28 -11.750 1.096 5.516 182 HA LYS 28 HA LYS 28 -11.369 2.883 3.508 183 HB2 LYS 28 1HB LYS 28 -9.645 3.928 4.858 184 HB3 LYS 28 2HB LYS 28 -10.938 3.344 5.897 185 HG2 LYS 28 1HG LYS 28 -9.500 1.275 6.253 186 HG3 LYS 28 2HG LYS 28 -8.191 2.203 5.519 187 HD2 LYS 28 1HD LYS 28 -8.451 3.931 7.226 188 HD3 LYS 28 2HD LYS 28 -9.779 3.022 7.952 189 HE2 LYS 28 1HE LYS 28 -7.992 1.103 8.046 190 HE3 LYS 28 2HE LYS 28 -6.852 2.444 7.948 191 HZ1 LYS 28 1HZ LYS 28 -7.198 2.919 10.070 192 HZ2 LYS 28 2HZ LYS 28 -8.119 1.507 10.207 193 HZ3 LYS 28 3HZ LYS 28 -8.876 2.979 9.862 194 H GLN 29 H GLN 29 -9.132 0.295 4.439 195 HA GLN 29 HA GLN 29 -6.979 0.866 2.834 196 HB2 GLN 29 1HB GLN 29 -6.817 -0.958 4.347 197 HB3 GLN 29 2HB GLN 29 -8.187 -1.782 3.613 198 HG2 GLN 29 1HG GLN 29 -6.886 -2.188 1.600 199 HG3 GLN 29 2HG GLN 29 -5.518 -1.324 2.299 200 HE21 GLN 29 1HE2 GLN 29 -4.227 -2.331 3.771 201 HE22 GLN 29 2HE2 GLN 29 -4.377 -3.999 4.191 202 H LEU 30 H LEU 30 -9.908 -0.932 1.937 203 HA LEU 30 HA LEU 30 -9.191 -1.582 -0.676 204 HB2 LEU 30 1HB LEU 30 -11.759 -1.238 0.778 205 HB3 LEU 30 2HB LEU 30 -11.814 -1.333 -0.981 206 HG LEU 30 HG LEU 30 -10.827 -3.535 -0.935 207 HD11 LEU 30 1HD1 LEU 30 -9.511 -2.917 1.233 208 HD12 LEU 30 2HD1 LEU 30 -9.971 -4.589 0.918 209 HD13 LEU 30 3HD1 LEU 30 -10.914 -3.613 2.045 210 HD21 LEU 30 1HD2 LEU 30 -12.597 -4.725 0.423 211 HD22 LEU 30 2HD2 LEU 30 -13.184 -3.573 -0.778 212 HD23 LEU 30 3HD2 LEU 30 -13.152 -3.129 0.929 213 H LEU 31 H LEU 31 -11.134 1.192 0.442 214 HA LEU 31 HA LEU 31 -11.380 2.441 -2.049 215 HB2 LEU 31 1HB LEU 31 -12.815 3.165 -0.341 216 HB3 LEU 31 2HB LEU 31 -11.480 3.457 0.772 217 HG LEU 31 HG LEU 31 -10.805 5.403 -0.559 218 HD11 LEU 31 1HD1 LEU 31 -12.115 4.270 -2.621 219 HD12 LEU 31 2HD1 LEU 31 -11.699 5.982 -2.543 220 HD13 LEU 31 3HD1 LEU 31 -13.318 5.447 -2.093 221 HD21 LEU 31 1HD2 LEU 31 -13.731 5.519 0.156 222 HD22 LEU 31 2HD2 LEU 31 -12.587 6.861 0.109 223 HD23 LEU 31 3HD2 LEU 31 -12.415 5.597 1.328 224 H ASP 32 H ASP 32 -8.724 2.265 0.141 225 HA ASP 32 HA ASP 32 -7.340 4.575 -0.859 226 HB2 ASP 32 1HB ASP 32 -7.057 3.524 1.450 227 HB3 ASP 32 2HB ASP 32 -6.107 2.273 0.652 228 H MET 33 H MET 33 -6.905 1.057 -1.210 229 HA MET 33 HA MET 33 -4.812 1.308 -3.129 230 HB2 MET 33 1HB MET 33 -5.009 -1.093 -3.390 231 HB3 MET 33 2HB MET 33 -5.088 -0.679 -1.683 232 HG2 MET 33 1HG MET 33 -7.322 -1.209 -1.517 233 HG3 MET 33 2HG MET 33 -7.608 -0.992 -3.242 234 HE1 MET 33 1HE MET 33 -9.066 -3.041 -2.372 235 HE2 MET 33 2HE MET 33 -8.518 -4.700 -2.613 236 HE3 MET 33 3HE MET 33 -8.227 -3.889 -1.073 237 H HIS 34 H HIS 34 -8.283 1.163 -3.289 238 HA HIS 34 HA HIS 34 -8.604 0.383 -5.964 239 HB2 HIS 34 1HB HIS 34 -10.614 0.349 -4.854 240 HB3 HIS 34 2HB HIS 34 -10.269 1.827 -3.962 241 HD1 HIS 34 1HD HIS 34 -11.697 0.589 -7.183 242 HD2 HIS 34 2HD HIS 34 -11.031 4.201 -5.241 243 HE1 HIS 34 1HE HIS 34 -13.002 2.302 -8.483 244 H PHE 35 H PHE 35 -8.325 3.618 -4.520 245 HA PHE 35 HA PHE 35 -8.571 5.053 -6.933 246 HB2 PHE 35 1HB PHE 35 -8.819 6.020 -4.636 247 HB3 PHE 35 2HB PHE 35 -7.072 5.910 -4.451 248 HD1 PHE 35 2HD PHE 35 -5.680 7.078 -6.342 249 HD2 PHE 35 1HD PHE 35 -9.735 7.978 -5.414 250 HE1 PHE 35 2HE PHE 35 -5.428 9.285 -7.400 251 HE2 PHE 35 1HE PHE 35 -9.490 10.187 -6.471 252 HZ PHE 35 HZ PHE 35 -7.334 10.843 -7.464 253 H LYS 36 H LYS 36 -5.652 4.298 -5.027 254 HA LYS 36 HA LYS 36 -3.815 5.253 -6.927 255 HB2 LYS 36 1HB LYS 36 -3.620 3.368 -4.601 256 HB3 LYS 36 2HB LYS 36 -2.240 3.596 -5.668 257 HG2 LYS 36 1HG LYS 36 -3.615 5.951 -4.443 258 HG3 LYS 36 2HG LYS 36 -2.426 5.021 -3.528 259 HD2 LYS 36 1HD LYS 36 -1.908 6.230 -6.242 260 HD3 LYS 36 2HD LYS 36 -1.487 7.007 -4.715 261 HE2 LYS 36 1HE LYS 36 -0.274 4.736 -4.244 262 HE3 LYS 36 2HE LYS 36 -0.321 4.577 -5.999 263 HZ1 LYS 36 1HZ LYS 36 1.346 6.232 -4.373 264 HZ2 LYS 36 2HZ LYS 36 0.560 7.124 -5.576 265 HZ3 LYS 36 3HZ LYS 36 1.520 5.797 -5.999 266 H ARG 37 H ARG 37 -5.858 2.629 -7.114 267 HA ARG 37 HA ARG 37 -4.058 1.040 -8.785 268 HB2 ARG 37 1HB ARG 37 -5.288 -0.247 -7.176 269 HB3 ARG 37 2HB ARG 37 -6.807 0.490 -7.667 270 HG2 ARG 37 1HG ARG 37 -6.746 -0.640 -9.777 271 HG3 ARG 37 2HG ARG 37 -5.121 -1.249 -9.453 272 HD2 ARG 37 1HD ARG 37 -5.868 -2.766 -7.865 273 HD3 ARG 37 2HD ARG 37 -7.367 -1.881 -7.582 274 HE ARG 37 HE ARG 37 -7.180 -2.929 -10.240 275 HH11 ARG 37 2HH1 ARG 37 -8.011 -3.690 -6.946 276 HH12 ARG 37 1HH1 ARG 37 -9.089 -4.976 -7.377 277 HH21 ARG 37 2HH2 ARG 37 -8.597 -4.620 -10.820 278 HH22 ARG 37 1HH2 ARG 37 -9.421 -5.505 -9.582 279 H TYR 38 H TYR 38 -7.442 2.163 -8.988 280 HA TYR 38 HA TYR 38 -7.473 1.909 -11.842 281 HB2 TYR 38 1HB TYR 38 -9.416 2.966 -9.806 282 HB3 TYR 38 2HB TYR 38 -9.713 3.169 -11.529 283 HD1 TYR 38 1HD TYR 38 -8.760 0.462 -9.129 284 HD2 TYR 38 2HD TYR 38 -10.993 1.565 -12.578 285 HE1 TYR 38 1HE TYR 38 -9.723 -1.800 -9.222 286 HE2 TYR 38 2HE TYR 38 -11.963 -0.692 -12.680 287 HH TYR 38 HH TYR 38 -11.544 -2.911 -11.929 288 H HIS 39 H HIS 39 -8.100 4.769 -9.804 289 HA HIS 39 HA HIS 39 -7.759 6.660 -11.819 290 HB2 HIS 39 1HB HIS 39 -7.266 6.973 -8.850 291 HB3 HIS 39 2HB HIS 39 -7.465 8.298 -9.993 292 HD1 HIS 39 1HD HIS 39 -9.917 7.746 -11.481 293 HD2 HIS 39 2HD HIS 39 -9.563 6.698 -7.476 294 HE1 HIS 39 1HE HIS 39 -12.274 7.548 -10.626 295 H ASP 40 H ASP 40 -5.428 4.809 -10.124 296 HA ASP 40 HA ASP 40 -3.285 6.328 -11.441 297 HB2 ASP 40 1HB ASP 40 -3.627 6.567 -8.795 298 HB3 ASP 40 2HB ASP 40 -2.670 5.088 -8.810 299 HA PRO 41 HA PRO 41 -2.487 2.215 -12.960 300 HB2 PRO 41 1HB PRO 41 -0.372 2.907 -14.516 301 HB3 PRO 41 2HB PRO 41 -2.049 3.214 -14.983 302 HG2 PRO 41 1HG PRO 41 -0.047 5.083 -13.775 303 HG3 PRO 41 2HG PRO 41 -1.195 5.374 -15.094 304 HD2 PRO 41 1HD PRO 41 -1.648 6.207 -12.558 305 HD3 PRO 41 2HD PRO 41 -2.959 5.718 -13.651 306 H ASN 42 H ASN 42 -0.642 4.093 -10.866 307 HA ASN 42 HA ASN 42 1.809 2.726 -10.804 308 HB2 ASN 42 1HB ASN 42 0.309 4.311 -8.724 309 HB3 ASN 42 2HB ASN 42 1.884 3.596 -8.395 310 HD21 ASN 42 1HD2 ASN 42 0.775 6.419 -8.749 311 HD22 ASN 42 2HD2 ASN 42 1.909 7.167 -9.816 312 H PHE 43 H PHE 43 -0.808 2.457 -8.395 313 HA PHE 43 HA PHE 43 0.157 0.082 -7.249 314 HB2 PHE 43 1HB PHE 43 -1.483 1.672 -6.201 315 HB3 PHE 43 2HB PHE 43 -2.717 1.019 -7.273 316 HD1 PHE 43 1HD PHE 43 -2.820 -1.659 -7.225 317 HD2 PHE 43 2HD PHE 43 -1.398 0.828 -4.077 318 HE1 PHE 43 1HE PHE 43 -3.281 -3.453 -5.604 319 HE2 PHE 43 2HE PHE 43 -1.855 -0.961 -2.452 320 HZ PHE 43 HZ PHE 43 -2.797 -3.105 -3.215 321 H VAL 44 H VAL 44 0.093 -1.960 -7.907 322 HA VAL 44 HA VAL 44 -1.947 -2.760 -9.870 323 HB VAL 44 HB VAL 44 0.137 -2.424 -11.093 324 HG11 VAL 44 1HG1 VAL 44 1.575 -2.877 -9.041 325 HG12 VAL 44 2HG1 VAL 44 1.393 -4.588 -9.430 326 HG13 VAL 44 3HG1 VAL 44 2.164 -3.498 -10.583 327 HG21 VAL 44 1HG2 VAL 44 0.311 -4.620 -12.125 328 HG22 VAL 44 2HG2 VAL 44 -0.489 -5.354 -10.735 329 HG23 VAL 44 3HG2 VAL 44 -1.374 -4.235 -11.772 330 HA PRO 45 HA PRO 45 -2.539 -5.879 -6.737 331 HB2 PRO 45 1HB PRO 45 -4.588 -7.138 -7.996 332 HB3 PRO 45 2HB PRO 45 -4.790 -5.616 -7.119 333 HG2 PRO 45 1HG PRO 45 -4.478 -6.080 -10.059 334 HG3 PRO 45 2HG PRO 45 -5.586 -4.986 -9.211 335 HD2 PRO 45 1HD PRO 45 -3.292 -4.128 -10.365 336 HD3 PRO 45 2HD PRO 45 -3.963 -3.378 -8.903 337 H ALA 46 H ALA 46 -1.021 -7.421 -6.650 338 HA ALA 46 HA ALA 46 -0.146 -8.887 -8.944 339 HB1 ALA 46 1HB ALA 46 0.818 -10.258 -6.762 340 HB2 ALA 46 2HB ALA 46 1.629 -8.931 -7.593 341 HB3 ALA 46 3HB ALA 46 0.653 -8.608 -6.161 342 H ALA 47 H ALA 47 -1.467 -10.331 -9.857 343 HA ALA 47 HA ALA 47 -3.097 -12.063 -8.136 344 HB1 ALA 47 1HB ALA 47 -4.536 -12.412 -9.954 345 HB2 ALA 47 2HB ALA 47 -4.118 -10.700 -10.034 346 HB3 ALA 47 3HB ALA 47 -3.339 -11.850 -11.121 347 H PHE 48 H PHE 48 -1.969 -13.822 -7.560 348 HA PHE 48 HA PHE 48 -0.760 -15.420 -9.710 349 HB2 PHE 48 1HB PHE 48 0.434 -14.892 -6.981 350 HB3 PHE 48 2HB PHE 48 1.050 -16.078 -8.128 351 HD1 PHE 48 2HD PHE 48 0.690 -12.513 -7.386 352 HD2 PHE 48 1HD PHE 48 2.259 -15.399 -10.093 353 HE1 PHE 48 2HE PHE 48 2.076 -10.772 -8.434 354 HE2 PHE 48 1HE PHE 48 3.649 -13.662 -11.145 355 HZ PHE 48 HZ PHE 48 3.558 -11.344 -10.316 356 H VAL 49 H VAL 49 -2.297 -16.974 -9.835 357 HA VAL 49 HA VAL 49 -3.142 -18.305 -7.357 358 HB VAL 49 HB VAL 49 -4.956 -17.508 -8.800 359 HG11 VAL 49 1HG1 VAL 49 -5.338 -18.600 -10.989 360 HG12 VAL 49 2HG1 VAL 49 -3.878 -17.609 -10.955 361 HG13 VAL 49 3HG1 VAL 49 -3.756 -19.366 -10.850 362 HG21 VAL 49 1HG2 VAL 49 -5.668 -19.312 -7.550 363 HG22 VAL 49 2HG2 VAL 49 -6.020 -19.858 -9.190 364 HG23 VAL 49 3HG2 VAL 49 -4.577 -20.438 -8.358 365 H CYS 50 H CYS 50 -2.618 -20.369 -6.926 366 HA CYS 50 HA CYS 50 -0.471 -21.652 -8.011 367 HB2 CYS 50 1HB CYS 50 -1.820 -22.239 -5.906 368 HB3 CYS 50 2HB CYS 50 -2.837 -23.201 -6.973 369 H SER 51 H SER 51 -0.468 -23.820 -9.159 370 HA SER 51 HA SER 51 -2.335 -23.719 -11.438 371 HB2 SER 51 1HB SER 51 -0.521 -24.666 -12.817 372 HB3 SER 51 2HB SER 51 -0.052 -23.122 -12.106 373 HG SER 51 HG SER 51 1.638 -24.473 -11.746 374 H LYS 52 H LYS 52 -1.021 -25.594 -8.896 375 HA LYS 52 HA LYS 52 -1.699 -28.160 -10.024 376 HB2 LYS 52 1HB LYS 52 -0.699 -27.233 -7.345 377 HB3 LYS 52 2HB LYS 52 -1.258 -28.885 -7.576 378 HG2 LYS 52 1HG LYS 52 0.456 -29.374 -9.094 379 HG3 LYS 52 2HG LYS 52 0.840 -27.669 -9.340 380 HD2 LYS 52 1HD LYS 52 1.790 -27.486 -7.166 381 HD3 LYS 52 2HD LYS 52 1.174 -29.071 -6.695 382 HE2 LYS 52 1HE LYS 52 3.061 -28.779 -9.003 383 HE3 LYS 52 2HE LYS 52 3.665 -28.833 -7.348 384 HZ1 LYS 52 1HZ LYS 52 1.772 -30.909 -8.115 385 HZ2 LYS 52 2HZ LYS 52 3.145 -31.005 -7.132 386 HZ3 LYS 52 3HZ LYS 52 3.309 -30.999 -8.816 387 H CYS 53 H CYS 53 -2.972 -26.113 -7.406 388 HA CYS 53 HA CYS 53 -5.433 -27.723 -7.428 389 HB2 CYS 53 1HB CYS 53 -5.896 -26.732 -5.222 390 HB3 CYS 53 2HB CYS 53 -4.343 -27.562 -5.246 391 H GLY 54 H GLY 54 -4.297 -24.352 -7.327 392 HA2 GLY 54 1HA GLY 54 -5.297 -22.792 -8.929 393 HA3 GLY 54 2HA GLY 54 -6.837 -23.583 -8.626 394 H LYS 55 H LYS 55 -4.588 -22.840 -6.060 395 HA LYS 55 HA LYS 55 -6.592 -21.248 -4.732 396 HB2 LYS 55 1HB LYS 55 -3.945 -22.401 -4.019 397 HB3 LYS 55 2HB LYS 55 -4.478 -20.991 -3.113 398 HG2 LYS 55 1HG LYS 55 -6.399 -22.114 -2.314 399 HG3 LYS 55 2HG LYS 55 -6.175 -23.449 -3.447 400 HD2 LYS 55 1HD LYS 55 -4.015 -23.956 -2.287 401 HD3 LYS 55 2HD LYS 55 -4.446 -22.745 -1.078 402 HE2 LYS 55 1HE LYS 55 -6.349 -23.990 -0.390 403 HE3 LYS 55 2HE LYS 55 -6.211 -25.085 -1.765 404 HZ1 LYS 55 1HZ LYS 55 -5.333 -26.267 0.019 405 HZ2 LYS 55 2HZ LYS 55 -4.501 -24.932 0.639 406 HZ3 LYS 55 3HZ LYS 55 -3.959 -25.683 -0.776 407 H THR 56 H THR 56 -6.645 -19.080 -4.488 408 HA THR 56 HA THR 56 -4.896 -17.502 -6.171 409 HB THR 56 HB THR 56 -6.346 -15.583 -5.254 410 HG1 THR 56 1HG THR 56 -7.119 -17.263 -3.544 411 HG21 THR 56 1HG2 THR 56 -6.762 -17.487 -7.298 412 HG22 THR 56 2HG2 THR 56 -7.387 -15.840 -7.206 413 HG23 THR 56 3HG2 THR 56 -8.332 -17.180 -6.557 414 H PHE 57 H PHE 57 -3.253 -16.246 -5.522 415 HA PHE 57 HA PHE 57 -2.849 -15.898 -2.624 416 HB2 PHE 57 1HB PHE 57 -0.802 -16.475 -4.770 417 HB3 PHE 57 2HB PHE 57 -0.379 -15.934 -3.149 418 HD1 PHE 57 1HD PHE 57 -2.264 -18.606 -4.924 419 HD2 PHE 57 2HD PHE 57 -0.025 -17.491 -1.480 420 HE1 PHE 57 1HE PHE 57 -2.316 -20.938 -4.139 421 HE2 PHE 57 2HE PHE 57 -0.073 -19.821 -0.690 422 HZ PHE 57 HZ PHE 57 -1.219 -21.548 -2.021 423 H THR 58 H THR 58 -1.331 -14.054 -2.126 424 HA THR 58 HA THR 58 -2.143 -11.744 -3.727 425 HB THR 58 HB THR 58 -0.849 -11.822 -0.994 426 HG1 THR 58 1HG THR 58 -3.557 -11.324 -1.744 427 HG21 THR 58 1HG2 THR 58 -1.235 -9.692 -2.867 428 HG22 THR 58 2HG2 THR 58 -0.519 -9.635 -1.255 429 HG23 THR 58 3HG2 THR 58 -2.258 -9.419 -1.457 430 H ARG 59 H ARG 59 0.751 -13.316 -2.439 431 HA ARG 59 HA ARG 59 2.411 -11.511 -4.062 432 HB2 ARG 59 1HB ARG 59 3.122 -13.278 -1.717 433 HB3 ARG 59 2HB ARG 59 4.298 -12.375 -2.662 434 HG2 ARG 59 1HG ARG 59 3.342 -10.289 -1.973 435 HG3 ARG 59 2HG ARG 59 2.007 -11.119 -1.170 436 HD2 ARG 59 1HD ARG 59 3.885 -12.284 0.188 437 HD3 ARG 59 2HD ARG 59 4.885 -10.943 -0.370 438 HE ARG 59 HE ARG 59 2.380 -10.182 0.856 439 HH11 ARG 59 2HH1 ARG 59 5.771 -10.820 1.317 440 HH12 ARG 59 1HH1 ARG 59 5.881 -9.893 2.776 441 HH21 ARG 59 2HH2 ARG 59 2.511 -8.958 2.777 442 HH22 ARG 59 1HH2 ARG 59 4.026 -8.835 3.606 443 H ARG 60 H ARG 60 4.000 -12.344 -5.443 444 HA ARG 60 HA ARG 60 3.293 -14.747 -6.779 445 HB2 ARG 60 1HB ARG 60 4.371 -12.731 -7.834 446 HB3 ARG 60 2HB ARG 60 5.874 -13.205 -7.054 447 HG2 ARG 60 1HG ARG 60 4.484 -15.229 -8.717 448 HG3 ARG 60 2HG ARG 60 5.300 -13.896 -9.538 449 HD2 ARG 60 1HD ARG 60 6.743 -15.374 -7.390 450 HD3 ARG 60 2HD ARG 60 6.571 -16.127 -8.974 451 HE ARG 60 HE ARG 60 8.312 -13.984 -8.283 452 HH11 ARG 60 2HH1 ARG 60 6.374 -15.278 -10.869 453 HH12 ARG 60 1HH1 ARG 60 7.337 -14.566 -12.122 454 HH21 ARG 60 2HH2 ARG 60 9.588 -13.042 -9.922 455 HH22 ARG 60 1HH2 ARG 60 9.165 -13.295 -11.582 456 H ASN 61 H ASN 61 6.325 -13.880 -5.103 457 HA ASN 61 HA ASN 61 7.595 -16.286 -5.113 458 HB2 ASN 61 1HB ASN 61 7.483 -14.392 -2.754 459 HB3 ASN 61 2HB ASN 61 8.733 -15.596 -3.057 460 HD21 ASN 61 1HD2 ASN 61 10.523 -14.612 -3.635 461 HD22 ASN 61 2HD2 ASN 61 10.650 -13.300 -4.753 462 H THR 62 H THR 62 5.500 -15.204 -2.433 463 HA THR 62 HA THR 62 5.432 -17.426 -0.884 464 HB THR 62 HB THR 62 3.013 -15.755 -1.594 465 HG1 THR 62 1HG THR 62 4.086 -15.182 0.787 466 HG21 THR 62 1HG2 THR 62 3.532 -17.836 0.475 467 HG22 THR 62 2HG2 THR 62 2.061 -17.493 -0.435 468 HG23 THR 62 3HG2 THR 62 2.531 -16.451 0.908 469 H MET 63 H MET 63 3.438 -16.884 -3.775 470 HA MET 63 HA MET 63 2.077 -19.365 -3.630 471 HB2 MET 63 1HB MET 63 1.400 -17.281 -4.941 472 HB3 MET 63 2HB MET 63 2.566 -17.792 -6.154 473 HG2 MET 63 1HG MET 63 0.413 -19.644 -5.217 474 HG3 MET 63 2HG MET 63 0.096 -18.428 -6.452 475 HE1 MET 63 1HE MET 63 2.338 -19.338 -9.347 476 HE2 MET 63 2HE MET 63 0.589 -19.166 -9.199 477 HE3 MET 63 3HE MET 63 1.661 -18.039 -8.365 478 H ALA 64 H ALA 64 4.659 -18.285 -5.846 479 HA ALA 64 HA ALA 64 5.209 -20.487 -7.270 480 HB1 ALA 64 1HB ALA 64 7.458 -19.024 -5.917 481 HB2 ALA 64 2HB ALA 64 7.429 -19.756 -7.522 482 HB3 ALA 64 3HB ALA 64 6.495 -18.294 -7.203 483 H ARG 65 H ARG 65 6.450 -19.955 -3.972 484 HA ARG 65 HA ARG 65 7.737 -22.456 -3.751 485 HB2 ARG 65 1HB ARG 65 6.666 -20.629 -1.592 486 HB3 ARG 65 2HB ARG 65 7.743 -21.992 -1.314 487 HG2 ARG 65 1HG ARG 65 9.461 -20.916 -2.677 488 HG3 ARG 65 2HG ARG 65 8.380 -19.548 -2.955 489 HD2 ARG 65 1HD ARG 65 8.287 -19.509 -0.329 490 HD3 ARG 65 2HD ARG 65 9.821 -20.366 -0.477 491 HE ARG 65 HE ARG 65 9.777 -18.040 -2.108 492 HH11 ARG 65 2HH1 ARG 65 10.134 -19.113 1.184 493 HH12 ARG 65 1HH1 ARG 65 11.092 -17.751 1.662 494 HH21 ARG 65 2HH2 ARG 65 11.038 -16.242 -1.492 495 HH22 ARG 65 1HH2 ARG 65 11.605 -16.118 0.139 496 H HIS 66 H HIS 66 4.524 -21.344 -2.741 497 HA HIS 66 HA HIS 66 3.632 -23.552 -1.363 498 HB2 HIS 66 1HB HIS 66 2.103 -21.832 -1.314 499 HB3 HIS 66 2HB HIS 66 2.288 -21.475 -3.029 500 HD1 HIS 66 1HD HIS 66 0.739 -24.155 -0.824 501 HD2 HIS 66 2HD HIS 66 0.267 -22.422 -4.570 502 HE1 HIS 66 1HE HIS 66 -1.360 -25.165 -1.772 503 H ALA 67 H ALA 67 3.552 -23.013 -4.871 504 HA ALA 67 HA ALA 67 2.176 -25.228 -5.716 505 HB1 ALA 67 1HB ALA 67 3.935 -25.128 -7.685 506 HB2 ALA 67 2HB ALA 67 2.724 -23.865 -7.462 507 HB3 ALA 67 3HB ALA 67 4.375 -23.614 -6.895 508 H ASP 68 H ASP 68 5.725 -25.068 -5.353 509 HA ASP 68 HA ASP 68 6.433 -27.624 -5.909 510 HB2 ASP 68 1HB ASP 68 7.832 -25.594 -5.002 511 HB3 ASP 68 2HB ASP 68 7.597 -26.382 -3.445 512 H ASN 69 H ASN 69 5.557 -26.524 -2.627 513 HA ASN 69 HA ASN 69 5.476 -29.135 -1.537 514 HB2 ASN 69 1HB ASN 69 4.433 -26.468 -0.608 515 HB3 ASN 69 2HB ASN 69 4.139 -27.939 0.314 516 HD21 ASN 69 1HD2 ASN 69 6.773 -26.136 -1.220 517 HD22 ASN 69 2HD2 ASN 69 7.944 -26.466 0.007 518 H CYS 70 H CYS 70 3.304 -27.409 -3.502 519 HA CYS 70 HA CYS 70 0.922 -28.777 -2.599 520 HB2 CYS 70 1HB CYS 70 0.818 -26.466 -3.474 521 HB3 CYS 70 2HB CYS 70 1.358 -27.050 -5.045 522 H ALA 71 H ALA 71 -0.406 -30.055 -4.105 523 HA ALA 71 HA ALA 71 1.172 -31.508 -6.114 524 HB1 ALA 71 1HB ALA 71 1.026 -33.470 -5.073 525 HB2 ALA 71 2HB ALA 71 0.520 -32.571 -3.642 526 HB3 ALA 71 3HB ALA 71 -0.690 -33.246 -4.734 527 H GLY 72 H GLY 72 -1.986 -30.580 -4.867 528 HA2 GLY 72 1HA GLY 72 -3.232 -29.849 -7.125 529 HA3 GLY 72 2HA GLY 72 -3.357 -31.600 -7.215 530 HA PRO 73 HA PRO 73 -6.971 -29.843 -4.816 531 HB2 PRO 73 1HB PRO 73 -8.898 -30.953 -6.374 532 HB3 PRO 73 2HB PRO 73 -8.188 -29.368 -6.706 533 HG2 PRO 73 1HG PRO 73 -7.556 -32.022 -7.939 534 HG3 PRO 73 2HG PRO 73 -7.743 -30.441 -8.721 535 HD2 PRO 73 1HD PRO 73 -5.320 -31.518 -8.173 536 HD3 PRO 73 2HD PRO 73 -5.614 -29.768 -8.152 537 H ASP 74 H ASP 74 -8.035 -30.969 -3.255 538 HA ASP 74 HA ASP 74 -8.193 -32.727 -1.767 539 HB2 ASP 74 1HB ASP 74 -9.544 -33.677 -4.291 540 HB3 ASP 74 2HB ASP 74 -9.635 -34.574 -2.778 541 H GLY 75 H GLY 75 -5.629 -32.726 -2.860 542 HA2 GLY 75 1HA GLY 75 -4.954 -35.521 -2.534 543 HA3 GLY 75 2HA GLY 75 -4.597 -34.872 -4.128 544 H VAL 76 H VAL 76 -3.976 -34.388 -0.675 545 HA VAL 76 HA VAL 76 -1.570 -32.853 -1.317 546 HB VAL 76 HB VAL 76 -2.861 -33.418 1.356 547 HG11 VAL 76 1HG1 VAL 76 -1.326 -31.719 2.231 548 HG12 VAL 76 2HG1 VAL 76 -0.456 -33.106 1.574 549 HG13 VAL 76 3HG1 VAL 76 -0.555 -31.606 0.650 550 HG21 VAL 76 1HG2 VAL 76 -2.960 -30.710 0.904 551 HG22 VAL 76 2HG2 VAL 76 -3.293 -31.386 -0.691 552 HG23 VAL 76 3HG2 VAL 76 -4.298 -31.839 0.687 553 H GLU 77 H GLU 77 0.459 -33.592 -1.011 554 HA GLU 77 HA GLU 77 0.796 -36.210 0.288 555 HB2 GLU 77 1HB GLU 77 2.438 -36.838 -1.417 556 HB3 GLU 77 2HB GLU 77 0.861 -36.536 -2.134 557 HG2 GLU 77 1HG GLU 77 1.638 -34.274 -2.774 558 HG3 GLU 77 2HG GLU 77 3.238 -34.692 -2.164 559 H GLY 78 H GLY 78 2.392 -36.307 1.750 560 HA2 GLY 78 1HA GLY 78 4.834 -35.575 2.035 561 HA3 GLY 78 2HA GLY 78 4.154 -33.956 1.972 562 H GLU 79 H GLU 79 5.533 -35.755 4.084 563 HA GLU 79 HA GLU 79 3.678 -35.035 6.249 564 HB2 GLU 79 1HB GLU 79 4.998 -37.660 5.718 565 HB3 GLU 79 2HB GLU 79 4.779 -37.154 7.388 566 HG2 GLU 79 1HG GLU 79 2.613 -37.485 5.325 567 HG3 GLU 79 2HG GLU 79 2.950 -38.564 6.678 568 H ASN 80 H ASN 80 4.914 -35.231 8.441 569 HA ASN 80 HA ASN 80 6.450 -34.211 9.783 570 HB2 ASN 80 1HB ASN 80 7.660 -36.287 8.772 571 HB3 ASN 80 2HB ASN 80 8.582 -35.094 7.861 572 HD21 ASN 80 1HD2 ASN 80 8.956 -37.010 10.302 573 HD22 ASN 80 2HD2 ASN 80 9.868 -36.034 11.397 574 H SER 81 H SER 81 5.282 -32.447 8.003 575 HA SER 81 HA SER 81 6.623 -30.897 6.300 576 HB2 SER 81 1HB SER 81 5.339 -29.012 7.002 577 HB3 SER 81 2HB SER 81 4.345 -30.433 7.321 578 HG SER 81 HG SER 81 4.882 -30.289 9.488 579 H GLY 82 H GLY 82 8.228 -29.366 6.259 580 HA2 GLY 82 1HA GLY 82 9.517 -28.549 8.734 581 HA3 GLY 82 2HA GLY 82 10.489 -29.553 7.668 582 HA PRO 83 HA PRO 83 10.426 -24.909 6.465 583 HB2 PRO 83 1HB PRO 83 12.670 -24.061 7.736 584 HB3 PRO 83 2HB PRO 83 11.061 -23.971 8.463 585 HG2 PRO 83 1HG PRO 83 13.219 -26.003 8.882 586 HG3 PRO 83 2HG PRO 83 12.167 -25.225 10.080 587 HD2 PRO 83 1HD PRO 83 11.712 -27.726 9.149 588 HD3 PRO 83 2HD PRO 83 10.399 -26.632 9.628 589 H SER 84 H SER 84 12.449 -27.618 6.400 590 HA SER 84 HA SER 84 14.196 -26.398 4.369 591 HB2 SER 84 1HB SER 84 15.760 -28.243 4.817 592 HB3 SER 84 2HB SER 84 15.397 -27.350 6.293 593 HG SER 84 HG SER 84 15.084 -29.941 5.829 594 H SER 85 H SER 85 14.998 -28.157 2.749 595 HA SER 85 HA SER 85 13.205 -30.253 2.058 596 HB2 SER 85 1HB SER 85 11.881 -28.207 1.392 597 HB3 SER 85 2HB SER 85 13.141 -27.863 0.206 598 HG SER 85 HG SER 85 12.172 -29.226 -1.047 599 H GLY 86 H GLY 86 14.351 -31.723 0.983 600 HA2 GLY 86 1HA GLY 86 16.283 -32.648 0.079 601 HA3 GLY 86 2HA GLY 86 15.838 -31.577 -1.241 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -31.635 15.262 14.480 2 HA2 GLY 1 1HA GLY 1 -31.288 17.432 15.204 3 HA3 GLY 1 2HA GLY 1 -31.721 16.921 16.829 4 H SER 2 H SER 2 -30.116 16.105 18.212 5 HA SER 2 HA SER 2 -27.349 16.498 17.283 6 HB2 SER 2 1HB SER 2 -28.671 17.534 19.779 7 HB3 SER 2 2HB SER 2 -26.927 17.277 19.717 8 HG SER 2 HG SER 2 -27.308 18.577 17.589 9 H SER 3 H SER 3 -27.266 14.210 16.984 10 HA SER 3 HA SER 3 -27.556 12.521 19.333 11 HB2 SER 3 1HB SER 3 -26.929 11.930 16.438 12 HB3 SER 3 2HB SER 3 -26.917 10.690 17.692 13 HG SER 3 HG SER 3 -29.082 12.197 16.704 14 H GLY 4 H GLY 4 -24.994 13.066 16.902 15 HA2 GLY 4 1HA GLY 4 -22.728 13.494 17.354 16 HA3 GLY 4 2HA GLY 4 -23.003 13.059 19.034 17 H SER 5 H SER 5 -23.072 10.835 19.615 18 HA SER 5 HA SER 5 -22.173 8.927 17.590 19 HB2 SER 5 1HB SER 5 -20.294 8.172 18.886 20 HB3 SER 5 2HB SER 5 -20.149 9.921 18.711 21 HG SER 5 HG SER 5 -19.927 9.794 20.813 22 H SER 6 H SER 6 -23.338 7.137 17.735 23 HA SER 6 HA SER 6 -24.119 6.096 20.339 24 HB2 SER 6 1HB SER 6 -26.031 7.462 19.853 25 HB3 SER 6 2HB SER 6 -26.103 6.872 18.193 26 HG SER 6 HG SER 6 -26.254 4.976 20.226 27 H GLY 7 H GLY 7 -24.588 3.880 20.341 28 HA2 GLY 7 1HA GLY 7 -23.364 2.422 18.172 29 HA3 GLY 7 2HA GLY 7 -24.000 1.741 19.662 30 H ARG 8 H ARG 8 -24.668 2.557 16.367 31 HA ARG 8 HA ARG 8 -27.288 1.230 16.608 32 HB2 ARG 8 1HB ARG 8 -28.142 2.629 14.835 33 HB3 ARG 8 2HB ARG 8 -27.479 3.653 16.102 34 HG2 ARG 8 1HG ARG 8 -25.421 3.917 14.768 35 HG3 ARG 8 2HG ARG 8 -26.166 2.966 13.482 36 HD2 ARG 8 1HD ARG 8 -27.181 5.586 14.581 37 HD3 ARG 8 2HD ARG 8 -26.367 5.353 13.034 38 HE ARG 8 HE ARG 8 -28.763 3.782 13.390 39 HH11 ARG 8 2HH1 ARG 8 -27.403 6.781 12.260 40 HH12 ARG 8 1HH1 ARG 8 -28.719 7.124 11.186 41 HH21 ARG 8 2HH2 ARG 8 -30.501 4.222 11.979 42 HH22 ARG 8 1HH2 ARG 8 -30.481 5.668 11.028 43 H THR 9 H THR 9 -27.948 -0.075 14.834 44 HA THR 9 HA THR 9 -25.916 -1.694 13.761 45 HB THR 9 HB THR 9 -27.722 -2.670 12.333 46 HG1 THR 9 1HG THR 9 -29.475 -0.899 13.695 47 HG21 THR 9 1HG2 THR 9 -28.755 -3.790 14.093 48 HG22 THR 9 2HG2 THR 9 -28.778 -2.358 15.121 49 HG23 THR 9 3HG2 THR 9 -27.261 -3.208 14.827 50 H HIS 10 H HIS 10 -25.541 -2.115 11.441 51 HA HIS 10 HA HIS 10 -24.389 -0.127 10.063 52 HB2 HIS 10 1HB HIS 10 -24.800 -1.390 7.980 53 HB3 HIS 10 2HB HIS 10 -24.312 -2.442 9.305 54 HD1 HIS 10 1HD HIS 10 -27.292 -1.543 7.203 55 HD2 HIS 10 2HD HIS 10 -26.184 -4.340 10.069 56 HE1 HIS 10 1HE HIS 10 -29.125 -3.266 7.205 57 H THR 11 H THR 11 -24.932 1.653 8.959 58 HA THR 11 HA THR 11 -27.523 2.731 9.121 59 HB THR 11 HB THR 11 -25.357 3.574 7.189 60 HG1 THR 11 1HG THR 11 -25.639 3.888 9.953 61 HG21 THR 11 1HG2 THR 11 -27.879 4.816 8.201 62 HG22 THR 11 2HG2 THR 11 -27.218 4.791 6.567 63 HG23 THR 11 3HG2 THR 11 -26.511 5.848 7.788 64 H GLY 12 H GLY 12 -25.744 1.489 6.285 65 HA2 GLY 12 1HA GLY 12 -28.056 0.266 5.172 66 HA3 GLY 12 2HA GLY 12 -27.741 1.806 4.386 67 H GLU 13 H GLU 13 -25.085 1.941 4.130 68 HA GLU 13 HA GLU 13 -24.070 -0.557 3.054 69 HB2 GLU 13 1HB GLU 13 -25.469 0.733 1.277 70 HB3 GLU 13 2HB GLU 13 -24.084 1.815 1.217 71 HG2 GLU 13 1HG GLU 13 -22.728 0.261 0.246 72 HG3 GLU 13 2HG GLU 13 -23.596 -1.101 0.954 73 H LYS 14 H LYS 14 -21.830 -0.048 1.959 74 HA LYS 14 HA LYS 14 -20.033 0.700 3.859 75 HB2 LYS 14 1HB LYS 14 -19.877 0.813 0.859 76 HB3 LYS 14 2HB LYS 14 -18.509 1.299 1.852 77 HG2 LYS 14 1HG LYS 14 -17.931 -0.859 1.627 78 HG3 LYS 14 2HG LYS 14 -19.062 -1.085 2.964 79 HD2 LYS 14 1HD LYS 14 -19.883 -2.651 1.525 80 HD3 LYS 14 2HD LYS 14 -20.801 -1.251 0.965 81 HE2 LYS 14 1HE LYS 14 -19.236 -0.887 -0.830 82 HE3 LYS 14 2HE LYS 14 -18.185 -2.166 -0.224 83 HZ1 LYS 14 1HZ LYS 14 -19.415 -3.726 -1.204 84 HZ2 LYS 14 2HZ LYS 14 -20.108 -2.473 -2.104 85 HZ3 LYS 14 3HZ LYS 14 -20.879 -3.038 -0.709 86 HA PRO 15 HA PRO 15 -20.659 5.069 4.325 87 HB2 PRO 15 1HB PRO 15 -18.564 5.504 5.996 88 HB3 PRO 15 2HB PRO 15 -20.075 4.755 6.524 89 HG2 PRO 15 1HG PRO 15 -17.477 3.463 5.787 90 HG3 PRO 15 2HG PRO 15 -18.564 3.097 7.139 91 HD2 PRO 15 1HD PRO 15 -18.513 1.620 4.871 92 HD3 PRO 15 2HD PRO 15 -19.994 1.861 5.820 93 H TYR 16 H TYR 16 -17.389 3.787 3.744 94 HA TYR 16 HA TYR 16 -16.353 6.234 2.730 95 HB2 TYR 16 1HB TYR 16 -15.321 3.422 2.312 96 HB3 TYR 16 2HB TYR 16 -14.417 4.909 2.051 97 HD1 TYR 16 2HD TYR 16 -15.994 2.789 4.640 98 HD2 TYR 16 1HD TYR 16 -13.336 6.015 3.847 99 HE1 TYR 16 2HE TYR 16 -15.233 2.729 6.978 100 HE2 TYR 16 1HE TYR 16 -12.566 5.963 6.183 101 HH TYR 16 HH TYR 16 -12.523 4.636 8.078 102 H ALA 17 H ALA 17 -17.347 7.104 1.004 103 HA ALA 17 HA ALA 17 -17.751 5.389 -1.359 104 HB1 ALA 17 1HB ALA 17 -19.327 7.646 -0.236 105 HB2 ALA 17 2HB ALA 17 -19.303 7.428 -1.986 106 HB3 ALA 17 3HB ALA 17 -19.873 6.125 -0.943 107 H CYS 18 H CYS 18 -16.161 5.658 -2.779 108 HA CYS 18 HA CYS 18 -14.283 7.656 -2.881 109 HB2 CYS 18 1HB CYS 18 -14.360 5.450 -4.180 110 HB3 CYS 18 2HB CYS 18 -15.322 6.316 -5.374 111 H SER 19 H SER 19 -14.006 9.557 -4.054 112 HA SER 19 HA SER 19 -16.484 10.961 -4.647 113 HB2 SER 19 1HB SER 19 -13.624 11.817 -4.271 114 HB3 SER 19 2HB SER 19 -14.811 12.915 -4.976 115 HG SER 19 HG SER 19 -14.395 12.624 -2.475 116 H HIS 20 H HIS 20 -13.504 9.981 -6.276 117 HA HIS 20 HA HIS 20 -13.971 11.236 -8.739 118 HB2 HIS 20 1HB HIS 20 -12.326 8.893 -7.862 119 HB3 HIS 20 2HB HIS 20 -12.513 9.218 -9.583 120 HD1 HIS 20 1HD HIS 20 -12.023 11.767 -6.817 121 HD2 HIS 20 2HD HIS 20 -10.084 10.292 -10.182 122 HE1 HIS 20 1HE HIS 20 -10.000 13.230 -7.123 123 H CYS 21 H CYS 21 -14.894 8.030 -7.553 124 HA CYS 21 HA CYS 21 -16.733 7.808 -9.844 125 HB2 CYS 21 1HB CYS 21 -16.404 5.400 -9.844 126 HB3 CYS 21 2HB CYS 21 -14.850 6.208 -10.019 127 H ASP 22 H ASP 22 -18.358 5.871 -9.245 128 HA ASP 22 HA ASP 22 -19.623 6.736 -6.747 129 HB2 ASP 22 1HB ASP 22 -20.762 6.641 -9.123 130 HB3 ASP 22 2HB ASP 22 -20.979 4.941 -8.717 131 H LYS 23 H LYS 23 -17.441 5.091 -6.392 132 HA LYS 23 HA LYS 23 -18.567 2.436 -5.840 133 HB2 LYS 23 1HB LYS 23 -15.727 3.435 -6.037 134 HB3 LYS 23 2HB LYS 23 -16.130 1.842 -5.409 135 HG2 LYS 23 1HG LYS 23 -17.220 2.607 -8.061 136 HG3 LYS 23 2HG LYS 23 -15.500 2.227 -7.941 137 HD2 LYS 23 1HD LYS 23 -16.010 0.056 -7.000 138 HD3 LYS 23 2HD LYS 23 -17.734 0.437 -6.985 139 HE2 LYS 23 1HE LYS 23 -16.271 0.633 -9.566 140 HE3 LYS 23 2HE LYS 23 -16.629 -0.973 -8.934 141 HZ1 LYS 23 1HZ LYS 23 -18.801 0.984 -8.990 142 HZ2 LYS 23 2HZ LYS 23 -18.851 -0.692 -9.215 143 HZ3 LYS 23 3HZ LYS 23 -18.314 0.313 -10.465 144 H THR 24 H THR 24 -18.113 1.424 -3.785 145 HA THR 24 HA THR 24 -17.513 3.289 -1.597 146 HB THR 24 HB THR 24 -19.352 2.425 -0.250 147 HG1 THR 24 1HG THR 24 -20.948 1.095 -1.391 148 HG21 THR 24 1HG2 THR 24 -20.811 3.101 -2.730 149 HG22 THR 24 2HG2 THR 24 -19.581 4.255 -2.212 150 HG23 THR 24 3HG2 THR 24 -20.903 3.827 -1.126 151 H PHE 25 H PHE 25 -16.782 2.289 0.348 152 HA PHE 25 HA PHE 25 -16.183 -0.561 0.247 153 HB2 PHE 25 1HB PHE 25 -13.965 1.385 0.853 154 HB3 PHE 25 2HB PHE 25 -13.845 -0.340 0.522 155 HD1 PHE 25 1HD PHE 25 -14.824 2.876 -1.068 156 HD2 PHE 25 2HD PHE 25 -13.325 -1.071 -1.610 157 HE1 PHE 25 1HE PHE 25 -14.395 3.369 -3.440 158 HE2 PHE 25 2HE PHE 25 -12.892 -0.584 -3.983 159 HZ PHE 25 HZ PHE 25 -13.427 1.638 -4.901 160 H ARG 26 H ARG 26 -15.554 -1.446 2.301 161 HA ARG 26 HA ARG 26 -16.927 -0.208 4.483 162 HB2 ARG 26 1HB ARG 26 -15.169 -2.667 4.413 163 HB3 ARG 26 2HB ARG 26 -16.176 -2.181 5.770 164 HG2 ARG 26 1HG ARG 26 -18.155 -2.650 4.624 165 HG3 ARG 26 2HG ARG 26 -17.345 -2.670 3.056 166 HD2 ARG 26 1HD ARG 26 -17.576 -4.916 3.412 167 HD3 ARG 26 2HD ARG 26 -15.999 -4.649 4.154 168 HE ARG 26 HE ARG 26 -18.465 -5.331 5.495 169 HH11 ARG 26 2HH1 ARG 26 -15.248 -4.040 5.813 170 HH12 ARG 26 1HH1 ARG 26 -15.133 -4.393 7.505 171 HH21 ARG 26 2HH2 ARG 26 -18.326 -5.800 7.723 172 HH22 ARG 26 1HH2 ARG 26 -16.884 -5.395 8.591 173 H GLN 27 H GLN 27 -13.522 -1.181 4.037 174 HA GLN 27 HA GLN 27 -12.762 0.667 6.177 175 HB2 GLN 27 1HB GLN 27 -11.441 -1.692 4.888 176 HB3 GLN 27 2HB GLN 27 -10.461 -0.498 5.728 177 HG2 GLN 27 1HG GLN 27 -11.917 -0.855 7.735 178 HG3 GLN 27 2HG GLN 27 -12.653 -2.205 6.872 179 HE21 GLN 27 1HE2 GLN 27 -11.875 -4.076 7.493 180 HE22 GLN 27 2HE2 GLN 27 -10.245 -4.406 7.958 181 H LYS 28 H LYS 28 -11.444 2.402 5.867 182 HA LYS 28 HA LYS 28 -11.430 3.738 3.447 183 HB2 LYS 28 1HB LYS 28 -9.660 5.165 4.426 184 HB3 LYS 28 2HB LYS 28 -10.996 4.886 5.535 185 HG2 LYS 28 1HG LYS 28 -9.737 3.433 6.868 186 HG3 LYS 28 2HG LYS 28 -8.505 3.220 5.622 187 HD2 LYS 28 1HD LYS 28 -7.476 4.668 7.115 188 HD3 LYS 28 2HD LYS 28 -8.130 5.768 5.899 189 HE2 LYS 28 1HE LYS 28 -8.591 6.637 8.102 190 HE3 LYS 28 2HE LYS 28 -10.100 6.135 7.343 191 HZ1 LYS 28 1HZ LYS 28 -9.145 3.934 8.721 192 HZ2 LYS 28 2HZ LYS 28 -10.479 4.895 9.120 193 HZ3 LYS 28 3HZ LYS 28 -8.957 5.248 9.770 194 H GLN 29 H GLN 29 -9.271 1.282 4.619 195 HA GLN 29 HA GLN 29 -7.046 1.717 2.999 196 HB2 GLN 29 1HB GLN 29 -7.290 0.048 4.894 197 HB3 GLN 29 2HB GLN 29 -8.110 -1.004 3.748 198 HG2 GLN 29 1HG GLN 29 -5.728 -1.550 4.042 199 HG3 GLN 29 2HG GLN 29 -6.148 -1.142 2.379 200 HE21 GLN 29 1HE2 GLN 29 -4.967 0.336 1.381 201 HE22 GLN 29 2HE2 GLN 29 -3.853 1.416 2.139 202 H LEU 30 H LEU 30 -9.926 -0.273 2.370 203 HA LEU 30 HA LEU 30 -9.182 -1.179 -0.170 204 HB2 LEU 30 1HB LEU 30 -11.878 -0.716 1.079 205 HB3 LEU 30 2HB LEU 30 -11.676 -1.437 -0.516 206 HG LEU 30 HG LEU 30 -12.045 -3.197 1.048 207 HD11 LEU 30 1HD1 LEU 30 -10.033 -4.520 0.781 208 HD12 LEU 30 2HD1 LEU 30 -9.098 -3.069 0.423 209 HD13 LEU 30 3HD1 LEU 30 -10.357 -3.602 -0.690 210 HD21 LEU 30 1HD2 LEU 30 -11.113 -3.393 3.120 211 HD22 LEU 30 2HD2 LEU 30 -11.099 -1.636 2.962 212 HD23 LEU 30 3HD2 LEU 30 -9.628 -2.562 2.655 213 H LEU 31 H LEU 31 -11.131 1.641 0.770 214 HA LEU 31 HA LEU 31 -11.578 2.557 -1.870 215 HB2 LEU 31 1HB LEU 31 -13.052 3.343 -0.225 216 HB3 LEU 31 2HB LEU 31 -11.736 3.849 0.833 217 HG LEU 31 HG LEU 31 -11.253 5.733 -0.586 218 HD11 LEU 31 1HD1 LEU 31 -12.760 4.207 -2.522 219 HD12 LEU 31 2HD1 LEU 31 -11.642 5.549 -2.766 220 HD13 LEU 31 3HD1 LEU 31 -13.340 5.869 -2.412 221 HD21 LEU 31 1HD2 LEU 31 -13.315 6.999 -0.328 222 HD22 LEU 31 2HD2 LEU 31 -13.017 5.996 1.091 223 HD23 LEU 31 3HD2 LEU 31 -14.221 5.504 -0.101 224 H ASP 32 H ASP 32 -8.893 2.786 0.269 225 HA ASP 32 HA ASP 32 -7.698 5.087 -0.976 226 HB2 ASP 32 1HB ASP 32 -7.327 4.268 1.429 227 HB3 ASP 32 2HB ASP 32 -6.253 3.062 0.725 228 H MET 33 H MET 33 -7.109 1.583 -1.038 229 HA MET 33 HA MET 33 -4.990 1.751 -2.937 230 HB2 MET 33 1HB MET 33 -5.238 -0.702 -3.093 231 HB3 MET 33 2HB MET 33 -5.137 -0.144 -1.429 232 HG2 MET 33 1HG MET 33 -7.513 -0.393 -1.150 233 HG3 MET 33 2HG MET 33 -7.701 -0.811 -2.851 234 HE1 MET 33 1HE MET 33 -8.568 -3.769 -2.675 235 HE2 MET 33 2HE MET 33 -7.718 -2.692 -3.784 236 HE3 MET 33 3HE MET 33 -6.996 -4.235 -3.326 237 H HIS 34 H HIS 34 -8.464 1.270 -3.142 238 HA HIS 34 HA HIS 34 -8.681 0.394 -5.773 239 HB2 HIS 34 1HB HIS 34 -10.715 0.301 -4.726 240 HB3 HIS 34 2HB HIS 34 -10.467 1.821 -3.873 241 HD1 HIS 34 1HD HIS 34 -11.844 0.397 -7.020 242 HD2 HIS 34 2HD HIS 34 -11.240 4.130 -5.300 243 HE1 HIS 34 1HE HIS 34 -13.188 2.004 -8.412 244 H PHE 35 H PHE 35 -8.554 3.705 -4.503 245 HA PHE 35 HA PHE 35 -8.882 5.012 -6.976 246 HB2 PHE 35 1HB PHE 35 -9.158 6.114 -4.772 247 HB3 PHE 35 2HB PHE 35 -7.419 6.006 -4.522 248 HD1 PHE 35 2HD PHE 35 -5.956 7.085 -6.409 249 HD2 PHE 35 1HD PHE 35 -10.039 8.036 -5.673 250 HE1 PHE 35 2HE PHE 35 -5.657 9.241 -7.556 251 HE2 PHE 35 1HE PHE 35 -9.747 10.193 -6.820 252 HZ PHE 35 HZ PHE 35 -7.554 10.799 -7.762 253 H LYS 36 H LYS 36 -5.913 4.426 -5.088 254 HA LYS 36 HA LYS 36 -4.148 5.353 -7.083 255 HB2 LYS 36 1HB LYS 36 -3.852 3.698 -4.608 256 HB3 LYS 36 2HB LYS 36 -2.501 3.814 -5.727 257 HG2 LYS 36 1HG LYS 36 -3.886 6.203 -4.534 258 HG3 LYS 36 2HG LYS 36 -2.453 5.443 -3.838 259 HD2 LYS 36 1HD LYS 36 -2.403 6.241 -6.709 260 HD3 LYS 36 2HD LYS 36 -2.247 7.495 -5.476 261 HE2 LYS 36 1HE LYS 36 -0.054 6.986 -5.623 262 HE3 LYS 36 2HE LYS 36 -0.500 5.677 -4.529 263 HZ1 LYS 36 1HZ LYS 36 0.568 4.502 -6.133 264 HZ2 LYS 36 2HZ LYS 36 0.164 5.577 -7.375 265 HZ3 LYS 36 3HZ LYS 36 -0.986 4.476 -6.802 266 H ARG 37 H ARG 37 -6.081 2.646 -7.054 267 HA ARG 37 HA ARG 37 -4.237 1.004 -8.621 268 HB2 ARG 37 1HB ARG 37 -5.429 -0.192 -6.909 269 HB3 ARG 37 2HB ARG 37 -6.971 0.444 -7.467 270 HG2 ARG 37 1HG ARG 37 -6.616 -0.781 -9.610 271 HG3 ARG 37 2HG ARG 37 -5.193 -1.527 -8.881 272 HD2 ARG 37 1HD ARG 37 -6.508 -2.611 -7.225 273 HD3 ARG 37 2HD ARG 37 -7.936 -1.671 -7.652 274 HE ARG 37 HE ARG 37 -6.984 -3.214 -9.850 275 HH11 ARG 37 2HH1 ARG 37 -8.811 -3.389 -6.892 276 HH12 ARG 37 1HH1 ARG 37 -9.751 -4.752 -7.400 277 HH21 ARG 37 2HH2 ARG 37 -8.215 -5.010 -10.531 278 HH22 ARG 37 1HH2 ARG 37 -9.411 -5.674 -9.470 279 H TYR 38 H TYR 38 -7.649 2.022 -8.887 280 HA TYR 38 HA TYR 38 -7.672 1.562 -11.720 281 HB2 TYR 38 1HB TYR 38 -9.655 2.649 -9.744 282 HB3 TYR 38 2HB TYR 38 -9.960 2.769 -11.473 283 HD1 TYR 38 1HD TYR 38 -8.917 0.203 -8.959 284 HD2 TYR 38 2HD TYR 38 -11.174 1.075 -12.459 285 HE1 TYR 38 1HE TYR 38 -9.797 -2.094 -8.956 286 HE2 TYR 38 2HE TYR 38 -12.061 -1.219 -12.465 287 HH TYR 38 HH TYR 38 -11.571 -3.387 -9.808 288 H HIS 39 H HIS 39 -8.368 4.519 -9.848 289 HA HIS 39 HA HIS 39 -8.152 6.303 -11.969 290 HB2 HIS 39 1HB HIS 39 -7.574 6.774 -9.037 291 HB3 HIS 39 2HB HIS 39 -7.805 8.044 -10.234 292 HD1 HIS 39 1HD HIS 39 -10.287 7.307 -11.661 293 HD2 HIS 39 2HD HIS 39 -9.838 6.656 -7.582 294 HE1 HIS 39 1HE HIS 39 -12.623 7.163 -10.742 295 H ASP 40 H ASP 40 -5.719 4.511 -10.447 296 HA ASP 40 HA ASP 40 -3.679 5.971 -11.938 297 HB2 ASP 40 1HB ASP 40 -3.509 5.396 -8.974 298 HB3 ASP 40 2HB ASP 40 -2.135 5.882 -9.963 299 HA PRO 41 HA PRO 41 -2.776 1.714 -12.879 300 HB2 PRO 41 1HB PRO 41 -0.723 2.235 -14.578 301 HB3 PRO 41 2HB PRO 41 -2.420 2.428 -15.033 302 HG2 PRO 41 1HG PRO 41 -0.445 4.501 -14.159 303 HG3 PRO 41 2HG PRO 41 -1.636 4.573 -15.472 304 HD2 PRO 41 1HD PRO 41 -2.049 5.743 -13.065 305 HD3 PRO 41 2HD PRO 41 -3.372 5.070 -14.039 306 H ASN 42 H ASN 42 -1.021 3.856 -11.029 307 HA ASN 42 HA ASN 42 1.512 2.638 -10.876 308 HB2 ASN 42 1HB ASN 42 0.011 4.222 -8.778 309 HB3 ASN 42 2HB ASN 42 1.729 3.835 -8.720 310 HD21 ASN 42 1HD2 ASN 42 -0.176 6.301 -9.180 311 HD22 ASN 42 2HD2 ASN 42 0.670 7.179 -10.404 312 H PHE 43 H PHE 43 -1.191 2.419 -8.554 313 HA PHE 43 HA PHE 43 -0.041 0.212 -7.171 314 HB2 PHE 43 1HB PHE 43 -1.640 1.859 -6.163 315 HB3 PHE 43 2HB PHE 43 -2.923 1.125 -7.119 316 HD1 PHE 43 1HD PHE 43 -2.963 -1.560 -6.871 317 HD2 PHE 43 2HD PHE 43 -1.489 1.196 -3.982 318 HE1 PHE 43 1HE PHE 43 -3.331 -3.226 -5.098 319 HE2 PHE 43 2HE PHE 43 -1.853 -0.466 -2.205 320 HZ PHE 43 HZ PHE 43 -2.775 -2.681 -2.762 321 H VAL 44 H VAL 44 -0.161 -1.897 -7.588 322 HA VAL 44 HA VAL 44 -2.322 -2.918 -9.280 323 HB VAL 44 HB VAL 44 -0.470 -2.517 -10.818 324 HG11 VAL 44 1HG1 VAL 44 1.320 -2.685 -9.082 325 HG12 VAL 44 2HG1 VAL 44 1.146 -4.440 -9.153 326 HG13 VAL 44 3HG1 VAL 44 1.673 -3.546 -10.580 327 HG21 VAL 44 1HG2 VAL 44 -1.326 -5.291 -10.169 328 HG22 VAL 44 2HG2 VAL 44 -1.648 -4.315 -11.603 329 HG23 VAL 44 3HG2 VAL 44 -0.067 -5.065 -11.384 330 HA PRO 45 HA PRO 45 -2.208 -5.872 -5.939 331 HB2 PRO 45 1HB PRO 45 -4.323 -7.337 -6.805 332 HB3 PRO 45 2HB PRO 45 -4.503 -5.782 -5.984 333 HG2 PRO 45 1HG PRO 45 -4.600 -6.401 -8.911 334 HG3 PRO 45 2HG PRO 45 -5.647 -5.333 -7.958 335 HD2 PRO 45 1HD PRO 45 -3.621 -4.398 -9.492 336 HD3 PRO 45 2HD PRO 45 -4.120 -3.607 -7.983 337 H ALA 46 H ALA 46 -0.971 -7.629 -5.770 338 HA ALA 46 HA ALA 46 0.023 -8.969 -8.097 339 HB1 ALA 46 1HB ALA 46 1.694 -9.509 -6.740 340 HB2 ALA 46 2HB ALA 46 0.860 -8.648 -5.447 341 HB3 ALA 46 3HB ALA 46 0.603 -10.380 -5.662 342 H ALA 47 H ALA 47 -1.233 -10.345 -9.181 343 HA ALA 47 HA ALA 47 -2.894 -12.232 -7.643 344 HB1 ALA 47 1HB ALA 47 -3.639 -10.482 -9.684 345 HB2 ALA 47 2HB ALA 47 -3.612 -12.081 -10.429 346 HB3 ALA 47 3HB ALA 47 -4.600 -11.792 -8.996 347 H PHE 48 H PHE 48 -1.747 -14.063 -7.453 348 HA PHE 48 HA PHE 48 -0.658 -15.243 -9.921 349 HB2 PHE 48 1HB PHE 48 0.572 -15.279 -7.159 350 HB3 PHE 48 2HB PHE 48 1.130 -16.276 -8.499 351 HD1 PHE 48 2HD PHE 48 0.573 -12.741 -7.504 352 HD2 PHE 48 1HD PHE 48 2.710 -15.458 -9.986 353 HE1 PHE 48 2HE PHE 48 2.027 -10.904 -8.257 354 HE2 PHE 48 1HE PHE 48 4.168 -13.626 -10.743 355 HZ PHE 48 HZ PHE 48 3.827 -11.345 -9.879 356 H VAL 49 H VAL 49 -2.082 -16.804 -10.388 357 HA VAL 49 HA VAL 49 -3.214 -18.434 -8.244 358 HB VAL 49 HB VAL 49 -3.860 -18.216 -11.180 359 HG11 VAL 49 1HG1 VAL 49 -4.740 -20.253 -11.155 360 HG12 VAL 49 2HG1 VAL 49 -4.221 -20.474 -9.483 361 HG13 VAL 49 3HG1 VAL 49 -5.801 -19.771 -9.831 362 HG21 VAL 49 1HG2 VAL 49 -6.106 -17.576 -10.205 363 HG22 VAL 49 2HG2 VAL 49 -5.297 -17.476 -8.642 364 HG23 VAL 49 3HG2 VAL 49 -4.798 -16.418 -9.962 365 H CYS 50 H CYS 50 -2.727 -20.531 -7.905 366 HA CYS 50 HA CYS 50 -0.328 -21.623 -8.761 367 HB2 CYS 50 1HB CYS 50 -2.028 -22.308 -6.846 368 HB3 CYS 50 2HB CYS 50 -2.569 -23.466 -8.057 369 H SER 51 H SER 51 -0.196 -23.847 -9.887 370 HA SER 51 HA SER 51 -1.887 -23.822 -12.299 371 HB2 SER 51 1HB SER 51 0.207 -22.973 -13.035 372 HB3 SER 51 2HB SER 51 1.106 -24.159 -12.088 373 HG SER 51 HG SER 51 -0.650 -24.904 -14.177 374 H LYS 52 H LYS 52 -0.544 -25.581 -9.715 375 HA LYS 52 HA LYS 52 -0.833 -28.184 -10.946 376 HB2 LYS 52 1HB LYS 52 -0.210 -27.352 -8.108 377 HB3 LYS 52 2HB LYS 52 -0.261 -29.021 -8.659 378 HG2 LYS 52 1HG LYS 52 1.524 -28.441 -10.312 379 HG3 LYS 52 2HG LYS 52 1.651 -26.866 -9.524 380 HD2 LYS 52 1HD LYS 52 2.541 -27.758 -7.592 381 HD3 LYS 52 2HD LYS 52 1.826 -29.347 -7.872 382 HE2 LYS 52 1HE LYS 52 3.966 -28.238 -9.662 383 HE3 LYS 52 2HE LYS 52 4.359 -29.098 -8.174 384 HZ1 LYS 52 1HZ LYS 52 4.364 -30.568 -10.098 385 HZ2 LYS 52 2HZ LYS 52 2.746 -30.193 -10.415 386 HZ3 LYS 52 3HZ LYS 52 3.160 -31.018 -8.998 387 H CYS 53 H CYS 53 -2.553 -26.193 -8.592 388 HA CYS 53 HA CYS 53 -4.778 -28.124 -8.689 389 HB2 CYS 53 1HB CYS 53 -5.436 -27.327 -6.466 390 HB3 CYS 53 2HB CYS 53 -3.792 -27.955 -6.448 391 H GLY 54 H GLY 54 -3.985 -24.669 -8.380 392 HA2 GLY 54 1HA GLY 54 -5.068 -23.143 -9.967 393 HA3 GLY 54 2HA GLY 54 -6.537 -24.084 -9.750 394 H LYS 55 H LYS 55 -4.379 -23.126 -7.148 395 HA LYS 55 HA LYS 55 -6.586 -21.833 -5.795 396 HB2 LYS 55 1HB LYS 55 -3.840 -22.713 -5.061 397 HB3 LYS 55 2HB LYS 55 -4.548 -21.406 -4.121 398 HG2 LYS 55 1HG LYS 55 -6.466 -22.825 -3.591 399 HG3 LYS 55 2HG LYS 55 -5.751 -24.137 -4.530 400 HD2 LYS 55 1HD LYS 55 -5.099 -24.684 -2.384 401 HD3 LYS 55 2HD LYS 55 -3.701 -23.772 -2.961 402 HE2 LYS 55 1HE LYS 55 -4.067 -22.834 -0.882 403 HE3 LYS 55 2HE LYS 55 -4.941 -21.730 -1.943 404 HZ1 LYS 55 1HZ LYS 55 -6.402 -22.155 -0.200 405 HZ2 LYS 55 2HZ LYS 55 -6.037 -23.806 -0.148 406 HZ3 LYS 55 3HZ LYS 55 -6.950 -23.182 -1.428 407 H THR 56 H THR 56 -5.676 -19.777 -4.440 408 HA THR 56 HA THR 56 -4.639 -17.899 -6.463 409 HB THR 56 HB THR 56 -5.948 -16.160 -5.042 410 HG1 THR 56 1HG THR 56 -6.496 -18.090 -3.551 411 HG21 THR 56 1HG2 THR 56 -6.696 -17.846 -7.260 412 HG22 THR 56 2HG2 THR 56 -7.046 -16.140 -6.984 413 HG23 THR 56 3HG2 THR 56 -8.116 -17.377 -6.327 414 H PHE 57 H PHE 57 -3.121 -16.404 -5.836 415 HA PHE 57 HA PHE 57 -2.306 -16.314 -3.033 416 HB2 PHE 57 1HB PHE 57 -0.447 -17.034 -5.307 417 HB3 PHE 57 2HB PHE 57 0.087 -16.609 -3.684 418 HD1 PHE 57 1HD PHE 57 -1.656 -19.124 -5.712 419 HD2 PHE 57 2HD PHE 57 -0.093 -18.155 -1.874 420 HE1 PHE 57 1HE PHE 57 -1.895 -21.475 -5.025 421 HE2 PHE 57 2HE PHE 57 -0.328 -20.504 -1.181 422 HZ PHE 57 HZ PHE 57 -1.230 -22.167 -2.758 423 H THR 58 H THR 58 -1.724 -14.326 -2.399 424 HA THR 58 HA THR 58 -1.770 -12.196 -4.376 425 HB THR 58 HB THR 58 -3.041 -11.973 -2.249 426 HG1 THR 58 1HG THR 58 -2.493 -9.826 -2.017 427 HG21 THR 58 1HG2 THR 58 -0.463 -11.426 -0.835 428 HG22 THR 58 2HG2 THR 58 -1.065 -13.080 -0.945 429 HG23 THR 58 3HG2 THR 58 -2.042 -11.835 -0.168 430 H ARG 59 H ARG 59 0.504 -13.982 -4.374 431 HA ARG 59 HA ARG 59 2.585 -12.017 -4.400 432 HB2 ARG 59 1HB ARG 59 2.396 -13.974 -2.168 433 HB3 ARG 59 2HB ARG 59 3.989 -13.682 -2.852 434 HG2 ARG 59 1HG ARG 59 3.385 -11.178 -2.520 435 HG3 ARG 59 2HG ARG 59 2.186 -11.809 -1.389 436 HD2 ARG 59 1HD ARG 59 4.189 -11.278 -0.175 437 HD3 ARG 59 2HD ARG 59 4.002 -13.031 -0.224 438 HE ARG 59 HE ARG 59 5.600 -12.554 -2.337 439 HH11 ARG 59 2HH1 ARG 59 5.734 -11.550 0.994 440 HH12 ARG 59 1HH1 ARG 59 7.464 -11.470 1.036 441 HH21 ARG 59 2HH2 ARG 59 7.879 -12.454 -2.293 442 HH22 ARG 59 1HH2 ARG 59 8.683 -11.984 -0.834 443 H ARG 60 H ARG 60 4.508 -12.766 -5.421 444 HA ARG 60 HA ARG 60 4.011 -14.952 -7.250 445 HB2 ARG 60 1HB ARG 60 5.098 -12.683 -7.813 446 HB3 ARG 60 2HB ARG 60 6.553 -13.353 -7.087 447 HG2 ARG 60 1HG ARG 60 5.130 -14.866 -9.231 448 HG3 ARG 60 2HG ARG 60 6.190 -13.518 -9.648 449 HD2 ARG 60 1HD ARG 60 7.067 -15.781 -7.874 450 HD3 ARG 60 2HD ARG 60 7.232 -15.835 -9.628 451 HE ARG 60 HE ARG 60 8.824 -14.313 -7.784 452 HH11 ARG 60 2HH1 ARG 60 7.689 -14.550 -11.066 453 HH12 ARG 60 1HH1 ARG 60 9.008 -13.642 -11.726 454 HH21 ARG 60 2HH2 ARG 60 10.567 -13.116 -8.641 455 HH22 ARG 60 1HH2 ARG 60 10.646 -12.828 -10.346 456 H ASN 61 H ASN 61 6.351 -14.160 -4.706 457 HA ASN 61 HA ASN 61 7.889 -16.516 -4.963 458 HB2 ASN 61 1HB ASN 61 7.520 -14.786 -2.507 459 HB3 ASN 61 2HB ASN 61 8.838 -15.917 -2.799 460 HD21 ASN 61 1HD2 ASN 61 10.490 -15.355 -4.164 461 HD22 ASN 61 2HD2 ASN 61 10.697 -13.755 -4.782 462 H THR 62 H THR 62 5.495 -15.626 -2.470 463 HA THR 62 HA THR 62 5.357 -17.959 -1.065 464 HB THR 62 HB THR 62 2.927 -16.331 -1.826 465 HG1 THR 62 1HG THR 62 3.583 -15.379 0.365 466 HG21 THR 62 1HG2 THR 62 2.123 -17.049 0.409 467 HG22 THR 62 2HG2 THR 62 3.543 -18.084 0.554 468 HG23 THR 62 3HG2 THR 62 2.350 -18.395 -0.706 469 H MET 63 H MET 63 3.444 -17.184 -3.970 470 HA MET 63 HA MET 63 2.038 -19.570 -4.166 471 HB2 MET 63 1HB MET 63 1.745 -17.439 -5.533 472 HB3 MET 63 2HB MET 63 3.054 -18.028 -6.549 473 HG2 MET 63 1HG MET 63 0.706 -19.784 -6.025 474 HG3 MET 63 2HG MET 63 0.570 -18.471 -7.191 475 HE1 MET 63 1HE MET 63 2.818 -19.345 -10.043 476 HE2 MET 63 2HE MET 63 1.075 -19.150 -9.860 477 HE3 MET 63 3HE MET 63 2.177 -18.055 -9.025 478 H ALA 64 H ALA 64 5.112 -18.704 -5.750 479 HA ALA 64 HA ALA 64 5.607 -21.070 -7.080 480 HB1 ALA 64 1HB ALA 64 7.265 -19.706 -7.687 481 HB2 ALA 64 2HB ALA 64 7.190 -18.800 -6.175 482 HB3 ALA 64 3HB ALA 64 8.115 -20.299 -6.260 483 H ARG 65 H ARG 65 6.426 -20.228 -3.729 484 HA ARG 65 HA ARG 65 7.783 -22.612 -3.107 485 HB2 ARG 65 1HB ARG 65 6.323 -20.615 -1.382 486 HB3 ARG 65 2HB ARG 65 7.197 -21.987 -0.716 487 HG2 ARG 65 1HG ARG 65 9.190 -21.063 -2.094 488 HG3 ARG 65 2HG ARG 65 8.254 -19.567 -2.106 489 HD2 ARG 65 1HD ARG 65 9.582 -19.317 -0.225 490 HD3 ARG 65 2HD ARG 65 8.077 -19.943 0.448 491 HE ARG 65 HE ARG 65 10.033 -21.962 -0.196 492 HH11 ARG 65 2HH1 ARG 65 8.826 -19.773 2.227 493 HH12 ARG 65 1HH1 ARG 65 9.471 -20.680 3.555 494 HH21 ARG 65 2HH2 ARG 65 10.886 -23.166 1.544 495 HH22 ARG 65 1HH2 ARG 65 10.643 -22.610 3.165 496 H HIS 66 H HIS 66 4.381 -21.686 -2.784 497 HA HIS 66 HA HIS 66 3.487 -23.975 -1.437 498 HB2 HIS 66 1HB HIS 66 1.916 -22.277 -1.447 499 HB3 HIS 66 2HB HIS 66 2.181 -21.898 -3.147 500 HD1 HIS 66 1HD HIS 66 0.443 -24.434 -0.954 501 HD2 HIS 66 2HD HIS 66 0.465 -23.133 -4.899 502 HE1 HIS 66 1HE HIS 66 -1.512 -25.575 -2.048 503 H ALA 67 H ALA 67 3.833 -23.294 -4.889 504 HA ALA 67 HA ALA 67 2.569 -25.502 -5.967 505 HB1 ALA 67 1HB ALA 67 4.940 -25.018 -7.469 506 HB2 ALA 67 2HB ALA 67 3.280 -24.551 -7.839 507 HB3 ALA 67 3HB ALA 67 4.308 -23.476 -6.893 508 H ASP 68 H ASP 68 5.821 -25.244 -4.624 509 HA ASP 68 HA ASP 68 6.826 -27.720 -5.424 510 HB2 ASP 68 1HB ASP 68 7.407 -26.211 -2.866 511 HB3 ASP 68 2HB ASP 68 8.398 -27.500 -3.544 512 H ASN 69 H ASN 69 5.212 -26.858 -2.366 513 HA ASN 69 HA ASN 69 5.042 -29.633 -1.580 514 HB2 ASN 69 1HB ASN 69 3.604 -27.380 -0.205 515 HB3 ASN 69 2HB ASN 69 4.253 -28.863 0.489 516 HD21 ASN 69 1HD2 ASN 69 6.327 -28.922 1.175 517 HD22 ASN 69 2HD2 ASN 69 7.393 -27.563 1.146 518 H CYS 70 H CYS 70 3.400 -27.903 -3.776 519 HA CYS 70 HA CYS 70 0.699 -28.634 -3.101 520 HB2 CYS 70 1HB CYS 70 1.275 -26.597 -4.427 521 HB3 CYS 70 2HB CYS 70 1.789 -27.646 -5.744 522 H ALA 71 H ALA 71 -0.349 -30.448 -3.614 523 HA ALA 71 HA ALA 71 0.970 -32.325 -5.466 524 HB1 ALA 71 1HB ALA 71 -0.218 -34.115 -4.197 525 HB2 ALA 71 2HB ALA 71 0.985 -33.234 -3.255 526 HB3 ALA 71 3HB ALA 71 -0.730 -32.884 -3.042 527 H GLY 72 H GLY 72 -0.925 -30.203 -6.170 528 HA2 GLY 72 1HA GLY 72 -2.513 -30.138 -7.881 529 HA3 GLY 72 2HA GLY 72 -2.776 -31.862 -7.671 530 HA PRO 73 HA PRO 73 -6.394 -29.495 -5.914 531 HB2 PRO 73 1HB PRO 73 -8.290 -30.836 -7.320 532 HB3 PRO 73 2HB PRO 73 -7.476 -29.394 -7.938 533 HG2 PRO 73 1HG PRO 73 -6.926 -32.278 -8.524 534 HG3 PRO 73 2HG PRO 73 -6.981 -30.901 -9.639 535 HD2 PRO 73 1HD PRO 73 -4.656 -31.933 -8.712 536 HD3 PRO 73 2HD PRO 73 -4.852 -30.209 -9.090 537 H ASP 74 H ASP 74 -8.082 -30.328 -4.554 538 HA ASP 74 HA ASP 74 -8.182 -33.170 -4.026 539 HB2 ASP 74 1HB ASP 74 -6.292 -32.675 -2.657 540 HB3 ASP 74 2HB ASP 74 -7.049 -31.215 -2.024 541 H GLY 75 H GLY 75 -9.961 -33.787 -2.722 542 HA2 GLY 75 1HA GLY 75 -12.280 -32.265 -3.066 543 HA3 GLY 75 2HA GLY 75 -12.121 -33.625 -1.964 544 H VAL 76 H VAL 76 -12.286 -30.211 -2.271 545 HA VAL 76 HA VAL 76 -12.239 -29.974 0.659 546 HB VAL 76 HB VAL 76 -10.968 -28.021 -1.266 547 HG11 VAL 76 1HG1 VAL 76 -10.350 -26.733 0.690 548 HG12 VAL 76 2HG1 VAL 76 -12.103 -26.923 0.626 549 HG13 VAL 76 3HG1 VAL 76 -11.149 -27.900 1.743 550 HG21 VAL 76 1HG2 VAL 76 -9.156 -29.291 -1.029 551 HG22 VAL 76 2HG2 VAL 76 -9.127 -28.817 0.669 552 HG23 VAL 76 3HG2 VAL 76 -9.946 -30.301 0.182 553 H GLU 77 H GLU 77 -13.634 -28.438 1.540 554 HA GLU 77 HA GLU 77 -15.470 -27.119 -0.342 555 HB2 GLU 77 1HB GLU 77 -17.357 -27.667 1.128 556 HB3 GLU 77 2HB GLU 77 -16.577 -29.119 0.513 557 HG2 GLU 77 1HG GLU 77 -16.820 -29.716 2.686 558 HG3 GLU 77 2HG GLU 77 -15.239 -28.941 2.777 559 H GLY 78 H GLY 78 -16.617 -25.274 0.558 560 HA2 GLY 78 1HA GLY 78 -16.755 -23.334 1.785 561 HA3 GLY 78 2HA GLY 78 -15.958 -24.188 3.098 562 H GLU 79 H GLU 79 -14.714 -23.603 -0.161 563 HA GLU 79 HA GLU 79 -12.185 -22.780 0.765 564 HB2 GLU 79 1HB GLU 79 -13.476 -22.294 -1.926 565 HB3 GLU 79 2HB GLU 79 -11.764 -22.113 -1.569 566 HG2 GLU 79 1HG GLU 79 -11.420 -24.386 -1.396 567 HG3 GLU 79 2HG GLU 79 -13.118 -24.723 -1.064 568 H ASN 80 H ASN 80 -14.981 -20.941 -0.404 569 HA ASN 80 HA ASN 80 -14.373 -18.701 1.225 570 HB2 ASN 80 1HB ASN 80 -12.716 -18.609 -0.808 571 HB3 ASN 80 2HB ASN 80 -14.128 -18.027 -1.685 572 HD21 ASN 80 1HD2 ASN 80 -13.236 -16.003 -2.007 573 HD22 ASN 80 2HD2 ASN 80 -13.070 -14.851 -0.730 574 H SER 81 H SER 81 -16.252 -17.769 1.684 575 HA SER 81 HA SER 81 -18.431 -17.968 -0.292 576 HB2 SER 81 1HB SER 81 -18.727 -19.419 1.738 577 HB3 SER 81 2HB SER 81 -18.760 -17.952 2.716 578 HG SER 81 HG SER 81 -20.774 -17.754 2.195 579 H GLY 82 H GLY 82 -19.399 -16.124 -0.878 580 HA2 GLY 82 1HA GLY 82 -19.581 -13.845 0.849 581 HA3 GLY 82 2HA GLY 82 -18.371 -13.625 -0.406 582 HA PRO 83 HA PRO 83 -22.895 -12.902 -1.869 583 HB2 PRO 83 1HB PRO 83 -23.160 -10.242 -1.393 584 HB3 PRO 83 2HB PRO 83 -23.654 -11.480 -0.231 585 HG2 PRO 83 1HG PRO 83 -21.147 -9.845 -0.306 586 HG3 PRO 83 2HG PRO 83 -22.170 -10.261 1.081 587 HD2 PRO 83 1HD PRO 83 -19.858 -11.560 0.535 588 HD3 PRO 83 2HD PRO 83 -21.249 -12.364 1.289 589 H SER 84 H SER 84 -23.523 -11.300 -3.615 590 HA SER 84 HA SER 84 -21.174 -10.284 -5.061 591 HB2 SER 84 1HB SER 84 -23.225 -12.240 -6.004 592 HB3 SER 84 2HB SER 84 -22.585 -11.076 -7.163 593 HG SER 84 HG SER 84 -21.006 -12.800 -5.552 594 H SER 85 H SER 85 -21.469 -8.154 -5.101 595 HA SER 85 HA SER 85 -23.884 -7.090 -6.308 596 HB2 SER 85 1HB SER 85 -23.026 -6.372 -3.498 597 HB3 SER 85 2HB SER 85 -24.149 -5.401 -4.450 598 HG SER 85 HG SER 85 -25.666 -6.843 -4.145 599 H GLY 86 H GLY 86 -23.657 -4.563 -6.373 600 HA2 GLY 86 1HA GLY 86 -20.848 -3.974 -7.079 601 HA3 GLY 86 2HA GLY 86 -22.221 -3.374 -7.997 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -13.168 -19.595 -20.189 2 HA2 GLY 1 1HA GLY 1 -15.154 -20.691 -19.697 3 HA3 GLY 1 2HA GLY 1 -14.224 -21.957 -18.909 4 H SER 2 H SER 2 -15.789 -21.959 -17.215 5 HA SER 2 HA SER 2 -15.152 -20.033 -15.140 6 HB2 SER 2 1HB SER 2 -17.584 -19.604 -14.674 7 HB3 SER 2 2HB SER 2 -17.003 -18.897 -16.182 8 HG SER 2 HG SER 2 -18.162 -21.460 -16.173 9 H SER 3 H SER 3 -15.556 -20.783 -13.059 10 HA SER 3 HA SER 3 -16.947 -23.274 -12.633 11 HB2 SER 3 1HB SER 3 -14.802 -24.148 -13.368 12 HB3 SER 3 2HB SER 3 -13.951 -23.106 -12.228 13 HG SER 3 HG SER 3 -14.186 -24.661 -10.850 14 H GLY 4 H GLY 4 -17.610 -23.528 -10.537 15 HA2 GLY 4 1HA GLY 4 -16.460 -22.424 -8.255 16 HA3 GLY 4 2HA GLY 4 -17.602 -21.237 -8.870 17 H SER 5 H SER 5 -17.554 -22.950 -6.403 18 HA SER 5 HA SER 5 -20.138 -24.311 -6.796 19 HB2 SER 5 1HB SER 5 -17.753 -24.967 -5.126 20 HB3 SER 5 2HB SER 5 -19.345 -25.408 -4.508 21 HG SER 5 HG SER 5 -17.914 -26.725 -6.254 22 H SER 6 H SER 6 -21.558 -24.328 -4.856 23 HA SER 6 HA SER 6 -22.362 -21.840 -4.085 24 HB2 SER 6 1HB SER 6 -23.675 -23.900 -3.709 25 HB3 SER 6 2HB SER 6 -22.582 -24.348 -2.400 26 HG SER 6 HG SER 6 -23.342 -22.704 -1.185 27 H GLY 7 H GLY 7 -21.409 -20.266 -2.988 28 HA2 GLY 7 1HA GLY 7 -20.022 -20.842 -0.505 29 HA3 GLY 7 2HA GLY 7 -19.009 -20.192 -1.787 30 H ARG 8 H ARG 8 -21.295 -19.489 0.659 31 HA ARG 8 HA ARG 8 -21.368 -16.668 -0.188 32 HB2 ARG 8 1HB ARG 8 -23.588 -17.700 -0.116 33 HB3 ARG 8 2HB ARG 8 -23.321 -18.181 1.554 34 HG2 ARG 8 1HG ARG 8 -23.441 -15.975 2.329 35 HG3 ARG 8 2HG ARG 8 -23.235 -15.307 0.709 36 HD2 ARG 8 1HD ARG 8 -25.515 -15.036 1.179 37 HD3 ARG 8 2HD ARG 8 -25.437 -16.457 0.137 38 HE ARG 8 HE ARG 8 -25.327 -17.330 2.782 39 HH11 ARG 8 2HH1 ARG 8 -27.556 -15.744 0.630 40 HH12 ARG 8 1HH1 ARG 8 -28.966 -16.369 1.420 41 HH21 ARG 8 2HH2 ARG 8 -27.175 -18.159 3.831 42 HH22 ARG 8 1HH2 ARG 8 -28.748 -17.741 3.241 43 H THR 9 H THR 9 -20.373 -15.225 1.058 44 HA THR 9 HA THR 9 -19.359 -16.108 3.666 45 HB THR 9 HB THR 9 -18.518 -13.733 1.993 46 HG1 THR 9 1HG THR 9 -16.539 -15.369 2.153 47 HG21 THR 9 1HG2 THR 9 -16.482 -14.006 3.625 48 HG22 THR 9 2HG2 THR 9 -17.683 -14.767 4.668 49 HG23 THR 9 3HG2 THR 9 -17.911 -13.104 4.127 50 H HIS 10 H HIS 10 -19.639 -14.882 5.530 51 HA HIS 10 HA HIS 10 -22.054 -13.765 6.072 52 HB2 HIS 10 1HB HIS 10 -19.423 -12.911 7.299 53 HB3 HIS 10 2HB HIS 10 -21.016 -12.664 8.008 54 HD1 HIS 10 1HD HIS 10 -21.862 -14.479 9.488 55 HD2 HIS 10 2HD HIS 10 -18.721 -15.749 7.083 56 HE1 HIS 10 1HE HIS 10 -21.311 -16.803 10.274 57 H THR 11 H THR 11 -23.081 -12.177 5.059 58 HA THR 11 HA THR 11 -21.894 -10.192 3.489 59 HB THR 11 HB THR 11 -24.297 -10.908 3.367 60 HG1 THR 11 1HG THR 11 -23.363 -8.843 2.512 61 HG21 THR 11 1HG2 THR 11 -25.871 -9.611 4.845 62 HG22 THR 11 2HG2 THR 11 -24.476 -9.190 5.838 63 HG23 THR 11 3HG2 THR 11 -24.954 -10.878 5.659 64 H GLY 12 H GLY 12 -21.978 -7.837 3.832 65 HA2 GLY 12 1HA GLY 12 -22.069 -6.866 6.552 66 HA3 GLY 12 2HA GLY 12 -20.452 -6.909 5.865 67 H GLU 13 H GLU 13 -20.639 -4.551 6.320 68 HA GLU 13 HA GLU 13 -21.836 -3.194 3.999 69 HB2 GLU 13 1HB GLU 13 -22.355 -1.267 5.433 70 HB3 GLU 13 2HB GLU 13 -23.205 -2.715 5.956 71 HG2 GLU 13 1HG GLU 13 -20.688 -1.632 7.201 72 HG3 GLU 13 2HG GLU 13 -22.320 -1.412 7.832 73 H LYS 14 H LYS 14 -20.713 -1.393 3.198 74 HA LYS 14 HA LYS 14 -17.913 -1.227 4.097 75 HB2 LYS 14 1HB LYS 14 -19.119 -0.767 1.365 76 HB3 LYS 14 2HB LYS 14 -17.445 -0.408 1.771 77 HG2 LYS 14 1HG LYS 14 -16.868 -2.633 1.945 78 HG3 LYS 14 2HG LYS 14 -18.529 -3.148 2.247 79 HD2 LYS 14 1HD LYS 14 -19.085 -2.542 -0.096 80 HD3 LYS 14 2HD LYS 14 -17.379 -2.180 -0.370 81 HE2 LYS 14 1HE LYS 14 -16.990 -4.589 0.506 82 HE3 LYS 14 2HE LYS 14 -18.700 -4.818 0.143 83 HZ1 LYS 14 1HZ LYS 14 -17.030 -3.624 -1.935 84 HZ2 LYS 14 2HZ LYS 14 -18.344 -4.680 -2.078 85 HZ3 LYS 14 3HZ LYS 14 -16.825 -5.276 -1.632 86 HA PRO 15 HA PRO 15 -19.395 2.877 5.293 87 HB2 PRO 15 1HB PRO 15 -17.293 3.389 6.933 88 HB3 PRO 15 2HB PRO 15 -18.680 2.409 7.425 89 HG2 PRO 15 1HG PRO 15 -15.983 1.529 6.469 90 HG3 PRO 15 2HG PRO 15 -16.958 0.895 7.808 91 HD2 PRO 15 1HD PRO 15 -16.834 -0.322 5.392 92 HD3 PRO 15 2HD PRO 15 -18.289 -0.364 6.409 93 H TYR 16 H TYR 16 -16.194 1.930 4.156 94 HA TYR 16 HA TYR 16 -15.429 4.625 3.484 95 HB2 TYR 16 1HB TYR 16 -14.121 2.020 2.678 96 HB3 TYR 16 2HB TYR 16 -13.402 3.624 2.592 97 HD1 TYR 16 2HD TYR 16 -14.664 1.056 4.950 98 HD2 TYR 16 1HD TYR 16 -12.295 4.555 4.453 99 HE1 TYR 16 2HE TYR 16 -13.782 0.775 7.229 100 HE2 TYR 16 1HE TYR 16 -11.405 4.283 6.730 101 HH TYR 16 HH TYR 16 -12.057 3.204 8.844 102 H ALA 17 H ALA 17 -16.607 5.553 1.913 103 HA ALA 17 HA ALA 17 -16.994 4.047 -0.590 104 HB1 ALA 17 1HB ALA 17 -18.851 5.688 -1.021 105 HB2 ALA 17 2HB ALA 17 -19.120 4.576 0.322 106 HB3 ALA 17 3HB ALA 17 -18.643 6.244 0.640 107 H CYS 18 H CYS 18 -15.899 4.716 -2.310 108 HA CYS 18 HA CYS 18 -14.085 6.851 -2.248 109 HB2 CYS 18 1HB CYS 18 -14.057 4.814 -3.777 110 HB3 CYS 18 2HB CYS 18 -15.244 5.658 -4.766 111 H SER 19 H SER 19 -14.074 8.850 -3.353 112 HA SER 19 HA SER 19 -16.723 10.066 -3.528 113 HB2 SER 19 1HB SER 19 -13.933 11.191 -3.327 114 HB3 SER 19 2HB SER 19 -15.317 12.209 -3.726 115 HG SER 19 HG SER 19 -14.744 12.042 -1.432 116 H HIS 20 H HIS 20 -13.862 9.462 -5.490 117 HA HIS 20 HA HIS 20 -14.613 10.952 -7.751 118 HB2 HIS 20 1HB HIS 20 -12.743 8.669 -7.262 119 HB3 HIS 20 2HB HIS 20 -13.111 9.130 -8.922 120 HD1 HIS 20 1HD HIS 20 -12.325 11.239 -5.846 121 HD2 HIS 20 2HD HIS 20 -11.045 10.652 -9.754 122 HE1 HIS 20 1HE HIS 20 -10.500 12.929 -6.217 123 H CYS 21 H CYS 21 -15.148 7.543 -6.918 124 HA CYS 21 HA CYS 21 -17.198 7.444 -9.034 125 HB2 CYS 21 1HB CYS 21 -16.696 5.083 -9.350 126 HB3 CYS 21 2HB CYS 21 -15.235 6.040 -9.573 127 H ASP 22 H ASP 22 -18.563 5.261 -8.519 128 HA ASP 22 HA ASP 22 -19.664 5.744 -5.843 129 HB2 ASP 22 1HB ASP 22 -21.153 5.961 -7.853 130 HB3 ASP 22 2HB ASP 22 -20.933 4.236 -8.135 131 H LYS 23 H LYS 23 -17.417 4.353 -5.610 132 HA LYS 23 HA LYS 23 -18.240 1.536 -5.357 133 HB2 LYS 23 1HB LYS 23 -15.537 2.804 -5.752 134 HB3 LYS 23 2HB LYS 23 -15.710 1.151 -5.177 135 HG2 LYS 23 1HG LYS 23 -17.156 1.925 -7.651 136 HG3 LYS 23 2HG LYS 23 -15.406 1.712 -7.735 137 HD2 LYS 23 1HD LYS 23 -15.728 -0.534 -6.658 138 HD3 LYS 23 2HD LYS 23 -17.466 -0.309 -6.863 139 HE2 LYS 23 1HE LYS 23 -17.251 -0.239 -9.237 140 HE3 LYS 23 2HE LYS 23 -15.492 -0.170 -9.134 141 HZ1 LYS 23 1HZ LYS 23 -16.308 -2.450 -7.770 142 HZ2 LYS 23 2HZ LYS 23 -15.466 -2.366 -9.234 143 HZ3 LYS 23 3HZ LYS 23 -17.156 -2.437 -9.234 144 H THR 24 H THR 24 -17.758 0.411 -3.442 145 HA THR 24 HA THR 24 -17.010 2.089 -1.141 146 HB THR 24 HB THR 24 -18.642 0.832 0.244 147 HG1 THR 24 1HG THR 24 -20.038 -0.578 -0.688 148 HG21 THR 24 1HG2 THR 24 -20.176 2.042 -2.025 149 HG22 THR 24 2HG2 THR 24 -19.108 3.047 -1.045 150 HG23 THR 24 3HG2 THR 24 -20.448 2.185 -0.289 151 H PHE 25 H PHE 25 -16.114 0.931 0.671 152 HA PHE 25 HA PHE 25 -15.277 -1.819 0.204 153 HB2 PHE 25 1HB PHE 25 -13.196 0.249 0.892 154 HB3 PHE 25 2HB PHE 25 -12.949 -1.417 0.382 155 HD1 PHE 25 1HD PHE 25 -14.171 1.881 -0.791 156 HD2 PHE 25 2HD PHE 25 -12.636 -1.940 -1.868 157 HE1 PHE 25 1HE PHE 25 -13.938 2.635 -3.121 158 HE2 PHE 25 2HE PHE 25 -12.399 -1.192 -4.199 159 HZ PHE 25 HZ PHE 25 -13.050 1.099 -4.829 160 H ARG 26 H ARG 26 -14.380 -2.840 2.110 161 HA ARG 26 HA ARG 26 -15.717 -1.970 4.496 162 HB2 ARG 26 1HB ARG 26 -13.769 -4.250 4.101 163 HB3 ARG 26 2HB ARG 26 -14.811 -4.011 5.497 164 HG2 ARG 26 1HG ARG 26 -16.778 -4.342 4.131 165 HG3 ARG 26 2HG ARG 26 -15.777 -4.480 2.684 166 HD2 ARG 26 1HD ARG 26 -14.617 -6.409 3.939 167 HD3 ARG 26 2HD ARG 26 -16.033 -6.378 4.990 168 HE ARG 26 HE ARG 26 -16.644 -6.528 2.178 169 HH11 ARG 26 2HH1 ARG 26 -15.946 -8.323 5.079 170 HH12 ARG 26 1HH1 ARG 26 -16.723 -9.770 4.527 171 HH21 ARG 26 2HH2 ARG 26 -17.670 -8.427 1.440 172 HH22 ARG 26 1HH2 ARG 26 -17.702 -9.828 2.456 173 H GLN 27 H GLN 27 -12.291 -2.634 3.744 174 HA GLN 27 HA GLN 27 -11.527 -0.926 6.001 175 HB2 GLN 27 1HB GLN 27 -9.993 -2.981 4.410 176 HB3 GLN 27 2HB GLN 27 -9.237 -1.925 5.595 177 HG2 GLN 27 1HG GLN 27 -10.577 -2.861 7.358 178 HG3 GLN 27 2HG GLN 27 -11.484 -3.831 6.200 179 HE21 GLN 27 1HE2 GLN 27 -10.473 -5.602 5.212 180 HE22 GLN 27 2HE2 GLN 27 -9.060 -6.330 5.889 181 H LYS 28 H LYS 28 -10.438 0.945 5.745 182 HA LYS 28 HA LYS 28 -10.585 2.486 3.519 183 HB2 LYS 28 1HB LYS 28 -9.897 3.458 5.594 184 HB3 LYS 28 2HB LYS 28 -8.447 2.464 5.649 185 HG2 LYS 28 1HG LYS 28 -7.803 3.670 3.466 186 HG3 LYS 28 2HG LYS 28 -9.036 4.843 3.934 187 HD2 LYS 28 1HD LYS 28 -7.846 4.982 6.172 188 HD3 LYS 28 2HD LYS 28 -6.528 4.084 5.416 189 HE2 LYS 28 1HE LYS 28 -5.993 6.401 5.269 190 HE3 LYS 28 2HE LYS 28 -6.446 5.859 3.653 191 HZ1 LYS 28 1HZ LYS 28 -7.668 7.750 3.785 192 HZ2 LYS 28 2HZ LYS 28 -7.845 7.677 5.465 193 HZ3 LYS 28 3HZ LYS 28 -8.791 6.688 4.472 194 H GLN 29 H GLN 29 -7.817 0.427 4.389 195 HA GLN 29 HA GLN 29 -6.014 0.934 2.462 196 HB2 GLN 29 1HB GLN 29 -5.631 -0.810 4.078 197 HB3 GLN 29 2HB GLN 29 -6.930 -1.785 3.404 198 HG2 GLN 29 1HG GLN 29 -5.682 -2.141 1.381 199 HG3 GLN 29 2HG GLN 29 -4.415 -1.045 1.929 200 HE21 GLN 29 1HE2 GLN 29 -5.634 -4.224 1.991 201 HE22 GLN 29 2HE2 GLN 29 -4.440 -4.912 3.034 202 H LEU 30 H LEU 30 -8.876 -1.125 2.007 203 HA LEU 30 HA LEU 30 -8.432 -1.838 -0.647 204 HB2 LEU 30 1HB LEU 30 -10.843 -1.600 1.082 205 HB3 LEU 30 2HB LEU 30 -11.071 -1.834 -0.650 206 HG LEU 30 HG LEU 30 -11.213 -3.972 0.349 207 HD11 LEU 30 1HD1 LEU 30 -9.337 -3.375 -1.570 208 HD12 LEU 30 2HD1 LEU 30 -9.903 -4.989 -1.139 209 HD13 LEU 30 3HD1 LEU 30 -8.431 -4.348 -0.411 210 HD21 LEU 30 1HD2 LEU 30 -8.660 -3.270 1.791 211 HD22 LEU 30 2HD2 LEU 30 -9.395 -4.874 1.779 212 HD23 LEU 30 3HD2 LEU 30 -10.255 -3.515 2.505 213 H LEU 31 H LEU 31 -10.351 0.877 0.632 214 HA LEU 31 HA LEU 31 -10.960 1.969 -1.910 215 HB2 LEU 31 1HB LEU 31 -12.390 2.603 -0.182 216 HB3 LEU 31 2HB LEU 31 -11.056 3.008 0.897 217 HG LEU 31 HG LEU 31 -10.581 4.997 -0.490 218 HD11 LEU 31 1HD1 LEU 31 -12.947 3.978 -2.028 219 HD12 LEU 31 2HD1 LEU 31 -11.358 4.452 -2.628 220 HD13 LEU 31 3HD1 LEU 31 -12.484 5.680 -2.048 221 HD21 LEU 31 1HD2 LEU 31 -12.308 4.808 1.484 222 HD22 LEU 31 2HD2 LEU 31 -13.471 5.176 0.209 223 HD23 LEU 31 3HD2 LEU 31 -12.152 6.297 0.552 224 H ASP 32 H ASP 32 -8.186 2.134 0.121 225 HA ASP 32 HA ASP 32 -7.124 4.565 -0.980 226 HB2 ASP 32 1HB ASP 32 -6.599 3.526 1.316 227 HB3 ASP 32 2HB ASP 32 -5.515 2.451 0.437 228 H MET 33 H MET 33 -6.530 1.101 -1.450 229 HA MET 33 HA MET 33 -4.517 1.538 -3.449 230 HB2 MET 33 1HB MET 33 -4.589 -0.895 -3.748 231 HB3 MET 33 2HB MET 33 -4.467 -0.464 -2.048 232 HG2 MET 33 1HG MET 33 -7.031 -0.700 -2.032 233 HG3 MET 33 2HG MET 33 -6.802 -1.573 -3.546 234 HE1 MET 33 1HE MET 33 -5.752 -4.801 -2.943 235 HE2 MET 33 2HE MET 33 -7.412 -4.507 -2.426 236 HE3 MET 33 3HE MET 33 -6.736 -3.599 -3.779 237 H HIS 34 H HIS 34 -7.966 1.003 -3.407 238 HA HIS 34 HA HIS 34 -8.369 0.235 -6.065 239 HB2 HIS 34 1HB HIS 34 -10.306 0.003 -4.867 240 HB3 HIS 34 2HB HIS 34 -10.039 1.477 -3.943 241 HD1 HIS 34 1HD HIS 34 -11.656 0.185 -7.024 242 HD2 HIS 34 2HD HIS 34 -10.968 3.847 -5.186 243 HE1 HIS 34 1HE HIS 34 -13.152 1.823 -8.208 244 H PHE 35 H PHE 35 -8.280 3.471 -4.607 245 HA PHE 35 HA PHE 35 -8.855 4.919 -6.940 246 HB2 PHE 35 1HB PHE 35 -8.909 5.850 -4.629 247 HB3 PHE 35 2HB PHE 35 -7.149 5.814 -4.609 248 HD1 PHE 35 2HD PHE 35 -6.043 7.025 -6.711 249 HD2 PHE 35 1HD PHE 35 -9.924 7.831 -5.160 250 HE1 PHE 35 2HE PHE 35 -5.986 9.259 -7.739 251 HE2 PHE 35 1HE PHE 35 -9.874 10.067 -6.186 252 HZ PHE 35 HZ PHE 35 -7.902 10.784 -7.477 253 H LYS 36 H LYS 36 -5.697 4.278 -5.413 254 HA LYS 36 HA LYS 36 -4.168 5.385 -7.514 255 HB2 LYS 36 1HB LYS 36 -3.594 3.619 -5.174 256 HB3 LYS 36 2HB LYS 36 -2.370 3.779 -6.427 257 HG2 LYS 36 1HG LYS 36 -2.575 6.282 -6.120 258 HG3 LYS 36 2HG LYS 36 -3.519 5.927 -4.671 259 HD2 LYS 36 1HD LYS 36 -1.447 6.073 -3.730 260 HD3 LYS 36 2HD LYS 36 -1.439 4.361 -4.158 261 HE2 LYS 36 1HE LYS 36 -0.105 4.737 -6.059 262 HE3 LYS 36 2HE LYS 36 -0.401 6.475 -6.023 263 HZ1 LYS 36 1HZ LYS 36 1.722 6.269 -5.166 264 HZ2 LYS 36 2HZ LYS 36 1.362 4.866 -4.292 265 HZ3 LYS 36 3HZ LYS 36 0.779 6.364 -3.764 266 H ARG 37 H ARG 37 -6.047 2.652 -7.486 267 HA ARG 37 HA ARG 37 -4.336 1.149 -9.322 268 HB2 ARG 37 1HB ARG 37 -5.446 -0.056 -7.462 269 HB3 ARG 37 2HB ARG 37 -7.009 0.395 -8.129 270 HG2 ARG 37 1HG ARG 37 -6.235 -0.799 -10.257 271 HG3 ARG 37 2HG ARG 37 -4.973 -1.498 -9.241 272 HD2 ARG 37 1HD ARG 37 -7.881 -1.633 -8.501 273 HD3 ARG 37 2HD ARG 37 -7.122 -2.842 -9.536 274 HE ARG 37 HE ARG 37 -5.694 -2.427 -7.092 275 HH11 ARG 37 2HH1 ARG 37 -8.390 -4.081 -8.546 276 HH12 ARG 37 1HH1 ARG 37 -8.396 -5.366 -7.384 277 HH21 ARG 37 2HH2 ARG 37 -5.692 -4.112 -5.555 278 HH22 ARG 37 1HH2 ARG 37 -6.862 -5.382 -5.683 279 H TYR 38 H TYR 38 -7.787 2.055 -9.192 280 HA TYR 38 HA TYR 38 -8.073 1.795 -12.033 281 HB2 TYR 38 1HB TYR 38 -9.884 2.714 -9.816 282 HB3 TYR 38 2HB TYR 38 -10.357 2.887 -11.502 283 HD1 TYR 38 1HD TYR 38 -8.886 0.232 -9.309 284 HD2 TYR 38 2HD TYR 38 -11.712 1.225 -12.331 285 HE1 TYR 38 1HE TYR 38 -9.687 -2.094 -9.316 286 HE2 TYR 38 2HE TYR 38 -12.521 -1.098 -12.345 287 HH TYR 38 HH TYR 38 -11.537 -3.402 -9.953 288 H HIS 39 H HIS 39 -8.655 4.599 -9.904 289 HA HIS 39 HA HIS 39 -8.692 6.524 -11.908 290 HB2 HIS 39 1HB HIS 39 -7.846 6.813 -9.019 291 HB3 HIS 39 2HB HIS 39 -8.211 8.157 -10.097 292 HD1 HIS 39 1HD HIS 39 -10.801 7.475 -11.334 293 HD2 HIS 39 2HD HIS 39 -9.962 6.523 -7.378 294 HE1 HIS 39 1HE HIS 39 -13.039 7.206 -10.218 295 H ASP 40 H ASP 40 -6.087 4.694 -10.799 296 HA ASP 40 HA ASP 40 -4.240 6.302 -12.376 297 HB2 ASP 40 1HB ASP 40 -3.824 5.651 -9.457 298 HB3 ASP 40 2HB ASP 40 -2.503 6.099 -10.534 299 HA PRO 41 HA PRO 41 -3.346 2.105 -13.590 300 HB2 PRO 41 1HB PRO 41 -1.553 2.762 -15.519 301 HB3 PRO 41 2HB PRO 41 -3.300 2.901 -15.745 302 HG2 PRO 41 1HG PRO 41 -1.304 5.023 -15.058 303 HG3 PRO 41 2HG PRO 41 -2.657 5.088 -16.203 304 HD2 PRO 41 1HD PRO 41 -2.795 6.165 -13.723 305 HD3 PRO 41 2HD PRO 41 -4.208 5.470 -14.542 306 H ASN 42 H ASN 42 -1.487 4.211 -11.844 307 HA ASN 42 HA ASN 42 1.104 3.108 -12.080 308 HB2 ASN 42 1HB ASN 42 -0.257 4.699 -9.909 309 HB3 ASN 42 2HB ASN 42 1.414 4.160 -9.767 310 HD21 ASN 42 1HD2 ASN 42 -0.802 6.188 -11.543 311 HD22 ASN 42 2HD2 ASN 42 0.396 7.208 -12.255 312 H PHE 43 H PHE 43 -1.292 2.696 -9.465 313 HA PHE 43 HA PHE 43 0.096 0.530 -8.271 314 HB2 PHE 43 1HB PHE 43 -1.546 2.049 -7.111 315 HB3 PHE 43 2HB PHE 43 -2.834 1.198 -7.956 316 HD1 PHE 43 1HD PHE 43 -2.657 -1.462 -7.718 317 HD2 PHE 43 2HD PHE 43 -1.082 1.383 -4.972 318 HE1 PHE 43 1HE PHE 43 -2.708 -3.158 -5.937 319 HE2 PHE 43 2HE PHE 43 -1.129 -0.309 -3.187 320 HZ PHE 43 HZ PHE 43 -1.942 -2.583 -3.668 321 H VAL 44 H VAL 44 0.164 -1.535 -8.844 322 HA VAL 44 HA VAL 44 -2.035 -2.632 -10.466 323 HB VAL 44 HB VAL 44 -0.153 -2.211 -11.959 324 HG11 VAL 44 1HG1 VAL 44 1.471 -4.118 -10.290 325 HG12 VAL 44 2HG1 VAL 44 2.008 -3.136 -11.655 326 HG13 VAL 44 3HG1 VAL 44 1.576 -2.365 -10.128 327 HG21 VAL 44 1HG2 VAL 44 -1.576 -4.499 -11.794 328 HG22 VAL 44 2HG2 VAL 44 -0.419 -4.151 -13.079 329 HG23 VAL 44 3HG2 VAL 44 0.066 -5.136 -11.699 330 HA PRO 45 HA PRO 45 -1.950 -5.557 -7.093 331 HB2 PRO 45 1HB PRO 45 -4.068 -7.016 -7.962 332 HB3 PRO 45 2HB PRO 45 -4.245 -5.458 -7.146 333 HG2 PRO 45 1HG PRO 45 -4.334 -6.086 -10.072 334 HG3 PRO 45 2HG PRO 45 -5.380 -5.011 -9.126 335 HD2 PRO 45 1HD PRO 45 -3.345 -4.089 -10.656 336 HD3 PRO 45 2HD PRO 45 -3.846 -3.291 -9.151 337 H ALA 46 H ALA 46 -0.806 -7.380 -6.884 338 HA ALA 46 HA ALA 46 0.259 -8.698 -9.194 339 HB1 ALA 46 1HB ALA 46 0.783 -8.653 -6.340 340 HB2 ALA 46 2HB ALA 46 0.901 -10.277 -7.019 341 HB3 ALA 46 3HB ALA 46 1.878 -8.969 -7.687 342 H ALA 47 H ALA 47 -1.017 -9.998 -10.354 343 HA ALA 47 HA ALA 47 -2.817 -11.841 -8.929 344 HB1 ALA 47 1HB ALA 47 -4.281 -11.785 -10.711 345 HB2 ALA 47 2HB ALA 47 -3.661 -10.133 -10.699 346 HB3 ALA 47 3HB ALA 47 -3.032 -11.302 -11.859 347 H PHE 48 H PHE 48 -1.827 -13.736 -8.627 348 HA PHE 48 HA PHE 48 -0.521 -14.986 -10.949 349 HB2 PHE 48 1HB PHE 48 0.402 -15.047 -8.071 350 HB3 PHE 48 2HB PHE 48 1.057 -16.078 -9.338 351 HD1 PHE 48 2HD PHE 48 0.625 -12.545 -8.317 352 HD2 PHE 48 1HD PHE 48 2.748 -15.312 -10.758 353 HE1 PHE 48 2HE PHE 48 2.230 -10.779 -8.917 354 HE2 PHE 48 1HE PHE 48 4.357 -13.550 -11.361 355 HZ PHE 48 HZ PHE 48 4.098 -11.280 -10.441 356 H VAL 49 H VAL 49 -0.947 -17.126 -11.295 357 HA VAL 49 HA VAL 49 -2.864 -18.391 -9.445 358 HB VAL 49 HB VAL 49 -2.755 -18.383 -12.441 359 HG11 VAL 49 1HG1 VAL 49 -2.759 -20.735 -11.829 360 HG12 VAL 49 2HG1 VAL 49 -4.119 -20.466 -10.737 361 HG13 VAL 49 3HG1 VAL 49 -4.330 -20.266 -12.477 362 HG21 VAL 49 1HG2 VAL 49 -4.905 -17.951 -10.376 363 HG22 VAL 49 2HG2 VAL 49 -4.216 -16.764 -11.484 364 HG23 VAL 49 3HG2 VAL 49 -5.226 -18.069 -12.107 365 H CYS 50 H CYS 50 -2.632 -20.573 -8.989 366 HA CYS 50 HA CYS 50 0.042 -21.586 -9.139 367 HB2 CYS 50 1HB CYS 50 -1.637 -21.921 -7.234 368 HB3 CYS 50 2HB CYS 50 -2.383 -23.145 -8.257 369 H SER 51 H SER 51 0.818 -23.343 -10.274 370 HA SER 51 HA SER 51 -0.766 -24.087 -12.625 371 HB2 SER 51 1HB SER 51 2.156 -23.942 -12.030 372 HB3 SER 51 2HB SER 51 1.610 -25.111 -13.233 373 HG SER 51 HG SER 51 1.871 -23.339 -14.422 374 H LYS 52 H LYS 52 -0.171 -25.247 -9.613 375 HA LYS 52 HA LYS 52 0.018 -28.057 -10.389 376 HB2 LYS 52 1HB LYS 52 0.253 -26.587 -7.780 377 HB3 LYS 52 2HB LYS 52 0.000 -28.327 -7.808 378 HG2 LYS 52 1HG LYS 52 2.045 -28.291 -9.442 379 HG3 LYS 52 2HG LYS 52 2.367 -26.738 -8.667 380 HD2 LYS 52 1HD LYS 52 2.084 -28.023 -6.455 381 HD3 LYS 52 2HD LYS 52 2.275 -29.476 -7.439 382 HE2 LYS 52 1HE LYS 52 4.427 -28.592 -8.265 383 HE3 LYS 52 2HE LYS 52 4.237 -27.195 -7.207 384 HZ1 LYS 52 1HZ LYS 52 4.858 -28.367 -5.424 385 HZ2 LYS 52 2HZ LYS 52 5.514 -29.460 -6.535 386 HZ3 LYS 52 3HZ LYS 52 3.982 -29.743 -5.875 387 H CYS 53 H CYS 53 -2.126 -25.887 -8.570 388 HA CYS 53 HA CYS 53 -4.255 -27.908 -8.821 389 HB2 CYS 53 1HB CYS 53 -5.311 -26.866 -6.873 390 HB3 CYS 53 2HB CYS 53 -3.670 -27.380 -6.493 391 H GLY 54 H GLY 54 -3.535 -24.445 -9.024 392 HA2 GLY 54 1HA GLY 54 -4.398 -23.182 -10.900 393 HA3 GLY 54 2HA GLY 54 -5.843 -24.180 -10.841 394 H LYS 55 H LYS 55 -4.316 -22.823 -7.995 395 HA LYS 55 HA LYS 55 -6.779 -21.383 -7.404 396 HB2 LYS 55 1HB LYS 55 -4.449 -22.351 -5.834 397 HB3 LYS 55 2HB LYS 55 -5.269 -20.913 -5.241 398 HG2 LYS 55 1HG LYS 55 -7.284 -22.056 -4.913 399 HG3 LYS 55 2HG LYS 55 -6.774 -23.417 -5.914 400 HD2 LYS 55 1HD LYS 55 -5.181 -24.113 -4.261 401 HD3 LYS 55 2HD LYS 55 -5.464 -22.656 -3.306 402 HE2 LYS 55 1HE LYS 55 -7.625 -24.659 -3.915 403 HE3 LYS 55 2HE LYS 55 -6.590 -24.774 -2.492 404 HZ1 LYS 55 1HZ LYS 55 -7.392 -22.681 -1.717 405 HZ2 LYS 55 2HZ LYS 55 -8.734 -23.642 -2.085 406 HZ3 LYS 55 3HZ LYS 55 -8.261 -22.409 -3.143 407 H THR 56 H THR 56 -6.625 -19.177 -6.477 408 HA THR 56 HA THR 56 -4.756 -17.573 -8.068 409 HB THR 56 HB THR 56 -6.328 -15.668 -7.258 410 HG1 THR 56 1HG THR 56 -7.525 -16.796 -5.735 411 HG21 THR 56 1HG2 THR 56 -6.186 -16.561 -9.572 412 HG22 THR 56 2HG2 THR 56 -7.811 -16.036 -9.130 413 HG23 THR 56 3HG2 THR 56 -7.414 -17.754 -9.152 414 H PHE 57 H PHE 57 -3.358 -16.122 -7.170 415 HA PHE 57 HA PHE 57 -3.367 -15.814 -4.253 416 HB2 PHE 57 1HB PHE 57 -1.016 -16.670 -5.945 417 HB3 PHE 57 2HB PHE 57 -0.849 -16.049 -4.306 418 HD1 PHE 57 1HD PHE 57 -2.420 -18.749 -6.301 419 HD2 PHE 57 2HD PHE 57 -1.105 -17.457 -2.464 420 HE1 PHE 57 1HE PHE 57 -2.803 -21.011 -5.412 421 HE2 PHE 57 2HE PHE 57 -1.484 -19.718 -1.569 422 HZ PHE 57 HZ PHE 57 -2.333 -21.498 -3.044 423 H THR 58 H THR 58 -3.105 -13.770 -3.629 424 HA THR 58 HA THR 58 -2.576 -11.746 -5.640 425 HB THR 58 HB THR 58 -3.027 -11.133 -2.738 426 HG1 THR 58 1HG THR 58 -4.665 -12.615 -3.305 427 HG21 THR 58 1HG2 THR 58 -4.254 -9.694 -5.046 428 HG22 THR 58 2HG2 THR 58 -2.539 -9.461 -4.709 429 HG23 THR 58 3HG2 THR 58 -3.741 -9.074 -3.478 430 H ARG 59 H ARG 59 -0.415 -13.538 -4.686 431 HA ARG 59 HA ARG 59 1.587 -11.507 -4.317 432 HB2 ARG 59 1HB ARG 59 0.728 -13.257 -2.070 433 HB3 ARG 59 2HB ARG 59 2.453 -12.976 -2.263 434 HG2 ARG 59 1HG ARG 59 1.998 -10.533 -2.218 435 HG3 ARG 59 2HG ARG 59 0.312 -10.903 -1.852 436 HD2 ARG 59 1HD ARG 59 0.893 -11.909 0.218 437 HD3 ARG 59 2HD ARG 59 2.608 -11.906 -0.188 438 HE ARG 59 HE ARG 59 2.111 -9.308 -0.214 439 HH11 ARG 59 2HH1 ARG 59 1.093 -11.746 2.053 440 HH12 ARG 59 1HH1 ARG 59 1.038 -10.657 3.400 441 HH21 ARG 59 2HH2 ARG 59 2.043 -7.864 1.551 442 HH22 ARG 59 1HH2 ARG 59 1.578 -8.449 3.113 443 H ARG 60 H ARG 60 2.942 -12.128 -5.869 444 HA ARG 60 HA ARG 60 3.216 -14.630 -6.988 445 HB2 ARG 60 1HB ARG 60 4.162 -12.416 -7.814 446 HB3 ARG 60 2HB ARG 60 5.509 -12.690 -6.717 447 HG2 ARG 60 1HG ARG 60 4.808 -14.859 -8.615 448 HG3 ARG 60 2HG ARG 60 5.592 -13.414 -9.256 449 HD2 ARG 60 1HD ARG 60 7.447 -13.693 -7.744 450 HD3 ARG 60 2HD ARG 60 6.638 -15.039 -6.942 451 HE ARG 60 HE ARG 60 6.793 -15.935 -9.451 452 HH11 ARG 60 2HH1 ARG 60 9.171 -14.420 -7.409 453 HH12 ARG 60 1HH1 ARG 60 10.511 -15.245 -8.135 454 HH21 ARG 60 2HH2 ARG 60 8.548 -17.027 -10.415 455 HH22 ARG 60 1HH2 ARG 60 10.155 -16.727 -9.846 456 H ASN 61 H ASN 61 5.179 -13.201 -4.387 457 HA ASN 61 HA ASN 61 6.943 -15.322 -4.013 458 HB2 ASN 61 1HB ASN 61 7.248 -13.120 -2.971 459 HB3 ASN 61 2HB ASN 61 5.853 -13.409 -1.935 460 HD21 ASN 61 1HD2 ASN 61 6.251 -14.181 0.005 461 HD22 ASN 61 2HD2 ASN 61 7.686 -15.008 0.496 462 H THR 62 H THR 62 3.805 -14.703 -2.468 463 HA THR 62 HA THR 62 3.801 -16.928 -0.763 464 HB THR 62 HB THR 62 1.373 -15.639 -2.020 465 HG1 THR 62 1HG THR 62 2.351 -14.942 0.522 466 HG21 THR 62 1HG2 THR 62 0.616 -16.304 0.462 467 HG22 THR 62 2HG2 THR 62 1.814 -17.568 0.184 468 HG23 THR 62 3HG2 THR 62 0.444 -17.394 -0.913 469 H MET 63 H MET 63 2.522 -16.529 -4.052 470 HA MET 63 HA MET 63 1.396 -19.089 -4.299 471 HB2 MET 63 1HB MET 63 1.285 -16.930 -5.831 472 HB3 MET 63 2HB MET 63 2.587 -17.749 -6.684 473 HG2 MET 63 1HG MET 63 0.879 -19.777 -6.533 474 HG3 MET 63 2HG MET 63 -0.277 -18.450 -6.463 475 HE1 MET 63 1HE MET 63 2.592 -19.743 -9.626 476 HE2 MET 63 2HE MET 63 3.086 -18.114 -9.164 477 HE3 MET 63 3HE MET 63 2.963 -19.379 -7.941 478 H ALA 64 H ALA 64 4.573 -17.868 -5.346 479 HA ALA 64 HA ALA 64 5.628 -20.100 -6.519 480 HB1 ALA 64 1HB ALA 64 6.864 -17.921 -4.892 481 HB2 ALA 64 2HB ALA 64 7.853 -19.265 -5.465 482 HB3 ALA 64 3HB ALA 64 6.997 -18.245 -6.621 483 H ARG 65 H ARG 65 5.785 -19.316 -3.045 484 HA ARG 65 HA ARG 65 7.045 -21.735 -2.297 485 HB2 ARG 65 1HB ARG 65 5.349 -19.878 -0.618 486 HB3 ARG 65 2HB ARG 65 6.440 -21.113 -0.003 487 HG2 ARG 65 1HG ARG 65 8.279 -19.861 -1.258 488 HG3 ARG 65 2HG ARG 65 7.114 -18.542 -1.386 489 HD2 ARG 65 1HD ARG 65 6.862 -18.950 1.198 490 HD3 ARG 65 2HD ARG 65 8.465 -19.664 1.022 491 HE ARG 65 HE ARG 65 8.161 -17.030 -0.130 492 HH11 ARG 65 2HH1 ARG 65 9.051 -18.896 2.671 493 HH12 ARG 65 1HH1 ARG 65 10.022 -17.638 3.362 494 HH21 ARG 65 2HH2 ARG 65 9.437 -15.366 0.769 495 HH22 ARG 65 1HH2 ARG 65 10.240 -15.631 2.280 496 H HIS 66 H HIS 66 3.652 -20.693 -2.250 497 HA HIS 66 HA HIS 66 2.472 -22.850 -1.026 498 HB2 HIS 66 1HB HIS 66 0.998 -21.127 -1.527 499 HB3 HIS 66 2HB HIS 66 1.562 -20.990 -3.190 500 HD1 HIS 66 1HD HIS 66 -0.442 -23.395 -1.037 501 HD2 HIS 66 2HD HIS 66 -0.035 -22.227 -5.003 502 HE1 HIS 66 1HE HIS 66 -2.259 -24.605 -2.284 503 H ALA 67 H ALA 67 3.385 -22.534 -4.437 504 HA ALA 67 HA ALA 67 2.325 -24.890 -5.429 505 HB1 ALA 67 1HB ALA 67 3.233 -24.034 -7.261 506 HB2 ALA 67 2HB ALA 67 4.216 -22.933 -6.295 507 HB3 ALA 67 3HB ALA 67 4.822 -24.541 -6.687 508 H ASP 68 H ASP 68 5.399 -24.360 -3.759 509 HA ASP 68 HA ASP 68 6.526 -26.883 -4.109 510 HB2 ASP 68 1HB ASP 68 7.865 -25.118 -3.202 511 HB3 ASP 68 2HB ASP 68 6.771 -24.909 -1.836 512 H ASN 69 H ASN 69 4.532 -25.704 -1.400 513 HA ASN 69 HA ASN 69 4.311 -28.375 -0.309 514 HB2 ASN 69 1HB ASN 69 3.353 -25.658 0.533 515 HB3 ASN 69 2HB ASN 69 2.680 -27.102 1.282 516 HD21 ASN 69 1HD2 ASN 69 5.163 -24.861 1.336 517 HD22 ASN 69 2HD2 ASN 69 6.224 -25.675 2.431 518 H CYS 70 H CYS 70 2.913 -26.949 -2.858 519 HA CYS 70 HA CYS 70 0.158 -27.651 -2.397 520 HB2 CYS 70 1HB CYS 70 0.680 -25.771 -3.850 521 HB3 CYS 70 2HB CYS 70 1.615 -26.818 -4.913 522 H ALA 71 H ALA 71 -1.020 -29.230 -3.626 523 HA ALA 71 HA ALA 71 0.650 -31.478 -4.550 524 HB1 ALA 71 1HB ALA 71 -0.742 -31.617 -2.299 525 HB2 ALA 71 2HB ALA 71 -2.039 -32.031 -3.421 526 HB3 ALA 71 3HB ALA 71 -0.568 -33.003 -3.376 527 H GLY 72 H GLY 72 -2.452 -29.797 -4.863 528 HA2 GLY 72 1HA GLY 72 -2.624 -29.687 -7.568 529 HA3 GLY 72 2HA GLY 72 -3.211 -31.303 -7.203 530 HA PRO 73 HA PRO 73 -6.839 -28.443 -7.086 531 HB2 PRO 73 1HB PRO 73 -8.492 -30.123 -8.433 532 HB3 PRO 73 2HB PRO 73 -7.404 -28.991 -9.245 533 HG2 PRO 73 1HG PRO 73 -7.052 -31.919 -8.732 534 HG3 PRO 73 2HG PRO 73 -6.695 -30.989 -10.199 535 HD2 PRO 73 1HD PRO 73 -4.776 -31.718 -8.433 536 HD3 PRO 73 2HD PRO 73 -4.689 -30.213 -9.371 537 H ASP 74 H ASP 74 -7.808 -28.473 -5.163 538 HA ASP 74 HA ASP 74 -8.981 -30.998 -4.219 539 HB2 ASP 74 1HB ASP 74 -7.009 -30.755 -2.891 540 HB3 ASP 74 2HB ASP 74 -7.327 -29.043 -2.619 541 H GLY 75 H GLY 75 -8.866 -27.492 -3.550 542 HA2 GLY 75 1HA GLY 75 -11.742 -27.320 -3.792 543 HA3 GLY 75 2HA GLY 75 -11.146 -27.092 -2.155 544 H VAL 76 H VAL 76 -12.158 -25.459 -4.762 545 HA VAL 76 HA VAL 76 -10.220 -23.422 -5.079 546 HB VAL 76 HB VAL 76 -11.922 -23.766 -6.769 547 HG11 VAL 76 1HG1 VAL 76 -14.245 -23.330 -6.422 548 HG12 VAL 76 2HG1 VAL 76 -13.714 -24.447 -5.164 549 HG13 VAL 76 3HG1 VAL 76 -13.947 -22.740 -4.788 550 HG21 VAL 76 1HG2 VAL 76 -10.927 -21.469 -6.296 551 HG22 VAL 76 2HG2 VAL 76 -12.405 -21.516 -7.258 552 HG23 VAL 76 3HG2 VAL 76 -12.477 -21.074 -5.552 553 H GLU 77 H GLU 77 -9.945 -21.480 -4.085 554 HA GLU 77 HA GLU 77 -11.375 -21.110 -1.558 555 HB2 GLU 77 1HB GLU 77 -9.571 -19.555 -0.981 556 HB3 GLU 77 2HB GLU 77 -8.935 -21.127 -1.446 557 HG2 GLU 77 1HG GLU 77 -8.701 -20.053 -3.794 558 HG3 GLU 77 2HG GLU 77 -8.814 -18.531 -2.912 559 H GLY 78 H GLY 78 -10.502 -19.344 -4.508 560 HA2 GLY 78 1HA GLY 78 -11.531 -16.857 -3.978 561 HA3 GLY 78 2HA GLY 78 -11.571 -17.604 -5.567 562 H GLU 79 H GLU 79 -13.543 -15.869 -4.921 563 HA GLU 79 HA GLU 79 -15.864 -17.651 -4.724 564 HB2 GLU 79 1HB GLU 79 -17.049 -16.009 -3.328 565 HB3 GLU 79 2HB GLU 79 -15.620 -16.640 -2.524 566 HG2 GLU 79 1HG GLU 79 -14.492 -14.652 -2.658 567 HG3 GLU 79 2HG GLU 79 -15.397 -14.108 -4.069 568 H ASN 80 H ASN 80 -17.913 -16.421 -5.389 569 HA ASN 80 HA ASN 80 -17.300 -14.504 -7.535 570 HB2 ASN 80 1HB ASN 80 -19.255 -16.809 -7.712 571 HB3 ASN 80 2HB ASN 80 -18.983 -15.595 -8.959 572 HD21 ASN 80 1HD2 ASN 80 -18.542 -17.492 -10.280 573 HD22 ASN 80 2HD2 ASN 80 -16.951 -18.166 -10.269 574 H SER 81 H SER 81 -18.096 -12.669 -6.677 575 HA SER 81 HA SER 81 -20.279 -12.449 -4.947 576 HB2 SER 81 1HB SER 81 -20.270 -10.028 -5.597 577 HB3 SER 81 2HB SER 81 -18.686 -10.645 -5.129 578 HG SER 81 HG SER 81 -19.662 -10.088 -7.724 579 H GLY 82 H GLY 82 -22.407 -11.625 -5.299 580 HA2 GLY 82 1HA GLY 82 -23.492 -11.332 -7.922 581 HA3 GLY 82 2HA GLY 82 -23.888 -12.903 -7.241 582 HA PRO 83 HA PRO 83 -27.403 -11.038 -5.376 583 HB2 PRO 83 1HB PRO 83 -27.885 -12.874 -3.435 584 HB3 PRO 83 2HB PRO 83 -28.225 -13.171 -5.144 585 HG2 PRO 83 1HG PRO 83 -25.878 -14.039 -3.501 586 HG3 PRO 83 2HG PRO 83 -26.810 -14.960 -4.696 587 HD2 PRO 83 1HD PRO 83 -24.412 -13.839 -5.268 588 HD3 PRO 83 2HD PRO 83 -25.699 -14.013 -6.480 589 H SER 84 H SER 84 -27.403 -9.314 -4.090 590 HA SER 84 HA SER 84 -25.847 -9.421 -1.589 591 HB2 SER 84 1HB SER 84 -24.885 -7.853 -3.248 592 HB3 SER 84 2HB SER 84 -26.418 -6.981 -3.290 593 HG SER 84 HG SER 84 -25.287 -5.887 -1.811 594 H SER 85 H SER 85 -26.801 -8.718 0.273 595 HA SER 85 HA SER 85 -29.643 -7.961 0.074 596 HB2 SER 85 1HB SER 85 -28.973 -10.248 1.114 597 HB3 SER 85 2HB SER 85 -28.463 -9.286 2.501 598 HG SER 85 HG SER 85 -30.927 -8.566 1.612 599 H GLY 86 H GLY 86 -30.464 -6.491 1.655 600 HA2 GLY 86 1HA GLY 86 -28.580 -4.411 2.301 601 HA3 GLY 86 2HA GLY 86 -30.310 -4.387 2.609 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -26.224 1.449 -13.866 2 HA2 GLY 1 1HA GLY 1 -27.763 2.212 -11.499 3 HA3 GLY 1 2HA GLY 1 -27.921 0.712 -12.401 4 H SER 2 H SER 2 -27.007 1.912 -9.522 5 HA SER 2 HA SER 2 -24.584 0.898 -8.798 6 HB2 SER 2 1HB SER 2 -25.477 0.641 -6.524 7 HB3 SER 2 2HB SER 2 -26.059 2.134 -7.261 8 HG SER 2 HG SER 2 -27.448 -0.244 -6.712 9 H SER 3 H SER 3 -23.670 -1.047 -8.499 10 HA SER 3 HA SER 3 -25.387 -3.420 -8.830 11 HB2 SER 3 1HB SER 3 -22.532 -2.976 -9.729 12 HB3 SER 3 2HB SER 3 -23.353 -4.536 -9.783 13 HG SER 3 HG SER 3 -25.014 -3.051 -10.981 14 H GLY 4 H GLY 4 -25.567 -4.581 -7.038 15 HA2 GLY 4 1HA GLY 4 -23.286 -5.398 -5.524 16 HA3 GLY 4 2HA GLY 4 -24.226 -4.188 -4.664 17 H SER 5 H SER 5 -23.833 -6.783 -3.700 18 HA SER 5 HA SER 5 -25.951 -8.544 -4.322 19 HB2 SER 5 1HB SER 5 -23.839 -9.187 -3.137 20 HB3 SER 5 2HB SER 5 -24.443 -8.356 -1.704 21 HG SER 5 HG SER 5 -24.888 -10.624 -1.705 22 H SER 6 H SER 6 -28.039 -8.201 -4.008 23 HA SER 6 HA SER 6 -28.872 -6.641 -1.650 24 HB2 SER 6 1HB SER 6 -29.287 -5.735 -4.072 25 HB3 SER 6 2HB SER 6 -30.602 -6.910 -4.088 26 HG SER 6 HG SER 6 -31.664 -5.385 -3.106 27 H GLY 7 H GLY 7 -29.049 -8.479 -0.327 28 HA2 GLY 7 1HA GLY 7 -31.547 -9.922 -0.691 29 HA3 GLY 7 2HA GLY 7 -30.095 -10.913 -0.693 30 H ARG 8 H ARG 8 -29.499 -11.723 1.199 31 HA ARG 8 HA ARG 8 -30.518 -10.432 3.641 32 HB2 ARG 8 1HB ARG 8 -30.142 -13.274 2.847 33 HB3 ARG 8 2HB ARG 8 -29.865 -12.863 4.534 34 HG2 ARG 8 1HG ARG 8 -32.104 -11.994 4.737 35 HG3 ARG 8 2HG ARG 8 -32.391 -12.254 3.016 36 HD2 ARG 8 1HD ARG 8 -33.416 -14.050 4.213 37 HD3 ARG 8 2HD ARG 8 -31.992 -14.687 3.391 38 HE ARG 8 HE ARG 8 -31.497 -13.867 6.102 39 HH11 ARG 8 2HH1 ARG 8 -32.567 -16.461 4.041 40 HH12 ARG 8 1HH1 ARG 8 -32.164 -17.705 5.178 41 HH21 ARG 8 2HH2 ARG 8 -30.962 -15.495 7.607 42 HH22 ARG 8 1HH2 ARG 8 -31.252 -17.154 7.206 43 H THR 9 H THR 9 -28.896 -9.088 4.243 44 HA THR 9 HA THR 9 -26.486 -10.297 5.269 45 HB THR 9 HB THR 9 -25.763 -9.941 2.983 46 HG1 THR 9 1HG THR 9 -23.925 -9.208 3.727 47 HG21 THR 9 1HG2 THR 9 -25.611 -7.407 2.304 48 HG22 THR 9 2HG2 THR 9 -26.982 -7.247 3.401 49 HG23 THR 9 3HG2 THR 9 -27.087 -8.325 2.010 50 H HIS 10 H HIS 10 -25.382 -8.974 6.748 51 HA HIS 10 HA HIS 10 -26.886 -6.577 7.563 52 HB2 HIS 10 1HB HIS 10 -26.789 -8.542 9.160 53 HB3 HIS 10 2HB HIS 10 -25.063 -8.228 9.315 54 HD1 HIS 10 1HD HIS 10 -25.398 -7.696 11.842 55 HD2 HIS 10 2HD HIS 10 -27.409 -5.139 9.256 56 HE1 HIS 10 1HE HIS 10 -26.107 -5.736 13.250 57 H THR 11 H THR 11 -24.104 -7.504 6.056 58 HA THR 11 HA THR 11 -22.502 -5.300 7.149 59 HB THR 11 HB THR 11 -20.612 -6.298 5.893 60 HG1 THR 11 1HG THR 11 -22.439 -8.419 5.346 61 HG21 THR 11 1HG2 THR 11 -22.122 -7.781 7.981 62 HG22 THR 11 2HG2 THR 11 -20.510 -7.066 8.043 63 HG23 THR 11 3HG2 THR 11 -20.763 -8.601 7.212 64 H GLY 12 H GLY 12 -22.930 -3.431 6.145 65 HA2 GLY 12 1HA GLY 12 -22.245 -3.035 3.437 66 HA3 GLY 12 2HA GLY 12 -23.994 -3.133 3.576 67 H GLU 13 H GLU 13 -24.169 -0.959 2.882 68 HA GLU 13 HA GLU 13 -24.528 1.259 3.252 69 HB2 GLU 13 1HB GLU 13 -25.233 0.261 5.554 70 HB3 GLU 13 2HB GLU 13 -23.717 0.946 6.123 71 HG2 GLU 13 1HG GLU 13 -25.556 2.457 6.550 72 HG3 GLU 13 2HG GLU 13 -24.433 3.158 5.387 73 H LYS 14 H LYS 14 -22.066 0.483 2.261 74 HA LYS 14 HA LYS 14 -19.779 1.361 3.517 75 HB2 LYS 14 1HB LYS 14 -20.537 1.491 0.597 76 HB3 LYS 14 2HB LYS 14 -18.919 1.840 1.192 77 HG2 LYS 14 1HG LYS 14 -18.453 -0.337 1.618 78 HG3 LYS 14 2HG LYS 14 -20.128 -0.736 2.007 79 HD2 LYS 14 1HD LYS 14 -20.714 -0.687 -0.348 80 HD3 LYS 14 2HD LYS 14 -19.072 -0.194 -0.768 81 HE2 LYS 14 1HE LYS 14 -19.600 -2.731 0.741 82 HE3 LYS 14 2HE LYS 14 -19.713 -2.675 -1.018 83 HZ1 LYS 14 1HZ LYS 14 -17.345 -2.286 0.694 84 HZ2 LYS 14 2HZ LYS 14 -17.384 -1.642 -0.869 85 HZ3 LYS 14 3HZ LYS 14 -17.537 -3.310 -0.638 86 HA PRO 15 HA PRO 15 -20.922 5.693 3.976 87 HB2 PRO 15 1HB PRO 15 -18.886 6.280 5.673 88 HB3 PRO 15 2HB PRO 15 -20.374 5.482 6.197 89 HG2 PRO 15 1HG PRO 15 -17.706 4.284 5.560 90 HG3 PRO 15 2HG PRO 15 -18.805 3.917 6.902 91 HD2 PRO 15 1HD PRO 15 -18.639 2.365 4.689 92 HD3 PRO 15 2HD PRO 15 -20.149 2.572 5.599 93 H TYR 16 H TYR 16 -17.665 4.442 3.350 94 HA TYR 16 HA TYR 16 -16.694 6.933 2.311 95 HB2 TYR 16 1HB TYR 16 -15.506 4.168 2.016 96 HB3 TYR 16 2HB TYR 16 -14.676 5.698 1.757 97 HD1 TYR 16 2HD TYR 16 -16.240 3.552 4.336 98 HD2 TYR 16 1HD TYR 16 -13.705 6.881 3.563 99 HE1 TYR 16 2HE TYR 16 -15.559 3.576 6.699 100 HE2 TYR 16 1HE TYR 16 -13.017 6.913 5.924 101 HH TYR 16 HH TYR 16 -13.941 6.154 8.121 102 H ALA 17 H ALA 17 -17.591 7.693 0.497 103 HA ALA 17 HA ALA 17 -17.929 5.835 -1.767 104 HB1 ALA 17 1HB ALA 17 -20.074 6.569 -1.366 105 HB2 ALA 17 2HB ALA 17 -19.546 8.174 -0.860 106 HB3 ALA 17 3HB ALA 17 -19.524 7.736 -2.568 107 H CYS 18 H CYS 18 -16.531 6.102 -3.367 108 HA CYS 18 HA CYS 18 -14.604 8.111 -3.486 109 HB2 CYS 18 1HB CYS 18 -14.484 5.892 -4.637 110 HB3 CYS 18 2HB CYS 18 -15.640 6.494 -5.821 111 H SER 19 H SER 19 -14.314 9.856 -4.961 112 HA SER 19 HA SER 19 -16.838 11.187 -5.615 113 HB2 SER 19 1HB SER 19 -15.686 13.233 -5.506 114 HB3 SER 19 2HB SER 19 -14.951 12.273 -4.222 115 HG SER 19 HG SER 19 -13.920 12.836 -6.797 116 H HIS 20 H HIS 20 -13.780 10.195 -7.073 117 HA HIS 20 HA HIS 20 -14.224 11.301 -9.627 118 HB2 HIS 20 1HB HIS 20 -12.527 8.977 -8.712 119 HB3 HIS 20 2HB HIS 20 -12.527 9.574 -10.369 120 HD1 HIS 20 1HD HIS 20 -12.447 11.595 -7.154 121 HD2 HIS 20 2HD HIS 20 -10.137 10.851 -10.526 122 HE1 HIS 20 1HE HIS 20 -10.484 13.158 -6.982 123 H CYS 21 H CYS 21 -15.202 8.277 -8.147 124 HA CYS 21 HA CYS 21 -16.864 7.731 -10.508 125 HB2 CYS 21 1HB CYS 21 -16.354 5.386 -10.441 126 HB3 CYS 21 2HB CYS 21 -14.829 6.264 -10.489 127 H ASP 22 H ASP 22 -18.406 5.774 -9.852 128 HA ASP 22 HA ASP 22 -19.752 6.670 -7.411 129 HB2 ASP 22 1HB ASP 22 -21.119 6.682 -9.419 130 HB3 ASP 22 2HB ASP 22 -20.739 4.989 -9.724 131 H LYS 23 H LYS 23 -17.604 5.280 -6.709 132 HA LYS 23 HA LYS 23 -18.561 2.557 -6.127 133 HB2 LYS 23 1HB LYS 23 -15.779 3.689 -6.365 134 HB3 LYS 23 2HB LYS 23 -16.093 2.138 -5.599 135 HG2 LYS 23 1HG LYS 23 -17.199 2.596 -8.314 136 HG3 LYS 23 2HG LYS 23 -15.461 2.333 -8.152 137 HD2 LYS 23 1HD LYS 23 -16.005 0.267 -6.823 138 HD3 LYS 23 2HD LYS 23 -17.692 0.501 -7.287 139 HE2 LYS 23 1HE LYS 23 -16.955 -0.966 -8.908 140 HE3 LYS 23 2HE LYS 23 -16.731 0.591 -9.704 141 HZ1 LYS 23 1HZ LYS 23 -14.571 0.203 -9.876 142 HZ2 LYS 23 2HZ LYS 23 -14.821 -1.357 -9.275 143 HZ3 LYS 23 3HZ LYS 23 -14.422 -0.098 -8.218 144 H THR 24 H THR 24 -18.542 1.792 -4.034 145 HA THR 24 HA THR 24 -17.902 3.757 -1.933 146 HB THR 24 HB THR 24 -19.785 2.887 -0.605 147 HG1 THR 24 1HG THR 24 -21.366 1.636 -1.995 148 HG21 THR 24 1HG2 THR 24 -20.736 4.693 -1.529 149 HG22 THR 24 2HG2 THR 24 -21.544 3.567 -2.619 150 HG23 THR 24 3HG2 THR 24 -20.042 4.349 -3.112 151 H PHE 25 H PHE 25 -17.347 2.849 0.147 152 HA PHE 25 HA PHE 25 -16.659 0.021 0.211 153 HB2 PHE 25 1HB PHE 25 -14.538 2.061 0.862 154 HB3 PHE 25 2HB PHE 25 -14.350 0.323 0.654 155 HD1 PHE 25 1HD PHE 25 -15.165 3.446 -1.171 156 HD2 PHE 25 2HD PHE 25 -13.786 -0.573 -1.422 157 HE1 PHE 25 1HE PHE 25 -14.577 3.799 -3.534 158 HE2 PHE 25 2HE PHE 25 -13.195 -0.226 -3.785 159 HZ PHE 25 HZ PHE 25 -13.590 1.962 -4.844 160 H ARG 26 H ARG 26 -16.169 -0.760 2.340 161 HA ARG 26 HA ARG 26 -17.710 0.549 4.363 162 HB2 ARG 26 1HB ARG 26 -16.918 -1.358 5.798 163 HB3 ARG 26 2HB ARG 26 -17.752 -1.836 4.325 164 HG2 ARG 26 1HG ARG 26 -15.678 -2.391 3.259 165 HG3 ARG 26 2HG ARG 26 -14.759 -1.746 4.621 166 HD2 ARG 26 1HD ARG 26 -15.390 -3.500 6.028 167 HD3 ARG 26 2HD ARG 26 -16.748 -3.956 5.001 168 HE ARG 26 HE ARG 26 -14.666 -4.431 3.391 169 HH11 ARG 26 2HH1 ARG 26 -15.258 -5.285 6.714 170 HH12 ARG 26 1HH1 ARG 26 -14.324 -6.743 6.641 171 HH21 ARG 26 2HH2 ARG 26 -13.435 -6.348 3.283 172 HH22 ARG 26 1HH2 ARG 26 -13.287 -7.346 4.690 173 H GLN 27 H GLN 27 -14.256 -0.084 3.873 174 HA GLN 27 HA GLN 27 -13.677 1.808 6.055 175 HB2 GLN 27 1HB GLN 27 -11.934 -0.413 4.972 176 HB3 GLN 27 2HB GLN 27 -11.500 0.687 6.274 177 HG2 GLN 27 1HG GLN 27 -13.975 -0.953 6.514 178 HG3 GLN 27 2HG GLN 27 -12.404 -1.702 6.793 179 HE21 GLN 27 1HE2 GLN 27 -14.581 0.839 7.838 180 HE22 GLN 27 2HE2 GLN 27 -13.930 1.004 9.429 181 H LYS 28 H LYS 28 -11.916 3.273 5.772 182 HA LYS 28 HA LYS 28 -11.870 4.552 3.277 183 HB2 LYS 28 1HB LYS 28 -11.387 5.811 5.259 184 HB3 LYS 28 2HB LYS 28 -10.032 4.765 5.662 185 HG2 LYS 28 1HG LYS 28 -8.914 6.545 4.793 186 HG3 LYS 28 2HG LYS 28 -9.135 5.586 3.328 187 HD2 LYS 28 1HD LYS 28 -11.035 6.917 2.684 188 HD3 LYS 28 2HD LYS 28 -10.989 7.795 4.214 189 HE2 LYS 28 1HE LYS 28 -9.994 9.202 2.583 190 HE3 LYS 28 2HE LYS 28 -8.684 8.570 3.579 191 HZ1 LYS 28 1HZ LYS 28 -8.081 8.475 1.266 192 HZ2 LYS 28 2HZ LYS 28 -9.474 7.592 0.889 193 HZ3 LYS 28 3HZ LYS 28 -8.268 6.899 1.853 194 H GLN 29 H GLN 29 -9.509 2.404 4.826 195 HA GLN 29 HA GLN 29 -7.409 2.510 3.099 196 HB2 GLN 29 1HB GLN 29 -7.447 1.088 5.094 197 HB3 GLN 29 2HB GLN 29 -8.592 0.006 4.313 198 HG2 GLN 29 1HG GLN 29 -6.372 -0.932 4.243 199 HG3 GLN 29 2HG GLN 29 -6.914 -0.532 2.614 200 HE21 GLN 29 1HE2 GLN 29 -4.934 0.602 5.297 201 HE22 GLN 29 2HE2 GLN 29 -3.821 1.505 4.333 202 H LEU 30 H LEU 30 -10.462 0.813 2.605 203 HA LEU 30 HA LEU 30 -9.720 -0.499 0.210 204 HB2 LEU 30 1HB LEU 30 -12.308 0.162 1.544 205 HB3 LEU 30 2HB LEU 30 -12.315 -0.448 -0.110 206 HG LEU 30 HG LEU 30 -12.694 -2.317 1.267 207 HD11 LEU 30 1HD1 LEU 30 -10.526 -2.195 -0.395 208 HD12 LEU 30 2HD1 LEU 30 -11.185 -3.665 0.321 209 HD13 LEU 30 3HD1 LEU 30 -9.828 -2.843 1.090 210 HD21 LEU 30 1HD2 LEU 30 -10.545 -1.145 2.992 211 HD22 LEU 30 2HD2 LEU 30 -10.949 -2.859 3.089 212 HD23 LEU 30 3HD2 LEU 30 -12.180 -1.642 3.429 213 H LEU 31 H LEU 31 -11.580 2.480 0.796 214 HA LEU 31 HA LEU 31 -11.882 3.138 -1.940 215 HB2 LEU 31 1HB LEU 31 -13.413 4.160 -0.528 216 HB3 LEU 31 2HB LEU 31 -12.173 4.635 0.631 217 HG LEU 31 HG LEU 31 -11.372 6.328 -1.003 218 HD11 LEU 31 1HD1 LEU 31 -13.062 6.919 -2.808 219 HD12 LEU 31 2HD1 LEU 31 -13.728 5.305 -2.559 220 HD13 LEU 31 3HD1 LEU 31 -12.057 5.497 -3.088 221 HD21 LEU 31 1HD2 LEU 31 -14.216 6.435 -0.027 222 HD22 LEU 31 2HD2 LEU 31 -13.404 7.816 -0.765 223 HD23 LEU 31 3HD2 LEU 31 -12.774 7.117 0.727 224 H ASP 32 H ASP 32 -9.237 3.359 0.191 225 HA ASP 32 HA ASP 32 -7.930 5.546 -1.174 226 HB2 ASP 32 1HB ASP 32 -7.662 4.981 1.298 227 HB3 ASP 32 2HB ASP 32 -6.663 3.627 0.779 228 H MET 33 H MET 33 -7.476 2.032 -0.896 229 HA MET 33 HA MET 33 -5.296 1.960 -2.738 230 HB2 MET 33 1HB MET 33 -5.549 -0.473 -2.626 231 HB3 MET 33 2HB MET 33 -5.573 0.241 -1.019 232 HG2 MET 33 1HG MET 33 -7.845 -0.146 -0.743 233 HG3 MET 33 2HG MET 33 -8.120 -0.340 -2.472 234 HE1 MET 33 1HE MET 33 -9.447 -2.693 -2.361 235 HE2 MET 33 2HE MET 33 -8.269 -2.402 -3.641 236 HE3 MET 33 3HE MET 33 -8.331 -3.972 -2.839 237 H HIS 34 H HIS 34 -8.729 1.956 -3.039 238 HA HIS 34 HA HIS 34 -8.936 0.684 -5.565 239 HB2 HIS 34 1HB HIS 34 -10.995 0.759 -4.564 240 HB3 HIS 34 2HB HIS 34 -10.711 2.345 -3.852 241 HD1 HIS 34 1HD HIS 34 -11.834 0.708 -7.043 242 HD2 HIS 34 2HD HIS 34 -11.594 4.498 -5.358 243 HE1 HIS 34 1HE HIS 34 -13.141 2.210 -8.579 244 H PHE 35 H PHE 35 -8.605 4.064 -4.571 245 HA PHE 35 HA PHE 35 -8.851 5.167 -7.167 246 HB2 PHE 35 1HB PHE 35 -9.124 6.438 -5.025 247 HB3 PHE 35 2HB PHE 35 -7.379 6.348 -4.804 248 HD1 PHE 35 2HD PHE 35 -5.962 7.238 -6.828 249 HD2 PHE 35 1HD PHE 35 -10.017 8.281 -6.064 250 HE1 PHE 35 2HE PHE 35 -5.686 9.280 -8.173 251 HE2 PHE 35 1HE PHE 35 -9.748 10.325 -7.408 252 HZ PHE 35 HZ PHE 35 -7.580 10.827 -8.464 253 H LYS 36 H LYS 36 -5.980 4.567 -5.141 254 HA LYS 36 HA LYS 36 -4.108 5.270 -7.139 255 HB2 LYS 36 1HB LYS 36 -3.954 3.773 -4.547 256 HB3 LYS 36 2HB LYS 36 -2.562 3.806 -5.621 257 HG2 LYS 36 1HG LYS 36 -3.919 6.336 -4.773 258 HG3 LYS 36 2HG LYS 36 -2.711 5.553 -3.751 259 HD2 LYS 36 1HD LYS 36 -2.190 6.222 -6.637 260 HD3 LYS 36 2HD LYS 36 -1.883 7.370 -5.332 261 HE2 LYS 36 1HE LYS 36 -0.730 4.590 -5.392 262 HE3 LYS 36 2HE LYS 36 0.095 5.990 -6.076 263 HZ1 LYS 36 1HZ LYS 36 -0.766 5.747 -3.244 264 HZ2 LYS 36 2HZ LYS 36 0.114 7.025 -3.918 265 HZ3 LYS 36 3HZ LYS 36 0.811 5.488 -3.801 266 H ARG 37 H ARG 37 -6.179 2.681 -6.988 267 HA ARG 37 HA ARG 37 -4.367 0.828 -8.345 268 HB2 ARG 37 1HB ARG 37 -5.617 -0.256 -6.655 269 HB3 ARG 37 2HB ARG 37 -7.112 0.528 -7.148 270 HG2 ARG 37 1HG ARG 37 -7.448 -0.903 -8.907 271 HG3 ARG 37 2HG ARG 37 -5.731 -1.277 -9.070 272 HD2 ARG 37 1HD ARG 37 -5.778 -2.858 -7.419 273 HD3 ARG 37 2HD ARG 37 -7.103 -2.075 -6.559 274 HE ARG 37 HE ARG 37 -8.559 -3.381 -7.731 275 HH11 ARG 37 2HH1 ARG 37 -5.527 -3.288 -9.438 276 HH12 ARG 37 1HH1 ARG 37 -6.013 -4.448 -10.629 277 HH21 ARG 37 2HH2 ARG 37 -9.210 -4.910 -9.293 278 HH22 ARG 37 1HH2 ARG 37 -8.108 -5.370 -10.546 279 H TYR 38 H TYR 38 -7.715 1.978 -8.815 280 HA TYR 38 HA TYR 38 -7.636 1.320 -11.615 281 HB2 TYR 38 1HB TYR 38 -9.687 2.606 -9.826 282 HB3 TYR 38 2HB TYR 38 -9.914 2.517 -11.569 283 HD1 TYR 38 1HD TYR 38 -9.097 0.312 -8.666 284 HD2 TYR 38 2HD TYR 38 -11.008 0.679 -12.450 285 HE1 TYR 38 1HE TYR 38 -9.997 -1.964 -8.425 286 HE2 TYR 38 2HE TYR 38 -11.914 -1.595 -12.219 287 HH TYR 38 HH TYR 38 -11.223 -3.566 -9.343 288 H HIS 39 H HIS 39 -8.374 4.394 -9.960 289 HA HIS 39 HA HIS 39 -7.993 6.026 -12.193 290 HB2 HIS 39 1HB HIS 39 -7.673 6.704 -9.262 291 HB3 HIS 39 2HB HIS 39 -7.794 7.886 -10.562 292 HD1 HIS 39 1HD HIS 39 -10.144 7.088 -12.140 293 HD2 HIS 39 2HD HIS 39 -10.056 6.639 -8.011 294 HE1 HIS 39 1HE HIS 39 -12.553 6.991 -11.423 295 H ASP 40 H ASP 40 -5.715 4.297 -10.433 296 HA ASP 40 HA ASP 40 -3.546 5.735 -11.760 297 HB2 ASP 40 1HB ASP 40 -3.956 6.391 -9.225 298 HB3 ASP 40 2HB ASP 40 -3.072 4.895 -8.935 299 HA PRO 41 HA PRO 41 -2.708 1.432 -12.633 300 HB2 PRO 41 1HB PRO 41 -0.665 1.917 -14.354 301 HB3 PRO 41 2HB PRO 41 -2.365 2.090 -14.807 302 HG2 PRO 41 1HG PRO 41 -0.397 4.195 -13.998 303 HG3 PRO 41 2HG PRO 41 -1.594 4.226 -15.307 304 HD2 PRO 41 1HD PRO 41 -2.002 5.458 -12.930 305 HD3 PRO 41 2HD PRO 41 -3.326 4.753 -13.881 306 H ASN 42 H ASN 42 -0.980 3.612 -10.822 307 HA ASN 42 HA ASN 42 1.567 2.408 -10.655 308 HB2 ASN 42 1HB ASN 42 0.012 4.339 -8.996 309 HB3 ASN 42 2HB ASN 42 1.416 3.568 -8.264 310 HD21 ASN 42 1HD2 ASN 42 0.484 5.155 -11.298 311 HD22 ASN 42 2HD2 ASN 42 1.950 6.050 -11.478 312 H PHE 43 H PHE 43 -1.053 2.321 -8.232 313 HA PHE 43 HA PHE 43 0.045 0.236 -6.720 314 HB2 PHE 43 1HB PHE 43 -1.787 1.828 -6.012 315 HB3 PHE 43 2HB PHE 43 -2.901 0.854 -6.965 316 HD1 PHE 43 1HD PHE 43 -2.651 -1.780 -6.430 317 HD2 PHE 43 2HD PHE 43 -1.746 1.413 -3.766 318 HE1 PHE 43 1HE PHE 43 -2.969 -3.292 -4.515 319 HE2 PHE 43 2HE PHE 43 -2.062 -0.093 -1.847 320 HZ PHE 43 HZ PHE 43 -2.674 -2.450 -2.220 321 H VAL 44 H VAL 44 -0.086 -1.943 -6.817 322 HA VAL 44 HA VAL 44 -1.940 -3.230 -8.649 323 HB VAL 44 HB VAL 44 -0.029 -2.781 -10.098 324 HG11 VAL 44 1HG1 VAL 44 1.498 -3.118 -7.849 325 HG12 VAL 44 2HG1 VAL 44 1.832 -4.590 -8.762 326 HG13 VAL 44 3HG1 VAL 44 2.113 -3.012 -9.498 327 HG21 VAL 44 1HG2 VAL 44 -0.596 -4.707 -11.048 328 HG22 VAL 44 2HG2 VAL 44 0.592 -5.524 -10.031 329 HG23 VAL 44 3HG2 VAL 44 -1.080 -5.376 -9.489 330 HA PRO 45 HA PRO 45 -1.724 -5.833 -4.997 331 HB2 PRO 45 1HB PRO 45 -3.901 -7.321 -5.644 332 HB3 PRO 45 2HB PRO 45 -4.018 -5.707 -4.932 333 HG2 PRO 45 1HG PRO 45 -4.274 -6.537 -7.797 334 HG3 PRO 45 2HG PRO 45 -5.256 -5.385 -6.874 335 HD2 PRO 45 1HD PRO 45 -3.300 -4.599 -8.574 336 HD3 PRO 45 2HD PRO 45 -3.710 -3.691 -7.104 337 H ALA 46 H ALA 46 -0.690 -7.718 -4.682 338 HA ALA 46 HA ALA 46 0.325 -9.169 -6.934 339 HB1 ALA 46 1HB ALA 46 1.926 -9.320 -5.370 340 HB2 ALA 46 2HB ALA 46 0.786 -9.114 -4.039 341 HB3 ALA 46 3HB ALA 46 0.992 -10.698 -4.787 342 H ALA 47 H ALA 47 -0.949 -10.514 -8.033 343 HA ALA 47 HA ALA 47 -2.680 -12.348 -6.506 344 HB1 ALA 47 1HB ALA 47 -4.149 -10.900 -7.644 345 HB2 ALA 47 2HB ALA 47 -3.198 -10.972 -9.128 346 HB3 ALA 47 3HB ALA 47 -4.113 -12.383 -8.597 347 H PHE 48 H PHE 48 -1.661 -14.253 -6.496 348 HA PHE 48 HA PHE 48 -0.767 -15.339 -9.078 349 HB2 PHE 48 1HB PHE 48 0.685 -15.605 -6.436 350 HB3 PHE 48 2HB PHE 48 1.130 -16.432 -7.926 351 HD1 PHE 48 2HD PHE 48 0.763 -13.086 -6.385 352 HD2 PHE 48 1HD PHE 48 2.486 -15.391 -9.520 353 HE1 PHE 48 2HE PHE 48 2.154 -11.162 -7.030 354 HE2 PHE 48 1HE PHE 48 3.881 -13.470 -10.170 355 HZ PHE 48 HZ PHE 48 3.715 -11.352 -8.925 356 H VAL 49 H VAL 49 -1.953 -17.057 -9.549 357 HA VAL 49 HA VAL 49 -3.037 -18.685 -7.351 358 HB VAL 49 HB VAL 49 -3.991 -18.177 -10.151 359 HG11 VAL 49 1HG1 VAL 49 -4.790 -20.475 -8.370 360 HG12 VAL 49 2HG1 VAL 49 -5.675 -19.966 -9.810 361 HG13 VAL 49 3HG1 VAL 49 -4.026 -20.577 -9.956 362 HG21 VAL 49 1HG2 VAL 49 -4.999 -16.678 -8.710 363 HG22 VAL 49 2HG2 VAL 49 -6.174 -17.993 -8.744 364 HG23 VAL 49 3HG2 VAL 49 -5.065 -17.836 -7.382 365 H CYS 50 H CYS 50 -2.752 -20.887 -7.298 366 HA CYS 50 HA CYS 50 -0.418 -21.913 -8.565 367 HB2 CYS 50 1HB CYS 50 -1.493 -22.551 -6.278 368 HB3 CYS 50 2HB CYS 50 -2.472 -23.654 -7.238 369 H SER 51 H SER 51 -0.210 -22.899 -10.461 370 HA SER 51 HA SER 51 -2.555 -23.369 -12.088 371 HB2 SER 51 1HB SER 51 0.329 -23.929 -12.801 372 HB3 SER 51 2HB SER 51 -1.027 -23.711 -13.908 373 HG SER 51 HG SER 51 0.603 -21.862 -12.936 374 H LYS 52 H LYS 52 -1.128 -25.114 -9.751 375 HA LYS 52 HA LYS 52 -1.308 -27.701 -11.101 376 HB2 LYS 52 1HB LYS 52 -0.339 -26.927 -8.346 377 HB3 LYS 52 2HB LYS 52 -0.420 -28.585 -8.927 378 HG2 LYS 52 1HG LYS 52 1.043 -27.691 -10.881 379 HG3 LYS 52 2HG LYS 52 1.401 -26.374 -9.761 380 HD2 LYS 52 1HD LYS 52 3.083 -27.816 -9.202 381 HD3 LYS 52 2HD LYS 52 1.829 -28.390 -8.099 382 HE2 LYS 52 1HE LYS 52 2.413 -29.553 -10.820 383 HE3 LYS 52 2HE LYS 52 2.982 -30.222 -9.292 384 HZ1 LYS 52 1HZ LYS 52 1.075 -31.431 -9.781 385 HZ2 LYS 52 2HZ LYS 52 0.217 -30.077 -10.319 386 HZ3 LYS 52 3HZ LYS 52 0.526 -30.281 -8.668 387 H CYS 53 H CYS 53 -2.578 -26.117 -8.172 388 HA CYS 53 HA CYS 53 -4.814 -28.030 -8.203 389 HB2 CYS 53 1HB CYS 53 -5.135 -27.436 -5.829 390 HB3 CYS 53 2HB CYS 53 -3.524 -28.076 -6.134 391 H GLY 54 H GLY 54 -4.003 -24.600 -7.846 392 HA2 GLY 54 1HA GLY 54 -5.378 -22.984 -9.043 393 HA3 GLY 54 2HA GLY 54 -6.775 -23.974 -8.647 394 H LYS 55 H LYS 55 -4.210 -23.180 -6.387 395 HA LYS 55 HA LYS 55 -6.182 -21.930 -4.645 396 HB2 LYS 55 1HB LYS 55 -3.462 -23.092 -4.289 397 HB3 LYS 55 2HB LYS 55 -3.977 -21.852 -3.153 398 HG2 LYS 55 1HG LYS 55 -5.748 -23.156 -2.355 399 HG3 LYS 55 2HG LYS 55 -5.675 -24.253 -3.736 400 HD2 LYS 55 1HD LYS 55 -3.417 -24.973 -2.948 401 HD3 LYS 55 2HD LYS 55 -3.667 -23.995 -1.500 402 HE2 LYS 55 1HE LYS 55 -4.272 -26.194 -0.901 403 HE3 LYS 55 2HE LYS 55 -5.790 -25.328 -1.136 404 HZ1 LYS 55 1HZ LYS 55 -5.353 -27.682 -2.199 405 HZ2 LYS 55 2HZ LYS 55 -4.673 -26.747 -3.433 406 HZ3 LYS 55 3HZ LYS 55 -6.288 -26.514 -2.988 407 H THR 56 H THR 56 -5.859 -19.873 -3.675 408 HA THR 56 HA THR 56 -4.416 -18.018 -5.424 409 HB THR 56 HB THR 56 -5.716 -16.269 -4.066 410 HG1 THR 56 1HG THR 56 -6.907 -17.037 -2.506 411 HG21 THR 56 1HG2 THR 56 -7.946 -17.236 -5.282 412 HG22 THR 56 2HG2 THR 56 -6.683 -18.128 -6.131 413 HG23 THR 56 3HG2 THR 56 -6.658 -16.365 -6.113 414 H PHE 57 H PHE 57 -2.751 -16.778 -4.744 415 HA PHE 57 HA PHE 57 -2.006 -16.924 -1.900 416 HB2 PHE 57 1HB PHE 57 -0.218 -17.220 -4.315 417 HB3 PHE 57 2HB PHE 57 0.398 -16.893 -2.699 418 HD1 PHE 57 1HD PHE 57 -1.605 -19.322 -4.659 419 HD2 PHE 57 2HD PHE 57 0.776 -18.634 -1.199 420 HE1 PHE 57 1HE PHE 57 -1.619 -21.734 -4.174 421 HE2 PHE 57 2HE PHE 57 0.767 -21.045 -0.709 422 HZ PHE 57 HZ PHE 57 -0.431 -22.599 -2.197 423 H THR 58 H THR 58 -0.847 -15.125 -1.071 424 HA THR 58 HA THR 58 -1.559 -12.634 -2.384 425 HB THR 58 HB THR 58 -2.028 -12.751 -0.024 426 HG1 THR 58 1HG THR 58 -1.346 -10.760 0.259 427 HG21 THR 58 1HG2 THR 58 -0.493 -14.395 0.753 428 HG22 THR 58 2HG2 THR 58 -0.101 -12.900 1.602 429 HG23 THR 58 3HG2 THR 58 0.895 -13.433 0.248 430 H ARG 59 H ARG 59 1.223 -14.610 -1.886 431 HA ARG 59 HA ARG 59 2.907 -12.504 -3.073 432 HB2 ARG 59 1HB ARG 59 3.481 -12.956 -0.696 433 HB3 ARG 59 2HB ARG 59 3.806 -14.631 -1.123 434 HG2 ARG 59 1HG ARG 59 5.544 -13.789 -2.720 435 HG3 ARG 59 2HG ARG 59 5.301 -12.185 -2.025 436 HD2 ARG 59 1HD ARG 59 6.008 -14.607 -0.383 437 HD3 ARG 59 2HD ARG 59 7.217 -13.524 -1.072 438 HE ARG 59 HE ARG 59 5.196 -12.230 0.537 439 HH11 ARG 59 2HH1 ARG 59 8.335 -13.734 0.474 440 HH12 ARG 59 1HH1 ARG 59 8.885 -12.948 1.916 441 HH21 ARG 59 2HH2 ARG 59 5.908 -11.189 2.437 442 HH22 ARG 59 1HH2 ARG 59 7.503 -11.502 3.033 443 H ARG 60 H ARG 60 4.481 -13.169 -4.574 444 HA ARG 60 HA ARG 60 3.710 -15.420 -6.160 445 HB2 ARG 60 1HB ARG 60 4.554 -13.373 -7.196 446 HB3 ARG 60 2HB ARG 60 6.099 -13.581 -6.383 447 HG2 ARG 60 1HG ARG 60 5.089 -15.745 -8.164 448 HG3 ARG 60 2HG ARG 60 5.801 -14.294 -8.872 449 HD2 ARG 60 1HD ARG 60 7.686 -14.790 -7.083 450 HD3 ARG 60 2HD ARG 60 7.060 -16.431 -7.231 451 HE ARG 60 HE ARG 60 8.654 -15.030 -9.133 452 HH11 ARG 60 2HH1 ARG 60 6.129 -17.405 -8.807 453 HH12 ARG 60 1HH1 ARG 60 6.504 -18.199 -10.301 454 HH21 ARG 60 2HH2 ARG 60 9.157 -16.067 -11.101 455 HH22 ARG 60 1HH2 ARG 60 8.227 -17.437 -11.605 456 H ASN 61 H ASN 61 6.763 -14.600 -4.500 457 HA ASN 61 HA ASN 61 8.169 -16.903 -4.897 458 HB2 ASN 61 1HB ASN 61 8.048 -15.267 -2.354 459 HB3 ASN 61 2HB ASN 61 9.304 -16.440 -2.737 460 HD21 ASN 61 1HD2 ASN 61 7.914 -13.353 -3.573 461 HD22 ASN 61 2HD2 ASN 61 9.274 -12.760 -4.459 462 H THR 62 H THR 62 5.827 -16.311 -2.289 463 HA THR 62 HA THR 62 6.047 -18.754 -0.978 464 HB THR 62 HB THR 62 3.547 -17.083 -1.305 465 HG1 THR 62 1HG THR 62 4.413 -16.519 0.970 466 HG21 THR 62 1HG2 THR 62 4.273 -19.380 0.470 467 HG22 THR 62 2HG2 THR 62 2.770 -19.069 -0.400 468 HG23 THR 62 3HG2 THR 62 3.160 -18.140 1.048 469 H MET 63 H MET 63 3.644 -17.828 -3.452 470 HA MET 63 HA MET 63 2.404 -20.301 -3.701 471 HB2 MET 63 1HB MET 63 1.704 -18.068 -4.710 472 HB3 MET 63 2HB MET 63 2.844 -18.407 -6.006 473 HG2 MET 63 1HG MET 63 0.767 -20.428 -5.311 474 HG3 MET 63 2HG MET 63 0.327 -19.013 -6.264 475 HE1 MET 63 1HE MET 63 1.746 -19.554 -9.662 476 HE2 MET 63 2HE MET 63 0.602 -18.737 -8.597 477 HE3 MET 63 3HE MET 63 2.327 -18.390 -8.472 478 H ALA 64 H ALA 64 5.037 -18.967 -5.703 479 HA ALA 64 HA ALA 64 5.492 -20.990 -7.450 480 HB1 ALA 64 1HB ALA 64 7.839 -20.330 -7.495 481 HB2 ALA 64 2HB ALA 64 6.786 -18.917 -7.413 482 HB3 ALA 64 3HB ALA 64 7.634 -19.468 -5.969 483 H ARG 65 H ARG 65 6.972 -20.807 -4.207 484 HA ARG 65 HA ARG 65 8.251 -23.286 -4.278 485 HB2 ARG 65 1HB ARG 65 7.140 -21.791 -1.896 486 HB3 ARG 65 2HB ARG 65 8.270 -23.135 -1.805 487 HG2 ARG 65 1HG ARG 65 9.871 -21.773 -3.158 488 HG3 ARG 65 2HG ARG 65 8.757 -20.414 -2.989 489 HD2 ARG 65 1HD ARG 65 8.935 -20.652 -0.522 490 HD3 ARG 65 2HD ARG 65 10.154 -21.902 -0.769 491 HE ARG 65 HE ARG 65 10.770 -19.423 -2.082 492 HH11 ARG 65 2HH1 ARG 65 10.974 -21.204 0.903 493 HH12 ARG 65 1HH1 ARG 65 12.340 -20.316 1.491 494 HH21 ARG 65 2HH2 ARG 65 12.569 -18.247 -1.319 495 HH22 ARG 65 1HH2 ARG 65 13.246 -18.633 0.227 496 H HIS 66 H HIS 66 5.063 -22.432 -2.944 497 HA HIS 66 HA HIS 66 4.268 -24.852 -1.939 498 HB2 HIS 66 1HB HIS 66 2.758 -23.120 -1.574 499 HB3 HIS 66 2HB HIS 66 2.763 -22.624 -3.264 500 HD1 HIS 66 1HD HIS 66 1.549 -25.565 -1.179 501 HD2 HIS 66 2HD HIS 66 0.595 -23.477 -4.642 502 HE1 HIS 66 1HE HIS 66 -0.612 -26.563 -1.993 503 H ALA 67 H ALA 67 3.968 -23.753 -5.305 504 HA ALA 67 HA ALA 67 2.638 -25.906 -6.396 505 HB1 ALA 67 1HB ALA 67 2.897 -24.260 -7.941 506 HB2 ALA 67 2HB ALA 67 4.553 -23.905 -7.450 507 HB3 ALA 67 3HB ALA 67 4.214 -25.316 -8.452 508 H ASP 68 H ASP 68 6.082 -25.577 -5.683 509 HA ASP 68 HA ASP 68 7.061 -27.838 -6.951 510 HB2 ASP 68 1HB ASP 68 8.433 -26.084 -5.812 511 HB3 ASP 68 2HB ASP 68 7.976 -26.792 -4.265 512 H ASN 69 H ASN 69 6.007 -27.588 -3.550 513 HA ASN 69 HA ASN 69 6.028 -30.463 -3.263 514 HB2 ASN 69 1HB ASN 69 5.155 -28.274 -1.364 515 HB3 ASN 69 2HB ASN 69 5.248 -29.984 -0.951 516 HD21 ASN 69 1HD2 ASN 69 6.839 -27.108 -0.825 517 HD22 ASN 69 2HD2 ASN 69 8.453 -27.684 -0.606 518 H CYS 70 H CYS 70 3.967 -28.454 -4.754 519 HA CYS 70 HA CYS 70 1.462 -29.433 -3.722 520 HB2 CYS 70 1HB CYS 70 1.587 -27.180 -4.646 521 HB3 CYS 70 2HB CYS 70 2.100 -27.823 -6.202 522 H ALA 71 H ALA 71 0.035 -30.846 -4.730 523 HA ALA 71 HA ALA 71 1.261 -32.583 -6.770 524 HB1 ALA 71 1HB ALA 71 0.792 -34.260 -5.395 525 HB2 ALA 71 2HB ALA 71 -0.046 -33.172 -4.288 526 HB3 ALA 71 3HB ALA 71 -0.924 -33.919 -5.622 527 H GLY 72 H GLY 72 -1.742 -30.997 -5.776 528 HA2 GLY 72 1HA GLY 72 -2.772 -29.978 -7.932 529 HA3 GLY 72 2HA GLY 72 -2.940 -31.670 -8.372 530 HA PRO 73 HA PRO 73 -6.797 -30.268 -6.171 531 HB2 PRO 73 1HB PRO 73 -8.514 -31.191 -8.061 532 HB3 PRO 73 2HB PRO 73 -7.792 -29.578 -8.123 533 HG2 PRO 73 1HG PRO 73 -6.985 -32.072 -9.570 534 HG3 PRO 73 2HG PRO 73 -7.101 -30.411 -10.181 535 HD2 PRO 73 1HD PRO 73 -4.744 -31.544 -9.481 536 HD3 PRO 73 2HD PRO 73 -5.062 -29.807 -9.293 537 H ASP 74 H ASP 74 -7.701 -31.582 -4.714 538 HA ASP 74 HA ASP 74 -7.821 -34.466 -5.303 539 HB2 ASP 74 1HB ASP 74 -7.553 -34.639 -2.697 540 HB3 ASP 74 2HB ASP 74 -6.133 -34.444 -3.721 541 H GLY 75 H GLY 75 -9.875 -32.447 -5.662 542 HA2 GLY 75 1HA GLY 75 -12.074 -32.018 -5.125 543 HA3 GLY 75 2HA GLY 75 -12.123 -33.745 -4.802 544 H VAL 76 H VAL 76 -13.821 -32.897 -3.272 545 HA VAL 76 HA VAL 76 -14.526 -32.198 -1.197 546 HB VAL 76 HB VAL 76 -13.671 -34.485 -0.799 547 HG11 VAL 76 1HG1 VAL 76 -11.147 -33.046 0.010 548 HG12 VAL 76 2HG1 VAL 76 -11.482 -34.750 0.323 549 HG13 VAL 76 3HG1 VAL 76 -11.340 -34.168 -1.336 550 HG21 VAL 76 1HG2 VAL 76 -13.993 -34.376 1.460 551 HG22 VAL 76 2HG2 VAL 76 -12.940 -32.975 1.656 552 HG23 VAL 76 3HG2 VAL 76 -14.567 -32.772 1.006 553 H GLU 77 H GLU 77 -12.921 -30.226 -2.424 554 HA GLU 77 HA GLU 77 -11.780 -28.965 -0.031 555 HB2 GLU 77 1HB GLU 77 -10.042 -29.958 -1.683 556 HB3 GLU 77 2HB GLU 77 -10.480 -28.603 -2.714 557 HG2 GLU 77 1HG GLU 77 -9.993 -27.173 -0.608 558 HG3 GLU 77 2HG GLU 77 -9.104 -28.595 -0.067 559 H GLY 78 H GLY 78 -12.276 -26.847 0.223 560 HA2 GLY 78 1HA GLY 78 -13.478 -25.417 -2.049 561 HA3 GLY 78 2HA GLY 78 -14.375 -25.539 -0.543 562 H GLU 79 H GLU 79 -12.371 -25.166 1.318 563 HA GLU 79 HA GLU 79 -10.678 -22.977 0.797 564 HB2 GLU 79 1HB GLU 79 -11.918 -21.232 2.069 565 HB3 GLU 79 2HB GLU 79 -12.680 -21.668 0.546 566 HG2 GLU 79 1HG GLU 79 -13.531 -22.957 3.106 567 HG3 GLU 79 2HG GLU 79 -14.146 -21.373 2.638 568 H ASN 80 H ASN 80 -9.196 -22.872 2.372 569 HA ASN 80 HA ASN 80 -9.897 -23.887 5.039 570 HB2 ASN 80 1HB ASN 80 -7.737 -25.067 5.158 571 HB3 ASN 80 2HB ASN 80 -8.745 -25.692 3.856 572 HD21 ASN 80 1HD2 ASN 80 -8.216 -25.170 1.703 573 HD22 ASN 80 2HD2 ASN 80 -6.615 -24.682 1.271 574 H SER 81 H SER 81 -7.757 -23.500 6.480 575 HA SER 81 HA SER 81 -7.017 -20.679 6.050 576 HB2 SER 81 1HB SER 81 -6.920 -20.438 8.492 577 HB3 SER 81 2HB SER 81 -8.518 -20.979 7.980 578 HG SER 81 HG SER 81 -7.843 -23.122 8.525 579 H GLY 82 H GLY 82 -5.937 -23.753 7.472 580 HA2 GLY 82 1HA GLY 82 -3.824 -24.714 7.334 581 HA3 GLY 82 2HA GLY 82 -3.250 -23.268 6.517 582 HA PRO 83 HA PRO 83 -2.595 -23.249 11.338 583 HB2 PRO 83 1HB PRO 83 -0.762 -25.193 11.819 584 HB3 PRO 83 2HB PRO 83 -2.504 -25.464 11.945 585 HG2 PRO 83 1HG PRO 83 -0.639 -26.137 9.702 586 HG3 PRO 83 2HG PRO 83 -1.949 -27.109 10.399 587 HD2 PRO 83 1HD PRO 83 -2.233 -25.723 8.090 588 HD3 PRO 83 2HD PRO 83 -3.579 -25.989 9.216 589 H SER 84 H SER 84 -0.647 -22.493 12.398 590 HA SER 84 HA SER 84 1.483 -21.770 10.493 591 HB2 SER 84 1HB SER 84 0.530 -20.127 12.850 592 HB3 SER 84 2HB SER 84 1.748 -19.657 11.664 593 HG SER 84 HG SER 84 -0.758 -20.390 10.697 594 H SER 85 H SER 85 2.885 -23.418 11.024 595 HA SER 85 HA SER 85 4.301 -23.079 13.534 596 HB2 SER 85 1HB SER 85 2.698 -25.513 12.858 597 HB3 SER 85 2HB SER 85 4.217 -25.712 13.732 598 HG SER 85 HG SER 85 3.423 -24.397 15.359 599 H GLY 86 H GLY 86 6.426 -23.813 13.474 600 HA2 GLY 86 1HA GLY 86 7.776 -25.529 11.968 601 HA3 GLY 86 2HA GLY 86 7.447 -24.276 10.780 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -10.261 -13.788 -13.657 2 HA2 GLY 1 1HA GLY 1 -9.856 -11.694 -15.637 3 HA3 GLY 1 2HA GLY 1 -9.655 -13.341 -16.217 4 H SER 2 H SER 2 -11.390 -14.115 -17.193 5 HA SER 2 HA SER 2 -13.821 -12.971 -17.489 6 HB2 SER 2 1HB SER 2 -12.954 -15.834 -17.516 7 HB3 SER 2 2HB SER 2 -14.674 -15.467 -17.647 8 HG SER 2 HG SER 2 -13.499 -13.836 -19.302 9 H SER 3 H SER 3 -15.338 -12.327 -16.127 10 HA SER 3 HA SER 3 -15.488 -13.491 -13.462 11 HB2 SER 3 1HB SER 3 -16.652 -11.027 -14.740 12 HB3 SER 3 2HB SER 3 -17.242 -11.609 -13.183 13 HG SER 3 HG SER 3 -14.494 -11.173 -13.677 14 H GLY 4 H GLY 4 -16.385 -15.530 -14.014 15 HA2 GLY 4 1HA GLY 4 -18.689 -15.962 -15.524 16 HA3 GLY 4 2HA GLY 4 -18.121 -17.013 -14.235 17 H SER 5 H SER 5 -18.381 -15.350 -12.040 18 HA SER 5 HA SER 5 -20.918 -15.764 -11.161 19 HB2 SER 5 1HB SER 5 -18.782 -14.742 -9.979 20 HB3 SER 5 2HB SER 5 -19.606 -13.217 -10.306 21 HG SER 5 HG SER 5 -20.374 -13.840 -8.366 22 H SER 6 H SER 6 -22.763 -14.393 -10.825 23 HA SER 6 HA SER 6 -23.400 -12.855 -13.182 24 HB2 SER 6 1HB SER 6 -24.925 -14.469 -11.736 25 HB3 SER 6 2HB SER 6 -25.241 -12.989 -10.831 26 HG SER 6 HG SER 6 -26.579 -12.503 -12.361 27 H GLY 7 H GLY 7 -21.363 -11.573 -11.931 28 HA2 GLY 7 1HA GLY 7 -21.150 -9.178 -11.763 29 HA3 GLY 7 2HA GLY 7 -22.705 -9.142 -10.946 30 H ARG 8 H ARG 8 -20.565 -7.809 -9.879 31 HA ARG 8 HA ARG 8 -19.635 -9.523 -7.679 32 HB2 ARG 8 1HB ARG 8 -18.538 -7.091 -9.012 33 HB3 ARG 8 2HB ARG 8 -18.173 -7.337 -7.309 34 HG2 ARG 8 1HG ARG 8 -17.241 -9.546 -7.846 35 HG3 ARG 8 2HG ARG 8 -17.564 -9.247 -9.555 36 HD2 ARG 8 1HD ARG 8 -15.947 -7.292 -7.976 37 HD3 ARG 8 2HD ARG 8 -15.198 -8.773 -8.569 38 HE ARG 8 HE ARG 8 -16.626 -7.317 -10.592 39 HH11 ARG 8 2HH1 ARG 8 -13.598 -7.648 -8.906 40 HH12 ARG 8 1HH1 ARG 8 -12.661 -6.944 -10.182 41 HH21 ARG 8 2HH2 ARG 8 -15.403 -6.389 -12.279 42 HH22 ARG 8 1HH2 ARG 8 -13.689 -6.228 -12.100 43 H THR 9 H THR 9 -22.285 -8.704 -7.591 44 HA THR 9 HA THR 9 -22.362 -6.455 -5.718 45 HB THR 9 HB THR 9 -24.674 -7.974 -6.940 46 HG1 THR 9 1HG THR 9 -23.292 -6.714 -8.418 47 HG21 THR 9 1HG2 THR 9 -25.692 -5.590 -6.296 48 HG22 THR 9 2HG2 THR 9 -24.448 -5.698 -5.051 49 HG23 THR 9 3HG2 THR 9 -25.684 -6.949 -5.173 50 H HIS 10 H HIS 10 -21.822 -7.123 -3.718 51 HA HIS 10 HA HIS 10 -23.124 -9.547 -2.672 52 HB2 HIS 10 1HB HIS 10 -21.302 -9.358 -0.876 53 HB3 HIS 10 2HB HIS 10 -20.797 -9.859 -2.488 54 HD1 HIS 10 1HD HIS 10 -18.412 -8.995 -2.280 55 HD2 HIS 10 2HD HIS 10 -21.287 -6.070 -1.611 56 HE1 HIS 10 1HE HIS 10 -17.159 -6.815 -2.248 57 H THR 11 H THR 11 -23.673 -9.478 -0.333 58 HA THR 11 HA THR 11 -25.141 -7.047 0.230 59 HB THR 11 HB THR 11 -24.989 -9.564 1.897 60 HG1 THR 11 1HG THR 11 -26.821 -10.215 0.770 61 HG21 THR 11 1HG2 THR 11 -26.240 -8.423 3.344 62 HG22 THR 11 2HG2 THR 11 -27.485 -8.276 2.104 63 HG23 THR 11 3HG2 THR 11 -26.259 -7.021 2.276 64 H GLY 12 H GLY 12 -24.716 -5.581 1.803 65 HA2 GLY 12 1HA GLY 12 -23.389 -5.773 4.146 66 HA3 GLY 12 2HA GLY 12 -22.076 -5.643 2.986 67 H GLU 13 H GLU 13 -21.904 -3.706 4.617 68 HA GLU 13 HA GLU 13 -23.178 -1.403 3.297 69 HB2 GLU 13 1HB GLU 13 -22.880 -1.995 6.220 70 HB3 GLU 13 2HB GLU 13 -22.912 -0.327 5.666 71 HG2 GLU 13 1HG GLU 13 -25.119 -0.644 6.108 72 HG3 GLU 13 2HG GLU 13 -25.076 -1.122 4.412 73 H LYS 14 H LYS 14 -21.838 0.171 2.655 74 HA LYS 14 HA LYS 14 -19.098 0.203 3.725 75 HB2 LYS 14 1HB LYS 14 -19.949 0.334 0.832 76 HB3 LYS 14 2HB LYS 14 -18.350 0.817 1.383 77 HG2 LYS 14 1HG LYS 14 -17.708 -1.333 1.848 78 HG3 LYS 14 2HG LYS 14 -19.364 -1.888 2.105 79 HD2 LYS 14 1HD LYS 14 -19.807 -1.895 -0.237 80 HD3 LYS 14 2HD LYS 14 -18.292 -1.058 -0.586 81 HE2 LYS 14 1HE LYS 14 -18.059 -3.398 -1.123 82 HE3 LYS 14 2HE LYS 14 -17.055 -3.015 0.275 83 HZ1 LYS 14 1HZ LYS 14 -19.334 -3.765 1.451 84 HZ2 LYS 14 2HZ LYS 14 -18.045 -4.814 1.140 85 HZ3 LYS 14 3HZ LYS 14 -19.361 -4.753 0.078 86 HA PRO 15 HA PRO 15 -20.553 4.428 4.324 87 HB2 PRO 15 1HB PRO 15 -18.552 5.107 6.029 88 HB3 PRO 15 2HB PRO 15 -19.977 4.194 6.536 89 HG2 PRO 15 1HG PRO 15 -17.236 3.203 5.854 90 HG3 PRO 15 2HG PRO 15 -18.299 2.723 7.189 91 HD2 PRO 15 1HD PRO 15 -18.039 1.249 4.933 92 HD3 PRO 15 2HD PRO 15 -19.554 1.325 5.854 93 H TYR 16 H TYR 16 -17.347 3.312 3.420 94 HA TYR 16 HA TYR 16 -16.503 5.931 2.524 95 HB2 TYR 16 1HB TYR 16 -15.165 3.242 2.157 96 HB3 TYR 16 2HB TYR 16 -14.432 4.815 1.864 97 HD1 TYR 16 2HD TYR 16 -15.759 2.583 4.498 98 HD2 TYR 16 1HD TYR 16 -13.482 6.072 3.636 99 HE1 TYR 16 2HE TYR 16 -14.995 2.655 6.835 100 HE2 TYR 16 1HE TYR 16 -12.711 6.153 5.970 101 HH TYR 16 HH TYR 16 -12.443 4.227 7.887 102 H ALA 17 H ALA 17 -17.660 6.627 0.806 103 HA ALA 17 HA ALA 17 -17.898 4.832 -1.515 104 HB1 ALA 17 1HB ALA 17 -19.665 6.449 -2.271 105 HB2 ALA 17 2HB ALA 17 -20.049 5.547 -0.804 106 HB3 ALA 17 3HB ALA 17 -19.525 7.228 -0.695 107 H CYS 18 H CYS 18 -16.647 5.217 -3.213 108 HA CYS 18 HA CYS 18 -14.815 7.354 -3.319 109 HB2 CYS 18 1HB CYS 18 -14.743 5.029 -4.477 110 HB3 CYS 18 2HB CYS 18 -15.662 5.814 -5.757 111 H SER 19 H SER 19 -14.721 9.178 -4.641 112 HA SER 19 HA SER 19 -17.320 10.294 -5.305 113 HB2 SER 19 1HB SER 19 -15.339 11.490 -4.081 114 HB3 SER 19 2HB SER 19 -14.727 11.748 -5.714 115 HG SER 19 HG SER 19 -16.009 13.491 -5.137 116 H HIS 20 H HIS 20 -14.186 9.869 -6.948 117 HA HIS 20 HA HIS 20 -14.863 10.729 -9.469 118 HB2 HIS 20 1HB HIS 20 -13.007 8.520 -8.591 119 HB3 HIS 20 2HB HIS 20 -13.149 9.017 -10.275 120 HD1 HIS 20 1HD HIS 20 -12.903 11.167 -7.146 121 HD2 HIS 20 2HD HIS 20 -10.898 10.455 -10.715 122 HE1 HIS 20 1HE HIS 20 -11.030 12.844 -7.211 123 H CYS 21 H CYS 21 -15.438 7.554 -8.023 124 HA CYS 21 HA CYS 21 -17.252 6.955 -10.266 125 HB2 CYS 21 1HB CYS 21 -16.648 4.604 -10.110 126 HB3 CYS 21 2HB CYS 21 -15.204 5.573 -10.384 127 H ASP 22 H ASP 22 -18.701 4.971 -9.550 128 HA ASP 22 HA ASP 22 -19.977 5.816 -7.056 129 HB2 ASP 22 1HB ASP 22 -21.235 5.608 -9.283 130 HB3 ASP 22 2HB ASP 22 -21.110 3.866 -9.054 131 H LYS 23 H LYS 23 -17.598 4.344 -6.804 132 HA LYS 23 HA LYS 23 -18.445 1.638 -6.082 133 HB2 LYS 23 1HB LYS 23 -15.726 2.936 -6.279 134 HB3 LYS 23 2HB LYS 23 -15.973 1.311 -5.652 135 HG2 LYS 23 1HG LYS 23 -17.112 1.945 -8.315 136 HG3 LYS 23 2HG LYS 23 -15.361 1.770 -8.184 137 HD2 LYS 23 1HD LYS 23 -16.142 -0.380 -8.711 138 HD3 LYS 23 2HD LYS 23 -15.842 -0.425 -6.972 139 HE2 LYS 23 1HE LYS 23 -18.083 -0.468 -6.451 140 HE3 LYS 23 2HE LYS 23 -18.557 0.319 -7.956 141 HZ1 LYS 23 1HZ LYS 23 -17.417 -2.407 -7.938 142 HZ2 LYS 23 2HZ LYS 23 -18.335 -1.656 -9.143 143 HZ3 LYS 23 3HZ LYS 23 -19.072 -2.143 -7.701 144 H THR 24 H THR 24 -17.965 0.761 -3.994 145 HA THR 24 HA THR 24 -17.549 2.749 -1.871 146 HB THR 24 HB THR 24 -19.288 1.658 -0.493 147 HG1 THR 24 1HG THR 24 -20.329 -0.059 -1.206 148 HG21 THR 24 1HG2 THR 24 -21.210 2.306 -2.317 149 HG22 THR 24 2HG2 THR 24 -19.807 3.159 -2.961 150 HG23 THR 24 3HG2 THR 24 -20.347 3.468 -1.311 151 H PHE 25 H PHE 25 -16.851 1.833 0.171 152 HA PHE 25 HA PHE 25 -15.937 -0.923 0.155 153 HB2 PHE 25 1HB PHE 25 -13.918 1.246 0.697 154 HB3 PHE 25 2HB PHE 25 -13.632 -0.472 0.440 155 HD1 PHE 25 1HD PHE 25 -14.793 2.611 -1.267 156 HD2 PHE 25 2HD PHE 25 -13.123 -1.282 -1.680 157 HE1 PHE 25 1HE PHE 25 -14.386 3.042 -3.655 158 HE2 PHE 25 2HE PHE 25 -12.712 -0.857 -4.068 159 HZ PHE 25 HZ PHE 25 -13.343 1.308 -5.058 160 H ARG 26 H ARG 26 -15.210 -1.654 2.249 161 HA ARG 26 HA ARG 26 -16.715 -0.450 4.376 162 HB2 ARG 26 1HB ARG 26 -14.780 -2.773 4.436 163 HB3 ARG 26 2HB ARG 26 -15.882 -2.325 5.730 164 HG2 ARG 26 1HG ARG 26 -17.778 -2.925 4.450 165 HG3 ARG 26 2HG ARG 26 -16.820 -3.068 2.975 166 HD2 ARG 26 1HD ARG 26 -15.534 -4.903 4.190 167 HD3 ARG 26 2HD ARG 26 -16.836 -4.871 5.379 168 HE ARG 26 HE ARG 26 -16.920 -6.034 2.774 169 HH11 ARG 26 2HH1 ARG 26 -18.846 -4.481 5.222 170 HH12 ARG 26 1HH1 ARG 26 -20.326 -5.224 4.714 171 HH21 ARG 26 2HH2 ARG 26 -18.862 -7.019 2.095 172 HH22 ARG 26 1HH2 ARG 26 -20.334 -6.668 2.935 173 H GLN 27 H GLN 27 -13.250 -1.223 3.999 174 HA GLN 27 HA GLN 27 -12.636 0.774 6.052 175 HB2 GLN 27 1HB GLN 27 -10.984 -1.435 4.827 176 HB3 GLN 27 2HB GLN 27 -10.334 -0.247 5.949 177 HG2 GLN 27 1HG GLN 27 -12.671 -2.006 6.624 178 HG3 GLN 27 2HG GLN 27 -10.998 -2.477 6.922 179 HE21 GLN 27 1HE2 GLN 27 -11.353 -2.554 9.146 180 HE22 GLN 27 2HE2 GLN 27 -11.505 -1.121 10.098 181 H LYS 28 H LYS 28 -11.577 2.623 5.624 182 HA LYS 28 HA LYS 28 -11.550 3.833 3.189 183 HB2 LYS 28 1HB LYS 28 -9.786 5.335 4.074 184 HB3 LYS 28 2HB LYS 28 -11.098 5.070 5.215 185 HG2 LYS 28 1HG LYS 28 -9.755 3.526 6.479 186 HG3 LYS 28 2HG LYS 28 -8.459 3.621 5.284 187 HD2 LYS 28 1HD LYS 28 -7.922 5.824 5.878 188 HD3 LYS 28 2HD LYS 28 -9.456 6.065 6.716 189 HE2 LYS 28 1HE LYS 28 -7.336 4.121 7.614 190 HE3 LYS 28 2HE LYS 28 -7.467 5.774 8.212 191 HZ1 LYS 28 1HZ LYS 28 -9.325 3.517 8.612 192 HZ2 LYS 28 2HZ LYS 28 -9.857 5.113 8.784 193 HZ3 LYS 28 3HZ LYS 28 -8.615 4.525 9.771 194 H GLN 29 H GLN 29 -8.976 1.830 4.563 195 HA GLN 29 HA GLN 29 -6.929 2.177 2.813 196 HB2 GLN 29 1HB GLN 29 -6.812 0.631 4.697 197 HB3 GLN 29 2HB GLN 29 -7.933 -0.461 3.894 198 HG2 GLN 29 1HG GLN 29 -6.207 -0.585 2.024 199 HG3 GLN 29 2HG GLN 29 -5.096 0.170 3.166 200 HE21 GLN 29 1HE2 GLN 29 -4.632 -2.330 2.083 201 HE22 GLN 29 2HE2 GLN 29 -4.744 -3.518 3.333 202 H LEU 30 H LEU 30 -9.729 0.046 2.301 203 HA LEU 30 HA LEU 30 -8.985 -0.944 -0.203 204 HB2 LEU 30 1HB LEU 30 -11.608 -0.575 1.184 205 HB3 LEU 30 2HB LEU 30 -11.562 -1.133 -0.487 206 HG LEU 30 HG LEU 30 -11.786 -3.037 0.939 207 HD11 LEU 30 1HD1 LEU 30 -10.243 -3.176 -1.021 208 HD12 LEU 30 2HD1 LEU 30 -9.914 -4.346 0.257 209 HD13 LEU 30 3HD1 LEU 30 -8.899 -2.913 0.091 210 HD21 LEU 30 1HD2 LEU 30 -9.889 -3.530 2.578 211 HD22 LEU 30 2HD2 LEU 30 -11.074 -2.310 3.047 212 HD23 LEU 30 3HD2 LEU 30 -9.492 -1.817 2.442 213 H LEU 31 H LEU 31 -11.188 1.756 0.554 214 HA LEU 31 HA LEU 31 -11.605 2.568 -2.097 215 HB2 LEU 31 1HB LEU 31 -13.121 3.399 -0.542 216 HB3 LEU 31 2HB LEU 31 -11.849 3.928 0.557 217 HG LEU 31 HG LEU 31 -11.295 5.754 -1.005 218 HD11 LEU 31 1HD1 LEU 31 -13.500 6.018 -2.613 219 HD12 LEU 31 2HD1 LEU 31 -13.162 4.290 -2.697 220 HD13 LEU 31 3HD1 LEU 31 -11.910 5.455 -3.129 221 HD21 LEU 31 1HD2 LEU 31 -13.003 7.158 -0.307 222 HD22 LEU 31 2HD2 LEU 31 -13.068 5.851 0.874 223 HD23 LEU 31 3HD2 LEU 31 -14.233 5.902 -0.450 224 H ASP 32 H ASP 32 -8.982 3.131 0.101 225 HA ASP 32 HA ASP 32 -7.873 5.375 -1.282 226 HB2 ASP 32 1HB ASP 32 -7.472 4.681 1.159 227 HB3 ASP 32 2HB ASP 32 -6.333 3.505 0.509 228 H MET 33 H MET 33 -7.018 1.921 -1.118 229 HA MET 33 HA MET 33 -4.948 2.111 -3.055 230 HB2 MET 33 1HB MET 33 -4.976 -0.335 -3.036 231 HB3 MET 33 2HB MET 33 -5.015 0.307 -1.399 232 HG2 MET 33 1HG MET 33 -7.222 -0.311 -1.070 233 HG3 MET 33 2HG MET 33 -7.549 -0.430 -2.797 234 HE1 MET 33 1HE MET 33 -8.056 -2.262 -3.747 235 HE2 MET 33 2HE MET 33 -7.439 -3.901 -3.535 236 HE3 MET 33 3HE MET 33 -8.650 -3.264 -2.422 237 H HIS 34 H HIS 34 -8.388 1.554 -3.214 238 HA HIS 34 HA HIS 34 -8.568 0.448 -5.781 239 HB2 HIS 34 1HB HIS 34 -10.590 0.316 -4.715 240 HB3 HIS 34 2HB HIS 34 -10.418 1.897 -3.960 241 HD1 HIS 34 1HD HIS 34 -11.697 0.217 -7.030 242 HD2 HIS 34 2HD HIS 34 -11.350 4.063 -5.497 243 HE1 HIS 34 1HE HIS 34 -13.136 1.661 -8.503 244 H PHE 35 H PHE 35 -8.579 3.830 -4.715 245 HA PHE 35 HA PHE 35 -8.998 4.971 -7.257 246 HB2 PHE 35 1HB PHE 35 -9.257 6.145 -5.048 247 HB3 PHE 35 2HB PHE 35 -7.501 6.222 -4.948 248 HD1 PHE 35 2HD PHE 35 -6.355 7.242 -7.120 249 HD2 PHE 35 1HD PHE 35 -10.362 7.968 -5.882 250 HE1 PHE 35 2HE PHE 35 -6.373 9.333 -8.417 251 HE2 PHE 35 1HE PHE 35 -10.387 10.059 -7.178 252 HZ PHE 35 HZ PHE 35 -8.391 10.745 -8.447 253 H LYS 36 H LYS 36 -5.979 4.704 -5.375 254 HA LYS 36 HA LYS 36 -4.290 5.556 -7.461 255 HB2 LYS 36 1HB LYS 36 -3.894 4.144 -4.859 256 HB3 LYS 36 2HB LYS 36 -2.562 4.176 -6.007 257 HG2 LYS 36 1HG LYS 36 -3.952 6.714 -5.275 258 HG3 LYS 36 2HG LYS 36 -2.751 6.014 -4.186 259 HD2 LYS 36 1HD LYS 36 -1.206 5.924 -6.210 260 HD3 LYS 36 2HD LYS 36 -2.379 6.969 -7.014 261 HE2 LYS 36 1HE LYS 36 -2.033 8.713 -5.463 262 HE3 LYS 36 2HE LYS 36 -1.180 7.652 -4.343 263 HZ1 LYS 36 1HZ LYS 36 0.069 9.295 -5.984 264 HZ2 LYS 36 2HZ LYS 36 -0.032 7.950 -7.005 265 HZ3 LYS 36 3HZ LYS 36 0.736 7.816 -5.504 266 H ARG 37 H ARG 37 -6.079 2.767 -7.213 267 HA ARG 37 HA ARG 37 -4.164 1.111 -8.679 268 HB2 ARG 37 1HB ARG 37 -5.261 -0.027 -6.873 269 HB3 ARG 37 2HB ARG 37 -6.844 0.497 -7.432 270 HG2 ARG 37 1HG ARG 37 -6.572 -0.875 -9.448 271 HG3 ARG 37 2HG ARG 37 -5.006 -1.423 -8.846 272 HD2 ARG 37 1HD ARG 37 -5.959 -2.644 -7.113 273 HD3 ARG 37 2HD ARG 37 -7.471 -1.739 -7.179 274 HE ARG 37 HE ARG 37 -7.193 -3.068 -9.605 275 HH11 ARG 37 2HH1 ARG 37 -7.583 -3.850 -6.235 276 HH12 ARG 37 1HH1 ARG 37 -8.408 -5.342 -6.542 277 HH21 ARG 37 2HH2 ARG 37 -8.278 -5.031 -10.022 278 HH22 ARG 37 1HH2 ARG 37 -8.802 -6.013 -8.697 279 H TYR 38 H TYR 38 -7.643 1.860 -8.966 280 HA TYR 38 HA TYR 38 -7.673 1.207 -11.753 281 HB2 TYR 38 1HB TYR 38 -9.684 2.345 -9.834 282 HB3 TYR 38 2HB TYR 38 -10.017 2.312 -11.562 283 HD1 TYR 38 1HD TYR 38 -8.725 -0.023 -8.936 284 HD2 TYR 38 2HD TYR 38 -11.236 0.518 -12.327 285 HE1 TYR 38 1HE TYR 38 -9.484 -2.354 -8.738 286 HE2 TYR 38 2HE TYR 38 -12.003 -1.812 -12.138 287 HH TYR 38 HH TYR 38 -10.957 -4.014 -11.105 288 H HIS 39 H HIS 39 -8.551 4.262 -10.135 289 HA HIS 39 HA HIS 39 -8.436 5.878 -12.385 290 HB2 HIS 39 1HB HIS 39 -7.853 6.619 -9.511 291 HB3 HIS 39 2HB HIS 39 -8.175 7.771 -10.804 292 HD1 HIS 39 1HD HIS 39 -10.624 6.740 -12.123 293 HD2 HIS 39 2HD HIS 39 -10.090 6.525 -8.009 294 HE1 HIS 39 1HE HIS 39 -12.936 6.545 -11.154 295 H ASP 40 H ASP 40 -5.882 4.441 -10.629 296 HA ASP 40 HA ASP 40 -3.940 5.929 -12.253 297 HB2 ASP 40 1HB ASP 40 -3.612 5.286 -9.314 298 HB3 ASP 40 2HB ASP 40 -2.383 6.013 -10.346 299 HA PRO 41 HA PRO 41 -2.929 1.678 -13.189 300 HB2 PRO 41 1HB PRO 41 -1.076 2.270 -15.083 301 HB3 PRO 41 2HB PRO 41 -2.816 2.341 -15.386 302 HG2 PRO 41 1HG PRO 41 -0.910 4.562 -14.754 303 HG3 PRO 41 2HG PRO 41 -2.216 4.515 -15.953 304 HD2 PRO 41 1HD PRO 41 -2.486 5.736 -13.552 305 HD3 PRO 41 2HD PRO 41 -3.845 4.950 -14.382 306 H ASN 42 H ASN 42 -1.261 3.877 -11.425 307 HA ASN 42 HA ASN 42 1.378 2.789 -11.509 308 HB2 ASN 42 1HB ASN 42 0.122 4.439 -9.307 309 HB3 ASN 42 2HB ASN 42 1.841 4.228 -9.623 310 HD21 ASN 42 1HD2 ASN 42 2.416 4.810 -11.990 311 HD22 ASN 42 2HD2 ASN 42 1.786 6.322 -12.541 312 H PHE 43 H PHE 43 -1.000 2.796 -8.847 313 HA PHE 43 HA PHE 43 0.287 0.737 -7.407 314 HB2 PHE 43 1HB PHE 43 -1.352 2.444 -6.495 315 HB3 PHE 43 2HB PHE 43 -2.635 1.469 -7.204 316 HD1 PHE 43 1HD PHE 43 -2.361 -1.151 -6.588 317 HD2 PHE 43 2HD PHE 43 -0.969 2.133 -4.265 318 HE1 PHE 43 1HE PHE 43 -2.403 -2.562 -4.573 319 HE2 PHE 43 2HE PHE 43 -1.008 0.727 -2.247 320 HZ PHE 43 HZ PHE 43 -1.725 -1.625 -2.399 321 H VAL 44 H VAL 44 0.098 -1.429 -7.451 322 HA VAL 44 HA VAL 44 -2.081 -2.676 -8.936 323 HB VAL 44 HB VAL 44 -0.397 -2.429 -10.652 324 HG11 VAL 44 1HG1 VAL 44 1.504 -2.252 -8.978 325 HG12 VAL 44 2HG1 VAL 44 1.519 -4.016 -8.965 326 HG13 VAL 44 3HG1 VAL 44 1.840 -3.142 -10.463 327 HG21 VAL 44 1HG2 VAL 44 0.106 -4.904 -11.060 328 HG22 VAL 44 2HG2 VAL 44 -0.756 -5.200 -9.550 329 HG23 VAL 44 3HG2 VAL 44 -1.587 -4.433 -10.903 330 HA PRO 45 HA PRO 45 -1.610 -5.202 -5.275 331 HB2 PRO 45 1HB PRO 45 -3.822 -6.710 -5.726 332 HB3 PRO 45 2HB PRO 45 -3.894 -5.071 -5.067 333 HG2 PRO 45 1HG PRO 45 -4.335 -6.005 -7.877 334 HG3 PRO 45 2HG PRO 45 -5.256 -4.818 -6.935 335 HD2 PRO 45 1HD PRO 45 -3.415 -4.097 -8.784 336 HD3 PRO 45 2HD PRO 45 -3.730 -3.136 -7.326 337 H ALA 46 H ALA 46 -0.444 -7.003 -5.015 338 HA ALA 46 HA ALA 46 0.347 -8.571 -7.271 339 HB1 ALA 46 1HB ALA 46 1.150 -9.922 -4.965 340 HB2 ALA 46 2HB ALA 46 2.108 -8.805 -5.937 341 HB3 ALA 46 3HB ALA 46 1.204 -8.210 -4.545 342 H ALA 47 H ALA 47 -1.043 -9.960 -8.163 343 HA ALA 47 HA ALA 47 -2.574 -11.732 -6.370 344 HB1 ALA 47 1HB ALA 47 -3.914 -10.078 -7.732 345 HB2 ALA 47 2HB ALA 47 -3.410 -10.982 -9.161 346 HB3 ALA 47 3HB ALA 47 -4.368 -11.774 -7.909 347 H PHE 48 H PHE 48 -1.499 -13.608 -6.324 348 HA PHE 48 HA PHE 48 -0.713 -14.799 -8.902 349 HB2 PHE 48 1HB PHE 48 0.688 -15.125 -6.240 350 HB3 PHE 48 2HB PHE 48 1.146 -15.915 -7.746 351 HD1 PHE 48 2HD PHE 48 0.770 -12.591 -6.149 352 HD2 PHE 48 1HD PHE 48 2.590 -14.871 -9.247 353 HE1 PHE 48 2HE PHE 48 2.206 -10.674 -6.710 354 HE2 PHE 48 1HE PHE 48 4.030 -12.958 -9.813 355 HZ PHE 48 HZ PHE 48 3.838 -10.856 -8.545 356 H VAL 49 H VAL 49 -2.114 -16.365 -9.348 357 HA VAL 49 HA VAL 49 -3.191 -17.990 -7.151 358 HB VAL 49 HB VAL 49 -4.169 -17.448 -9.941 359 HG11 VAL 49 1HG1 VAL 49 -4.317 -19.862 -9.598 360 HG12 VAL 49 2HG1 VAL 49 -5.175 -19.597 -8.078 361 HG13 VAL 49 3HG1 VAL 49 -5.917 -19.120 -9.606 362 HG21 VAL 49 1HG2 VAL 49 -6.264 -16.916 -8.667 363 HG22 VAL 49 2HG2 VAL 49 -5.335 -17.121 -7.182 364 HG23 VAL 49 3HG2 VAL 49 -4.898 -15.852 -8.327 365 H CYS 50 H CYS 50 -3.104 -20.232 -7.191 366 HA CYS 50 HA CYS 50 -0.811 -21.356 -8.465 367 HB2 CYS 50 1HB CYS 50 -1.856 -21.997 -6.196 368 HB3 CYS 50 2HB CYS 50 -2.992 -22.954 -7.142 369 H SER 51 H SER 51 -0.691 -22.881 -10.096 370 HA SER 51 HA SER 51 -3.015 -22.947 -11.877 371 HB2 SER 51 1HB SER 51 -0.070 -23.176 -12.261 372 HB3 SER 51 2HB SER 51 -1.108 -24.043 -13.392 373 HG SER 51 HG SER 51 -1.893 -22.181 -14.132 374 H LYS 52 H LYS 52 -1.537 -24.841 -9.565 375 HA LYS 52 HA LYS 52 -2.061 -27.399 -10.828 376 HB2 LYS 52 1HB LYS 52 -1.068 -26.654 -8.073 377 HB3 LYS 52 2HB LYS 52 -1.311 -28.313 -8.607 378 HG2 LYS 52 1HG LYS 52 0.273 -27.692 -10.539 379 HG3 LYS 52 2HG LYS 52 0.717 -26.316 -9.527 380 HD2 LYS 52 1HD LYS 52 1.517 -27.719 -7.803 381 HD3 LYS 52 2HD LYS 52 0.762 -29.148 -8.512 382 HE2 LYS 52 1HE LYS 52 2.857 -27.608 -10.003 383 HE3 LYS 52 2HE LYS 52 3.307 -28.810 -8.794 384 HZ1 LYS 52 1HZ LYS 52 1.975 -29.192 -11.385 385 HZ2 LYS 52 2HZ LYS 52 1.684 -30.299 -10.139 386 HZ3 LYS 52 3HZ LYS 52 3.261 -30.054 -10.702 387 H CYS 53 H CYS 53 -3.232 -25.649 -7.952 388 HA CYS 53 HA CYS 53 -5.650 -27.328 -8.020 389 HB2 CYS 53 1HB CYS 53 -5.947 -26.703 -5.646 390 HB3 CYS 53 2HB CYS 53 -4.418 -27.527 -5.930 391 H GLY 54 H GLY 54 -4.522 -23.999 -7.487 392 HA2 GLY 54 1HA GLY 54 -5.700 -22.251 -8.762 393 HA3 GLY 54 2HA GLY 54 -7.194 -23.080 -8.353 394 H LYS 55 H LYS 55 -4.562 -22.601 -6.089 395 HA LYS 55 HA LYS 55 -6.363 -21.172 -4.320 396 HB2 LYS 55 1HB LYS 55 -3.715 -22.509 -4.051 397 HB3 LYS 55 2HB LYS 55 -4.104 -21.231 -2.907 398 HG2 LYS 55 1HG LYS 55 -5.908 -22.409 -2.018 399 HG3 LYS 55 2HG LYS 55 -5.999 -23.496 -3.405 400 HD2 LYS 55 1HD LYS 55 -3.922 -24.553 -2.761 401 HD3 LYS 55 2HD LYS 55 -3.713 -23.404 -1.437 402 HE2 LYS 55 1HE LYS 55 -6.140 -25.159 -1.626 403 HE3 LYS 55 2HE LYS 55 -4.645 -25.735 -0.891 404 HZ1 LYS 55 1HZ LYS 55 -5.099 -23.279 0.243 405 HZ2 LYS 55 2HZ LYS 55 -5.350 -24.785 0.970 406 HZ3 LYS 55 3HZ LYS 55 -6.628 -24.001 0.187 407 H THR 56 H THR 56 -6.103 -19.084 -3.595 408 HA THR 56 HA THR 56 -4.503 -17.362 -5.316 409 HB THR 56 HB THR 56 -5.706 -15.518 -3.994 410 HG1 THR 56 1HG THR 56 -7.620 -17.476 -3.371 411 HG21 THR 56 1HG2 THR 56 -6.499 -15.785 -6.150 412 HG22 THR 56 2HG2 THR 56 -7.942 -16.142 -5.202 413 HG23 THR 56 3HG2 THR 56 -6.982 -17.458 -5.876 414 H PHE 57 H PHE 57 -2.774 -16.192 -4.672 415 HA PHE 57 HA PHE 57 -2.031 -16.290 -1.826 416 HB2 PHE 57 1HB PHE 57 -0.244 -16.757 -4.218 417 HB3 PHE 57 2HB PHE 57 0.362 -16.466 -2.591 418 HD1 PHE 57 1HD PHE 57 -1.868 -18.735 -4.514 419 HD2 PHE 57 2HD PHE 57 0.682 -18.241 -1.141 420 HE1 PHE 57 1HE PHE 57 -2.063 -21.138 -4.018 421 HE2 PHE 57 2HE PHE 57 0.491 -20.642 -0.640 422 HZ PHE 57 HZ PHE 57 -0.882 -22.094 -2.080 423 H THR 58 H THR 58 -1.223 -14.442 -0.960 424 HA THR 58 HA THR 58 -1.667 -12.003 -2.362 425 HB THR 58 HB THR 58 -2.039 -11.973 -0.008 426 HG1 THR 58 1HG THR 58 -0.279 -10.376 0.607 427 HG21 THR 58 1HG2 THR 58 0.661 -12.243 0.983 428 HG22 THR 58 2HG2 THR 58 0.156 -13.694 0.118 429 HG23 THR 58 3HG2 THR 58 -0.802 -13.096 1.471 430 H ARG 59 H ARG 59 1.192 -13.880 -1.523 431 HA ARG 59 HA ARG 59 2.846 -11.940 -2.996 432 HB2 ARG 59 1HB ARG 59 3.610 -13.940 -0.863 433 HB3 ARG 59 2HB ARG 59 4.770 -12.991 -1.783 434 HG2 ARG 59 1HG ARG 59 3.792 -10.934 -0.893 435 HG3 ARG 59 2HG ARG 59 2.641 -11.893 0.039 436 HD2 ARG 59 1HD ARG 59 4.330 -12.778 1.414 437 HD3 ARG 59 2HD ARG 59 5.608 -12.264 0.312 438 HE ARG 59 HE ARG 59 4.450 -10.732 2.405 439 HH11 ARG 59 2HH1 ARG 59 5.779 -10.483 -0.803 440 HH12 ARG 59 1HH1 ARG 59 6.280 -8.836 -0.608 441 HH21 ARG 59 2HH2 ARG 59 5.104 -8.564 2.673 442 HH22 ARG 59 1HH2 ARG 59 5.897 -7.746 1.370 443 H ARG 60 H ARG 60 4.557 -12.802 -4.343 444 HA ARG 60 HA ARG 60 3.633 -14.989 -5.948 445 HB2 ARG 60 1HB ARG 60 4.852 -12.887 -6.753 446 HB3 ARG 60 2HB ARG 60 6.323 -13.652 -6.168 447 HG2 ARG 60 1HG ARG 60 4.507 -15.043 -8.101 448 HG3 ARG 60 2HG ARG 60 5.734 -13.897 -8.643 449 HD2 ARG 60 1HD ARG 60 6.242 -16.364 -6.984 450 HD3 ARG 60 2HD ARG 60 6.538 -16.215 -8.715 451 HE ARG 60 HE ARG 60 8.133 -15.107 -6.567 452 HH11 ARG 60 2HH1 ARG 60 7.397 -15.089 -9.970 453 HH12 ARG 60 1HH1 ARG 60 8.916 -14.394 -10.428 454 HH21 ARG 60 2HH2 ARG 60 10.136 -14.191 -7.157 455 HH22 ARG 60 1HH2 ARG 60 10.474 -13.884 -8.827 456 H ASN 61 H ASN 61 6.770 -14.446 -4.330 457 HA ASN 61 HA ASN 61 7.929 -16.867 -4.572 458 HB2 ASN 61 1HB ASN 61 7.860 -15.277 -1.997 459 HB3 ASN 61 2HB ASN 61 9.075 -16.471 -2.444 460 HD21 ASN 61 1HD2 ASN 61 10.679 -14.877 -2.199 461 HD22 ASN 61 2HD2 ASN 61 10.937 -13.674 -3.412 462 H THR 62 H THR 62 5.701 -16.036 -1.915 463 HA THR 62 HA THR 62 5.599 -18.474 -0.640 464 HB THR 62 HB THR 62 3.175 -16.717 -1.033 465 HG1 THR 62 1HG THR 62 5.546 -16.293 0.381 466 HG21 THR 62 1HG2 THR 62 3.982 -18.845 0.888 467 HG22 THR 62 2HG2 THR 62 2.404 -18.506 0.175 468 HG23 THR 62 3HG2 THR 62 3.012 -17.501 1.490 469 H MET 63 H MET 63 3.745 -17.399 -3.459 470 HA MET 63 HA MET 63 2.171 -19.767 -3.641 471 HB2 MET 63 1HB MET 63 1.614 -17.492 -4.624 472 HB3 MET 63 2HB MET 63 2.783 -17.849 -5.888 473 HG2 MET 63 1HG MET 63 0.597 -19.794 -5.329 474 HG3 MET 63 2HG MET 63 0.246 -18.329 -6.243 475 HE1 MET 63 1HE MET 63 0.387 -18.170 -8.617 476 HE2 MET 63 2HE MET 63 2.068 -17.673 -8.425 477 HE3 MET 63 3HE MET 63 1.636 -18.873 -9.644 478 H ALA 64 H ALA 64 4.862 -18.555 -5.649 479 HA ALA 64 HA ALA 64 5.228 -20.631 -7.360 480 HB1 ALA 64 1HB ALA 64 6.610 -18.423 -6.921 481 HB2 ALA 64 2HB ALA 64 7.687 -19.548 -6.092 482 HB3 ALA 64 3HB ALA 64 7.303 -19.789 -7.796 483 H ARG 65 H ARG 65 6.486 -20.447 -4.041 484 HA ARG 65 HA ARG 65 7.795 -22.953 -4.094 485 HB2 ARG 65 1HB ARG 65 6.782 -21.260 -1.808 486 HB3 ARG 65 2HB ARG 65 7.706 -22.739 -1.579 487 HG2 ARG 65 1HG ARG 65 9.614 -21.797 -2.665 488 HG3 ARG 65 2HG ARG 65 8.695 -20.370 -3.147 489 HD2 ARG 65 1HD ARG 65 10.138 -19.924 -1.213 490 HD3 ARG 65 2HD ARG 65 8.430 -19.727 -0.822 491 HE ARG 65 HE ARG 65 8.856 -22.245 -0.054 492 HH11 ARG 65 2HH1 ARG 65 10.693 -19.341 0.507 493 HH12 ARG 65 1HH1 ARG 65 11.309 -19.871 2.037 494 HH21 ARG 65 2HH2 ARG 65 9.661 -22.953 1.959 495 HH22 ARG 65 1HH2 ARG 65 10.722 -21.926 2.862 496 H HIS 66 H HIS 66 4.571 -21.950 -3.032 497 HA HIS 66 HA HIS 66 3.714 -24.333 -1.888 498 HB2 HIS 66 1HB HIS 66 2.265 -22.549 -1.546 499 HB3 HIS 66 2HB HIS 66 2.301 -22.062 -3.238 500 HD1 HIS 66 1HD HIS 66 0.846 -24.781 -1.037 501 HD2 HIS 66 2HD HIS 66 0.227 -23.003 -4.741 502 HE1 HIS 66 1HE HIS 66 -1.316 -25.742 -1.892 503 H ALA 67 H ALA 67 3.635 -23.297 -5.272 504 HA ALA 67 HA ALA 67 2.155 -25.332 -6.397 505 HB1 ALA 67 1HB ALA 67 3.576 -23.227 -7.370 506 HB2 ALA 67 2HB ALA 67 4.518 -24.594 -7.965 507 HB3 ALA 67 3HB ALA 67 2.804 -24.465 -8.361 508 H ASP 68 H ASP 68 5.693 -25.283 -5.947 509 HA ASP 68 HA ASP 68 6.387 -27.714 -6.955 510 HB2 ASP 68 1HB ASP 68 7.438 -26.561 -4.362 511 HB3 ASP 68 2HB ASP 68 8.257 -27.739 -5.385 512 H ASN 69 H ASN 69 5.464 -27.175 -3.549 513 HA ASN 69 HA ASN 69 5.318 -29.953 -2.956 514 HB2 ASN 69 1HB ASN 69 4.140 -27.595 -1.468 515 HB3 ASN 69 2HB ASN 69 4.306 -29.227 -0.829 516 HD21 ASN 69 1HD2 ASN 69 6.700 -30.052 -1.297 517 HD22 ASN 69 2HD2 ASN 69 7.917 -28.981 -0.701 518 H CYS 70 H CYS 70 3.184 -27.761 -4.468 519 HA CYS 70 HA CYS 70 0.754 -29.156 -3.802 520 HB2 CYS 70 1HB CYS 70 0.750 -26.738 -4.279 521 HB3 CYS 70 2HB CYS 70 1.283 -27.066 -5.925 522 H ALA 71 H ALA 71 -0.633 -30.161 -5.418 523 HA ALA 71 HA ALA 71 0.834 -31.319 -7.689 524 HB1 ALA 71 1HB ALA 71 0.525 -33.442 -7.047 525 HB2 ALA 71 2HB ALA 71 0.290 -32.756 -5.439 526 HB3 ALA 71 3HB ALA 71 -1.105 -33.128 -6.451 527 H GLY 72 H GLY 72 -2.320 -30.679 -6.205 528 HA2 GLY 72 1HA GLY 72 -3.494 -29.555 -8.447 529 HA3 GLY 72 2HA GLY 72 -3.842 -31.276 -8.533 530 HA PRO 73 HA PRO 73 -7.143 -29.172 -6.013 531 HB2 PRO 73 1HB PRO 73 -9.226 -30.252 -7.380 532 HB3 PRO 73 2HB PRO 73 -8.436 -28.747 -7.864 533 HG2 PRO 73 1HG PRO 73 -8.051 -31.517 -8.932 534 HG3 PRO 73 2HG PRO 73 -8.181 -29.985 -9.816 535 HD2 PRO 73 1HD PRO 73 -5.804 -31.185 -9.322 536 HD3 PRO 73 2HD PRO 73 -5.982 -29.421 -9.413 537 H ASP 74 H ASP 74 -5.802 -32.114 -6.326 538 HA ASP 74 HA ASP 74 -7.868 -33.549 -4.817 539 HB2 ASP 74 1HB ASP 74 -6.850 -34.628 -6.836 540 HB3 ASP 74 2HB ASP 74 -5.305 -34.644 -5.989 541 H GLY 75 H GLY 75 -7.717 -33.698 -2.682 542 HA2 GLY 75 1HA GLY 75 -6.058 -34.536 -0.928 543 HA3 GLY 75 2HA GLY 75 -5.102 -33.151 -1.434 544 H VAL 76 H VAL 76 -5.258 -32.618 0.885 545 HA VAL 76 HA VAL 76 -7.844 -31.662 1.806 546 HB VAL 76 HB VAL 76 -6.655 -31.113 3.905 547 HG11 VAL 76 1HG1 VAL 76 -7.258 -33.633 2.862 548 HG12 VAL 76 2HG1 VAL 76 -5.694 -33.816 3.658 549 HG13 VAL 76 3HG1 VAL 76 -7.077 -33.194 4.560 550 HG21 VAL 76 1HG2 VAL 76 -4.223 -32.542 2.991 551 HG22 VAL 76 2HG2 VAL 76 -4.427 -30.869 2.470 552 HG23 VAL 76 3HG2 VAL 76 -4.402 -31.260 4.190 553 H GLU 77 H GLU 77 -7.622 -29.472 3.113 554 HA GLU 77 HA GLU 77 -6.139 -27.513 1.510 555 HB2 GLU 77 1HB GLU 77 -8.069 -26.046 1.378 556 HB3 GLU 77 2HB GLU 77 -8.447 -27.600 0.649 557 HG2 GLU 77 1HG GLU 77 -10.311 -26.814 1.961 558 HG3 GLU 77 2HG GLU 77 -9.624 -28.265 2.689 559 H GLY 78 H GLY 78 -5.934 -25.402 2.573 560 HA2 GLY 78 1HA GLY 78 -6.116 -25.633 5.514 561 HA3 GLY 78 2HA GLY 78 -4.708 -24.953 4.713 562 H GLU 79 H GLU 79 -5.604 -23.323 6.484 563 HA GLU 79 HA GLU 79 -7.170 -21.331 4.988 564 HB2 GLU 79 1HB GLU 79 -7.588 -22.370 7.745 565 HB3 GLU 79 2HB GLU 79 -7.854 -20.654 7.476 566 HG2 GLU 79 1HG GLU 79 -9.221 -22.926 6.055 567 HG3 GLU 79 2HG GLU 79 -9.929 -21.855 7.263 568 H ASN 80 H ASN 80 -5.358 -20.175 4.374 569 HA ASN 80 HA ASN 80 -3.345 -19.387 6.256 570 HB2 ASN 80 1HB ASN 80 -2.252 -18.385 4.458 571 HB3 ASN 80 2HB ASN 80 -3.145 -19.688 3.679 572 HD21 ASN 80 1HD2 ASN 80 -4.954 -19.197 2.430 573 HD22 ASN 80 2HD2 ASN 80 -5.247 -17.600 1.839 574 H SER 81 H SER 81 -2.776 -17.029 6.516 575 HA SER 81 HA SER 81 -3.272 -14.937 7.265 576 HB2 SER 81 1HB SER 81 -4.533 -14.940 4.985 577 HB3 SER 81 2HB SER 81 -5.983 -15.081 5.978 578 HG SER 81 HG SER 81 -4.473 -12.910 5.477 579 H GLY 82 H GLY 82 -3.744 -17.078 8.965 580 HA2 GLY 82 1HA GLY 82 -6.228 -17.291 10.157 581 HA3 GLY 82 2HA GLY 82 -4.705 -17.486 11.011 582 HA PRO 83 HA PRO 83 -7.043 -13.826 12.736 583 HB2 PRO 83 1HB PRO 83 -7.008 -14.677 15.313 584 HB3 PRO 83 2HB PRO 83 -8.284 -15.119 14.173 585 HG2 PRO 83 1HG PRO 83 -5.888 -16.692 15.036 586 HG3 PRO 83 2HG PRO 83 -7.561 -17.235 14.811 587 HD2 PRO 83 1HD PRO 83 -5.630 -17.666 12.963 588 HD3 PRO 83 2HD PRO 83 -7.331 -17.409 12.524 589 H SER 84 H SER 84 -4.425 -15.629 14.361 590 HA SER 84 HA SER 84 -2.543 -14.926 15.442 591 HB2 SER 84 1HB SER 84 -2.651 -13.059 13.073 592 HB3 SER 84 2HB SER 84 -1.290 -13.081 14.195 593 HG SER 84 HG SER 84 -0.649 -14.552 12.789 594 H SER 85 H SER 85 -4.854 -13.973 16.635 595 HA SER 85 HA SER 85 -5.040 -11.241 17.075 596 HB2 SER 85 1HB SER 85 -6.493 -13.278 17.932 597 HB3 SER 85 2HB SER 85 -5.485 -13.107 19.369 598 HG SER 85 HG SER 85 -6.479 -10.734 18.413 599 H GLY 86 H GLY 86 -3.376 -13.602 19.179 600 HA2 GLY 86 1HA GLY 86 -1.397 -13.379 20.355 601 HA3 GLY 86 2HA GLY 86 -1.160 -11.817 19.585 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -3.577 -2.593 -24.514 2 HA2 GLY 1 1HA GLY 1 -4.485 -3.359 -22.536 3 HA3 GLY 1 2HA GLY 1 -5.927 -3.544 -23.522 4 H SER 2 H SER 2 -5.811 -5.212 -21.501 5 HA SER 2 HA SER 2 -5.411 -7.787 -22.784 6 HB2 SER 2 1HB SER 2 -3.284 -7.037 -21.452 7 HB3 SER 2 2HB SER 2 -4.243 -7.473 -20.038 8 HG SER 2 HG SER 2 -3.230 -9.094 -22.079 9 H SER 3 H SER 3 -6.333 -9.574 -21.479 10 HA SER 3 HA SER 3 -8.705 -8.617 -20.043 11 HB2 SER 3 1HB SER 3 -9.589 -10.918 -20.462 12 HB3 SER 3 2HB SER 3 -9.212 -10.032 -21.939 13 HG SER 3 HG SER 3 -7.742 -12.115 -20.716 14 H GLY 4 H GLY 4 -7.644 -8.242 -18.043 15 HA2 GLY 4 1HA GLY 4 -6.232 -10.356 -16.705 16 HA3 GLY 4 2HA GLY 4 -6.698 -8.810 -16.012 17 H SER 5 H SER 5 -6.954 -10.690 -14.278 18 HA SER 5 HA SER 5 -9.268 -12.295 -14.367 19 HB2 SER 5 1HB SER 5 -7.833 -11.226 -11.925 20 HB3 SER 5 2HB SER 5 -8.933 -12.604 -11.967 21 HG SER 5 HG SER 5 -6.939 -12.840 -13.796 22 H SER 6 H SER 6 -10.917 -10.895 -15.143 23 HA SER 6 HA SER 6 -11.794 -8.502 -14.296 24 HB2 SER 6 1HB SER 6 -13.379 -10.970 -14.979 25 HB3 SER 6 2HB SER 6 -14.180 -9.447 -14.592 26 HG SER 6 HG SER 6 -12.390 -9.994 -16.716 27 H GLY 7 H GLY 7 -13.263 -7.707 -12.711 28 HA2 GLY 7 1HA GLY 7 -13.329 -9.356 -10.258 29 HA3 GLY 7 2HA GLY 7 -13.075 -7.617 -10.243 30 H ARG 8 H ARG 8 -15.239 -9.712 -9.327 31 HA ARG 8 HA ARG 8 -17.640 -8.898 -10.600 32 HB2 ARG 8 1HB ARG 8 -17.522 -11.017 -9.429 33 HB3 ARG 8 2HB ARG 8 -17.163 -10.199 -7.915 34 HG2 ARG 8 1HG ARG 8 -19.364 -9.218 -7.870 35 HG3 ARG 8 2HG ARG 8 -19.732 -9.902 -9.456 36 HD2 ARG 8 1HD ARG 8 -19.062 -11.527 -7.007 37 HD3 ARG 8 2HD ARG 8 -20.702 -11.177 -7.552 38 HE ARG 8 HE ARG 8 -20.420 -12.665 -9.310 39 HH11 ARG 8 2HH1 ARG 8 -17.447 -12.250 -7.545 40 HH12 ARG 8 1HH1 ARG 8 -16.670 -13.614 -8.278 41 HH21 ARG 8 2HH2 ARG 8 -19.407 -14.463 -10.281 42 HH22 ARG 8 1HH2 ARG 8 -17.785 -14.871 -9.834 43 H THR 9 H THR 9 -18.620 -7.002 -10.443 44 HA THR 9 HA THR 9 -17.959 -5.199 -8.254 45 HB THR 9 HB THR 9 -19.199 -3.499 -9.531 46 HG1 THR 9 1HG THR 9 -20.669 -5.089 -10.514 47 HG21 THR 9 1HG2 THR 9 -17.286 -3.118 -10.608 48 HG22 THR 9 2HG2 THR 9 -17.668 -4.383 -11.776 49 HG23 THR 9 3HG2 THR 9 -16.797 -4.783 -10.296 50 H HIS 10 H HIS 10 -19.306 -4.637 -6.641 51 HA HIS 10 HA HIS 10 -22.126 -4.820 -6.754 52 HB2 HIS 10 1HB HIS 10 -22.582 -6.698 -5.379 53 HB3 HIS 10 2HB HIS 10 -21.446 -7.266 -6.598 54 HD1 HIS 10 1HD HIS 10 -22.049 -7.881 -3.281 55 HD2 HIS 10 2HD HIS 10 -18.616 -6.681 -5.290 56 HE1 HIS 10 1HE HIS 10 -20.133 -8.524 -1.783 57 H THR 11 H THR 11 -22.858 -3.338 -5.386 58 HA THR 11 HA THR 11 -21.094 -2.153 -3.448 59 HB THR 11 HB THR 11 -22.961 -0.614 -2.981 60 HG1 THR 11 1HG THR 11 -24.778 -0.989 -4.649 61 HG21 THR 11 1HG2 THR 11 -23.158 -0.548 -5.873 62 HG22 THR 11 2HG2 THR 11 -21.502 -0.832 -5.337 63 HG23 THR 11 3HG2 THR 11 -22.380 0.589 -4.772 64 H GLY 12 H GLY 12 -22.372 -1.499 -1.276 65 HA2 GLY 12 1HA GLY 12 -24.066 -3.450 -0.119 66 HA3 GLY 12 2HA GLY 12 -22.398 -3.776 0.328 67 H GLU 13 H GLU 13 -22.888 -3.373 2.521 68 HA GLU 13 HA GLU 13 -23.779 -0.708 3.263 69 HB2 GLU 13 1HB GLU 13 -23.552 -1.627 5.608 70 HB3 GLU 13 2HB GLU 13 -24.722 -2.442 4.580 71 HG2 GLU 13 1HG GLU 13 -23.191 -4.255 4.190 72 HG3 GLU 13 2HG GLU 13 -21.921 -3.418 5.082 73 H LYS 14 H LYS 14 -21.961 0.459 2.434 74 HA LYS 14 HA LYS 14 -19.719 0.487 4.319 75 HB2 LYS 14 1HB LYS 14 -19.480 0.384 1.311 76 HB3 LYS 14 2HB LYS 14 -18.162 0.870 2.369 77 HG2 LYS 14 1HG LYS 14 -17.623 -1.309 2.191 78 HG3 LYS 14 2HG LYS 14 -18.786 -1.466 3.510 79 HD2 LYS 14 1HD LYS 14 -20.550 -1.846 1.739 80 HD3 LYS 14 2HD LYS 14 -19.229 -1.978 0.575 81 HE2 LYS 14 1HE LYS 14 -19.644 -4.187 1.172 82 HE3 LYS 14 2HE LYS 14 -18.273 -3.742 2.186 83 HZ1 LYS 14 1HZ LYS 14 -20.814 -4.650 2.975 84 HZ2 LYS 14 2HZ LYS 14 -20.590 -3.088 3.583 85 HZ3 LYS 14 3HZ LYS 14 -19.471 -4.304 3.943 86 HA PRO 15 HA PRO 15 -20.771 4.798 4.215 87 HB2 PRO 15 1HB PRO 15 -18.748 5.647 5.814 88 HB3 PRO 15 2HB PRO 15 -20.186 4.828 6.436 89 HG2 PRO 15 1HG PRO 15 -17.466 3.712 5.871 90 HG3 PRO 15 2HG PRO 15 -18.529 3.420 7.260 91 HD2 PRO 15 1HD PRO 15 -18.308 1.674 5.202 92 HD3 PRO 15 2HD PRO 15 -19.816 1.890 6.113 93 H TYR 16 H TYR 16 -17.474 3.642 3.631 94 HA TYR 16 HA TYR 16 -16.586 6.063 2.404 95 HB2 TYR 16 1HB TYR 16 -15.389 3.299 2.147 96 HB3 TYR 16 2HB TYR 16 -14.582 4.832 1.838 97 HD1 TYR 16 2HD TYR 16 -16.038 2.708 4.496 98 HD2 TYR 16 1HD TYR 16 -13.575 6.058 3.596 99 HE1 TYR 16 2HE TYR 16 -15.286 2.776 6.837 100 HE2 TYR 16 1HE TYR 16 -12.814 6.135 5.934 101 HH TYR 16 HH TYR 16 -14.268 4.888 8.382 102 H ALA 17 H ALA 17 -17.743 6.696 0.662 103 HA ALA 17 HA ALA 17 -18.066 4.762 -1.537 104 HB1 ALA 17 1HB ALA 17 -20.220 5.419 -0.961 105 HB2 ALA 17 2HB ALA 17 -19.738 7.092 -0.672 106 HB3 ALA 17 3HB ALA 17 -19.825 6.471 -2.320 107 H CYS 18 H CYS 18 -16.521 5.020 -3.011 108 HA CYS 18 HA CYS 18 -14.832 7.168 -3.345 109 HB2 CYS 18 1HB CYS 18 -14.752 4.809 -4.401 110 HB3 CYS 18 2HB CYS 18 -15.722 5.510 -5.693 111 H SER 19 H SER 19 -14.781 8.988 -4.627 112 HA SER 19 HA SER 19 -17.365 10.081 -5.329 113 HB2 SER 19 1HB SER 19 -14.579 11.168 -5.132 114 HB3 SER 19 2HB SER 19 -15.798 12.070 -6.032 115 HG SER 19 HG SER 19 -16.322 12.799 -4.131 116 H HIS 20 H HIS 20 -14.290 9.509 -7.035 117 HA HIS 20 HA HIS 20 -15.030 10.279 -9.574 118 HB2 HIS 20 1HB HIS 20 -13.072 8.309 -8.494 119 HB3 HIS 20 2HB HIS 20 -13.412 8.263 -10.222 120 HD1 HIS 20 1HD HIS 20 -12.813 11.169 -7.828 121 HD2 HIS 20 2HD HIS 20 -11.448 9.645 -11.444 122 HE1 HIS 20 1HE HIS 20 -11.087 12.808 -8.640 123 H CYS 21 H CYS 21 -15.645 7.212 -7.941 124 HA CYS 21 HA CYS 21 -17.489 6.509 -10.127 125 HB2 CYS 21 1HB CYS 21 -16.944 4.150 -9.787 126 HB3 CYS 21 2HB CYS 21 -15.497 5.066 -10.194 127 H ASP 22 H ASP 22 -18.825 4.440 -9.152 128 HA ASP 22 HA ASP 22 -20.119 5.534 -6.753 129 HB2 ASP 22 1HB ASP 22 -21.423 5.201 -8.924 130 HB3 ASP 22 2HB ASP 22 -21.284 3.471 -8.619 131 H LYS 23 H LYS 23 -17.699 3.845 -6.766 132 HA LYS 23 HA LYS 23 -18.578 1.280 -5.743 133 HB2 LYS 23 1HB LYS 23 -15.854 2.536 -6.077 134 HB3 LYS 23 2HB LYS 23 -16.096 0.955 -5.346 135 HG2 LYS 23 1HG LYS 23 -17.352 1.363 -7.981 136 HG3 LYS 23 2HG LYS 23 -15.587 1.332 -7.952 137 HD2 LYS 23 1HD LYS 23 -16.065 -0.902 -8.233 138 HD3 LYS 23 2HD LYS 23 -15.950 -0.801 -6.475 139 HE2 LYS 23 1HE LYS 23 -18.346 -0.690 -6.276 140 HE3 LYS 23 2HE LYS 23 -18.527 -0.601 -8.028 141 HZ1 LYS 23 1HZ LYS 23 -18.959 -2.813 -7.495 142 HZ2 LYS 23 2HZ LYS 23 -17.686 -2.910 -6.386 143 HZ3 LYS 23 3HZ LYS 23 -17.359 -2.844 -8.044 144 H THR 24 H THR 24 -17.866 0.497 -3.625 145 HA THR 24 HA THR 24 -17.460 2.597 -1.621 146 HB THR 24 HB THR 24 -19.166 1.692 -0.150 147 HG1 THR 24 1HG THR 24 -20.445 -0.028 -0.773 148 HG21 THR 24 1HG2 THR 24 -19.674 3.328 -2.147 149 HG22 THR 24 2HG2 THR 24 -20.983 2.680 -1.159 150 HG23 THR 24 3HG2 THR 24 -20.631 1.969 -2.734 151 H PHE 25 H PHE 25 -16.677 1.798 0.433 152 HA PHE 25 HA PHE 25 -15.740 -0.953 0.520 153 HB2 PHE 25 1HB PHE 25 -13.738 1.261 0.926 154 HB3 PHE 25 2HB PHE 25 -13.437 -0.462 0.725 155 HD1 PHE 25 1HD PHE 25 -14.900 2.432 -1.111 156 HD2 PHE 25 2HD PHE 25 -12.749 -1.234 -1.330 157 HE1 PHE 25 1HE PHE 25 -14.559 2.781 -3.522 158 HE2 PHE 25 2HE PHE 25 -12.403 -0.891 -3.742 159 HZ PHE 25 HZ PHE 25 -13.308 1.119 -4.841 160 H ARG 26 H ARG 26 -15.212 -1.675 2.602 161 HA ARG 26 HA ARG 26 -16.540 -0.262 4.714 162 HB2 ARG 26 1HB ARG 26 -16.379 -2.814 4.355 163 HB3 ARG 26 2HB ARG 26 -14.789 -2.676 5.094 164 HG2 ARG 26 1HG ARG 26 -15.862 -1.647 7.082 165 HG3 ARG 26 2HG ARG 26 -17.432 -1.966 6.343 166 HD2 ARG 26 1HD ARG 26 -16.499 -4.409 6.158 167 HD3 ARG 26 2HD ARG 26 -15.430 -3.876 7.455 168 HE ARG 26 HE ARG 26 -18.226 -4.455 7.654 169 HH11 ARG 26 2HH1 ARG 26 -15.620 -2.575 8.992 170 HH12 ARG 26 1HH1 ARG 26 -16.363 -2.413 10.549 171 HH21 ARG 26 2HH2 ARG 26 -19.214 -4.249 9.699 172 HH22 ARG 26 1HH2 ARG 26 -18.407 -3.367 10.951 173 H GLN 27 H GLN 27 -13.172 -1.143 4.012 174 HA GLN 27 HA GLN 27 -12.287 0.579 6.213 175 HB2 GLN 27 1HB GLN 27 -11.030 -1.665 4.685 176 HB3 GLN 27 2HB GLN 27 -9.997 -0.478 5.471 177 HG2 GLN 27 1HG GLN 27 -12.103 -2.134 6.841 178 HG3 GLN 27 2HG GLN 27 -10.371 -2.459 6.857 179 HE21 GLN 27 1HE2 GLN 27 -11.588 -2.223 9.218 180 HE22 GLN 27 2HE2 GLN 27 -11.185 -0.728 9.983 181 H LYS 28 H LYS 28 -11.695 2.587 5.777 182 HA LYS 28 HA LYS 28 -11.706 3.899 3.424 183 HB2 LYS 28 1HB LYS 28 -11.250 4.816 5.770 184 HB3 LYS 28 2HB LYS 28 -9.555 4.467 5.456 185 HG2 LYS 28 1HG LYS 28 -9.547 5.979 3.577 186 HG3 LYS 28 2HG LYS 28 -11.279 6.265 3.764 187 HD2 LYS 28 1HD LYS 28 -10.458 8.094 4.866 188 HD3 LYS 28 2HD LYS 28 -10.548 6.950 6.207 189 HE2 LYS 28 1HE LYS 28 -8.421 7.882 6.414 190 HE3 LYS 28 2HE LYS 28 -8.128 6.350 5.592 191 HZ1 LYS 28 1HZ LYS 28 -6.890 8.144 4.564 192 HZ2 LYS 28 2HZ LYS 28 -8.315 9.010 4.284 193 HZ3 LYS 28 3HZ LYS 28 -8.048 7.542 3.487 194 H GLN 29 H GLN 29 -8.952 2.097 4.731 195 HA GLN 29 HA GLN 29 -6.982 2.735 2.937 196 HB2 GLN 29 1HB GLN 29 -6.581 1.275 4.837 197 HB3 GLN 29 2HB GLN 29 -7.595 0.025 4.127 198 HG2 GLN 29 1HG GLN 29 -5.349 -0.613 3.768 199 HG3 GLN 29 2HG GLN 29 -5.986 -0.071 2.215 200 HE21 GLN 29 1HE2 GLN 29 -4.297 1.216 5.058 201 HE22 GLN 29 2HE2 GLN 29 -3.226 2.240 4.170 202 H LEU 30 H LEU 30 -9.250 0.002 2.581 203 HA LEU 30 HA LEU 30 -8.509 -0.876 0.090 204 HB2 LEU 30 1HB LEU 30 -11.333 -0.677 1.127 205 HB3 LEU 30 2HB LEU 30 -10.770 -1.741 -0.160 206 HG LEU 30 HG LEU 30 -9.865 -1.914 2.712 207 HD11 LEU 30 1HD1 LEU 30 -11.363 -4.170 1.990 208 HD12 LEU 30 2HD1 LEU 30 -12.307 -2.772 1.479 209 HD13 LEU 30 3HD1 LEU 30 -11.789 -2.919 3.158 210 HD21 LEU 30 1HD2 LEU 30 -9.520 -3.798 0.381 211 HD22 LEU 30 2HD2 LEU 30 -8.979 -4.083 2.036 212 HD23 LEU 30 3HD2 LEU 30 -8.261 -2.783 1.083 213 H LEU 31 H LEU 31 -10.852 1.689 0.841 214 HA LEU 31 HA LEU 31 -11.496 2.293 -1.841 215 HB2 LEU 31 1HB LEU 31 -13.039 3.085 -0.323 216 HB3 LEU 31 2HB LEU 31 -11.801 3.690 0.776 217 HG LEU 31 HG LEU 31 -11.346 5.519 -0.866 218 HD11 LEU 31 1HD1 LEU 31 -13.002 5.972 -2.589 219 HD12 LEU 31 2HD1 LEU 31 -13.859 4.488 -2.175 220 HD13 LEU 31 3HD1 LEU 31 -12.234 4.407 -2.855 221 HD21 LEU 31 1HD2 LEU 31 -12.899 5.657 1.145 222 HD22 LEU 31 2HD2 LEU 31 -14.226 5.509 -0.007 223 HD23 LEU 31 3HD2 LEU 31 -13.112 6.874 -0.114 224 H ASP 32 H ASP 32 -8.864 3.219 0.225 225 HA ASP 32 HA ASP 32 -8.024 5.477 -1.314 226 HB2 ASP 32 1HB ASP 32 -7.474 5.016 1.130 227 HB3 ASP 32 2HB ASP 32 -6.294 3.846 0.543 228 H MET 33 H MET 33 -6.933 2.105 -1.063 229 HA MET 33 HA MET 33 -4.902 2.374 -3.040 230 HB2 MET 33 1HB MET 33 -4.754 -0.062 -2.939 231 HB3 MET 33 2HB MET 33 -4.825 0.625 -1.321 232 HG2 MET 33 1HG MET 33 -7.023 -0.097 -0.986 233 HG3 MET 33 2HG MET 33 -7.281 -0.387 -2.704 234 HE1 MET 33 1HE MET 33 -7.575 -2.215 -3.531 235 HE2 MET 33 2HE MET 33 -6.471 -3.590 -3.547 236 HE3 MET 33 3HE MET 33 -7.846 -3.575 -2.441 237 H HIS 34 H HIS 34 -8.298 1.566 -3.107 238 HA HIS 34 HA HIS 34 -8.465 0.362 -5.622 239 HB2 HIS 34 1HB HIS 34 -10.460 0.173 -4.516 240 HB3 HIS 34 2HB HIS 34 -10.356 1.792 -3.830 241 HD1 HIS 34 1HD HIS 34 -11.734 -0.105 -6.690 242 HD2 HIS 34 2HD HIS 34 -11.289 3.866 -5.551 243 HE1 HIS 34 1HE HIS 34 -13.236 1.207 -8.223 244 H PHE 35 H PHE 35 -8.840 3.789 -4.734 245 HA PHE 35 HA PHE 35 -9.306 4.792 -7.291 246 HB2 PHE 35 1HB PHE 35 -9.583 6.079 -5.180 247 HB3 PHE 35 2HB PHE 35 -7.831 6.180 -5.044 248 HD1 PHE 35 2HD PHE 35 -6.635 7.151 -7.196 249 HD2 PHE 35 1HD PHE 35 -10.699 7.837 -6.137 250 HE1 PHE 35 2HE PHE 35 -6.645 9.192 -8.571 251 HE2 PHE 35 1HE PHE 35 -10.717 9.878 -7.510 252 HZ PHE 35 HZ PHE 35 -8.688 10.559 -8.729 253 H LYS 36 H LYS 36 -6.219 4.582 -5.524 254 HA LYS 36 HA LYS 36 -4.633 5.497 -7.682 255 HB2 LYS 36 1HB LYS 36 -4.117 4.188 -5.057 256 HB3 LYS 36 2HB LYS 36 -2.826 4.160 -6.251 257 HG2 LYS 36 1HG LYS 36 -4.208 6.656 -5.293 258 HG3 LYS 36 2HG LYS 36 -2.674 6.049 -4.666 259 HD2 LYS 36 1HD LYS 36 -1.776 6.170 -7.004 260 HD3 LYS 36 2HD LYS 36 -3.270 6.987 -7.469 261 HE2 LYS 36 1HE LYS 36 -1.336 7.945 -5.361 262 HE3 LYS 36 2HE LYS 36 -1.436 8.564 -7.008 263 HZ1 LYS 36 1HZ LYS 36 -3.062 9.174 -4.734 264 HZ2 LYS 36 2HZ LYS 36 -3.989 8.743 -6.081 265 HZ3 LYS 36 3HZ LYS 36 -2.884 10.020 -6.188 266 H ARG 37 H ARG 37 -6.326 2.663 -7.328 267 HA ARG 37 HA ARG 37 -4.411 1.034 -8.823 268 HB2 ARG 37 1HB ARG 37 -5.437 -0.081 -6.950 269 HB3 ARG 37 2HB ARG 37 -7.045 0.360 -7.510 270 HG2 ARG 37 1HG ARG 37 -6.561 -1.018 -9.574 271 HG3 ARG 37 2HG ARG 37 -5.142 -1.623 -8.716 272 HD2 ARG 37 1HD ARG 37 -6.488 -2.576 -7.001 273 HD3 ARG 37 2HD ARG 37 -7.932 -1.759 -7.596 274 HE ARG 37 HE ARG 37 -7.155 -3.298 -9.692 275 HH11 ARG 37 2HH1 ARG 37 -7.814 -3.936 -6.333 276 HH12 ARG 37 1HH1 ARG 37 -8.358 -5.557 -6.613 277 HH21 ARG 37 2HH2 ARG 37 -7.869 -5.431 -10.072 278 HH22 ARG 37 1HH2 ARG 37 -8.387 -6.407 -8.740 279 H TYR 38 H TYR 38 -7.914 1.699 -9.018 280 HA TYR 38 HA TYR 38 -8.022 0.979 -11.785 281 HB2 TYR 38 1HB TYR 38 -9.994 2.181 -9.857 282 HB3 TYR 38 2HB TYR 38 -10.373 2.022 -11.568 283 HD1 TYR 38 1HD TYR 38 -8.999 -0.081 -8.793 284 HD2 TYR 38 2HD TYR 38 -11.534 0.137 -12.204 285 HE1 TYR 38 1HE TYR 38 -9.701 -2.408 -8.413 286 HE2 TYR 38 2HE TYR 38 -12.243 -2.188 -11.833 287 HH TYR 38 HH TYR 38 -12.348 -3.762 -9.692 288 H HIS 39 H HIS 39 -8.847 4.068 -10.201 289 HA HIS 39 HA HIS 39 -8.811 5.615 -12.521 290 HB2 HIS 39 1HB HIS 39 -8.205 6.486 -9.687 291 HB3 HIS 39 2HB HIS 39 -8.629 7.558 -11.018 292 HD1 HIS 39 1HD HIS 39 -11.068 6.401 -12.202 293 HD2 HIS 39 2HD HIS 39 -10.377 6.290 -8.107 294 HE1 HIS 39 1HE HIS 39 -13.333 6.119 -11.145 295 H ASP 40 H ASP 40 -6.226 4.245 -10.782 296 HA ASP 40 HA ASP 40 -4.320 5.714 -12.454 297 HB2 ASP 40 1HB ASP 40 -4.397 6.719 -10.144 298 HB3 ASP 40 2HB ASP 40 -3.820 5.175 -9.524 299 HA PRO 41 HA PRO 41 -3.178 1.460 -13.168 300 HB2 PRO 41 1HB PRO 41 -1.275 2.007 -15.026 301 HB3 PRO 41 2HB PRO 41 -3.006 2.036 -15.386 302 HG2 PRO 41 1HG PRO 41 -1.157 4.313 -14.786 303 HG3 PRO 41 2HG PRO 41 -2.423 4.195 -16.022 304 HD2 PRO 41 1HD PRO 41 -2.789 5.507 -13.682 305 HD3 PRO 41 2HD PRO 41 -4.108 4.665 -14.522 306 H ASN 42 H ASN 42 -1.436 3.912 -11.675 307 HA ASN 42 HA ASN 42 1.162 2.839 -11.567 308 HB2 ASN 42 1HB ASN 42 -0.379 4.866 -10.050 309 HB3 ASN 42 2HB ASN 42 1.013 4.172 -9.224 310 HD21 ASN 42 1HD2 ASN 42 -0.077 6.130 -11.861 311 HD22 ASN 42 2HD2 ASN 42 1.472 6.748 -12.314 312 H PHE 43 H PHE 43 -1.338 2.779 -9.019 313 HA PHE 43 HA PHE 43 0.011 0.819 -7.476 314 HB2 PHE 43 1HB PHE 43 -1.695 2.489 -6.631 315 HB3 PHE 43 2HB PHE 43 -2.935 1.471 -7.356 316 HD1 PHE 43 1HD PHE 43 -2.605 -1.133 -6.691 317 HD2 PHE 43 2HD PHE 43 -1.367 2.225 -4.387 318 HE1 PHE 43 1HE PHE 43 -2.663 -2.513 -4.654 319 HE2 PHE 43 2HE PHE 43 -1.422 0.851 -2.347 320 HZ PHE 43 HZ PHE 43 -2.070 -1.522 -2.479 321 H VAL 44 H VAL 44 -0.175 -1.360 -7.405 322 HA VAL 44 HA VAL 44 -2.272 -2.718 -8.882 323 HB VAL 44 HB VAL 44 -0.748 -2.510 -10.682 324 HG11 VAL 44 1HG1 VAL 44 1.351 -1.949 -10.168 325 HG12 VAL 44 2HG1 VAL 44 1.252 -2.708 -8.578 326 HG13 VAL 44 3HG1 VAL 44 1.650 -3.679 -9.996 327 HG21 VAL 44 1HG2 VAL 44 -1.375 -5.008 -9.562 328 HG22 VAL 44 2HG2 VAL 44 -0.989 -4.647 -11.245 329 HG23 VAL 44 3HG2 VAL 44 0.291 -5.126 -10.129 330 HA PRO 45 HA PRO 45 -1.607 -5.183 -5.213 331 HB2 PRO 45 1HB PRO 45 -3.736 -6.819 -5.617 332 HB3 PRO 45 2HB PRO 45 -3.892 -5.179 -4.974 333 HG2 PRO 45 1HG PRO 45 -4.317 -6.168 -7.768 334 HG3 PRO 45 2HG PRO 45 -5.291 -5.025 -6.825 335 HD2 PRO 45 1HD PRO 45 -3.519 -4.221 -8.708 336 HD3 PRO 45 2HD PRO 45 -3.869 -3.263 -7.255 337 H ALA 46 H ALA 46 -0.614 -7.108 -4.823 338 HA ALA 46 HA ALA 46 0.467 -8.540 -7.054 339 HB1 ALA 46 1HB ALA 46 1.060 -10.048 -4.831 340 HB2 ALA 46 2HB ALA 46 2.049 -8.744 -5.492 341 HB3 ALA 46 3HB ALA 46 0.916 -8.414 -4.181 342 H ALA 47 H ALA 47 -0.795 -9.876 -8.185 343 HA ALA 47 HA ALA 47 -2.511 -11.754 -6.693 344 HB1 ALA 47 1HB ALA 47 -3.466 -11.596 -9.328 345 HB2 ALA 47 2HB ALA 47 -4.235 -10.987 -7.861 346 HB3 ALA 47 3HB ALA 47 -3.180 -9.935 -8.805 347 H PHE 48 H PHE 48 -1.425 -13.626 -6.656 348 HA PHE 48 HA PHE 48 -0.365 -14.641 -9.211 349 HB2 PHE 48 1HB PHE 48 0.755 -15.123 -6.441 350 HB3 PHE 48 2HB PHE 48 1.366 -15.839 -7.929 351 HD1 PHE 48 2HD PHE 48 0.810 -12.589 -6.231 352 HD2 PHE 48 1HD PHE 48 2.968 -14.736 -9.205 353 HE1 PHE 48 2HE PHE 48 2.294 -10.652 -6.547 354 HE2 PHE 48 1HE PHE 48 4.457 -12.803 -9.525 355 HZ PHE 48 HZ PHE 48 4.120 -10.757 -8.196 356 H VAL 49 H VAL 49 -1.799 -16.108 -9.883 357 HA VAL 49 HA VAL 49 -3.105 -17.861 -7.942 358 HB VAL 49 HB VAL 49 -3.628 -17.321 -10.860 359 HG11 VAL 49 1HG1 VAL 49 -5.398 -18.940 -10.819 360 HG12 VAL 49 2HG1 VAL 49 -3.901 -19.739 -10.333 361 HG13 VAL 49 3HG1 VAL 49 -5.099 -19.292 -9.117 362 HG21 VAL 49 1HG2 VAL 49 -4.474 -15.651 -9.310 363 HG22 VAL 49 2HG2 VAL 49 -5.809 -16.561 -10.017 364 HG23 VAL 49 3HG2 VAL 49 -5.282 -16.906 -8.370 365 H CYS 50 H CYS 50 -2.725 -20.001 -7.785 366 HA CYS 50 HA CYS 50 -0.350 -21.130 -8.645 367 HB2 CYS 50 1HB CYS 50 -2.130 -21.920 -6.876 368 HB3 CYS 50 2HB CYS 50 -2.743 -22.878 -8.220 369 H SER 51 H SER 51 -0.316 -23.275 -9.966 370 HA SER 51 HA SER 51 -1.847 -22.890 -12.452 371 HB2 SER 51 1HB SER 51 0.114 -23.463 -13.761 372 HB3 SER 51 2HB SER 51 0.511 -22.116 -12.695 373 HG SER 51 HG SER 51 1.473 -23.648 -11.275 374 H LYS 52 H LYS 52 -1.029 -24.924 -9.931 375 HA LYS 52 HA LYS 52 -1.363 -27.388 -11.461 376 HB2 LYS 52 1HB LYS 52 -0.823 -26.970 -8.514 377 HB3 LYS 52 2HB LYS 52 -0.851 -28.524 -9.338 378 HG2 LYS 52 1HG LYS 52 1.007 -27.596 -10.809 379 HG3 LYS 52 2HG LYS 52 1.142 -26.300 -9.617 380 HD2 LYS 52 1HD LYS 52 2.656 -27.751 -8.731 381 HD3 LYS 52 2HD LYS 52 1.200 -28.371 -7.949 382 HE2 LYS 52 1HE LYS 52 2.335 -29.430 -10.534 383 HE3 LYS 52 2HE LYS 52 2.643 -30.136 -8.948 384 HZ1 LYS 52 1HZ LYS 52 0.883 -31.388 -9.618 385 HZ2 LYS 52 2HZ LYS 52 0.191 -30.155 -10.547 386 HZ3 LYS 52 3HZ LYS 52 0.036 -30.133 -8.862 387 H CYS 53 H CYS 53 -2.944 -25.555 -8.877 388 HA CYS 53 HA CYS 53 -5.330 -27.248 -9.236 389 HB2 CYS 53 1HB CYS 53 -5.970 -26.589 -6.942 390 HB3 CYS 53 2HB CYS 53 -4.425 -27.433 -6.982 391 H GLY 54 H GLY 54 -4.265 -23.926 -8.528 392 HA2 GLY 54 1HA GLY 54 -5.202 -22.177 -10.002 393 HA3 GLY 54 2HA GLY 54 -6.753 -22.982 -9.815 394 H LYS 55 H LYS 55 -4.641 -22.709 -7.084 395 HA LYS 55 HA LYS 55 -6.610 -21.245 -5.613 396 HB2 LYS 55 1HB LYS 55 -3.951 -22.446 -5.037 397 HB3 LYS 55 2HB LYS 55 -4.507 -21.169 -3.963 398 HG2 LYS 55 1HG LYS 55 -6.583 -22.457 -3.577 399 HG3 LYS 55 2HG LYS 55 -5.918 -23.760 -4.564 400 HD2 LYS 55 1HD LYS 55 -4.148 -24.136 -3.017 401 HD3 LYS 55 2HD LYS 55 -4.531 -22.662 -2.125 402 HE2 LYS 55 1HE LYS 55 -6.358 -25.049 -2.371 403 HE3 LYS 55 2HE LYS 55 -5.300 -24.734 -0.997 404 HZ1 LYS 55 1HZ LYS 55 -7.415 -22.867 -1.917 405 HZ2 LYS 55 2HZ LYS 55 -6.498 -22.751 -0.501 406 HZ3 LYS 55 3HZ LYS 55 -7.629 -23.997 -0.676 407 H THR 56 H THR 56 -5.764 -19.337 -4.204 408 HA THR 56 HA THR 56 -4.473 -17.414 -6.028 409 HB THR 56 HB THR 56 -5.650 -15.692 -4.496 410 HG1 THR 56 1HG THR 56 -7.780 -16.909 -3.884 411 HG21 THR 56 1HG2 THR 56 -6.267 -16.058 -6.828 412 HG22 THR 56 2HG2 THR 56 -7.708 -15.819 -5.839 413 HG23 THR 56 3HG2 THR 56 -7.256 -17.441 -6.363 414 H PHE 57 H PHE 57 -2.870 -16.068 -5.264 415 HA PHE 57 HA PHE 57 -2.059 -16.290 -2.469 416 HB2 PHE 57 1HB PHE 57 -0.252 -16.952 -4.802 417 HB3 PHE 57 2HB PHE 57 0.314 -16.692 -3.155 418 HD1 PHE 57 1HD PHE 57 -1.740 -18.879 -5.301 419 HD2 PHE 57 2HD PHE 57 0.162 -18.391 -1.524 420 HE1 PHE 57 1HE PHE 57 -2.143 -21.253 -4.795 421 HE2 PHE 57 2HE PHE 57 -0.236 -20.765 -1.013 422 HZ PHE 57 HZ PHE 57 -1.390 -22.199 -2.649 423 H THR 58 H THR 58 -1.328 -14.416 -1.664 424 HA THR 58 HA THR 58 -1.132 -12.143 -3.488 425 HB THR 58 HB THR 58 -1.199 -10.748 -1.459 426 HG1 THR 58 1HG THR 58 -1.894 -12.268 0.461 427 HG21 THR 58 1HG2 THR 58 -3.498 -11.680 -0.615 428 HG22 THR 58 2HG2 THR 58 -3.313 -12.799 -1.965 429 HG23 THR 58 3HG2 THR 58 -3.343 -11.061 -2.258 430 H ARG 59 H ARG 59 1.007 -14.178 -3.234 431 HA ARG 59 HA ARG 59 3.213 -12.340 -3.010 432 HB2 ARG 59 1HB ARG 59 3.010 -14.685 -1.112 433 HB3 ARG 59 2HB ARG 59 4.448 -13.700 -1.347 434 HG2 ARG 59 1HG ARG 59 3.042 -11.718 -0.642 435 HG3 ARG 59 2HG ARG 59 1.824 -12.891 -0.137 436 HD2 ARG 59 1HD ARG 59 3.475 -13.946 1.344 437 HD3 ARG 59 2HD ARG 59 4.669 -12.744 0.854 438 HE ARG 59 HE ARG 59 2.637 -11.227 1.772 439 HH11 ARG 59 2HH1 ARG 59 4.356 -13.946 3.104 440 HH12 ARG 59 1HH1 ARG 59 4.148 -13.439 4.748 441 HH21 ARG 59 2HH2 ARG 59 2.356 -10.549 3.931 442 HH22 ARG 59 1HH2 ARG 59 3.009 -11.507 5.217 443 H ARG 60 H ARG 60 4.414 -12.782 -4.726 444 HA ARG 60 HA ARG 60 4.169 -15.014 -6.352 445 HB2 ARG 60 1HB ARG 60 5.312 -12.737 -6.802 446 HB3 ARG 60 2HB ARG 60 6.751 -13.493 -6.129 447 HG2 ARG 60 1HG ARG 60 5.224 -14.740 -8.388 448 HG3 ARG 60 2HG ARG 60 6.471 -13.521 -8.659 449 HD2 ARG 60 1HD ARG 60 6.908 -16.069 -7.111 450 HD3 ARG 60 2HD ARG 60 7.264 -15.887 -8.828 451 HE ARG 60 HE ARG 60 8.781 -14.832 -6.613 452 HH11 ARG 60 2HH1 ARG 60 8.088 -14.602 -10.017 453 HH12 ARG 60 1HH1 ARG 60 9.592 -13.833 -10.404 454 HH21 ARG 60 2HH2 ARG 60 10.764 -13.819 -7.110 455 HH22 ARG 60 1HH2 ARG 60 11.113 -13.388 -8.750 456 H ASN 61 H ASN 61 6.762 -14.320 -4.004 457 HA ASN 61 HA ASN 61 8.238 -16.627 -4.273 458 HB2 ASN 61 1HB ASN 61 7.664 -15.129 -1.706 459 HB3 ASN 61 2HB ASN 61 8.997 -16.251 -1.960 460 HD21 ASN 61 1HD2 ASN 61 7.928 -13.060 -2.228 461 HD22 ASN 61 2HD2 ASN 61 9.295 -12.412 -3.062 462 H THR 62 H THR 62 5.620 -16.090 -1.910 463 HA THR 62 HA THR 62 5.541 -18.631 -0.815 464 HB THR 62 HB THR 62 3.214 -16.757 -1.281 465 HG1 THR 62 1HG THR 62 4.359 -15.656 0.137 466 HG21 THR 62 1HG2 THR 62 2.336 -18.002 0.789 467 HG22 THR 62 2HG2 THR 62 3.507 -19.251 0.367 468 HG23 THR 62 3HG2 THR 62 2.229 -18.820 -0.768 469 H MET 63 H MET 63 3.403 -17.400 -3.398 470 HA MET 63 HA MET 63 2.047 -19.686 -4.021 471 HB2 MET 63 1HB MET 63 1.814 -17.367 -5.054 472 HB3 MET 63 2HB MET 63 3.107 -17.833 -6.150 473 HG2 MET 63 1HG MET 63 0.733 -19.606 -5.893 474 HG3 MET 63 2HG MET 63 0.593 -18.113 -6.818 475 HE1 MET 63 1HE MET 63 2.334 -18.731 -10.042 476 HE2 MET 63 2HE MET 63 0.779 -18.289 -9.338 477 HE3 MET 63 3HE MET 63 2.253 -17.488 -8.793 478 H ALA 64 H ALA 64 4.964 -18.637 -5.795 479 HA ALA 64 HA ALA 64 5.429 -20.828 -7.328 480 HB1 ALA 64 1HB ALA 64 7.927 -20.298 -6.933 481 HB2 ALA 64 2HB ALA 64 6.898 -19.066 -7.664 482 HB3 ALA 64 3HB ALA 64 7.322 -18.961 -5.955 483 H ARG 65 H ARG 65 6.369 -20.438 -3.929 484 HA ARG 65 HA ARG 65 7.686 -22.932 -3.702 485 HB2 ARG 65 1HB ARG 65 6.417 -21.180 -1.591 486 HB3 ARG 65 2HB ARG 65 7.436 -22.572 -1.250 487 HG2 ARG 65 1HG ARG 65 9.352 -21.510 -1.919 488 HG3 ARG 65 2HG ARG 65 8.494 -20.415 -3.006 489 HD2 ARG 65 1HD ARG 65 7.659 -19.139 -1.152 490 HD3 ARG 65 2HD ARG 65 8.308 -20.306 0.000 491 HE ARG 65 HE ARG 65 9.728 -18.180 -1.283 492 HH11 ARG 65 2HH1 ARG 65 10.042 -21.357 0.106 493 HH12 ARG 65 1HH1 ARG 65 11.721 -21.165 0.492 494 HH21 ARG 65 2HH2 ARG 65 11.937 -17.915 -0.781 495 HH22 ARG 65 1HH2 ARG 65 12.797 -19.206 -0.012 496 H HIS 66 H HIS 66 4.367 -21.892 -3.068 497 HA HIS 66 HA HIS 66 3.380 -24.168 -1.832 498 HB2 HIS 66 1HB HIS 66 1.865 -22.421 -1.847 499 HB3 HIS 66 2HB HIS 66 2.158 -22.041 -3.542 500 HD1 HIS 66 1HD HIS 66 0.626 -24.928 -1.580 501 HD2 HIS 66 2HD HIS 66 0.110 -22.811 -5.117 502 HE1 HIS 66 1HE HIS 66 -1.434 -25.897 -2.649 503 H ALA 67 H ALA 67 3.420 -23.422 -5.315 504 HA ALA 67 HA ALA 67 2.213 -25.618 -6.366 505 HB1 ALA 67 1HB ALA 67 4.415 -23.869 -7.295 506 HB2 ALA 67 2HB ALA 67 4.149 -25.372 -8.180 507 HB3 ALA 67 3HB ALA 67 2.842 -24.199 -8.022 508 H ASP 68 H ASP 68 5.585 -25.412 -5.284 509 HA ASP 68 HA ASP 68 6.541 -27.859 -6.080 510 HB2 ASP 68 1HB ASP 68 7.782 -26.010 -4.846 511 HB3 ASP 68 2HB ASP 68 7.127 -26.692 -3.360 512 H ASN 69 H ASN 69 4.929 -27.163 -2.976 513 HA ASN 69 HA ASN 69 4.693 -29.996 -2.409 514 HB2 ASN 69 1HB ASN 69 3.728 -27.575 -0.869 515 HB3 ASN 69 2HB ASN 69 3.642 -29.238 -0.296 516 HD21 ASN 69 1HD2 ASN 69 5.150 -26.677 0.471 517 HD22 ASN 69 2HD2 ASN 69 6.768 -27.230 0.721 518 H CYS 70 H CYS 70 3.055 -27.995 -4.370 519 HA CYS 70 HA CYS 70 0.351 -28.689 -3.657 520 HB2 CYS 70 1HB CYS 70 0.925 -26.539 -4.764 521 HB3 CYS 70 2HB CYS 70 1.400 -27.436 -6.203 522 H ALA 71 H ALA 71 -1.078 -29.956 -4.940 523 HA ALA 71 HA ALA 71 0.292 -31.980 -6.590 524 HB1 ALA 71 1HB ALA 71 -2.218 -32.536 -5.045 525 HB2 ALA 71 2HB ALA 71 -1.053 -33.678 -5.716 526 HB3 ALA 71 3HB ALA 71 -0.623 -32.703 -4.310 527 H GLY 72 H GLY 72 -2.805 -30.322 -6.029 528 HA2 GLY 72 1HA GLY 72 -3.402 -29.410 -8.470 529 HA3 GLY 72 2HA GLY 72 -3.774 -31.118 -8.653 530 HA PRO 73 HA PRO 73 -7.537 -28.857 -7.072 531 HB2 PRO 73 1HB PRO 73 -9.217 -29.775 -8.996 532 HB3 PRO 73 2HB PRO 73 -8.249 -28.308 -9.186 533 HG2 PRO 73 1HG PRO 73 -7.728 -31.069 -10.221 534 HG3 PRO 73 2HG PRO 73 -7.533 -29.510 -11.043 535 HD2 PRO 73 1HD PRO 73 -5.446 -30.863 -9.971 536 HD3 PRO 73 2HD PRO 73 -5.503 -29.089 -10.035 537 H ASP 74 H ASP 74 -6.414 -31.980 -7.431 538 HA ASP 74 HA ASP 74 -8.853 -33.252 -6.443 539 HB2 ASP 74 1HB ASP 74 -7.510 -34.324 -8.262 540 HB3 ASP 74 2HB ASP 74 -6.194 -34.529 -7.109 541 H GLY 75 H GLY 75 -9.202 -33.444 -4.337 542 HA2 GLY 75 1HA GLY 75 -8.439 -34.391 -2.225 543 HA3 GLY 75 2HA GLY 75 -6.865 -33.681 -2.549 544 H VAL 76 H VAL 76 -8.040 -33.245 -0.135 545 HA VAL 76 HA VAL 76 -9.144 -30.523 -0.305 546 HB VAL 76 HB VAL 76 -10.533 -32.131 0.926 547 HG11 VAL 76 1HG1 VAL 76 -8.315 -33.325 1.746 548 HG12 VAL 76 2HG1 VAL 76 -8.568 -32.283 3.147 549 HG13 VAL 76 3HG1 VAL 76 -9.819 -33.427 2.660 550 HG21 VAL 76 1HG2 VAL 76 -11.168 -30.327 2.055 551 HG22 VAL 76 2HG2 VAL 76 -9.937 -30.682 3.266 552 HG23 VAL 76 3HG2 VAL 76 -9.557 -29.625 1.907 553 H GLU 77 H GLU 77 -7.899 -28.862 0.241 554 HA GLU 77 HA GLU 77 -5.216 -29.181 1.056 555 HB2 GLU 77 1HB GLU 77 -5.214 -26.722 1.296 556 HB3 GLU 77 2HB GLU 77 -5.903 -27.248 -0.233 557 HG2 GLU 77 1HG GLU 77 -7.266 -25.497 0.564 558 HG3 GLU 77 2HG GLU 77 -8.168 -26.992 0.807 559 H GLY 78 H GLY 78 -4.362 -27.850 3.004 560 HA2 GLY 78 1HA GLY 78 -5.593 -27.226 5.302 561 HA3 GLY 78 2HA GLY 78 -5.626 -28.982 5.361 562 H GLU 79 H GLU 79 -3.991 -26.391 6.448 563 HA GLU 79 HA GLU 79 -1.569 -27.980 6.878 564 HB2 GLU 79 1HB GLU 79 -0.095 -26.197 6.318 565 HB3 GLU 79 2HB GLU 79 -1.217 -26.365 4.975 566 HG2 GLU 79 1HG GLU 79 -1.322 -24.286 7.147 567 HG3 GLU 79 2HG GLU 79 -0.845 -24.035 5.468 568 H ASN 80 H ASN 80 -0.626 -27.715 8.859 569 HA ASN 80 HA ASN 80 -1.456 -25.548 10.600 570 HB2 ASN 80 1HB ASN 80 -3.232 -27.033 11.113 571 HB3 ASN 80 2HB ASN 80 -2.162 -28.432 11.126 572 HD21 ASN 80 1HD2 ASN 80 -2.677 -25.336 12.766 573 HD22 ASN 80 2HD2 ASN 80 -2.237 -25.900 14.339 574 H SER 81 H SER 81 -0.080 -25.229 12.367 575 HA SER 81 HA SER 81 1.992 -27.039 13.076 576 HB2 SER 81 1HB SER 81 2.655 -25.927 10.768 577 HB3 SER 81 2HB SER 81 3.125 -24.581 11.805 578 HG SER 81 HG SER 81 4.007 -27.259 12.131 579 H GLY 82 H GLY 82 3.667 -25.883 14.512 580 HA2 GLY 82 1HA GLY 82 3.096 -23.365 15.643 581 HA3 GLY 82 2HA GLY 82 2.320 -24.611 16.609 582 HA PRO 83 HA PRO 83 6.047 -25.628 18.682 583 HB2 PRO 83 1HB PRO 83 6.342 -28.314 18.422 584 HB3 PRO 83 2HB PRO 83 5.093 -27.579 19.434 585 HG2 PRO 83 1HG PRO 83 4.873 -28.693 16.665 586 HG3 PRO 83 2HG PRO 83 3.767 -28.882 18.038 587 HD2 PRO 83 1HD PRO 83 3.307 -27.127 16.028 588 HD3 PRO 83 2HD PRO 83 2.793 -26.820 17.699 589 H SER 84 H SER 84 8.194 -26.959 18.484 590 HA SER 84 HA SER 84 9.403 -26.148 15.979 591 HB2 SER 84 1HB SER 84 10.699 -25.614 17.894 592 HB3 SER 84 2HB SER 84 10.511 -27.232 18.568 593 HG SER 84 HG SER 84 12.440 -27.408 17.672 594 H SER 85 H SER 85 9.368 -29.160 17.893 595 HA SER 85 HA SER 85 10.394 -30.749 15.773 596 HB2 SER 85 1HB SER 85 10.710 -31.474 18.056 597 HB3 SER 85 2HB SER 85 8.969 -31.508 18.333 598 HG SER 85 HG SER 85 9.947 -33.042 16.228 599 H GLY 86 H GLY 86 9.378 -32.057 14.309 600 HA2 GLY 86 1HA GLY 86 7.368 -33.283 13.638 601 HA3 GLY 86 2HA GLY 86 6.427 -31.934 14.258 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -14.962 -16.412 -16.509 2 HA2 GLY 1 1HA GLY 1 -14.330 -18.587 -18.296 3 HA3 GLY 1 2HA GLY 1 -13.091 -17.342 -18.241 4 H SER 2 H SER 2 -14.103 -20.207 -16.910 5 HA SER 2 HA SER 2 -13.574 -21.395 -15.035 6 HB2 SER 2 1HB SER 2 -11.074 -19.693 -15.180 7 HB3 SER 2 2HB SER 2 -11.235 -21.224 -14.319 8 HG SER 2 HG SER 2 -11.279 -20.755 -17.105 9 H SER 3 H SER 3 -15.304 -19.423 -14.395 10 HA SER 3 HA SER 3 -14.290 -18.450 -11.804 11 HB2 SER 3 1HB SER 3 -16.001 -17.077 -13.853 12 HB3 SER 3 2HB SER 3 -16.146 -16.643 -12.150 13 HG SER 3 HG SER 3 -14.242 -15.950 -13.925 14 H GLY 4 H GLY 4 -15.448 -18.964 -10.038 15 HA2 GLY 4 1HA GLY 4 -17.356 -20.985 -10.069 16 HA3 GLY 4 2HA GLY 4 -17.088 -19.886 -8.724 17 H SER 5 H SER 5 -19.362 -21.002 -10.808 18 HA SER 5 HA SER 5 -20.802 -18.693 -11.528 19 HB2 SER 5 1HB SER 5 -21.272 -20.800 -12.615 20 HB3 SER 5 2HB SER 5 -21.732 -21.538 -11.081 21 HG SER 5 HG SER 5 -23.065 -19.284 -12.155 22 H SER 6 H SER 6 -21.149 -20.891 -8.756 23 HA SER 6 HA SER 6 -23.287 -19.436 -7.571 24 HB2 SER 6 1HB SER 6 -21.369 -21.368 -6.247 25 HB3 SER 6 2HB SER 6 -22.947 -20.872 -5.635 26 HG SER 6 HG SER 6 -23.907 -21.906 -7.389 27 H GLY 7 H GLY 7 -23.209 -18.278 -5.534 28 HA2 GLY 7 1HA GLY 7 -21.189 -17.440 -4.002 29 HA3 GLY 7 2HA GLY 7 -20.918 -16.487 -5.454 30 H ARG 8 H ARG 8 -23.934 -17.433 -3.827 31 HA ARG 8 HA ARG 8 -25.244 -15.019 -4.223 32 HB2 ARG 8 1HB ARG 8 -26.689 -15.748 -2.276 33 HB3 ARG 8 2HB ARG 8 -26.536 -16.906 -3.591 34 HG2 ARG 8 1HG ARG 8 -24.918 -18.182 -2.320 35 HG3 ARG 8 2HG ARG 8 -24.975 -16.992 -1.018 36 HD2 ARG 8 1HD ARG 8 -27.524 -17.507 -1.022 37 HD3 ARG 8 2HD ARG 8 -27.044 -18.979 -1.865 38 HE ARG 8 HE ARG 8 -25.416 -18.907 0.312 39 HH11 ARG 8 2HH1 ARG 8 -28.862 -18.761 -0.158 40 HH12 ARG 8 1HH1 ARG 8 -29.232 -19.512 1.359 41 HH21 ARG 8 2HH2 ARG 8 -25.890 -19.896 2.312 42 HH22 ARG 8 1HH2 ARG 8 -27.541 -20.156 2.763 43 H THR 9 H THR 9 -24.366 -13.119 -3.663 44 HA THR 9 HA THR 9 -23.689 -12.722 -0.829 45 HB THR 9 HB THR 9 -21.861 -11.176 -1.514 46 HG1 THR 9 1HG THR 9 -22.129 -10.643 -3.585 47 HG21 THR 9 1HG2 THR 9 -21.856 -14.004 -1.484 48 HG22 THR 9 2HG2 THR 9 -20.512 -12.911 -1.152 49 HG23 THR 9 3HG2 THR 9 -20.788 -13.496 -2.792 50 H HIS 10 H HIS 10 -23.825 -10.483 -0.120 51 HA HIS 10 HA HIS 10 -25.432 -8.741 -1.846 52 HB2 HIS 10 1HB HIS 10 -26.121 -9.312 1.043 53 HB3 HIS 10 2HB HIS 10 -27.000 -8.254 -0.057 54 HD1 HIS 10 1HD HIS 10 -26.897 -11.669 1.157 55 HD2 HIS 10 2HD HIS 10 -28.237 -9.744 -2.271 56 HE1 HIS 10 1HE HIS 10 -28.460 -13.293 0.042 57 H THR 11 H THR 11 -24.256 -6.959 -2.059 58 HA THR 11 HA THR 11 -22.089 -6.068 -0.786 59 HB THR 11 HB THR 11 -22.804 -3.712 -1.243 60 HG1 THR 11 1HG THR 11 -25.249 -5.029 -1.558 61 HG21 THR 11 1HG2 THR 11 -23.596 -5.194 -3.680 62 HG22 THR 11 2HG2 THR 11 -22.028 -5.604 -2.985 63 HG23 THR 11 3HG2 THR 11 -22.374 -3.942 -3.461 64 H GLY 12 H GLY 12 -21.596 -5.887 1.297 65 HA2 GLY 12 1HA GLY 12 -23.585 -5.553 3.326 66 HA3 GLY 12 2HA GLY 12 -21.845 -5.590 3.570 67 H GLU 13 H GLU 13 -21.824 -3.874 5.012 68 HA GLU 13 HA GLU 13 -22.815 -1.290 4.058 69 HB2 GLU 13 1HB GLU 13 -23.464 -1.959 6.321 70 HB3 GLU 13 2HB GLU 13 -21.772 -2.119 6.772 71 HG2 GLU 13 1HG GLU 13 -22.628 -0.053 7.629 72 HG3 GLU 13 2HG GLU 13 -21.462 0.289 6.353 73 H LYS 14 H LYS 14 -21.482 0.107 3.136 74 HA LYS 14 HA LYS 14 -18.606 -0.070 3.755 75 HB2 LYS 14 1HB LYS 14 -19.927 0.657 1.135 76 HB3 LYS 14 2HB LYS 14 -18.201 0.773 1.448 77 HG2 LYS 14 1HG LYS 14 -17.900 -1.498 1.420 78 HG3 LYS 14 2HG LYS 14 -19.568 -1.834 1.891 79 HD2 LYS 14 1HD LYS 14 -20.202 -0.863 -0.399 80 HD3 LYS 14 2HD LYS 14 -18.494 -1.055 -0.804 81 HE2 LYS 14 1HE LYS 14 -18.592 -3.393 -0.544 82 HE3 LYS 14 2HE LYS 14 -20.139 -3.316 0.298 83 HZ1 LYS 14 1HZ LYS 14 -19.782 -2.523 -2.537 84 HZ2 LYS 14 2HZ LYS 14 -21.239 -2.739 -1.705 85 HZ3 LYS 14 3HZ LYS 14 -20.261 -4.073 -2.057 86 HA PRO 15 HA PRO 15 -19.777 4.082 5.192 87 HB2 PRO 15 1HB PRO 15 -17.683 4.302 6.905 88 HB3 PRO 15 2HB PRO 15 -19.173 3.443 7.314 89 HG2 PRO 15 1HG PRO 15 -16.550 2.345 6.378 90 HG3 PRO 15 2HG PRO 15 -17.619 1.748 7.660 91 HD2 PRO 15 1HD PRO 15 -17.548 0.643 5.189 92 HD3 PRO 15 2HD PRO 15 -19.028 0.697 6.169 93 H TYR 16 H TYR 16 -16.969 2.824 3.647 94 HA TYR 16 HA TYR 16 -15.794 5.472 3.276 95 HB2 TYR 16 1HB TYR 16 -14.797 2.761 2.378 96 HB3 TYR 16 2HB TYR 16 -13.911 4.276 2.256 97 HD1 TYR 16 2HD TYR 16 -15.298 1.811 4.640 98 HD2 TYR 16 1HD TYR 16 -12.698 5.137 4.102 99 HE1 TYR 16 2HE TYR 16 -14.367 1.440 6.887 100 HE2 TYR 16 1HE TYR 16 -11.760 4.774 6.347 101 HH TYR 16 HH TYR 16 -12.873 2.089 8.391 102 H ALA 17 H ALA 17 -16.743 6.634 1.727 103 HA ALA 17 HA ALA 17 -17.407 5.297 -0.814 104 HB1 ALA 17 1HB ALA 17 -18.879 7.415 -1.103 105 HB2 ALA 17 2HB ALA 17 -19.433 6.109 -0.054 106 HB3 ALA 17 3HB ALA 17 -18.709 7.556 0.647 107 H CYS 18 H CYS 18 -16.079 5.745 -2.433 108 HA CYS 18 HA CYS 18 -14.023 7.640 -2.329 109 HB2 CYS 18 1HB CYS 18 -14.150 5.595 -3.816 110 HB3 CYS 18 2HB CYS 18 -15.228 6.516 -4.859 111 H SER 19 H SER 19 -13.751 9.658 -3.247 112 HA SER 19 HA SER 19 -16.205 11.165 -3.637 113 HB2 SER 19 1HB SER 19 -14.021 11.844 -2.291 114 HB3 SER 19 2HB SER 19 -13.509 12.431 -3.873 115 HG SER 19 HG SER 19 -14.578 14.092 -2.860 116 H HIS 20 H HIS 20 -13.224 10.451 -5.426 117 HA HIS 20 HA HIS 20 -13.760 11.921 -7.729 118 HB2 HIS 20 1HB HIS 20 -12.185 9.393 -7.272 119 HB3 HIS 20 2HB HIS 20 -12.293 10.144 -8.862 120 HD1 HIS 20 1HD HIS 20 -11.743 11.783 -5.473 121 HD2 HIS 20 2HD HIS 20 -9.882 11.341 -9.162 122 HE1 HIS 20 1HE HIS 20 -9.679 13.214 -5.360 123 H CYS 21 H CYS 21 -14.635 8.578 -6.927 124 HA CYS 21 HA CYS 21 -16.553 8.640 -9.164 125 HB2 CYS 21 1HB CYS 21 -16.200 6.308 -9.553 126 HB3 CYS 21 2HB CYS 21 -14.612 7.065 -9.485 127 H ASP 22 H ASP 22 -18.123 6.576 -8.727 128 HA ASP 22 HA ASP 22 -19.310 7.141 -6.101 129 HB2 ASP 22 1HB ASP 22 -20.607 7.513 -8.284 130 HB3 ASP 22 2HB ASP 22 -20.691 5.757 -8.393 131 H LYS 23 H LYS 23 -17.275 5.525 -5.739 132 HA LYS 23 HA LYS 23 -18.401 2.803 -5.635 133 HB2 LYS 23 1HB LYS 23 -15.549 3.761 -5.834 134 HB3 LYS 23 2HB LYS 23 -15.956 2.116 -5.363 135 HG2 LYS 23 1HG LYS 23 -17.087 3.237 -7.883 136 HG3 LYS 23 2HG LYS 23 -15.410 2.687 -7.846 137 HD2 LYS 23 1HD LYS 23 -16.397 0.540 -6.781 138 HD3 LYS 23 2HD LYS 23 -17.929 1.115 -7.445 139 HE2 LYS 23 1HE LYS 23 -16.933 1.187 -9.677 140 HE3 LYS 23 2HE LYS 23 -15.397 0.630 -9.015 141 HZ1 LYS 23 1HZ LYS 23 -17.855 -0.859 -9.514 142 HZ2 LYS 23 2HZ LYS 23 -16.967 -1.294 -8.142 143 HZ3 LYS 23 3HZ LYS 23 -16.243 -1.348 -9.670 144 H THR 24 H THR 24 -18.013 1.550 -3.738 145 HA THR 24 HA THR 24 -17.265 3.104 -1.355 146 HB THR 24 HB THR 24 -19.064 1.985 -0.078 147 HG1 THR 24 1HG THR 24 -19.199 0.352 -2.031 148 HG21 THR 24 1HG2 THR 24 -19.271 4.186 -1.668 149 HG22 THR 24 2HG2 THR 24 -20.513 3.648 -0.538 150 HG23 THR 24 3HG2 THR 24 -20.623 3.212 -2.243 151 H PHE 25 H PHE 25 -16.572 1.817 0.464 152 HA PHE 25 HA PHE 25 -15.978 -0.985 -0.026 153 HB2 PHE 25 1HB PHE 25 -13.714 0.858 0.726 154 HB3 PHE 25 2HB PHE 25 -13.626 -0.822 0.206 155 HD1 PHE 25 1HD PHE 25 -14.488 2.590 -0.963 156 HD2 PHE 25 2HD PHE 25 -13.311 -1.356 -2.040 157 HE1 PHE 25 1HE PHE 25 -14.129 3.334 -3.280 158 HE2 PHE 25 2HE PHE 25 -12.949 -0.619 -4.359 159 HZ PHE 25 HZ PHE 25 -13.357 1.729 -4.982 160 H ARG 26 H ARG 26 -15.883 -2.176 1.815 161 HA ARG 26 HA ARG 26 -16.821 -0.985 4.227 162 HB2 ARG 26 1HB ARG 26 -16.520 -3.280 5.172 163 HB3 ARG 26 2HB ARG 26 -17.503 -3.226 3.714 164 HG2 ARG 26 1HG ARG 26 -16.177 -5.027 3.261 165 HG3 ARG 26 2HG ARG 26 -15.221 -3.737 2.531 166 HD2 ARG 26 1HD ARG 26 -13.686 -3.718 4.289 167 HD3 ARG 26 2HD ARG 26 -14.786 -4.560 5.379 168 HE ARG 26 HE ARG 26 -12.998 -5.743 3.464 169 HH11 ARG 26 2HH1 ARG 26 -15.915 -6.180 5.312 170 HH12 ARG 26 1HH1 ARG 26 -15.835 -7.910 5.275 171 HH21 ARG 26 2HH2 ARG 26 -12.881 -8.021 3.408 172 HH22 ARG 26 1HH2 ARG 26 -14.108 -8.956 4.192 173 H GLN 27 H GLN 27 -13.699 -1.695 2.940 174 HA GLN 27 HA GLN 27 -12.482 -0.964 5.522 175 HB2 GLN 27 1HB GLN 27 -11.850 -3.118 3.617 176 HB3 GLN 27 2HB GLN 27 -10.457 -2.208 4.185 177 HG2 GLN 27 1HG GLN 27 -11.297 -2.630 6.528 178 HG3 GLN 27 2HG GLN 27 -12.434 -3.772 5.813 179 HE21 GLN 27 1HE2 GLN 27 -11.287 -5.277 7.241 180 HE22 GLN 27 2HE2 GLN 27 -9.842 -6.026 6.660 181 H LYS 28 H LYS 28 -11.057 0.687 5.550 182 HA LYS 28 HA LYS 28 -11.018 2.594 3.539 183 HB2 LYS 28 1HB LYS 28 -10.404 3.157 5.806 184 HB3 LYS 28 2HB LYS 28 -9.017 2.077 5.744 185 HG2 LYS 28 1HG LYS 28 -7.991 3.498 4.037 186 HG3 LYS 28 2HG LYS 28 -9.379 4.586 4.117 187 HD2 LYS 28 1HD LYS 28 -8.882 4.931 6.536 188 HD3 LYS 28 2HD LYS 28 -7.413 3.977 6.322 189 HE2 LYS 28 1HE LYS 28 -6.904 6.346 6.205 190 HE3 LYS 28 2HE LYS 28 -6.631 5.584 4.639 191 HZ1 LYS 28 1HZ LYS 28 -7.771 7.689 4.390 192 HZ2 LYS 28 2HZ LYS 28 -9.022 7.171 5.404 193 HZ3 LYS 28 3HZ LYS 28 -8.783 6.422 3.907 194 H GLN 29 H GLN 29 -8.541 0.156 4.306 195 HA GLN 29 HA GLN 29 -6.593 0.754 2.508 196 HB2 GLN 29 1HB GLN 29 -6.255 -1.084 3.969 197 HB3 GLN 29 2HB GLN 29 -7.666 -1.932 3.350 198 HG2 GLN 29 1HG GLN 29 -5.885 -3.072 2.408 199 HG3 GLN 29 2HG GLN 29 -6.412 -1.991 1.119 200 HE21 GLN 29 1HE2 GLN 29 -5.253 0.146 1.070 201 HE22 GLN 29 2HE2 GLN 29 -3.547 0.115 1.345 202 H LEU 30 H LEU 30 -9.572 -1.047 1.829 203 HA LEU 30 HA LEU 30 -9.050 -1.665 -0.846 204 HB2 LEU 30 1HB LEU 30 -11.524 -1.350 0.786 205 HB3 LEU 30 2HB LEU 30 -11.669 -1.521 -0.962 206 HG LEU 30 HG LEU 30 -10.591 -3.692 -0.869 207 HD11 LEU 30 1HD1 LEU 30 -10.578 -3.539 2.124 208 HD12 LEU 30 2HD1 LEU 30 -9.189 -3.016 1.172 209 HD13 LEU 30 3HD1 LEU 30 -9.754 -4.684 1.064 210 HD21 LEU 30 1HD2 LEU 30 -12.954 -3.754 -0.645 211 HD22 LEU 30 2HD2 LEU 30 -12.872 -3.299 1.058 212 HD23 LEU 30 3HD2 LEU 30 -12.297 -4.885 0.539 213 H LEU 31 H LEU 31 -10.784 1.115 0.541 214 HA LEU 31 HA LEU 31 -11.255 2.377 -1.957 215 HB2 LEU 31 1HB LEU 31 -12.686 3.003 -0.217 216 HB3 LEU 31 2HB LEU 31 -11.351 3.284 0.898 217 HG LEU 31 HG LEU 31 -10.740 5.302 -0.370 218 HD11 LEU 31 1HD1 LEU 31 -13.060 5.823 -1.837 219 HD12 LEU 31 2HD1 LEU 31 -12.581 4.183 -2.273 220 HD13 LEU 31 3HD1 LEU 31 -11.440 5.515 -2.463 221 HD21 LEU 31 1HD2 LEU 31 -13.654 5.375 0.379 222 HD22 LEU 31 2HD2 LEU 31 -12.476 6.684 0.465 223 HD23 LEU 31 3HD2 LEU 31 -12.352 5.312 1.566 224 H ASP 32 H ASP 32 -8.492 2.100 0.006 225 HA ASP 32 HA ASP 32 -7.241 4.548 -0.895 226 HB2 ASP 32 1HB ASP 32 -6.849 3.448 1.371 227 HB3 ASP 32 2HB ASP 32 -5.891 2.245 0.511 228 H MET 33 H MET 33 -6.956 1.078 -1.529 229 HA MET 33 HA MET 33 -4.841 1.442 -3.450 230 HB2 MET 33 1HB MET 33 -5.056 -0.966 -3.830 231 HB3 MET 33 2HB MET 33 -4.960 -0.604 -2.112 232 HG2 MET 33 1HG MET 33 -6.639 -2.158 -2.158 233 HG3 MET 33 2HG MET 33 -7.554 -0.654 -2.232 234 HE1 MET 33 1HE MET 33 -9.706 -2.758 -3.577 235 HE2 MET 33 2HE MET 33 -8.707 -3.958 -4.396 236 HE3 MET 33 3HE MET 33 -8.339 -3.489 -2.736 237 H HIS 34 H HIS 34 -8.313 1.202 -3.486 238 HA HIS 34 HA HIS 34 -8.721 0.525 -6.174 239 HB2 HIS 34 1HB HIS 34 -10.693 0.404 -5.019 240 HB3 HIS 34 2HB HIS 34 -10.335 1.826 -4.044 241 HD1 HIS 34 1HD HIS 34 -11.758 0.812 -7.366 242 HD2 HIS 34 2HD HIS 34 -11.285 4.232 -5.055 243 HE1 HIS 34 1HE HIS 34 -13.161 2.576 -8.481 244 H PHE 35 H PHE 35 -8.240 3.659 -4.611 245 HA PHE 35 HA PHE 35 -8.701 5.221 -6.932 246 HB2 PHE 35 1HB PHE 35 -8.833 6.161 -4.665 247 HB3 PHE 35 2HB PHE 35 -7.107 5.888 -4.449 248 HD1 PHE 35 2HD PHE 35 -5.549 7.041 -6.180 249 HD2 PHE 35 1HD PHE 35 -9.577 8.199 -5.439 250 HE1 PHE 35 2HE PHE 35 -5.080 9.263 -7.125 251 HE2 PHE 35 1HE PHE 35 -9.115 10.423 -6.384 252 HZ PHE 35 HZ PHE 35 -6.864 10.958 -7.228 253 H LYS 36 H LYS 36 -5.644 4.476 -5.248 254 HA LYS 36 HA LYS 36 -3.958 5.472 -7.253 255 HB2 LYS 36 1HB LYS 36 -3.622 3.628 -4.933 256 HB3 LYS 36 2HB LYS 36 -2.335 3.695 -6.129 257 HG2 LYS 36 1HG LYS 36 -3.435 6.130 -4.751 258 HG3 LYS 36 2HG LYS 36 -2.055 5.207 -4.151 259 HD2 LYS 36 1HD LYS 36 -2.115 6.249 -6.962 260 HD3 LYS 36 2HD LYS 36 -1.609 7.279 -5.621 261 HE2 LYS 36 1HE LYS 36 0.013 5.416 -5.012 262 HE3 LYS 36 2HE LYS 36 -0.354 4.725 -6.592 263 HZ1 LYS 36 1HZ LYS 36 0.681 6.431 -7.682 264 HZ2 LYS 36 2HZ LYS 36 1.643 6.343 -6.294 265 HZ3 LYS 36 3HZ LYS 36 0.457 7.542 -6.426 266 H ARG 37 H ARG 37 -5.968 2.802 -7.331 267 HA ARG 37 HA ARG 37 -4.282 1.301 -9.192 268 HB2 ARG 37 1HB ARG 37 -5.325 -0.063 -7.523 269 HB3 ARG 37 2HB ARG 37 -6.899 0.653 -7.838 270 HG2 ARG 37 1HG ARG 37 -6.813 -0.338 -10.124 271 HG3 ARG 37 2HG ARG 37 -5.338 -1.178 -9.642 272 HD2 ARG 37 1HD ARG 37 -6.575 -2.265 -7.817 273 HD3 ARG 37 2HD ARG 37 -8.047 -1.447 -8.342 274 HE ARG 37 HE ARG 37 -6.802 -3.008 -10.406 275 HH11 ARG 37 2HH1 ARG 37 -8.987 -3.076 -7.697 276 HH12 ARG 37 1HH1 ARG 37 -9.844 -4.475 -8.256 277 HH21 ARG 37 2HH2 ARG 37 -7.922 -4.850 -11.153 278 HH22 ARG 37 1HH2 ARG 37 -9.236 -5.483 -10.221 279 H TYR 38 H TYR 38 -7.694 2.346 -9.067 280 HA TYR 38 HA TYR 38 -7.989 2.138 -11.907 281 HB2 TYR 38 1HB TYR 38 -9.740 3.160 -9.685 282 HB3 TYR 38 2HB TYR 38 -10.200 3.369 -11.371 283 HD1 TYR 38 1HD TYR 38 -8.949 0.639 -9.136 284 HD2 TYR 38 2HD TYR 38 -11.608 1.777 -12.256 285 HE1 TYR 38 1HE TYR 38 -9.893 -1.632 -9.150 286 HE2 TYR 38 2HE TYR 38 -12.561 -0.490 -12.278 287 HH TYR 38 HH TYR 38 -11.945 -2.752 -11.635 288 H HIS 39 H HIS 39 -8.314 4.950 -9.731 289 HA HIS 39 HA HIS 39 -8.225 6.881 -11.760 290 HB2 HIS 39 1HB HIS 39 -7.468 7.127 -8.841 291 HB3 HIS 39 2HB HIS 39 -7.722 8.486 -9.932 292 HD1 HIS 39 1HD HIS 39 -10.300 7.961 -11.253 293 HD2 HIS 39 2HD HIS 39 -9.653 6.939 -7.278 294 HE1 HIS 39 1HE HIS 39 -12.587 7.813 -10.216 295 H ASP 40 H ASP 40 -5.798 4.856 -10.676 296 HA ASP 40 HA ASP 40 -3.794 6.382 -12.126 297 HB2 ASP 40 1HB ASP 40 -3.703 5.876 -9.187 298 HB3 ASP 40 2HB ASP 40 -2.197 5.771 -10.094 299 HA PRO 41 HA PRO 41 -3.160 2.151 -13.398 300 HB2 PRO 41 1HB PRO 41 -1.304 2.724 -15.294 301 HB3 PRO 41 2HB PRO 41 -3.037 2.972 -15.540 302 HG2 PRO 41 1HG PRO 41 -0.925 4.959 -14.797 303 HG3 PRO 41 2HG PRO 41 -2.256 5.122 -15.958 304 HD2 PRO 41 1HD PRO 41 -2.362 6.171 -13.463 305 HD3 PRO 41 2HD PRO 41 -3.803 5.575 -14.311 306 H ASN 42 H ASN 42 -1.230 4.085 -11.560 307 HA ASN 42 HA ASN 42 1.298 2.816 -11.792 308 HB2 ASN 42 1HB ASN 42 0.046 4.480 -9.604 309 HB3 ASN 42 2HB ASN 42 1.694 3.866 -9.512 310 HD21 ASN 42 1HD2 ASN 42 -0.392 6.227 -10.831 311 HD22 ASN 42 2HD2 ASN 42 0.798 7.113 -11.717 312 H PHE 43 H PHE 43 -1.097 2.621 -9.151 313 HA PHE 43 HA PHE 43 0.097 0.360 -7.947 314 HB2 PHE 43 1HB PHE 43 -1.430 1.978 -6.795 315 HB3 PHE 43 2HB PHE 43 -2.775 1.267 -7.682 316 HD1 PHE 43 1HD PHE 43 -2.882 -1.391 -7.478 317 HD2 PHE 43 2HD PHE 43 -1.057 1.231 -4.665 318 HE1 PHE 43 1HE PHE 43 -3.135 -3.100 -5.726 319 HE2 PHE 43 2HE PHE 43 -1.306 -0.474 -2.909 320 HZ PHE 43 HZ PHE 43 -2.345 -2.643 -3.438 321 H VAL 44 H VAL 44 -0.032 -1.734 -8.421 322 HA VAL 44 HA VAL 44 -2.270 -2.689 -10.069 323 HB VAL 44 HB VAL 44 -0.367 -2.379 -11.572 324 HG11 VAL 44 1HG1 VAL 44 1.368 -2.656 -9.779 325 HG12 VAL 44 2HG1 VAL 44 1.116 -4.399 -9.901 326 HG13 VAL 44 3HG1 VAL 44 1.717 -3.493 -11.291 327 HG21 VAL 44 1HG2 VAL 44 -1.148 -5.211 -10.932 328 HG22 VAL 44 2HG2 VAL 44 -1.794 -4.154 -12.187 329 HG23 VAL 44 3HG2 VAL 44 -0.157 -4.794 -12.329 330 HA PRO 45 HA PRO 45 -2.362 -5.634 -6.726 331 HB2 PRO 45 1HB PRO 45 -4.481 -7.049 -7.664 332 HB3 PRO 45 2HB PRO 45 -4.650 -5.482 -6.863 333 HG2 PRO 45 1HG PRO 45 -4.650 -6.124 -9.787 334 HG3 PRO 45 2HG PRO 45 -5.704 -5.020 -8.884 335 HD2 PRO 45 1HD PRO 45 -3.594 -4.153 -10.344 336 HD3 PRO 45 2HD PRO 45 -4.130 -3.335 -8.862 337 H ALA 46 H ALA 46 -1.121 -7.381 -6.519 338 HA ALA 46 HA ALA 46 -0.139 -8.797 -8.810 339 HB1 ALA 46 1HB ALA 46 0.520 -8.593 -5.997 340 HB2 ALA 46 2HB ALA 46 0.609 -10.256 -6.578 341 HB3 ALA 46 3HB ALA 46 1.549 -8.993 -7.372 342 H ALA 47 H ALA 47 -1.411 -10.195 -9.845 343 HA ALA 47 HA ALA 47 -3.146 -11.966 -8.256 344 HB1 ALA 47 1HB ALA 47 -4.211 -10.446 -9.958 345 HB2 ALA 47 2HB ALA 47 -3.403 -11.402 -11.201 346 HB3 ALA 47 3HB ALA 47 -4.582 -12.162 -10.132 347 H PHE 48 H PHE 48 -2.054 -13.796 -7.854 348 HA PHE 48 HA PHE 48 -0.859 -15.194 -10.152 349 HB2 PHE 48 1HB PHE 48 0.230 -15.054 -7.333 350 HB3 PHE 48 2HB PHE 48 0.855 -16.111 -8.594 351 HD1 PHE 48 2HD PHE 48 0.384 -12.576 -7.630 352 HD2 PHE 48 1HD PHE 48 2.374 -15.320 -10.204 353 HE1 PHE 48 2HE PHE 48 1.874 -10.773 -8.394 354 HE2 PHE 48 1HE PHE 48 3.868 -13.522 -10.972 355 HZ PHE 48 HZ PHE 48 3.618 -11.245 -10.068 356 H VAL 49 H VAL 49 -2.010 -16.952 -10.561 357 HA VAL 49 HA VAL 49 -3.355 -18.329 -8.339 358 HB VAL 49 HB VAL 49 -3.918 -18.211 -11.287 359 HG11 VAL 49 1HG1 VAL 49 -4.034 -20.544 -10.840 360 HG12 VAL 49 2HG1 VAL 49 -4.890 -20.275 -9.320 361 HG13 VAL 49 3HG1 VAL 49 -5.690 -19.938 -10.856 362 HG21 VAL 49 1HG2 VAL 49 -4.974 -16.508 -9.974 363 HG22 VAL 49 2HG2 VAL 49 -6.204 -17.684 -10.437 364 HG23 VAL 49 3HG2 VAL 49 -5.544 -17.695 -8.801 365 H CYS 50 H CYS 50 -3.047 -20.485 -7.946 366 HA CYS 50 HA CYS 50 -0.568 -21.617 -8.757 367 HB2 CYS 50 1HB CYS 50 -2.025 -21.982 -6.586 368 HB3 CYS 50 2HB CYS 50 -2.727 -23.287 -7.536 369 H SER 51 H SER 51 -0.238 -22.348 -10.752 370 HA SER 51 HA SER 51 -2.310 -23.238 -12.477 371 HB2 SER 51 1HB SER 51 0.666 -23.702 -12.773 372 HB3 SER 51 2HB SER 51 -0.544 -23.743 -14.055 373 HG SER 51 HG SER 51 -0.166 -21.434 -12.482 374 H LYS 52 H LYS 52 -0.993 -24.715 -9.858 375 HA LYS 52 HA LYS 52 -0.972 -27.414 -10.954 376 HB2 LYS 52 1HB LYS 52 -0.279 -26.245 -8.269 377 HB3 LYS 52 2HB LYS 52 -0.452 -27.981 -8.494 378 HG2 LYS 52 1HG LYS 52 1.319 -27.973 -10.146 379 HG3 LYS 52 2HG LYS 52 1.462 -26.219 -10.013 380 HD2 LYS 52 1HD LYS 52 2.322 -26.347 -7.829 381 HD3 LYS 52 2HD LYS 52 1.804 -28.023 -7.635 382 HE2 LYS 52 1HE LYS 52 4.148 -28.078 -7.966 383 HE3 LYS 52 2HE LYS 52 3.418 -28.611 -9.480 384 HZ1 LYS 52 1HZ LYS 52 4.454 -26.984 -10.534 385 HZ2 LYS 52 2HZ LYS 52 5.212 -26.521 -9.095 386 HZ3 LYS 52 3HZ LYS 52 3.739 -25.818 -9.539 387 H CYS 53 H CYS 53 -2.602 -25.724 -8.265 388 HA CYS 53 HA CYS 53 -4.748 -27.722 -8.393 389 HB2 CYS 53 1HB CYS 53 -5.420 -26.827 -6.178 390 HB3 CYS 53 2HB CYS 53 -3.770 -27.443 -6.190 391 H GLY 54 H GLY 54 -4.256 -24.202 -8.206 392 HA2 GLY 54 1HA GLY 54 -5.533 -22.868 -9.850 393 HA3 GLY 54 2HA GLY 54 -6.913 -23.884 -9.462 394 H LYS 55 H LYS 55 -4.683 -22.692 -7.043 395 HA LYS 55 HA LYS 55 -6.889 -21.294 -5.751 396 HB2 LYS 55 1HB LYS 55 -4.249 -22.356 -4.892 397 HB3 LYS 55 2HB LYS 55 -4.875 -20.964 -4.018 398 HG2 LYS 55 1HG LYS 55 -6.709 -22.134 -3.213 399 HG3 LYS 55 2HG LYS 55 -6.580 -23.383 -4.453 400 HD2 LYS 55 1HD LYS 55 -4.574 -24.253 -3.422 401 HD3 LYS 55 2HD LYS 55 -4.575 -22.941 -2.241 402 HE2 LYS 55 1HE LYS 55 -6.320 -23.832 -1.051 403 HE3 LYS 55 2HE LYS 55 -6.992 -24.665 -2.452 404 HZ1 LYS 55 1HZ LYS 55 -5.199 -26.267 -2.329 405 HZ2 LYS 55 2HZ LYS 55 -6.031 -26.212 -0.858 406 HZ3 LYS 55 3HZ LYS 55 -4.523 -25.459 -1.005 407 H THR 56 H THR 56 -6.782 -19.120 -5.093 408 HA THR 56 HA THR 56 -5.091 -17.467 -6.819 409 HB THR 56 HB THR 56 -6.626 -15.601 -5.917 410 HG1 THR 56 1HG THR 56 -7.609 -16.668 -4.216 411 HG21 THR 56 1HG2 THR 56 -8.576 -16.630 -7.406 412 HG22 THR 56 2HG2 THR 56 -7.303 -17.776 -7.826 413 HG23 THR 56 3HG2 THR 56 -7.067 -16.052 -8.113 414 H PHE 57 H PHE 57 -3.400 -16.385 -6.051 415 HA PHE 57 HA PHE 57 -3.170 -16.049 -3.132 416 HB2 PHE 57 1HB PHE 57 -1.036 -16.515 -5.218 417 HB3 PHE 57 2HB PHE 57 -0.677 -16.002 -3.572 418 HD1 PHE 57 1HD PHE 57 -2.311 -18.696 -5.531 419 HD2 PHE 57 2HD PHE 57 -0.470 -17.567 -1.863 420 HE1 PHE 57 1HE PHE 57 -2.333 -21.045 -4.801 421 HE2 PHE 57 2HE PHE 57 -0.488 -19.915 -1.127 422 HZ PHE 57 HZ PHE 57 -1.420 -21.658 -2.597 423 H THR 58 H THR 58 -1.705 -14.195 -2.509 424 HA THR 58 HA THR 58 -2.489 -11.846 -4.075 425 HB THR 58 HB THR 58 -1.929 -10.531 -2.080 426 HG1 THR 58 1HG THR 58 -1.583 -12.030 -0.129 427 HG21 THR 58 1HG2 THR 58 -4.043 -12.377 -2.334 428 HG22 THR 58 2HG2 THR 58 -4.008 -10.902 -1.369 429 HG23 THR 58 3HG2 THR 58 -3.524 -12.438 -0.650 430 H ARG 59 H ARG 59 0.336 -13.481 -2.753 431 HA ARG 59 HA ARG 59 2.053 -11.592 -4.225 432 HB2 ARG 59 1HB ARG 59 2.645 -13.249 -1.769 433 HB3 ARG 59 2HB ARG 59 3.865 -12.352 -2.663 434 HG2 ARG 59 1HG ARG 59 2.621 -10.269 -2.204 435 HG3 ARG 59 2HG ARG 59 1.484 -11.200 -1.227 436 HD2 ARG 59 1HD ARG 59 3.124 -11.719 0.377 437 HD3 ARG 59 2HD ARG 59 4.438 -11.231 -0.692 438 HE ARG 59 HE ARG 59 2.602 -9.119 0.025 439 HH11 ARG 59 2HH1 ARG 59 5.549 -10.798 0.810 440 HH12 ARG 59 1HH1 ARG 59 6.207 -9.483 1.728 441 HH21 ARG 59 2HH2 ARG 59 3.457 -7.382 1.231 442 HH22 ARG 59 1HH2 ARG 59 5.015 -7.541 1.968 443 H ARG 60 H ARG 60 3.853 -12.434 -5.371 444 HA ARG 60 HA ARG 60 3.308 -14.931 -6.663 445 HB2 ARG 60 1HB ARG 60 4.279 -12.923 -7.805 446 HB3 ARG 60 2HB ARG 60 5.770 -13.199 -6.915 447 HG2 ARG 60 1HG ARG 60 4.652 -15.437 -8.518 448 HG3 ARG 60 2HG ARG 60 5.438 -14.100 -9.362 449 HD2 ARG 60 1HD ARG 60 7.423 -14.422 -7.905 450 HD3 ARG 60 2HD ARG 60 6.635 -15.836 -7.207 451 HE ARG 60 HE ARG 60 6.600 -16.430 -9.813 452 HH11 ARG 60 2HH1 ARG 60 9.144 -15.244 -7.754 453 HH12 ARG 60 1HH1 ARG 60 10.409 -16.014 -8.653 454 HH21 ARG 60 2HH2 ARG 60 8.257 -17.449 -11.005 455 HH22 ARG 60 1HH2 ARG 60 9.903 -17.267 -10.503 456 H ASN 61 H ASN 61 6.075 -13.739 -4.751 457 HA ASN 61 HA ASN 61 7.575 -16.029 -4.621 458 HB2 ASN 61 1HB ASN 61 7.137 -13.827 -2.617 459 HB3 ASN 61 2HB ASN 61 8.232 -15.163 -2.275 460 HD21 ASN 61 1HD2 ASN 61 9.411 -12.864 -2.218 461 HD22 ASN 61 2HD2 ASN 61 10.324 -12.539 -3.648 462 H THR 62 H THR 62 4.917 -15.102 -2.451 463 HA THR 62 HA THR 62 5.013 -17.284 -0.728 464 HB THR 62 HB THR 62 2.636 -15.653 -1.631 465 HG1 THR 62 1HG THR 62 3.282 -14.321 -0.115 466 HG21 THR 62 1HG2 THR 62 1.400 -17.288 -0.705 467 HG22 THR 62 2HG2 THR 62 1.986 -16.650 0.831 468 HG23 THR 62 3HG2 THR 62 2.795 -18.026 0.081 469 H MET 63 H MET 63 3.165 -16.891 -3.742 470 HA MET 63 HA MET 63 1.915 -19.409 -3.682 471 HB2 MET 63 1HB MET 63 1.246 -17.488 -5.133 472 HB3 MET 63 2HB MET 63 2.659 -17.803 -6.131 473 HG2 MET 63 1HG MET 63 0.707 -19.996 -5.625 474 HG3 MET 63 2HG MET 63 0.322 -18.739 -6.799 475 HE1 MET 63 1HE MET 63 1.588 -18.055 -8.608 476 HE2 MET 63 2HE MET 63 2.843 -18.939 -9.477 477 HE3 MET 63 3HE MET 63 1.158 -19.448 -9.601 478 H ALA 64 H ALA 64 4.787 -18.335 -5.504 479 HA ALA 64 HA ALA 64 5.522 -20.599 -6.792 480 HB1 ALA 64 1HB ALA 64 7.949 -19.725 -5.810 481 HB2 ALA 64 2HB ALA 64 7.143 -19.146 -7.269 482 HB3 ALA 64 3HB ALA 64 6.931 -18.287 -5.744 483 H ARG 65 H ARG 65 6.363 -19.849 -3.411 484 HA ARG 65 HA ARG 65 7.714 -22.255 -2.885 485 HB2 ARG 65 1HB ARG 65 6.250 -20.392 -1.007 486 HB3 ARG 65 2HB ARG 65 7.305 -21.699 -0.488 487 HG2 ARG 65 1HG ARG 65 9.218 -20.639 -1.323 488 HG3 ARG 65 2HG ARG 65 8.271 -19.520 -2.305 489 HD2 ARG 65 1HD ARG 65 8.957 -18.212 -0.508 490 HD3 ARG 65 2HD ARG 65 7.320 -18.692 -0.063 491 HE ARG 65 HE ARG 65 8.849 -20.602 1.082 492 HH11 ARG 65 2HH1 ARG 65 8.930 -17.123 1.148 493 HH12 ARG 65 1HH1 ARG 65 9.598 -17.038 2.745 494 HH21 ARG 65 2HH2 ARG 65 9.727 -20.505 3.185 495 HH22 ARG 65 1HH2 ARG 65 10.051 -18.963 3.902 496 H HIS 66 H HIS 66 4.323 -21.327 -2.455 497 HA HIS 66 HA HIS 66 3.456 -23.655 -1.155 498 HB2 HIS 66 1HB HIS 66 1.879 -21.975 -1.059 499 HB3 HIS 66 2HB HIS 66 2.125 -21.501 -2.737 500 HD1 HIS 66 1HD HIS 66 0.467 -24.234 -0.708 501 HD2 HIS 66 2HD HIS 66 0.315 -22.541 -4.498 502 HE1 HIS 66 1HE HIS 66 -1.525 -25.280 -1.832 503 H ALA 67 H ALA 67 3.667 -22.851 -4.596 504 HA ALA 67 HA ALA 67 2.389 -25.068 -5.669 505 HB1 ALA 67 1HB ALA 67 4.533 -23.246 -6.659 506 HB2 ALA 67 2HB ALA 67 4.108 -24.678 -7.599 507 HB3 ALA 67 3HB ALA 67 2.881 -23.463 -7.239 508 H ASP 68 H ASP 68 5.664 -24.733 -4.439 509 HA ASP 68 HA ASP 68 6.773 -27.093 -5.435 510 HB2 ASP 68 1HB ASP 68 8.136 -25.375 -4.373 511 HB3 ASP 68 2HB ASP 68 7.341 -25.666 -2.828 512 H ASN 69 H ASN 69 5.202 -26.519 -2.287 513 HA ASN 69 HA ASN 69 5.205 -29.342 -1.676 514 HB2 ASN 69 1HB ASN 69 3.707 -27.216 -0.154 515 HB3 ASN 69 2HB ASN 69 4.354 -28.740 0.446 516 HD21 ASN 69 1HD2 ASN 69 4.804 -25.508 0.439 517 HD22 ASN 69 2HD2 ASN 69 6.498 -25.442 0.770 518 H CYS 70 H CYS 70 3.405 -27.558 -3.712 519 HA CYS 70 HA CYS 70 0.780 -28.548 -3.037 520 HB2 CYS 70 1HB CYS 70 1.142 -26.343 -4.142 521 HB3 CYS 70 2HB CYS 70 1.710 -27.192 -5.576 522 H ALA 71 H ALA 71 -0.469 -29.972 -4.341 523 HA ALA 71 HA ALA 71 1.142 -31.795 -6.007 524 HB1 ALA 71 1HB ALA 71 -0.327 -32.364 -3.630 525 HB2 ALA 71 2HB ALA 71 -1.075 -33.211 -4.984 526 HB3 ALA 71 3HB ALA 71 0.635 -33.455 -4.628 527 H GLY 72 H GLY 72 -1.876 -30.101 -5.551 528 HA2 GLY 72 1HA GLY 72 -2.602 -29.583 -8.055 529 HA3 GLY 72 2HA GLY 72 -3.050 -31.278 -7.946 530 HA PRO 73 HA PRO 73 -6.688 -28.739 -6.614 531 HB2 PRO 73 1HB PRO 73 -8.497 -30.144 -8.072 532 HB3 PRO 73 2HB PRO 73 -7.581 -28.783 -8.731 533 HG2 PRO 73 1HG PRO 73 -7.082 -31.720 -9.022 534 HG3 PRO 73 2HG PRO 73 -6.988 -30.443 -10.248 535 HD2 PRO 73 1HD PRO 73 -4.793 -31.455 -9.028 536 HD3 PRO 73 2HD PRO 73 -4.894 -29.765 -9.563 537 H ASP 74 H ASP 74 -6.383 -29.672 -4.520 538 HA ASP 74 HA ASP 74 -7.841 -32.201 -4.113 539 HB2 ASP 74 1HB ASP 74 -5.463 -31.029 -2.693 540 HB3 ASP 74 2HB ASP 74 -6.490 -32.223 -1.904 541 H GLY 75 H GLY 75 -9.847 -31.080 -3.974 542 HA2 GLY 75 1HA GLY 75 -11.239 -30.731 -1.877 543 HA3 GLY 75 2HA GLY 75 -10.137 -29.398 -1.566 544 H VAL 76 H VAL 76 -11.463 -27.673 -1.721 545 HA VAL 76 HA VAL 76 -12.403 -26.954 -4.357 546 HB VAL 76 HB VAL 76 -14.313 -28.241 -3.521 547 HG11 VAL 76 1HG1 VAL 76 -14.380 -26.232 -1.272 548 HG12 VAL 76 2HG1 VAL 76 -15.575 -27.496 -1.572 549 HG13 VAL 76 3HG1 VAL 76 -13.924 -27.929 -1.125 550 HG21 VAL 76 1HG2 VAL 76 -16.036 -26.503 -3.794 551 HG22 VAL 76 2HG2 VAL 76 -14.795 -25.263 -3.611 552 HG23 VAL 76 3HG2 VAL 76 -14.749 -26.361 -4.991 553 H GLU 77 H GLU 77 -12.527 -24.769 -4.645 554 HA GLU 77 HA GLU 77 -12.872 -22.869 -2.598 555 HB2 GLU 77 1HB GLU 77 -10.629 -23.666 -1.921 556 HB3 GLU 77 2HB GLU 77 -10.010 -23.223 -3.505 557 HG2 GLU 77 1HG GLU 77 -10.720 -20.869 -3.016 558 HG3 GLU 77 2HG GLU 77 -11.058 -21.391 -1.367 559 H GLY 78 H GLY 78 -13.810 -21.264 -3.663 560 HA2 GLY 78 1HA GLY 78 -13.048 -20.795 -6.465 561 HA3 GLY 78 2HA GLY 78 -14.567 -20.312 -5.726 562 H GLU 79 H GLU 79 -14.721 -18.179 -5.633 563 HA GLU 79 HA GLU 79 -12.378 -16.651 -4.726 564 HB2 GLU 79 1HB GLU 79 -12.581 -16.357 -7.143 565 HB3 GLU 79 2HB GLU 79 -14.262 -15.878 -6.960 566 HG2 GLU 79 1HG GLU 79 -13.165 -13.863 -7.217 567 HG3 GLU 79 2HG GLU 79 -13.344 -13.997 -5.468 568 H ASN 80 H ASN 80 -12.773 -15.237 -3.134 569 HA ASN 80 HA ASN 80 -15.528 -14.979 -2.199 570 HB2 ASN 80 1HB ASN 80 -14.547 -14.146 -0.120 571 HB3 ASN 80 2HB ASN 80 -13.800 -15.672 -0.583 572 HD21 ASN 80 1HD2 ASN 80 -12.967 -13.181 0.984 573 HD22 ASN 80 2HD2 ASN 80 -11.399 -12.817 0.355 574 H SER 81 H SER 81 -16.585 -13.043 -1.954 575 HA SER 81 HA SER 81 -17.225 -10.995 -2.796 576 HB2 SER 81 1HB SER 81 -15.853 -10.655 -0.623 577 HB3 SER 81 2HB SER 81 -14.598 -10.029 -1.692 578 HG SER 81 HG SER 81 -17.178 -9.039 -2.032 579 H GLY 82 H GLY 82 -16.099 -12.434 -4.857 580 HA2 GLY 82 1HA GLY 82 -13.997 -11.015 -6.168 581 HA3 GLY 82 2HA GLY 82 -15.028 -12.242 -6.888 582 HA PRO 83 HA PRO 83 -16.413 -8.744 -9.291 583 HB2 PRO 83 1HB PRO 83 -17.996 -10.191 -10.956 584 HB3 PRO 83 2HB PRO 83 -16.238 -10.117 -11.126 585 HG2 PRO 83 1HG PRO 83 -17.931 -12.239 -9.863 586 HG3 PRO 83 2HG PRO 83 -16.530 -12.416 -10.936 587 HD2 PRO 83 1HD PRO 83 -16.355 -12.708 -8.249 588 HD3 PRO 83 2HD PRO 83 -15.021 -12.065 -9.229 589 H SER 84 H SER 84 -18.597 -7.928 -9.983 590 HA SER 84 HA SER 84 -20.694 -8.710 -8.069 591 HB2 SER 84 1HB SER 84 -19.689 -5.960 -8.764 592 HB3 SER 84 2HB SER 84 -21.329 -6.199 -8.161 593 HG SER 84 HG SER 84 -19.781 -7.568 -6.562 594 H SER 85 H SER 85 -22.857 -7.608 -8.772 595 HA SER 85 HA SER 85 -23.627 -8.742 -11.210 596 HB2 SER 85 1HB SER 85 -24.890 -6.906 -9.236 597 HB3 SER 85 2HB SER 85 -25.625 -7.000 -10.837 598 HG SER 85 HG SER 85 -24.986 -9.443 -9.766 599 H GLY 86 H GLY 86 -23.488 -5.259 -10.425 600 HA2 GLY 86 1HA GLY 86 -22.587 -4.767 -13.185 601 HA3 GLY 86 2HA GLY 86 -23.967 -3.882 -12.550 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -3.784 -11.229 -22.823 2 HA2 GLY 1 1HA GLY 1 -4.442 -8.786 -21.334 3 HA3 GLY 1 2HA GLY 1 -5.204 -9.319 -22.825 4 H SER 2 H SER 2 -6.639 -8.462 -20.575 5 HA SER 2 HA SER 2 -7.700 -10.926 -19.396 6 HB2 SER 2 1HB SER 2 -7.224 -9.273 -17.741 7 HB3 SER 2 2HB SER 2 -8.033 -8.012 -18.672 8 HG SER 2 HG SER 2 -9.856 -8.596 -17.816 9 H SER 3 H SER 3 -9.092 -11.829 -20.810 10 HA SER 3 HA SER 3 -10.941 -10.204 -22.334 11 HB2 SER 3 1HB SER 3 -11.709 -12.420 -23.229 12 HB3 SER 3 2HB SER 3 -9.988 -12.111 -23.461 13 HG SER 3 HG SER 3 -10.710 -13.415 -21.118 14 H GLY 4 H GLY 4 -10.957 -12.196 -19.472 15 HA2 GLY 4 1HA GLY 4 -13.883 -11.968 -19.286 16 HA3 GLY 4 2HA GLY 4 -12.883 -13.072 -18.354 17 H SER 5 H SER 5 -14.505 -11.946 -16.769 18 HA SER 5 HA SER 5 -13.269 -9.491 -15.719 19 HB2 SER 5 1HB SER 5 -15.665 -9.305 -16.265 20 HB3 SER 5 2HB SER 5 -16.018 -10.639 -15.167 21 HG SER 5 HG SER 5 -15.995 -9.265 -13.590 22 H SER 6 H SER 6 -12.094 -9.626 -13.934 23 HA SER 6 HA SER 6 -12.397 -12.011 -12.234 24 HB2 SER 6 1HB SER 6 -10.066 -11.669 -11.562 25 HB3 SER 6 2HB SER 6 -10.189 -11.790 -13.317 26 HG SER 6 HG SER 6 -9.543 -9.790 -13.500 27 H GLY 7 H GLY 7 -13.682 -11.510 -10.566 28 HA2 GLY 7 1HA GLY 7 -13.615 -10.553 -8.318 29 HA3 GLY 7 2HA GLY 7 -13.026 -9.065 -9.045 30 H ARG 8 H ARG 8 -15.711 -10.644 -7.853 31 HA ARG 8 HA ARG 8 -17.633 -9.186 -9.488 32 HB2 ARG 8 1HB ARG 8 -18.024 -11.568 -8.830 33 HB3 ARG 8 2HB ARG 8 -18.151 -11.038 -7.158 34 HG2 ARG 8 1HG ARG 8 -20.164 -9.952 -7.518 35 HG3 ARG 8 2HG ARG 8 -19.906 -9.841 -9.261 36 HD2 ARG 8 1HD ARG 8 -20.169 -12.509 -7.930 37 HD3 ARG 8 2HD ARG 8 -21.605 -11.566 -8.327 38 HE ARG 8 HE ARG 8 -19.782 -11.886 -10.528 39 HH11 ARG 8 2HH1 ARG 8 -22.454 -13.287 -8.791 40 HH12 ARG 8 1HH1 ARG 8 -23.004 -14.230 -10.136 41 HH21 ARG 8 2HH2 ARG 8 -20.495 -13.124 -12.306 42 HH22 ARG 8 1HH2 ARG 8 -21.888 -14.137 -12.135 43 H THR 9 H THR 9 -18.906 -7.528 -8.769 44 HA THR 9 HA THR 9 -18.186 -6.398 -6.145 45 HB THR 9 HB THR 9 -18.843 -4.205 -7.042 46 HG1 THR 9 1HG THR 9 -20.290 -5.239 -8.686 47 HG21 THR 9 1HG2 THR 9 -16.739 -3.925 -7.728 48 HG22 THR 9 2HG2 THR 9 -17.038 -4.863 -9.192 49 HG23 THR 9 3HG2 THR 9 -16.556 -5.679 -7.705 50 H HIS 10 H HIS 10 -19.722 -6.218 -4.646 51 HA HIS 10 HA HIS 10 -22.535 -6.159 -5.473 52 HB2 HIS 10 1HB HIS 10 -21.240 -8.128 -3.613 53 HB3 HIS 10 2HB HIS 10 -22.932 -7.689 -3.401 54 HD1 HIS 10 1HD HIS 10 -23.887 -7.640 -6.293 55 HD2 HIS 10 2HD HIS 10 -21.403 -10.588 -4.745 56 HE1 HIS 10 1HE HIS 10 -24.204 -9.638 -7.787 57 H THR 11 H THR 11 -23.189 -4.231 -4.772 58 HA THR 11 HA THR 11 -22.051 -2.841 -2.588 59 HB THR 11 HB THR 11 -23.988 -1.295 -2.820 60 HG1 THR 11 1HG THR 11 -24.872 -2.605 -5.108 61 HG21 THR 11 1HG2 THR 11 -21.962 -1.069 -4.228 62 HG22 THR 11 2HG2 THR 11 -23.422 -0.494 -5.035 63 HG23 THR 11 3HG2 THR 11 -22.738 -2.063 -5.460 64 H GLY 12 H GLY 12 -23.217 -2.126 -0.643 65 HA2 GLY 12 1HA GLY 12 -25.497 -3.561 0.295 66 HA3 GLY 12 2HA GLY 12 -24.015 -4.210 0.982 67 H GLU 13 H GLU 13 -22.679 -2.800 2.264 68 HA GLU 13 HA GLU 13 -23.839 -0.276 3.118 69 HB2 GLU 13 1HB GLU 13 -24.904 -2.035 4.538 70 HB3 GLU 13 2HB GLU 13 -23.304 -2.479 5.116 71 HG2 GLU 13 1HG GLU 13 -23.113 -0.005 5.809 72 HG3 GLU 13 2HG GLU 13 -24.866 0.017 5.629 73 H LYS 14 H LYS 14 -22.118 0.972 2.725 74 HA LYS 14 HA LYS 14 -19.685 0.466 4.242 75 HB2 LYS 14 1HB LYS 14 -19.783 0.682 1.239 76 HB3 LYS 14 2HB LYS 14 -18.324 1.041 2.152 77 HG2 LYS 14 1HG LYS 14 -17.892 -1.130 1.748 78 HG3 LYS 14 2HG LYS 14 -18.901 -1.366 3.177 79 HD2 LYS 14 1HD LYS 14 -20.767 -1.971 1.900 80 HD3 LYS 14 2HD LYS 14 -20.091 -1.281 0.422 81 HE2 LYS 14 1HE LYS 14 -18.641 -3.064 0.104 82 HE3 LYS 14 2HE LYS 14 -18.706 -3.549 1.797 83 HZ1 LYS 14 1HZ LYS 14 -20.522 -4.186 -0.387 84 HZ2 LYS 14 2HZ LYS 14 -21.235 -3.910 1.122 85 HZ3 LYS 14 3HZ LYS 14 -20.064 -5.119 0.948 86 HA PRO 15 HA PRO 15 -20.355 4.831 4.793 87 HB2 PRO 15 1HB PRO 15 -18.220 5.243 6.419 88 HB3 PRO 15 2HB PRO 15 -19.720 4.493 6.976 89 HG2 PRO 15 1HG PRO 15 -17.144 3.202 6.165 90 HG3 PRO 15 2HG PRO 15 -18.200 2.825 7.539 91 HD2 PRO 15 1HD PRO 15 -18.207 1.371 5.255 92 HD3 PRO 15 2HD PRO 15 -19.664 1.606 6.241 93 H TYR 16 H TYR 16 -17.179 3.470 3.988 94 HA TYR 16 HA TYR 16 -16.111 5.942 3.033 95 HB2 TYR 16 1HB TYR 16 -15.127 3.154 2.409 96 HB3 TYR 16 2HB TYR 16 -14.207 4.652 2.326 97 HD1 TYR 16 2HD TYR 16 -15.853 2.289 4.653 98 HD2 TYR 16 1HD TYR 16 -13.117 5.521 4.237 99 HE1 TYR 16 2HE TYR 16 -15.120 1.959 6.977 100 HE2 TYR 16 1HE TYR 16 -12.375 5.199 6.560 101 HH TYR 16 HH TYR 16 -13.812 2.681 8.615 102 H ALA 17 H ALA 17 -17.275 6.847 1.410 103 HA ALA 17 HA ALA 17 -17.711 5.220 -1.008 104 HB1 ALA 17 1HB ALA 17 -19.840 5.850 -0.456 105 HB2 ALA 17 2HB ALA 17 -19.322 7.373 0.267 106 HB3 ALA 17 3HB ALA 17 -19.373 7.202 -1.487 107 H CYS 18 H CYS 18 -16.188 5.614 -2.473 108 HA CYS 18 HA CYS 18 -14.377 7.655 -2.575 109 HB2 CYS 18 1HB CYS 18 -14.606 5.518 -4.041 110 HB3 CYS 18 2HB CYS 18 -15.514 6.560 -5.131 111 H SER 19 H SER 19 -14.269 9.705 -3.361 112 HA SER 19 HA SER 19 -16.781 11.065 -3.796 113 HB2 SER 19 1HB SER 19 -13.923 12.020 -3.600 114 HB3 SER 19 2HB SER 19 -15.268 13.104 -3.955 115 HG SER 19 HG SER 19 -15.625 11.445 -1.775 116 H HIS 20 H HIS 20 -13.826 10.422 -5.646 117 HA HIS 20 HA HIS 20 -14.462 11.843 -7.957 118 HB2 HIS 20 1HB HIS 20 -12.712 9.494 -7.364 119 HB3 HIS 20 2HB HIS 20 -13.018 9.914 -9.046 120 HD1 HIS 20 1HD HIS 20 -12.414 12.298 -6.156 121 HD2 HIS 20 2HD HIS 20 -10.674 11.111 -9.737 122 HE1 HIS 20 1HE HIS 20 -10.461 13.844 -6.499 123 H CYS 21 H CYS 21 -15.225 8.497 -7.066 124 HA CYS 21 HA CYS 21 -17.187 8.454 -9.266 125 HB2 CYS 21 1HB CYS 21 -16.797 6.081 -9.541 126 HB3 CYS 21 2HB CYS 21 -15.262 6.933 -9.669 127 H ASP 22 H ASP 22 -18.740 6.433 -8.784 128 HA ASP 22 HA ASP 22 -19.881 7.003 -6.145 129 HB2 ASP 22 1HB ASP 22 -20.998 6.150 -8.768 130 HB3 ASP 22 2HB ASP 22 -21.822 5.591 -7.316 131 H LYS 23 H LYS 23 -17.737 5.444 -5.862 132 HA LYS 23 HA LYS 23 -18.795 2.709 -5.576 133 HB2 LYS 23 1HB LYS 23 -15.991 3.730 -5.990 134 HB3 LYS 23 2HB LYS 23 -16.308 2.107 -5.391 135 HG2 LYS 23 1HG LYS 23 -17.682 2.971 -7.877 136 HG3 LYS 23 2HG LYS 23 -15.958 2.601 -7.956 137 HD2 LYS 23 1HD LYS 23 -16.468 0.406 -6.864 138 HD3 LYS 23 2HD LYS 23 -18.183 0.784 -7.040 139 HE2 LYS 23 1HE LYS 23 -18.078 0.692 -9.376 140 HE3 LYS 23 2HE LYS 23 -16.322 0.837 -9.392 141 HZ1 LYS 23 1HZ LYS 23 -17.353 -1.482 -7.999 142 HZ2 LYS 23 2HZ LYS 23 -16.055 -1.354 -9.076 143 HZ3 LYS 23 3HZ LYS 23 -17.636 -1.472 -9.667 144 H THR 24 H THR 24 -18.488 1.605 -3.635 145 HA THR 24 HA THR 24 -17.603 3.258 -1.361 146 HB THR 24 HB THR 24 -19.307 2.207 0.041 147 HG1 THR 24 1HG THR 24 -19.856 0.295 -0.780 148 HG21 THR 24 1HG2 THR 24 -20.823 3.757 -0.529 149 HG22 THR 24 2HG2 THR 24 -21.078 3.042 -2.121 150 HG23 THR 24 3HG2 THR 24 -19.736 4.156 -1.859 151 H PHE 25 H PHE 25 -16.841 2.047 0.507 152 HA PHE 25 HA PHE 25 -16.114 -0.733 0.070 153 HB2 PHE 25 1HB PHE 25 -13.948 1.262 0.724 154 HB3 PHE 25 2HB PHE 25 -13.763 -0.436 0.300 155 HD1 PHE 25 1HD PHE 25 -14.844 2.842 -1.056 156 HD2 PHE 25 2HD PHE 25 -13.422 -1.077 -1.912 157 HE1 PHE 25 1HE PHE 25 -14.544 3.470 -3.416 158 HE2 PHE 25 2HE PHE 25 -13.119 -0.455 -4.273 159 HZ PHE 25 HZ PHE 25 -13.680 1.821 -5.028 160 H ARG 26 H ARG 26 -15.569 -1.844 1.969 161 HA ARG 26 HA ARG 26 -16.814 -0.898 4.321 162 HB2 ARG 26 1HB ARG 26 -15.819 -2.922 5.382 163 HB3 ARG 26 2HB ARG 26 -16.701 -3.264 3.900 164 HG2 ARG 26 1HG ARG 26 -14.305 -3.012 2.827 165 HG3 ARG 26 2HG ARG 26 -13.793 -3.434 4.462 166 HD2 ARG 26 1HD ARG 26 -15.855 -5.041 2.987 167 HD3 ARG 26 2HD ARG 26 -14.130 -5.337 2.779 168 HE ARG 26 HE ARG 26 -14.015 -6.121 4.978 169 HH11 ARG 26 2HH1 ARG 26 -17.221 -5.045 4.148 170 HH12 ARG 26 1HH1 ARG 26 -17.973 -5.823 5.501 171 HH21 ARG 26 2HH2 ARG 26 -14.995 -7.150 6.763 172 HH22 ARG 26 1HH2 ARG 26 -16.706 -7.020 6.988 173 H GLN 27 H GLN 27 -13.368 -1.560 3.669 174 HA GLN 27 HA GLN 27 -12.678 0.208 5.910 175 HB2 GLN 27 1HB GLN 27 -11.050 -1.890 4.469 176 HB3 GLN 27 2HB GLN 27 -10.419 -0.847 5.736 177 HG2 GLN 27 1HG GLN 27 -11.937 -1.798 7.342 178 HG3 GLN 27 2HG GLN 27 -12.716 -2.758 6.085 179 HE21 GLN 27 1HE2 GLN 27 -11.216 -4.241 4.883 180 HE22 GLN 27 2HE2 GLN 27 -10.031 -5.082 5.817 181 H LYS 28 H LYS 28 -11.386 1.978 5.649 182 HA LYS 28 HA LYS 28 -11.444 3.429 3.319 183 HB2 LYS 28 1HB LYS 28 -10.877 4.431 5.460 184 HB3 LYS 28 2HB LYS 28 -9.372 3.523 5.519 185 HG2 LYS 28 1HG LYS 28 -8.767 5.687 4.864 186 HG3 LYS 28 2HG LYS 28 -8.729 4.729 3.382 187 HD2 LYS 28 1HD LYS 28 -9.835 6.697 2.766 188 HD3 LYS 28 2HD LYS 28 -11.137 5.534 3.026 189 HE2 LYS 28 1HE LYS 28 -11.515 6.444 5.256 190 HE3 LYS 28 2HE LYS 28 -10.188 7.582 5.029 191 HZ1 LYS 28 1HZ LYS 28 -12.899 7.729 4.101 192 HZ2 LYS 28 2HZ LYS 28 -11.774 8.025 2.874 193 HZ3 LYS 28 3HZ LYS 28 -11.752 8.960 4.283 194 H GLN 29 H GLN 29 -8.993 1.129 4.389 195 HA GLN 29 HA GLN 29 -6.954 1.572 2.626 196 HB2 GLN 29 1HB GLN 29 -7.066 -0.194 4.424 197 HB3 GLN 29 2HB GLN 29 -7.986 -1.184 3.300 198 HG2 GLN 29 1HG GLN 29 -5.302 -0.101 2.549 199 HG3 GLN 29 2HG GLN 29 -5.455 -1.567 3.515 200 HE21 GLN 29 1HE2 GLN 29 -4.205 -1.949 1.273 201 HE22 GLN 29 2HE2 GLN 29 -5.196 -2.699 0.073 202 H LEU 30 H LEU 30 -9.823 -0.449 2.019 203 HA LEU 30 HA LEU 30 -9.209 -1.203 -0.590 204 HB2 LEU 30 1HB LEU 30 -11.789 -0.852 0.890 205 HB3 LEU 30 2HB LEU 30 -11.783 -1.304 -0.814 206 HG LEU 30 HG LEU 30 -12.043 -3.295 0.458 207 HD11 LEU 30 1HD1 LEU 30 -10.183 -4.596 -0.275 208 HD12 LEU 30 2HD1 LEU 30 -9.139 -3.176 -0.330 209 HD13 LEU 30 3HD1 LEU 30 -10.467 -3.339 -1.479 210 HD21 LEU 30 1HD2 LEU 30 -11.305 -2.570 2.617 211 HD22 LEU 30 2HD2 LEU 30 -9.654 -2.351 2.035 212 HD23 LEU 30 3HD2 LEU 30 -10.342 -3.972 2.148 213 H LEU 31 H LEU 31 -11.192 1.538 0.525 214 HA LEU 31 HA LEU 31 -11.710 2.596 -2.029 215 HB2 LEU 31 1HB LEU 31 -13.082 3.304 -0.251 216 HB3 LEU 31 2HB LEU 31 -11.699 3.797 0.723 217 HG LEU 31 HG LEU 31 -11.329 5.718 -0.677 218 HD11 LEU 31 1HD1 LEU 31 -13.716 4.921 -2.322 219 HD12 LEU 31 2HD1 LEU 31 -12.059 4.538 -2.789 220 HD13 LEU 31 3HD1 LEU 31 -12.562 6.220 -2.625 221 HD21 LEU 31 1HD2 LEU 31 -13.766 6.711 -0.505 222 HD22 LEU 31 2HD2 LEU 31 -12.805 6.381 0.937 223 HD23 LEU 31 3HD2 LEU 31 -14.050 5.240 0.426 224 H ASP 32 H ASP 32 -8.952 2.801 0.056 225 HA ASP 32 HA ASP 32 -7.789 5.109 -1.177 226 HB2 ASP 32 1HB ASP 32 -7.328 4.111 1.178 227 HB3 ASP 32 2HB ASP 32 -6.216 3.040 0.329 228 H MET 33 H MET 33 -7.146 1.613 -1.364 229 HA MET 33 HA MET 33 -5.145 1.859 -3.368 230 HB2 MET 33 1HB MET 33 -5.399 -0.592 -3.601 231 HB3 MET 33 2HB MET 33 -5.197 -0.087 -1.929 232 HG2 MET 33 1HG MET 33 -7.443 -0.490 -1.415 233 HG3 MET 33 2HG MET 33 -7.907 -0.555 -3.114 234 HE1 MET 33 1HE MET 33 -8.848 -2.925 -3.749 235 HE2 MET 33 2HE MET 33 -7.453 -2.420 -4.702 236 HE3 MET 33 3HE MET 33 -7.574 -4.084 -4.129 237 H HIS 34 H HIS 34 -8.610 1.635 -3.420 238 HA HIS 34 HA HIS 34 -8.952 0.765 -6.082 239 HB2 HIS 34 1HB HIS 34 -10.932 0.602 -4.944 240 HB3 HIS 34 2HB HIS 34 -10.654 2.081 -4.031 241 HD1 HIS 34 1HD HIS 34 -12.180 0.796 -7.167 242 HD2 HIS 34 2HD HIS 34 -11.499 4.453 -5.315 243 HE1 HIS 34 1HE HIS 34 -13.596 2.457 -8.417 244 H PHE 35 H PHE 35 -8.635 3.979 -4.648 245 HA PHE 35 HA PHE 35 -9.140 5.427 -7.030 246 HB2 PHE 35 1HB PHE 35 -9.285 6.404 -4.749 247 HB3 PHE 35 2HB PHE 35 -7.533 6.294 -4.618 248 HD1 PHE 35 2HD PHE 35 -6.195 7.484 -6.527 249 HD2 PHE 35 1HD PHE 35 -10.232 8.359 -5.500 250 HE1 PHE 35 2HE PHE 35 -5.979 9.698 -7.576 251 HE2 PHE 35 1HE PHE 35 -10.022 10.575 -6.549 252 HZ PHE 35 HZ PHE 35 -7.893 11.247 -7.588 253 H LYS 36 H LYS 36 -6.073 4.770 -5.330 254 HA LYS 36 HA LYS 36 -4.422 5.775 -7.384 255 HB2 LYS 36 1HB LYS 36 -3.984 4.030 -4.992 256 HB3 LYS 36 2HB LYS 36 -2.695 4.206 -6.176 257 HG2 LYS 36 1HG LYS 36 -3.983 6.670 -5.132 258 HG3 LYS 36 2HG LYS 36 -2.879 5.786 -4.076 259 HD2 LYS 36 1HD LYS 36 -1.376 7.157 -5.106 260 HD3 LYS 36 2HD LYS 36 -1.369 5.820 -6.259 261 HE2 LYS 36 1HE LYS 36 -2.727 6.972 -7.777 262 HE3 LYS 36 2HE LYS 36 -3.260 8.129 -6.558 263 HZ1 LYS 36 1HZ LYS 36 -1.620 9.016 -8.179 264 HZ2 LYS 36 2HZ LYS 36 -0.468 7.952 -7.544 265 HZ3 LYS 36 3HZ LYS 36 -1.134 9.160 -6.564 266 H ARG 37 H ARG 37 -6.341 3.058 -7.343 267 HA ARG 37 HA ARG 37 -4.580 1.489 -9.075 268 HB2 ARG 37 1HB ARG 37 -5.630 0.199 -7.353 269 HB3 ARG 37 2HB ARG 37 -7.212 0.861 -7.740 270 HG2 ARG 37 1HG ARG 37 -7.383 -0.391 -9.709 271 HG3 ARG 37 2HG ARG 37 -5.656 -0.757 -9.725 272 HD2 ARG 37 1HD ARG 37 -5.848 -2.399 -8.143 273 HD3 ARG 37 2HD ARG 37 -7.261 -1.658 -7.391 274 HE ARG 37 HE ARG 37 -8.579 -2.925 -8.752 275 HH11 ARG 37 2HH1 ARG 37 -5.393 -2.745 -10.145 276 HH12 ARG 37 1HH1 ARG 37 -5.747 -3.859 -11.423 277 HH21 ARG 37 2HH2 ARG 37 -9.057 -4.394 -10.431 278 HH22 ARG 37 1HH2 ARG 37 -7.831 -4.796 -11.586 279 H TYR 38 H TYR 38 -8.027 2.421 -9.090 280 HA TYR 38 HA TYR 38 -8.247 2.054 -11.916 281 HB2 TYR 38 1HB TYR 38 -10.080 3.198 -9.818 282 HB3 TYR 38 2HB TYR 38 -10.504 3.219 -11.526 283 HD1 TYR 38 1HD TYR 38 -9.230 0.782 -8.987 284 HD2 TYR 38 2HD TYR 38 -11.818 1.489 -12.288 285 HE1 TYR 38 1HE TYR 38 -10.094 -1.513 -8.793 286 HE2 TYR 38 2HE TYR 38 -12.691 -0.803 -12.103 287 HH TYR 38 HH TYR 38 -11.251 -3.149 -9.962 288 H HIS 39 H HIS 39 -8.824 4.991 -9.976 289 HA HIS 39 HA HIS 39 -8.703 6.796 -12.087 290 HB2 HIS 39 1HB HIS 39 -7.974 7.244 -9.185 291 HB3 HIS 39 2HB HIS 39 -8.280 8.521 -10.359 292 HD1 HIS 39 1HD HIS 39 -10.832 7.815 -11.643 293 HD2 HIS 39 2HD HIS 39 -10.153 7.063 -7.614 294 HE1 HIS 39 1HE HIS 39 -13.112 7.639 -10.598 295 H ASP 40 H ASP 40 -6.207 4.975 -10.719 296 HA ASP 40 HA ASP 40 -4.235 6.458 -12.279 297 HB2 ASP 40 1HB ASP 40 -4.306 7.095 -9.717 298 HB3 ASP 40 2HB ASP 40 -3.415 5.587 -9.539 299 HA PRO 41 HA PRO 41 -3.511 2.164 -13.305 300 HB2 PRO 41 1HB PRO 41 -1.752 2.682 -15.307 301 HB3 PRO 41 2HB PRO 41 -3.502 2.838 -15.502 302 HG2 PRO 41 1HG PRO 41 -1.457 4.961 -14.978 303 HG3 PRO 41 2HG PRO 41 -2.835 4.985 -16.094 304 HD2 PRO 41 1HD PRO 41 -2.898 6.199 -13.675 305 HD3 PRO 41 2HD PRO 41 -4.341 5.485 -14.423 306 H ASN 42 H ASN 42 -1.626 4.279 -11.650 307 HA ASN 42 HA ASN 42 0.953 3.104 -11.902 308 HB2 ASN 42 1HB ASN 42 -0.279 4.877 -9.790 309 HB3 ASN 42 2HB ASN 42 1.398 4.344 -9.736 310 HD21 ASN 42 1HD2 ASN 42 2.526 4.682 -11.959 311 HD22 ASN 42 2HD2 ASN 42 2.321 6.258 -12.637 312 H PHE 43 H PHE 43 -1.317 3.036 -9.147 313 HA PHE 43 HA PHE 43 -0.017 0.989 -7.755 314 HB2 PHE 43 1HB PHE 43 -1.792 2.567 -6.869 315 HB3 PHE 43 2HB PHE 43 -2.985 1.536 -7.652 316 HD1 PHE 43 1HD PHE 43 -2.794 -1.018 -7.048 317 HD2 PHE 43 2HD PHE 43 -1.259 2.162 -4.673 318 HE1 PHE 43 1HE PHE 43 -2.829 -2.482 -5.071 319 HE2 PHE 43 2HE PHE 43 -1.290 0.703 -2.693 320 HZ PHE 43 HZ PHE 43 -2.075 -1.623 -2.890 321 H VAL 44 H VAL 44 -0.225 -1.209 -7.708 322 HA VAL 44 HA VAL 44 -2.211 -2.535 -9.355 323 HB VAL 44 HB VAL 44 -0.564 -2.243 -11.042 324 HG11 VAL 44 1HG1 VAL 44 1.306 -1.619 -9.596 325 HG12 VAL 44 2HG1 VAL 44 1.471 -3.298 -9.080 326 HG13 VAL 44 3HG1 VAL 44 1.782 -2.856 -10.759 327 HG21 VAL 44 1HG2 VAL 44 0.240 -4.601 -11.405 328 HG22 VAL 44 2HG2 VAL 44 -0.426 -4.993 -9.820 329 HG23 VAL 44 3HG2 VAL 44 -1.490 -4.431 -11.109 330 HA PRO 45 HA PRO 45 -1.745 -5.101 -5.722 331 HB2 PRO 45 1HB PRO 45 -3.843 -6.727 -6.291 332 HB3 PRO 45 2HB PRO 45 -4.039 -5.107 -5.610 333 HG2 PRO 45 1HG PRO 45 -4.305 -6.013 -8.451 334 HG3 PRO 45 2HG PRO 45 -5.334 -4.900 -7.531 335 HD2 PRO 45 1HD PRO 45 -3.463 -4.039 -9.288 336 HD3 PRO 45 2HD PRO 45 -3.895 -3.124 -7.829 337 H ALA 46 H ALA 46 -0.682 -6.976 -5.360 338 HA ALA 46 HA ALA 46 0.460 -8.371 -7.581 339 HB1 ALA 46 1HB ALA 46 0.702 -8.528 -4.619 340 HB2 ALA 46 2HB ALA 46 1.256 -9.895 -5.588 341 HB3 ALA 46 3HB ALA 46 1.949 -8.293 -5.845 342 H ALA 47 H ALA 47 -0.736 -9.735 -8.746 343 HA ALA 47 HA ALA 47 -2.544 -11.576 -7.321 344 HB1 ALA 47 1HB ALA 47 -3.949 -11.642 -9.233 345 HB2 ALA 47 2HB ALA 47 -3.601 -9.943 -8.913 346 HB3 ALA 47 3HB ALA 47 -2.762 -10.784 -10.216 347 H PHE 48 H PHE 48 -1.446 -13.425 -7.040 348 HA PHE 48 HA PHE 48 -0.246 -14.662 -9.424 349 HB2 PHE 48 1HB PHE 48 0.881 -14.678 -6.617 350 HB3 PHE 48 2HB PHE 48 1.502 -15.645 -7.951 351 HD1 PHE 48 2HD PHE 48 1.125 -12.237 -6.634 352 HD2 PHE 48 1HD PHE 48 2.860 -14.681 -9.655 353 HE1 PHE 48 2HE PHE 48 2.579 -10.369 -7.304 354 HE2 PHE 48 1HE PHE 48 4.318 -12.818 -10.330 355 HZ PHE 48 HZ PHE 48 4.178 -10.658 -9.155 356 H VAL 49 H VAL 49 -1.829 -16.114 -9.861 357 HA VAL 49 HA VAL 49 -2.885 -17.774 -7.699 358 HB VAL 49 HB VAL 49 -3.720 -17.420 -10.573 359 HG11 VAL 49 1HG1 VAL 49 -3.938 -19.780 -9.990 360 HG12 VAL 49 2HG1 VAL 49 -4.853 -19.345 -8.545 361 HG13 VAL 49 3HG1 VAL 49 -5.520 -19.016 -10.144 362 HG21 VAL 49 1HG2 VAL 49 -4.511 -15.650 -9.215 363 HG22 VAL 49 2HG2 VAL 49 -5.873 -16.749 -9.430 364 HG23 VAL 49 3HG2 VAL 49 -4.967 -16.753 -7.917 365 H CYS 50 H CYS 50 -2.465 -19.904 -7.476 366 HA CYS 50 HA CYS 50 -0.165 -21.060 -8.427 367 HB2 CYS 50 1HB CYS 50 -1.881 -21.830 -6.590 368 HB3 CYS 50 2HB CYS 50 -2.540 -22.806 -7.899 369 H SER 51 H SER 51 -0.184 -23.239 -9.709 370 HA SER 51 HA SER 51 -1.786 -22.888 -12.155 371 HB2 SER 51 1HB SER 51 0.364 -22.135 -12.796 372 HB3 SER 51 2HB SER 51 1.171 -23.420 -11.897 373 HG SER 51 HG SER 51 0.178 -23.430 -14.434 374 H LYS 52 H LYS 52 -0.881 -24.884 -9.630 375 HA LYS 52 HA LYS 52 -1.287 -27.368 -11.113 376 HB2 LYS 52 1HB LYS 52 -0.620 -26.934 -8.196 377 HB3 LYS 52 2HB LYS 52 -0.658 -28.486 -9.023 378 HG2 LYS 52 1HG LYS 52 1.131 -27.542 -10.558 379 HG3 LYS 52 2HG LYS 52 1.286 -26.229 -9.388 380 HD2 LYS 52 1HD LYS 52 2.867 -27.653 -8.562 381 HD3 LYS 52 2HD LYS 52 1.455 -28.258 -7.691 382 HE2 LYS 52 1HE LYS 52 1.315 -30.159 -8.967 383 HE3 LYS 52 2HE LYS 52 2.081 -29.407 -10.365 384 HZ1 LYS 52 1HZ LYS 52 4.102 -29.356 -8.675 385 HZ2 LYS 52 2HZ LYS 52 3.794 -30.685 -9.674 386 HZ3 LYS 52 3HZ LYS 52 3.296 -30.709 -8.058 387 H CYS 53 H CYS 53 -2.698 -25.568 -8.399 388 HA CYS 53 HA CYS 53 -5.101 -27.254 -8.615 389 HB2 CYS 53 1HB CYS 53 -5.631 -26.547 -6.328 390 HB3 CYS 53 2HB CYS 53 -4.039 -27.294 -6.403 391 H GLY 54 H GLY 54 -4.046 -23.892 -8.124 392 HA2 GLY 54 1HA GLY 54 -5.041 -22.180 -9.556 393 HA3 GLY 54 2HA GLY 54 -6.567 -23.039 -9.405 394 H LYS 55 H LYS 55 -4.263 -22.269 -6.836 395 HA LYS 55 HA LYS 55 -6.416 -20.933 -5.384 396 HB2 LYS 55 1HB LYS 55 -4.674 -22.738 -4.492 397 HB3 LYS 55 2HB LYS 55 -3.706 -21.299 -4.202 398 HG2 LYS 55 1HG LYS 55 -5.375 -20.384 -2.757 399 HG3 LYS 55 2HG LYS 55 -6.509 -21.671 -3.172 400 HD2 LYS 55 1HD LYS 55 -5.063 -23.317 -2.127 401 HD3 LYS 55 2HD LYS 55 -3.861 -22.072 -1.779 402 HE2 LYS 55 1HE LYS 55 -6.676 -21.866 -0.761 403 HE3 LYS 55 2HE LYS 55 -5.450 -22.788 0.108 404 HZ1 LYS 55 1HZ LYS 55 -4.975 -20.846 1.066 405 HZ2 LYS 55 2HZ LYS 55 -5.795 -19.940 -0.103 406 HZ3 LYS 55 3HZ LYS 55 -4.204 -20.442 -0.384 407 H THR 56 H THR 56 -6.126 -18.871 -4.403 408 HA THR 56 HA THR 56 -4.466 -17.094 -6.017 409 HB THR 56 HB THR 56 -5.737 -15.277 -4.779 410 HG1 THR 56 1HG THR 56 -7.819 -16.254 -3.930 411 HG21 THR 56 1HG2 THR 56 -8.001 -16.378 -5.957 412 HG22 THR 56 2HG2 THR 56 -6.655 -17.105 -6.835 413 HG23 THR 56 3HG2 THR 56 -6.802 -15.351 -6.743 414 H PHE 57 H PHE 57 -2.741 -16.002 -5.267 415 HA PHE 57 HA PHE 57 -2.147 -16.179 -2.388 416 HB2 PHE 57 1HB PHE 57 -0.273 -16.552 -4.726 417 HB3 PHE 57 2HB PHE 57 0.290 -16.262 -3.083 418 HD1 PHE 57 1HD PHE 57 -1.583 -18.609 -5.228 419 HD2 PHE 57 2HD PHE 57 0.353 -17.996 -1.488 420 HE1 PHE 57 1HE PHE 57 -1.737 -21.020 -4.757 421 HE2 PHE 57 2HE PHE 57 0.203 -20.405 -1.011 422 HZ PHE 57 HZ PHE 57 -0.842 -21.920 -2.646 423 H THR 58 H THR 58 -0.620 -14.506 -1.625 424 HA THR 58 HA THR 58 -1.292 -11.940 -2.843 425 HB THR 58 HB THR 58 -0.449 -10.929 -0.777 426 HG1 THR 58 1HG THR 58 0.150 -12.439 0.942 427 HG21 THR 58 1HG2 THR 58 -2.753 -11.518 -0.716 428 HG22 THR 58 2HG2 THR 58 -2.063 -12.030 0.825 429 HG23 THR 58 3HG2 THR 58 -2.380 -13.218 -0.439 430 H ARG 59 H ARG 59 1.514 -13.900 -1.998 431 HA ARG 59 HA ARG 59 3.222 -11.974 -3.431 432 HB2 ARG 59 1HB ARG 59 3.905 -13.924 -1.228 433 HB3 ARG 59 2HB ARG 59 5.109 -13.034 -2.150 434 HG2 ARG 59 1HG ARG 59 4.273 -10.939 -1.323 435 HG3 ARG 59 2HG ARG 59 2.931 -11.752 -0.515 436 HD2 ARG 59 1HD ARG 59 4.519 -12.939 0.920 437 HD3 ARG 59 2HD ARG 59 5.859 -12.129 0.109 438 HE ARG 59 HE ARG 59 4.020 -10.244 1.166 439 HH11 ARG 59 2HH1 ARG 59 6.563 -12.438 2.083 440 HH12 ARG 59 1HH1 ARG 59 7.019 -11.529 3.486 441 HH21 ARG 59 2HH2 ARG 59 4.611 -9.039 3.010 442 HH22 ARG 59 1HH2 ARG 59 5.908 -9.596 4.013 443 H ARG 60 H ARG 60 4.899 -12.828 -4.780 444 HA ARG 60 HA ARG 60 4.032 -15.005 -6.387 445 HB2 ARG 60 1HB ARG 60 5.502 -12.906 -6.973 446 HB3 ARG 60 2HB ARG 60 6.832 -13.957 -6.506 447 HG2 ARG 60 1HG ARG 60 4.790 -14.837 -8.512 448 HG3 ARG 60 2HG ARG 60 6.175 -13.848 -8.978 449 HD2 ARG 60 1HD ARG 60 7.565 -15.638 -7.728 450 HD3 ARG 60 2HD ARG 60 6.122 -16.638 -7.891 451 HE ARG 60 HE ARG 60 6.524 -15.782 -10.410 452 HH11 ARG 60 2HH1 ARG 60 8.631 -17.244 -8.054 453 HH12 ARG 60 1HH1 ARG 60 9.628 -18.023 -9.238 454 HH21 ARG 60 2HH2 ARG 60 7.830 -16.803 -11.977 455 HH22 ARG 60 1HH2 ARG 60 9.172 -17.771 -11.469 456 H ASN 61 H ASN 61 7.041 -14.609 -4.505 457 HA ASN 61 HA ASN 61 8.080 -17.114 -4.708 458 HB2 ASN 61 1HB ASN 61 8.887 -16.721 -2.271 459 HB3 ASN 61 2HB ASN 61 9.398 -15.593 -3.523 460 HD21 ASN 61 1HD2 ASN 61 8.452 -13.534 -3.610 461 HD22 ASN 61 2HD2 ASN 61 7.654 -12.853 -2.237 462 H THR 62 H THR 62 5.806 -16.078 -2.164 463 HA THR 62 HA THR 62 5.489 -18.430 -0.801 464 HB THR 62 HB THR 62 3.210 -16.565 -1.485 465 HG1 THR 62 1HG THR 62 5.015 -16.412 0.716 466 HG21 THR 62 1HG2 THR 62 3.390 -17.777 1.181 467 HG22 THR 62 2HG2 THR 62 3.124 -18.931 -0.126 468 HG23 THR 62 3HG2 THR 62 2.001 -17.592 0.111 469 H MET 63 H MET 63 3.670 -17.412 -3.688 470 HA MET 63 HA MET 63 2.109 -19.750 -3.891 471 HB2 MET 63 1HB MET 63 1.534 -17.650 -5.031 472 HB3 MET 63 2HB MET 63 2.946 -17.822 -6.065 473 HG2 MET 63 1HG MET 63 0.925 -20.007 -5.993 474 HG3 MET 63 2HG MET 63 0.577 -18.535 -6.896 475 HE1 MET 63 1HE MET 63 2.749 -18.648 -9.942 476 HE2 MET 63 2HE MET 63 1.136 -18.309 -9.315 477 HE3 MET 63 3HE MET 63 2.544 -17.520 -8.603 478 H ALA 64 H ALA 64 5.033 -18.768 -5.680 479 HA ALA 64 HA ALA 64 5.397 -20.975 -7.263 480 HB1 ALA 64 1HB ALA 64 6.792 -18.813 -7.065 481 HB2 ALA 64 2HB ALA 64 7.746 -19.723 -5.893 482 HB3 ALA 64 3HB ALA 64 7.600 -20.303 -7.552 483 H ARG 65 H ARG 65 6.660 -20.540 -3.958 484 HA ARG 65 HA ARG 65 7.863 -23.052 -3.717 485 HB2 ARG 65 1HB ARG 65 6.655 -21.285 -1.581 486 HB3 ARG 65 2HB ARG 65 7.686 -22.673 -1.263 487 HG2 ARG 65 1HG ARG 65 9.473 -21.548 -2.600 488 HG3 ARG 65 2HG ARG 65 8.438 -20.120 -2.663 489 HD2 ARG 65 1HD ARG 65 9.851 -19.708 -0.853 490 HD3 ARG 65 2HD ARG 65 8.368 -20.302 -0.106 491 HE ARG 65 HE ARG 65 9.493 -22.192 0.578 492 HH11 ARG 65 2HH1 ARG 65 11.459 -20.378 -1.649 493 HH12 ARG 65 1HH1 ARG 65 12.893 -21.300 -1.338 494 HH21 ARG 65 2HH2 ARG 65 11.374 -23.414 0.996 495 HH22 ARG 65 1HH2 ARG 65 12.843 -23.027 0.166 496 H HIS 66 H HIS 66 4.606 -21.982 -2.778 497 HA HIS 66 HA HIS 66 3.643 -24.251 -1.579 498 HB2 HIS 66 1HB HIS 66 2.177 -22.437 -1.561 499 HB3 HIS 66 2HB HIS 66 2.331 -22.169 -3.295 500 HD1 HIS 66 1HD HIS 66 0.853 -24.769 -0.946 501 HD2 HIS 66 2HD HIS 66 0.262 -23.164 -4.732 502 HE1 HIS 66 1HE HIS 66 -1.265 -25.823 -1.800 503 H ALA 67 H ALA 67 3.773 -23.555 -5.055 504 HA ALA 67 HA ALA 67 2.429 -25.703 -6.091 505 HB1 ALA 67 1HB ALA 67 4.457 -25.527 -7.865 506 HB2 ALA 67 2HB ALA 67 3.096 -24.407 -7.806 507 HB3 ALA 67 3HB ALA 67 4.622 -23.982 -7.030 508 H ASP 68 H ASP 68 5.844 -25.613 -5.108 509 HA ASP 68 HA ASP 68 6.646 -28.133 -5.851 510 HB2 ASP 68 1HB ASP 68 7.383 -26.506 -3.418 511 HB3 ASP 68 2HB ASP 68 8.187 -28.017 -3.833 512 H ASN 69 H ASN 69 4.974 -27.199 -2.863 513 HA ASN 69 HA ASN 69 4.705 -30.009 -2.116 514 HB2 ASN 69 1HB ASN 69 4.013 -27.459 -0.645 515 HB3 ASN 69 2HB ASN 69 3.724 -29.074 -0.006 516 HD21 ASN 69 1HD2 ASN 69 6.262 -26.952 -1.235 517 HD22 ASN 69 2HD2 ASN 69 7.527 -27.603 -0.253 518 H CYS 70 H CYS 70 3.113 -28.001 -4.097 519 HA CYS 70 HA CYS 70 0.402 -28.472 -3.255 520 HB2 CYS 70 1HB CYS 70 1.043 -26.440 -4.509 521 HB3 CYS 70 2HB CYS 70 1.458 -27.441 -5.897 522 H ALA 71 H ALA 71 -1.038 -29.950 -4.031 523 HA ALA 71 HA ALA 71 0.006 -31.945 -5.935 524 HB1 ALA 71 1HB ALA 71 -0.460 -33.626 -4.547 525 HB2 ALA 71 2HB ALA 71 -0.605 -32.402 -3.285 526 HB3 ALA 71 3HB ALA 71 -2.042 -32.961 -4.141 527 H GLY 72 H GLY 72 -1.374 -29.741 -6.852 528 HA2 GLY 72 1HA GLY 72 -3.050 -29.311 -8.375 529 HA3 GLY 72 2HA GLY 72 -3.547 -30.990 -8.225 530 HA PRO 73 HA PRO 73 -6.784 -28.223 -6.319 531 HB2 PRO 73 1HB PRO 73 -8.864 -29.250 -7.730 532 HB3 PRO 73 2HB PRO 73 -7.873 -27.910 -8.318 533 HG2 PRO 73 1HG PRO 73 -7.725 -30.820 -9.005 534 HG3 PRO 73 2HG PRO 73 -7.610 -29.411 -10.075 535 HD2 PRO 73 1HD PRO 73 -5.432 -30.776 -9.226 536 HD3 PRO 73 2HD PRO 73 -5.400 -29.030 -9.545 537 H ASP 74 H ASP 74 -6.348 -29.471 -4.406 538 HA ASP 74 HA ASP 74 -7.253 -32.128 -4.054 539 HB2 ASP 74 1HB ASP 74 -5.552 -31.202 -2.595 540 HB3 ASP 74 2HB ASP 74 -6.665 -29.960 -2.029 541 H GLY 75 H GLY 75 -8.598 -29.068 -2.792 542 HA2 GLY 75 1HA GLY 75 -10.962 -28.591 -3.049 543 HA3 GLY 75 2HA GLY 75 -11.267 -30.318 -2.934 544 H VAL 76 H VAL 76 -11.612 -27.523 -1.314 545 HA VAL 76 HA VAL 76 -12.214 -28.802 1.150 546 HB VAL 76 HB VAL 76 -9.702 -28.646 1.283 547 HG11 VAL 76 1HG1 VAL 76 -9.424 -26.507 0.149 548 HG12 VAL 76 2HG1 VAL 76 -10.283 -25.690 1.456 549 HG13 VAL 76 3HG1 VAL 76 -8.724 -26.455 1.766 550 HG21 VAL 76 1HG2 VAL 76 -11.691 -27.995 3.212 551 HG22 VAL 76 2HG2 VAL 76 -10.129 -28.776 3.459 552 HG23 VAL 76 3HG2 VAL 76 -10.257 -27.019 3.533 553 H GLU 77 H GLU 77 -13.713 -27.643 2.206 554 HA GLU 77 HA GLU 77 -15.130 -25.600 1.234 555 HB2 GLU 77 1HB GLU 77 -15.679 -26.755 3.334 556 HB3 GLU 77 2HB GLU 77 -14.390 -25.883 4.152 557 HG2 GLU 77 1HG GLU 77 -16.589 -24.930 4.617 558 HG3 GLU 77 2HG GLU 77 -15.532 -23.785 3.794 559 H GLY 78 H GLY 78 -12.211 -25.173 3.219 560 HA2 GLY 78 1HA GLY 78 -10.608 -23.475 2.884 561 HA3 GLY 78 2HA GLY 78 -11.788 -22.580 1.937 562 H GLU 79 H GLU 79 -10.300 -22.924 4.962 563 HA GLU 79 HA GLU 79 -12.227 -21.044 6.162 564 HB2 GLU 79 1HB GLU 79 -11.846 -23.440 7.168 565 HB3 GLU 79 2HB GLU 79 -10.388 -22.715 7.831 566 HG2 GLU 79 1HG GLU 79 -11.639 -21.120 9.065 567 HG3 GLU 79 2HG GLU 79 -13.132 -21.561 8.237 568 H ASN 80 H ASN 80 -11.486 -19.111 6.782 569 HA ASN 80 HA ASN 80 -8.823 -18.332 6.139 570 HB2 ASN 80 1HB ASN 80 -10.614 -16.731 5.894 571 HB3 ASN 80 2HB ASN 80 -11.041 -16.882 7.596 572 HD21 ASN 80 1HD2 ASN 80 -10.061 -15.616 9.045 573 HD22 ASN 80 2HD2 ASN 80 -8.775 -14.518 8.688 574 H SER 81 H SER 81 -7.107 -17.851 7.458 575 HA SER 81 HA SER 81 -7.343 -18.781 10.242 576 HB2 SER 81 1HB SER 81 -5.035 -18.829 8.301 577 HB3 SER 81 2HB SER 81 -4.797 -19.036 10.036 578 HG SER 81 HG SER 81 -6.496 -20.744 9.771 579 H GLY 82 H GLY 82 -7.719 -17.002 11.443 580 HA2 GLY 82 1HA GLY 82 -7.048 -14.394 10.991 581 HA3 GLY 82 2HA GLY 82 -7.170 -15.087 12.601 582 HA PRO 83 HA PRO 83 -2.684 -13.971 11.248 583 HB2 PRO 83 1HB PRO 83 -2.525 -11.379 12.038 584 HB3 PRO 83 2HB PRO 83 -2.982 -11.857 10.399 585 HG2 PRO 83 1HG PRO 83 -4.727 -11.042 12.690 586 HG3 PRO 83 2HG PRO 83 -4.837 -10.581 10.981 587 HD2 PRO 83 1HD PRO 83 -6.413 -12.489 12.081 588 HD3 PRO 83 2HD PRO 83 -5.880 -12.550 10.389 589 H SER 84 H SER 84 -1.000 -13.966 12.723 590 HA SER 84 HA SER 84 -1.347 -13.178 15.453 591 HB2 SER 84 1HB SER 84 -1.448 -16.092 14.711 592 HB3 SER 84 2HB SER 84 -0.816 -15.581 16.276 593 HG SER 84 HG SER 84 -2.817 -14.549 16.661 594 H SER 85 H SER 85 0.549 -12.261 15.834 595 HA SER 85 HA SER 85 2.786 -11.848 15.903 596 HB2 SER 85 1HB SER 85 2.685 -14.056 17.131 597 HB3 SER 85 2HB SER 85 3.131 -14.839 15.615 598 HG SER 85 HG SER 85 5.107 -14.004 15.741 599 H GLY 86 H GLY 86 1.624 -11.544 13.404 600 HA2 GLY 86 1HA GLY 86 2.779 -12.867 11.260 601 HA3 GLY 86 2HA GLY 86 2.248 -11.192 11.223 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -10.951 -12.058 -14.963 2 HA2 GLY 1 1HA GLY 1 -9.002 -11.762 -12.760 3 HA3 GLY 1 2HA GLY 1 -10.731 -11.917 -12.484 4 H SER 2 H SER 2 -10.923 -13.805 -11.436 5 HA SER 2 HA SER 2 -10.294 -16.230 -12.890 6 HB2 SER 2 1HB SER 2 -9.103 -15.706 -10.155 7 HB3 SER 2 2HB SER 2 -9.051 -17.247 -11.010 8 HG SER 2 HG SER 2 -7.152 -15.838 -11.222 9 H SER 3 H SER 3 -11.368 -18.092 -12.055 10 HA SER 3 HA SER 3 -13.925 -17.526 -10.967 11 HB2 SER 3 1HB SER 3 -12.476 -20.129 -11.480 12 HB3 SER 3 2HB SER 3 -14.138 -20.047 -10.894 13 HG SER 3 HG SER 3 -13.435 -18.586 -13.179 14 H GLY 4 H GLY 4 -13.579 -16.528 -8.958 15 HA2 GLY 4 1HA GLY 4 -12.132 -17.929 -6.879 16 HA3 GLY 4 2HA GLY 4 -12.976 -16.396 -6.715 17 H SER 5 H SER 5 -13.649 -17.371 -4.646 18 HA SER 5 HA SER 5 -15.737 -19.407 -4.903 19 HB2 SER 5 1HB SER 5 -15.552 -19.726 -2.539 20 HB3 SER 5 2HB SER 5 -13.907 -19.616 -3.166 21 HG SER 5 HG SER 5 -15.354 -17.463 -2.012 22 H SER 6 H SER 6 -17.847 -18.981 -4.645 23 HA SER 6 HA SER 6 -18.954 -16.509 -4.953 24 HB2 SER 6 1HB SER 6 -20.037 -18.982 -3.616 25 HB3 SER 6 2HB SER 6 -21.018 -17.527 -3.791 26 HG SER 6 HG SER 6 -19.971 -17.936 -6.140 27 H GLY 7 H GLY 7 -18.308 -14.798 -3.760 28 HA2 GLY 7 1HA GLY 7 -17.680 -14.830 -1.025 29 HA3 GLY 7 2HA GLY 7 -18.086 -13.397 -1.957 30 H ARG 8 H ARG 8 -18.957 -15.192 0.653 31 HA ARG 8 HA ARG 8 -21.753 -15.283 0.549 32 HB2 ARG 8 1HB ARG 8 -20.508 -16.480 2.253 33 HB3 ARG 8 2HB ARG 8 -19.909 -14.969 2.922 34 HG2 ARG 8 1HG ARG 8 -21.974 -14.408 3.832 35 HG3 ARG 8 2HG ARG 8 -22.844 -15.536 2.790 36 HD2 ARG 8 1HD ARG 8 -20.889 -16.381 4.922 37 HD3 ARG 8 2HD ARG 8 -22.629 -16.255 5.181 38 HE ARG 8 HE ARG 8 -22.501 -17.879 3.053 39 HH11 ARG 8 2HH1 ARG 8 -20.815 -17.905 6.099 40 HH12 ARG 8 1HH1 ARG 8 -20.641 -19.629 6.136 41 HH21 ARG 8 2HH2 ARG 8 -22.278 -20.149 3.090 42 HH22 ARG 8 1HH2 ARG 8 -21.472 -20.904 4.424 43 H THR 9 H THR 9 -22.927 -13.550 -0.002 44 HA THR 9 HA THR 9 -22.205 -10.886 0.823 45 HB THR 9 HB THR 9 -23.191 -11.104 -1.352 46 HG1 THR 9 1HG THR 9 -24.292 -9.327 -1.035 47 HG21 THR 9 1HG2 THR 9 -24.863 -13.015 -0.072 48 HG22 THR 9 2HG2 THR 9 -24.741 -12.640 -1.791 49 HG23 THR 9 3HG2 THR 9 -25.894 -11.772 -0.779 50 H HIS 10 H HIS 10 -22.560 -10.257 2.850 51 HA HIS 10 HA HIS 10 -25.159 -10.912 4.071 52 HB2 HIS 10 1HB HIS 10 -24.174 -11.303 6.174 53 HB3 HIS 10 2HB HIS 10 -23.126 -12.145 5.036 54 HD1 HIS 10 1HD HIS 10 -23.102 -9.600 7.655 55 HD2 HIS 10 2HD HIS 10 -20.658 -10.706 4.483 56 HE1 HIS 10 1HE HIS 10 -20.881 -8.511 8.106 57 H THR 11 H THR 11 -25.798 -9.375 5.800 58 HA THR 11 HA THR 11 -26.075 -6.814 4.961 59 HB THR 11 HB THR 11 -27.278 -7.710 6.901 60 HG1 THR 11 1HG THR 11 -27.518 -5.739 7.703 61 HG21 THR 11 1HG2 THR 11 -24.564 -7.939 7.965 62 HG22 THR 11 2HG2 THR 11 -26.035 -8.799 8.421 63 HG23 THR 11 3HG2 THR 11 -25.703 -7.203 9.092 64 H GLY 12 H GLY 12 -25.026 -4.853 5.200 65 HA2 GLY 12 1HA GLY 12 -22.969 -4.050 6.729 66 HA3 GLY 12 2HA GLY 12 -22.149 -5.041 5.531 67 H GLU 13 H GLU 13 -22.956 -1.958 6.280 68 HA GLU 13 HA GLU 13 -23.272 -1.106 3.490 69 HB2 GLU 13 1HB GLU 13 -23.894 1.083 4.423 70 HB3 GLU 13 2HB GLU 13 -24.918 -0.206 5.042 71 HG2 GLU 13 1HG GLU 13 -23.195 -0.224 7.008 72 HG3 GLU 13 2HG GLU 13 -22.847 1.409 6.443 73 H LYS 14 H LYS 14 -22.045 0.808 2.786 74 HA LYS 14 HA LYS 14 -19.382 0.930 4.043 75 HB2 LYS 14 1HB LYS 14 -20.100 0.913 1.110 76 HB3 LYS 14 2HB LYS 14 -18.511 1.366 1.712 77 HG2 LYS 14 1HG LYS 14 -18.013 -0.786 2.403 78 HG3 LYS 14 2HG LYS 14 -19.711 -1.267 2.460 79 HD2 LYS 14 1HD LYS 14 -19.831 -1.204 0.032 80 HD3 LYS 14 2HD LYS 14 -18.157 -0.649 -0.054 81 HE2 LYS 14 1HE LYS 14 -18.916 -3.232 1.281 82 HE3 LYS 14 2HE LYS 14 -18.603 -3.135 -0.452 83 HZ1 LYS 14 1HZ LYS 14 -16.693 -3.729 1.165 84 HZ2 LYS 14 2HZ LYS 14 -16.627 -2.062 1.445 85 HZ3 LYS 14 3HZ LYS 14 -16.392 -2.667 -0.117 86 HA PRO 15 HA PRO 15 -20.720 5.218 4.327 87 HB2 PRO 15 1HB PRO 15 -18.718 5.966 6.001 88 HB3 PRO 15 2HB PRO 15 -20.167 5.118 6.555 89 HG2 PRO 15 1HG PRO 15 -17.443 4.026 5.963 90 HG3 PRO 15 2HG PRO 15 -18.526 3.658 7.319 91 HD2 PRO 15 1HD PRO 15 -18.281 2.034 5.166 92 HD3 PRO 15 2HD PRO 15 -19.801 2.202 6.068 93 H TYR 16 H TYR 16 -17.431 4.073 3.702 94 HA TYR 16 HA TYR 16 -16.550 6.572 2.602 95 HB2 TYR 16 1HB TYR 16 -15.272 3.846 2.319 96 HB3 TYR 16 2HB TYR 16 -14.497 5.406 2.069 97 HD1 TYR 16 2HD TYR 16 -16.009 3.211 4.642 98 HD2 TYR 16 1HD TYR 16 -13.543 6.592 3.876 99 HE1 TYR 16 2HE TYR 16 -15.331 3.244 7.006 100 HE2 TYR 16 1HE TYR 16 -12.856 6.634 6.237 101 HH TYR 16 HH TYR 16 -13.596 4.061 8.411 102 H ALA 17 H ALA 17 -17.685 7.211 0.845 103 HA ALA 17 HA ALA 17 -17.927 5.317 -1.397 104 HB1 ALA 17 1HB ALA 17 -19.563 7.718 -0.630 105 HB2 ALA 17 2HB ALA 17 -19.656 6.983 -2.231 106 HB3 ALA 17 3HB ALA 17 -20.084 6.041 -0.802 107 H CYS 18 H CYS 18 -16.596 5.605 -3.050 108 HA CYS 18 HA CYS 18 -14.728 7.659 -3.253 109 HB2 CYS 18 1HB CYS 18 -14.789 5.354 -4.420 110 HB3 CYS 18 2HB CYS 18 -15.743 6.164 -5.659 111 H SER 19 H SER 19 -14.569 9.493 -4.548 112 HA SER 19 HA SER 19 -17.132 10.722 -5.192 113 HB2 SER 19 1HB SER 19 -14.331 11.780 -4.875 114 HB3 SER 19 2HB SER 19 -15.604 12.763 -5.597 115 HG SER 19 HG SER 19 -16.823 12.249 -3.615 116 H HIS 20 H HIS 20 -14.134 9.741 -6.757 117 HA HIS 20 HA HIS 20 -14.603 10.882 -9.279 118 HB2 HIS 20 1HB HIS 20 -12.905 8.641 -8.264 119 HB3 HIS 20 2HB HIS 20 -13.109 8.827 -10.004 120 HD1 HIS 20 1HD HIS 20 -12.496 11.418 -7.278 121 HD2 HIS 20 2HD HIS 20 -10.885 10.088 -10.869 122 HE1 HIS 20 1HE HIS 20 -10.557 12.948 -7.753 123 H CYS 21 H CYS 21 -15.434 7.693 -7.972 124 HA CYS 21 HA CYS 21 -17.309 7.360 -10.219 125 HB2 CYS 21 1HB CYS 21 -16.867 4.983 -10.246 126 HB3 CYS 21 2HB CYS 21 -15.343 5.848 -10.418 127 H ASP 22 H ASP 22 -18.757 5.267 -9.509 128 HA ASP 22 HA ASP 22 -20.048 6.152 -7.033 129 HB2 ASP 22 1HB ASP 22 -21.228 5.848 -9.360 130 HB3 ASP 22 2HB ASP 22 -21.262 4.148 -8.899 131 H LYS 23 H LYS 23 -17.812 4.824 -6.434 132 HA LYS 23 HA LYS 23 -18.667 2.084 -5.776 133 HB2 LYS 23 1HB LYS 23 -15.946 3.303 -6.187 134 HB3 LYS 23 2HB LYS 23 -16.147 1.783 -5.325 135 HG2 LYS 23 1HG LYS 23 -17.434 2.031 -7.984 136 HG3 LYS 23 2HG LYS 23 -15.676 1.885 -7.927 137 HD2 LYS 23 1HD LYS 23 -16.016 -0.130 -6.442 138 HD3 LYS 23 2HD LYS 23 -17.731 -0.033 -6.846 139 HE2 LYS 23 1HE LYS 23 -17.266 -0.377 -9.170 140 HE3 LYS 23 2HE LYS 23 -15.530 -0.246 -8.893 141 HZ1 LYS 23 1HZ LYS 23 -16.223 -2.548 -9.136 142 HZ2 LYS 23 2HZ LYS 23 -17.288 -2.392 -7.831 143 HZ3 LYS 23 3HZ LYS 23 -15.619 -2.269 -7.580 144 H THR 24 H THR 24 -18.349 1.292 -3.672 145 HA THR 24 HA THR 24 -17.768 3.325 -1.623 146 HB THR 24 HB THR 24 -19.519 2.313 -0.186 147 HG1 THR 24 1HG THR 24 -19.950 0.778 -2.528 148 HG21 THR 24 1HG2 THR 24 -21.300 3.511 -1.113 149 HG22 THR 24 2HG2 THR 24 -20.801 3.153 -2.767 150 HG23 THR 24 3HG2 THR 24 -19.876 4.296 -1.794 151 H PHE 25 H PHE 25 -17.036 2.477 0.422 152 HA PHE 25 HA PHE 25 -16.218 -0.312 0.499 153 HB2 PHE 25 1HB PHE 25 -14.132 1.824 0.918 154 HB3 PHE 25 2HB PHE 25 -13.894 0.088 0.750 155 HD1 PHE 25 1HD PHE 25 -15.005 3.102 -1.107 156 HD2 PHE 25 2HD PHE 25 -13.425 -0.844 -1.328 157 HE1 PHE 25 1HE PHE 25 -14.618 3.396 -3.520 158 HE2 PHE 25 2HE PHE 25 -13.035 -0.557 -3.740 159 HZ PHE 25 HZ PHE 25 -13.631 1.565 -4.839 160 H ARG 26 H ARG 26 -15.675 -1.052 2.588 161 HA ARG 26 HA ARG 26 -16.974 0.412 4.697 162 HB2 ARG 26 1HB ARG 26 -16.393 -1.559 6.086 163 HB3 ARG 26 2HB ARG 26 -17.246 -1.988 4.609 164 HG2 ARG 26 1HG ARG 26 -14.831 -2.321 3.665 165 HG3 ARG 26 2HG ARG 26 -14.410 -2.474 5.372 166 HD2 ARG 26 1HD ARG 26 -16.752 -4.012 4.414 167 HD3 ARG 26 2HD ARG 26 -15.164 -4.550 3.869 168 HE ARG 26 HE ARG 26 -14.743 -4.346 6.480 169 HH11 ARG 26 2HH1 ARG 26 -17.427 -5.722 4.741 170 HH12 ARG 26 1HH1 ARG 26 -17.789 -6.892 5.965 171 HH21 ARG 26 2HH2 ARG 26 -15.210 -5.883 8.100 172 HH22 ARG 26 1HH2 ARG 26 -16.528 -6.982 7.876 173 H GLN 27 H GLN 27 -13.658 -0.695 4.050 174 HA GLN 27 HA GLN 27 -12.699 1.012 6.234 175 HB2 GLN 27 1HB GLN 27 -11.413 -1.248 4.706 176 HB3 GLN 27 2HB GLN 27 -10.511 -0.209 5.801 177 HG2 GLN 27 1HG GLN 27 -12.971 -1.606 6.753 178 HG3 GLN 27 2HG GLN 27 -11.441 -2.475 6.640 179 HE21 GLN 27 1HE2 GLN 27 -12.984 0.364 8.045 180 HE22 GLN 27 2HE2 GLN 27 -11.964 0.455 9.436 181 H LYS 28 H LYS 28 -11.738 2.888 5.828 182 HA LYS 28 HA LYS 28 -11.670 4.192 3.448 183 HB2 LYS 28 1HB LYS 28 -11.203 5.363 5.495 184 HB3 LYS 28 2HB LYS 28 -9.737 4.427 5.757 185 HG2 LYS 28 1HG LYS 28 -8.669 5.480 3.876 186 HG3 LYS 28 2HG LYS 28 -10.160 6.329 3.462 187 HD2 LYS 28 1HD LYS 28 -9.926 7.187 5.960 188 HD3 LYS 28 2HD LYS 28 -8.222 6.840 5.659 189 HE2 LYS 28 1HE LYS 28 -8.516 9.096 5.061 190 HE3 LYS 28 2HE LYS 28 -8.470 8.210 3.537 191 HZ1 LYS 28 1HZ LYS 28 -10.318 9.398 3.133 192 HZ2 LYS 28 2HZ LYS 28 -10.659 9.663 4.769 193 HZ3 LYS 28 3HZ LYS 28 -11.082 8.194 4.045 194 H GLN 29 H GLN 29 -9.085 2.155 4.771 195 HA GLN 29 HA GLN 29 -7.076 2.536 2.971 196 HB2 GLN 29 1HB GLN 29 -6.761 1.036 4.809 197 HB3 GLN 29 2HB GLN 29 -8.027 -0.038 4.228 198 HG2 GLN 29 1HG GLN 29 -6.198 -1.195 3.547 199 HG3 GLN 29 2HG GLN 29 -6.460 -0.194 2.120 200 HE21 GLN 29 1HE2 GLN 29 -4.361 -0.976 4.696 201 HE22 GLN 29 2HE2 GLN 29 -3.092 0.128 4.301 202 H LEU 30 H LEU 30 -9.865 0.375 2.553 203 HA LEU 30 HA LEU 30 -9.186 -0.695 0.078 204 HB2 LEU 30 1HB LEU 30 -11.711 -0.278 1.574 205 HB3 LEU 30 2HB LEU 30 -11.843 -0.651 -0.144 206 HG LEU 30 HG LEU 30 -10.590 -2.734 0.228 207 HD11 LEU 30 1HD1 LEU 30 -10.878 -2.348 3.175 208 HD12 LEU 30 2HD1 LEU 30 -9.465 -1.713 2.335 209 HD13 LEU 30 3HD1 LEU 30 -9.818 -3.440 2.283 210 HD21 LEU 30 1HD2 LEU 30 -13.160 -2.407 0.534 211 HD22 LEU 30 2HD2 LEU 30 -12.806 -2.736 2.230 212 HD23 LEU 30 3HD2 LEU 30 -12.402 -3.931 0.996 213 H LEU 31 H LEU 31 -11.395 2.041 0.694 214 HA LEU 31 HA LEU 31 -11.751 2.792 -1.964 215 HB2 LEU 31 1HB LEU 31 -13.221 3.698 -0.375 216 HB3 LEU 31 2HB LEU 31 -11.900 4.314 0.617 217 HG LEU 31 HG LEU 31 -11.444 6.047 -1.020 218 HD11 LEU 31 1HD1 LEU 31 -13.774 4.930 -2.572 219 HD12 LEU 31 2HD1 LEU 31 -12.077 4.766 -3.023 220 HD13 LEU 31 3HD1 LEU 31 -12.826 6.361 -2.978 221 HD21 LEU 31 1HD2 LEU 31 -13.885 7.068 -0.985 222 HD22 LEU 31 2HD2 LEU 31 -12.913 6.934 0.481 223 HD23 LEU 31 3HD2 LEU 31 -14.161 5.735 0.138 224 H ASP 32 H ASP 32 -9.097 3.342 0.196 225 HA ASP 32 HA ASP 32 -7.924 5.507 -1.254 226 HB2 ASP 32 1HB ASP 32 -7.518 4.841 1.198 227 HB3 ASP 32 2HB ASP 32 -6.420 3.624 0.551 228 H MET 33 H MET 33 -7.176 2.032 -1.018 229 HA MET 33 HA MET 33 -5.135 2.111 -2.993 230 HB2 MET 33 1HB MET 33 -5.138 -0.291 -2.857 231 HB3 MET 33 2HB MET 33 -5.333 0.355 -1.233 232 HG2 MET 33 1HG MET 33 -7.492 -0.372 -1.049 233 HG3 MET 33 2HG MET 33 -7.767 -0.337 -2.789 234 HE1 MET 33 1HE MET 33 -8.349 -4.054 -1.638 235 HE2 MET 33 2HE MET 33 -8.125 -2.969 -0.265 236 HE3 MET 33 3HE MET 33 -9.071 -2.444 -1.659 237 H HIS 34 H HIS 34 -8.593 1.660 -3.084 238 HA HIS 34 HA HIS 34 -8.850 0.494 -5.618 239 HB2 HIS 34 1HB HIS 34 -10.856 0.452 -4.516 240 HB3 HIS 34 2HB HIS 34 -10.623 2.047 -3.806 241 HD1 HIS 34 1HD HIS 34 -11.847 0.362 -6.929 242 HD2 HIS 34 2HD HIS 34 -11.672 4.165 -5.264 243 HE1 HIS 34 1HE HIS 34 -13.305 1.802 -8.387 244 H PHE 35 H PHE 35 -8.668 3.889 -4.632 245 HA PHE 35 HA PHE 35 -9.127 4.996 -7.186 246 HB2 PHE 35 1HB PHE 35 -9.297 6.262 -5.050 247 HB3 PHE 35 2HB PHE 35 -7.543 6.193 -4.904 248 HD1 PHE 35 2HD PHE 35 -6.216 7.134 -6.956 249 HD2 PHE 35 1HD PHE 35 -10.264 8.090 -6.052 250 HE1 PHE 35 2HE PHE 35 -6.024 9.192 -8.289 251 HE2 PHE 35 1HE PHE 35 -10.079 10.150 -7.385 252 HZ PHE 35 HZ PHE 35 -7.956 10.704 -8.505 253 H LYS 36 H LYS 36 -6.067 4.619 -5.391 254 HA LYS 36 HA LYS 36 -4.399 5.364 -7.529 255 HB2 LYS 36 1HB LYS 36 -3.999 3.926 -4.941 256 HB3 LYS 36 2HB LYS 36 -2.700 3.906 -6.126 257 HG2 LYS 36 1HG LYS 36 -2.396 6.214 -6.012 258 HG3 LYS 36 2HG LYS 36 -3.971 6.476 -5.260 259 HD2 LYS 36 1HD LYS 36 -1.784 4.915 -3.910 260 HD3 LYS 36 2HD LYS 36 -1.926 6.668 -3.754 261 HE2 LYS 36 1HE LYS 36 -3.830 6.538 -2.500 262 HE3 LYS 36 2HE LYS 36 -4.350 5.029 -3.248 263 HZ1 LYS 36 1HZ LYS 36 -1.930 4.915 -1.635 264 HZ2 LYS 36 2HZ LYS 36 -3.188 3.794 -1.780 265 HZ3 LYS 36 3HZ LYS 36 -3.378 5.156 -0.795 266 H ARG 37 H ARG 37 -6.311 2.655 -7.190 267 HA ARG 37 HA ARG 37 -4.536 0.891 -8.696 268 HB2 ARG 37 1HB ARG 37 -5.759 -0.073 -6.808 269 HB3 ARG 37 2HB ARG 37 -7.286 0.408 -7.537 270 HG2 ARG 37 1HG ARG 37 -7.126 -1.190 -9.222 271 HG3 ARG 37 2HG ARG 37 -5.393 -1.410 -8.976 272 HD2 ARG 37 1HD ARG 37 -6.419 -3.321 -8.052 273 HD3 ARG 37 2HD ARG 37 -5.970 -2.307 -6.681 274 HE ARG 37 HE ARG 37 -8.537 -1.587 -7.224 275 HH11 ARG 37 2HH1 ARG 37 -6.937 -4.609 -6.570 276 HH12 ARG 37 1HH1 ARG 37 -8.326 -5.334 -5.831 277 HH21 ARG 37 2HH2 ARG 37 -10.373 -2.531 -6.254 278 HH22 ARG 37 1HH2 ARG 37 -10.280 -4.152 -5.653 279 H TYR 38 H TYR 38 -7.947 1.916 -8.952 280 HA TYR 38 HA TYR 38 -8.004 1.278 -11.761 281 HB2 TYR 38 1HB TYR 38 -10.013 2.449 -9.847 282 HB3 TYR 38 2HB TYR 38 -10.335 2.336 -11.574 283 HD1 TYR 38 1HD TYR 38 -9.172 0.176 -8.751 284 HD2 TYR 38 2HD TYR 38 -11.431 0.458 -12.346 285 HE1 TYR 38 1HE TYR 38 -9.929 -2.145 -8.451 286 HE2 TYR 38 2HE TYR 38 -12.195 -1.862 -12.055 287 HH TYR 38 HH TYR 38 -10.787 -3.994 -9.824 288 H HIS 39 H HIS 39 -8.822 4.291 -10.034 289 HA HIS 39 HA HIS 39 -8.672 5.970 -12.248 290 HB2 HIS 39 1HB HIS 39 -8.156 6.615 -9.338 291 HB3 HIS 39 2HB HIS 39 -8.421 7.814 -10.601 292 HD1 HIS 39 1HD HIS 39 -10.847 6.935 -12.020 293 HD2 HIS 39 2HD HIS 39 -10.436 6.441 -7.915 294 HE1 HIS 39 1HE HIS 39 -13.190 6.730 -11.130 295 H ASP 40 H ASP 40 -6.171 4.409 -10.564 296 HA ASP 40 HA ASP 40 -4.184 5.957 -12.066 297 HB2 ASP 40 1HB ASP 40 -4.446 6.477 -9.466 298 HB3 ASP 40 2HB ASP 40 -3.430 5.044 -9.331 299 HA PRO 41 HA PRO 41 -3.147 1.769 -13.186 300 HB2 PRO 41 1HB PRO 41 -1.151 2.436 -14.901 301 HB3 PRO 41 2HB PRO 41 -2.863 2.573 -15.320 302 HG2 PRO 41 1HG PRO 41 -0.960 4.696 -14.407 303 HG3 PRO 41 2HG PRO 41 -2.177 4.763 -15.695 304 HD2 PRO 41 1HD PRO 41 -2.593 5.830 -13.241 305 HD3 PRO 41 2HD PRO 41 -3.905 5.136 -14.215 306 H ASN 42 H ASN 42 -1.450 3.917 -11.291 307 HA ASN 42 HA ASN 42 1.126 2.751 -11.227 308 HB2 ASN 42 1HB ASN 42 -0.410 4.640 -9.519 309 HB3 ASN 42 2HB ASN 42 0.974 3.837 -8.783 310 HD21 ASN 42 1HD2 ASN 42 -0.014 6.467 -10.519 311 HD22 ASN 42 2HD2 ASN 42 1.511 6.972 -11.154 312 H PHE 43 H PHE 43 -1.343 2.616 -8.658 313 HA PHE 43 HA PHE 43 -0.197 0.447 -7.310 314 HB2 PHE 43 1HB PHE 43 -1.912 2.043 -6.389 315 HB3 PHE 43 2HB PHE 43 -3.130 1.176 -7.318 316 HD1 PHE 43 1HD PHE 43 -3.038 -1.473 -6.941 317 HD2 PHE 43 2HD PHE 43 -1.675 1.473 -4.187 318 HE1 PHE 43 1HE PHE 43 -3.301 -3.080 -5.096 319 HE2 PHE 43 2HE PHE 43 -1.935 -0.129 -2.339 320 HZ PHE 43 HZ PHE 43 -2.748 -2.409 -2.792 321 H VAL 44 H VAL 44 -0.198 -1.676 -7.667 322 HA VAL 44 HA VAL 44 -2.221 -2.817 -9.468 323 HB VAL 44 HB VAL 44 -0.220 -2.524 -10.812 324 HG11 VAL 44 1HG1 VAL 44 1.370 -4.418 -9.176 325 HG12 VAL 44 2HG1 VAL 44 1.898 -3.074 -10.189 326 HG13 VAL 44 3HG1 VAL 44 1.223 -2.762 -8.590 327 HG21 VAL 44 1HG2 VAL 44 -1.661 -4.609 -10.970 328 HG22 VAL 44 2HG2 VAL 44 -0.046 -4.713 -11.670 329 HG23 VAL 44 3HG2 VAL 44 -0.374 -5.440 -10.097 330 HA PRO 45 HA PRO 45 -2.526 -5.565 -5.967 331 HB2 PRO 45 1HB PRO 45 -4.532 -7.081 -6.990 332 HB3 PRO 45 2HB PRO 45 -4.799 -5.479 -6.292 333 HG2 PRO 45 1HG PRO 45 -4.549 -6.274 -9.167 334 HG3 PRO 45 2HG PRO 45 -5.696 -5.151 -8.412 335 HD2 PRO 45 1HD PRO 45 -3.495 -4.308 -9.746 336 HD3 PRO 45 2HD PRO 45 -4.166 -3.428 -8.358 337 H ALA 46 H ALA 46 -1.351 -7.322 -5.540 338 HA ALA 46 HA ALA 46 -0.066 -8.785 -7.635 339 HB1 ALA 46 1HB ALA 46 0.321 -10.196 -5.266 340 HB2 ALA 46 2HB ALA 46 1.400 -8.995 -5.977 341 HB3 ALA 46 3HB ALA 46 0.205 -8.506 -4.777 342 H ALA 47 H ALA 47 -1.120 -10.246 -8.808 343 HA ALA 47 HA ALA 47 -2.957 -12.089 -7.420 344 HB1 ALA 47 1HB ALA 47 -3.934 -10.392 -9.103 345 HB2 ALA 47 2HB ALA 47 -3.229 -11.444 -10.331 346 HB3 ALA 47 3HB ALA 47 -4.433 -12.080 -9.210 347 H PHE 48 H PHE 48 -1.823 -13.917 -7.158 348 HA PHE 48 HA PHE 48 -0.514 -15.058 -9.536 349 HB2 PHE 48 1HB PHE 48 0.428 -15.266 -6.668 350 HB3 PHE 48 2HB PHE 48 1.168 -16.076 -8.046 351 HD1 PHE 48 2HD PHE 48 0.499 -12.785 -6.518 352 HD2 PHE 48 1HD PHE 48 2.686 -14.952 -9.457 353 HE1 PHE 48 2HE PHE 48 1.928 -10.819 -6.899 354 HE2 PHE 48 1HE PHE 48 4.119 -12.989 -9.843 355 HZ PHE 48 HZ PHE 48 3.740 -10.919 -8.564 356 H VAL 49 H VAL 49 -1.662 -16.746 -10.190 357 HA VAL 49 HA VAL 49 -3.036 -18.401 -8.187 358 HB VAL 49 HB VAL 49 -3.544 -17.925 -11.109 359 HG11 VAL 49 1HG1 VAL 49 -3.581 -20.349 -10.769 360 HG12 VAL 49 2HG1 VAL 49 -4.727 -20.144 -9.442 361 HG13 VAL 49 3HG1 VAL 49 -5.195 -19.716 -11.088 362 HG21 VAL 49 1HG2 VAL 49 -5.146 -17.650 -8.579 363 HG22 VAL 49 2HG2 VAL 49 -4.679 -16.389 -9.720 364 HG23 VAL 49 3HG2 VAL 49 -5.881 -17.594 -10.181 365 H CYS 50 H CYS 50 -2.750 -20.606 -8.103 366 HA CYS 50 HA CYS 50 -0.231 -21.600 -8.992 367 HB2 CYS 50 1HB CYS 50 -1.576 -22.254 -6.883 368 HB3 CYS 50 2HB CYS 50 -2.467 -23.326 -7.958 369 H SER 51 H SER 51 0.268 -22.977 -10.631 370 HA SER 51 HA SER 51 -1.787 -23.339 -12.677 371 HB2 SER 51 1HB SER 51 1.192 -23.262 -12.666 372 HB3 SER 51 2HB SER 51 0.405 -24.232 -13.911 373 HG SER 51 HG SER 51 -0.492 -22.457 -14.757 374 H LYS 52 H LYS 52 -0.725 -25.026 -10.100 375 HA LYS 52 HA LYS 52 -0.741 -27.647 -11.397 376 HB2 LYS 52 1HB LYS 52 -0.141 -26.806 -8.558 377 HB3 LYS 52 2HB LYS 52 -0.161 -28.479 -9.101 378 HG2 LYS 52 1HG LYS 52 1.625 -27.932 -10.720 379 HG3 LYS 52 2HG LYS 52 1.685 -26.298 -10.054 380 HD2 LYS 52 1HD LYS 52 2.501 -27.048 -7.991 381 HD3 LYS 52 2HD LYS 52 2.014 -28.716 -8.304 382 HE2 LYS 52 1HE LYS 52 4.020 -27.401 -10.084 383 HE3 LYS 52 2HE LYS 52 4.523 -28.007 -8.507 384 HZ1 LYS 52 1HZ LYS 52 4.412 -30.107 -9.206 385 HZ2 LYS 52 2HZ LYS 52 4.386 -29.473 -10.774 386 HZ3 LYS 52 3HZ LYS 52 2.936 -29.881 -10.002 387 H CYS 53 H CYS 53 -2.313 -26.091 -8.596 388 HA CYS 53 HA CYS 53 -4.554 -27.964 -8.897 389 HB2 CYS 53 1HB CYS 53 -5.179 -27.314 -6.615 390 HB3 CYS 53 2HB CYS 53 -3.516 -27.889 -6.677 391 H GLY 54 H GLY 54 -3.809 -24.515 -8.576 392 HA2 GLY 54 1HA GLY 54 -5.007 -22.944 -9.989 393 HA3 GLY 54 2HA GLY 54 -6.438 -23.945 -9.789 394 H LYS 55 H LYS 55 -4.224 -22.984 -7.224 395 HA LYS 55 HA LYS 55 -6.460 -21.806 -5.781 396 HB2 LYS 55 1HB LYS 55 -3.699 -22.697 -5.057 397 HB3 LYS 55 2HB LYS 55 -4.517 -21.535 -4.020 398 HG2 LYS 55 1HG LYS 55 -6.221 -23.048 -3.478 399 HG3 LYS 55 2HG LYS 55 -5.803 -24.126 -4.812 400 HD2 LYS 55 1HD LYS 55 -3.637 -24.589 -3.691 401 HD3 LYS 55 2HD LYS 55 -4.173 -23.606 -2.326 402 HE2 LYS 55 1HE LYS 55 -5.945 -25.805 -3.254 403 HE3 LYS 55 2HE LYS 55 -4.483 -26.238 -2.370 404 HZ1 LYS 55 1HZ LYS 55 -5.272 -25.372 -0.459 405 HZ2 LYS 55 2HZ LYS 55 -6.774 -25.672 -1.178 406 HZ3 LYS 55 3HZ LYS 55 -6.111 -24.116 -1.222 407 H THR 56 H THR 56 -5.666 -19.823 -4.344 408 HA THR 56 HA THR 56 -4.437 -17.873 -6.184 409 HB THR 56 HB THR 56 -5.878 -16.159 -4.945 410 HG1 THR 56 1HG THR 56 -7.926 -17.341 -4.253 411 HG21 THR 56 1HG2 THR 56 -7.970 -17.473 -6.280 412 HG22 THR 56 2HG2 THR 56 -6.491 -17.926 -7.129 413 HG23 THR 56 3HG2 THR 56 -6.904 -16.224 -6.922 414 H PHE 57 H PHE 57 -2.941 -16.474 -5.366 415 HA PHE 57 HA PHE 57 -2.400 -16.562 -2.483 416 HB2 PHE 57 1HB PHE 57 -0.383 -16.988 -4.692 417 HB3 PHE 57 2HB PHE 57 0.062 -16.619 -3.029 418 HD1 PHE 57 1HD PHE 57 -1.653 -19.095 -5.173 419 HD2 PHE 57 2HD PHE 57 0.129 -18.298 -1.391 420 HE1 PHE 57 1HE PHE 57 -1.765 -21.490 -4.619 421 HE2 PHE 57 2HE PHE 57 0.020 -20.691 -0.831 422 HZ PHE 57 HZ PHE 57 -0.927 -22.291 -2.446 423 H THR 58 H THR 58 -0.833 -14.810 -1.833 424 HA THR 58 HA THR 58 -1.518 -12.357 -3.295 425 HB THR 58 HB THR 58 -0.572 -12.722 -0.446 426 HG1 THR 58 1HG THR 58 -2.686 -12.213 0.071 427 HG21 THR 58 1HG2 THR 58 -1.400 -10.206 -1.899 428 HG22 THR 58 2HG2 THR 58 0.241 -10.614 -1.396 429 HG23 THR 58 3HG2 THR 58 -1.008 -10.328 -0.184 430 H ARG 59 H ARG 59 1.189 -14.163 -1.947 431 HA ARG 59 HA ARG 59 3.042 -12.270 -3.231 432 HB2 ARG 59 1HB ARG 59 3.183 -12.745 -0.707 433 HB3 ARG 59 2HB ARG 59 3.816 -14.320 -1.168 434 HG2 ARG 59 1HG ARG 59 5.668 -13.262 -2.328 435 HG3 ARG 59 2HG ARG 59 5.020 -11.668 -1.932 436 HD2 ARG 59 1HD ARG 59 5.141 -12.556 0.523 437 HD3 ARG 59 2HD ARG 59 6.306 -13.694 -0.155 438 HE ARG 59 HE ARG 59 7.226 -11.337 -1.051 439 HH11 ARG 59 2HH1 ARG 59 6.245 -12.412 2.111 440 HH12 ARG 59 1HH1 ARG 59 7.338 -11.362 2.951 441 HH21 ARG 59 2HH2 ARG 59 8.669 -9.949 0.043 442 HH22 ARG 59 1HH2 ARG 59 8.715 -9.960 1.773 443 H ARG 60 H ARG 60 4.420 -12.956 -4.781 444 HA ARG 60 HA ARG 60 3.889 -15.346 -6.164 445 HB2 ARG 60 1HB ARG 60 4.891 -13.259 -7.139 446 HB3 ARG 60 2HB ARG 60 6.403 -13.682 -6.346 447 HG2 ARG 60 1HG ARG 60 6.025 -15.957 -7.642 448 HG3 ARG 60 2HG ARG 60 5.084 -14.905 -8.703 449 HD2 ARG 60 1HD ARG 60 7.889 -14.240 -7.851 450 HD3 ARG 60 2HD ARG 60 7.546 -15.227 -9.271 451 HE ARG 60 HE ARG 60 7.137 -12.379 -8.984 452 HH11 ARG 60 2HH1 ARG 60 6.398 -15.260 -10.793 453 HH12 ARG 60 1HH1 ARG 60 5.952 -14.401 -12.229 454 HH21 ARG 60 2HH2 ARG 60 6.551 -11.236 -10.869 455 HH22 ARG 60 1HH2 ARG 60 6.040 -12.112 -12.272 456 H ASN 61 H ASN 61 6.839 -14.427 -4.374 457 HA ASN 61 HA ASN 61 8.225 -16.770 -4.481 458 HB2 ASN 61 1HB ASN 61 8.017 -15.181 -1.924 459 HB3 ASN 61 2HB ASN 61 9.403 -16.083 -2.533 460 HD21 ASN 61 1HD2 ASN 61 8.371 -13.097 -2.002 461 HD22 ASN 61 2HD2 ASN 61 9.178 -12.242 -3.267 462 H THR 62 H THR 62 5.582 -15.979 -2.269 463 HA THR 62 HA THR 62 5.717 -18.307 -0.696 464 HB THR 62 HB THR 62 3.262 -16.654 -1.321 465 HG1 THR 62 1HG THR 62 4.128 -16.000 1.020 466 HG21 THR 62 1HG2 THR 62 3.898 -18.531 0.958 467 HG22 THR 62 2HG2 THR 62 2.684 -18.772 -0.298 468 HG23 THR 62 3HG2 THR 62 2.487 -17.478 0.882 469 H MET 63 H MET 63 3.680 -17.530 -3.513 470 HA MET 63 HA MET 63 2.363 -20.009 -3.639 471 HB2 MET 63 1HB MET 63 1.504 -18.069 -4.812 472 HB3 MET 63 2HB MET 63 2.947 -17.995 -5.815 473 HG2 MET 63 1HG MET 63 1.244 -20.445 -5.822 474 HG3 MET 63 2HG MET 63 0.769 -19.028 -6.755 475 HE1 MET 63 1HE MET 63 1.684 -19.299 -9.645 476 HE2 MET 63 2HE MET 63 1.809 -18.011 -8.447 477 HE3 MET 63 3HE MET 63 3.231 -18.498 -9.370 478 H ALA 64 H ALA 64 5.113 -18.800 -5.563 479 HA ALA 64 HA ALA 64 5.695 -20.882 -7.164 480 HB1 ALA 64 1HB ALA 64 8.186 -20.175 -6.031 481 HB2 ALA 64 2HB ALA 64 7.468 -19.605 -7.538 482 HB3 ALA 64 3HB ALA 64 7.177 -18.728 -6.036 483 H ARG 65 H ARG 65 6.783 -20.661 -3.776 484 HA ARG 65 HA ARG 65 8.014 -23.183 -3.683 485 HB2 ARG 65 1HB ARG 65 6.777 -21.555 -1.456 486 HB3 ARG 65 2HB ARG 65 7.818 -22.953 -1.218 487 HG2 ARG 65 1HG ARG 65 9.547 -21.657 -2.597 488 HG3 ARG 65 2HG ARG 65 8.523 -20.251 -2.296 489 HD2 ARG 65 1HD ARG 65 8.738 -20.586 0.103 490 HD3 ARG 65 2HD ARG 65 9.706 -22.034 -0.170 491 HE ARG 65 HE ARG 65 10.766 -19.629 -1.363 492 HH11 ARG 65 2HH1 ARG 65 10.697 -21.682 1.448 493 HH12 ARG 65 1HH1 ARG 65 12.222 -21.126 2.053 494 HH21 ARG 65 2HH2 ARG 65 12.775 -18.888 -0.577 495 HH22 ARG 65 1HH2 ARG 65 13.403 -19.536 0.901 496 H HIS 66 H HIS 66 4.737 -22.158 -2.784 497 HA HIS 66 HA HIS 66 3.765 -24.515 -1.732 498 HB2 HIS 66 1HB HIS 66 2.279 -22.749 -1.549 499 HB3 HIS 66 2HB HIS 66 2.498 -22.253 -3.225 500 HD1 HIS 66 1HD HIS 66 0.773 -24.934 -1.186 501 HD2 HIS 66 2HD HIS 66 0.620 -23.215 -4.965 502 HE1 HIS 66 1HE HIS 66 -1.283 -25.888 -2.276 503 H ALA 67 H ALA 67 4.059 -23.570 -5.123 504 HA ALA 67 HA ALA 67 2.652 -25.616 -6.340 505 HB1 ALA 67 1HB ALA 67 3.308 -24.277 -8.003 506 HB2 ALA 67 2HB ALA 67 4.744 -23.743 -7.128 507 HB3 ALA 67 3HB ALA 67 4.776 -25.254 -8.037 508 H ASP 68 H ASP 68 6.085 -25.585 -5.403 509 HA ASP 68 HA ASP 68 6.934 -27.999 -6.333 510 HB2 ASP 68 1HB ASP 68 7.559 -26.557 -3.767 511 HB3 ASP 68 2HB ASP 68 8.330 -28.091 -4.158 512 H ASN 69 H ASN 69 5.482 -27.521 -3.107 513 HA ASN 69 HA ASN 69 5.231 -30.318 -2.620 514 HB2 ASN 69 1HB ASN 69 4.130 -27.868 -1.251 515 HB3 ASN 69 2HB ASN 69 3.723 -29.495 -0.713 516 HD21 ASN 69 1HD2 ASN 69 6.469 -27.385 -1.410 517 HD22 ASN 69 2HD2 ASN 69 7.511 -28.048 -0.203 518 H CYS 70 H CYS 70 3.401 -28.083 -4.406 519 HA CYS 70 HA CYS 70 0.858 -29.405 -4.109 520 HB2 CYS 70 1HB CYS 70 1.058 -26.971 -4.594 521 HB3 CYS 70 2HB CYS 70 1.722 -27.371 -6.175 522 H ALA 71 H ALA 71 -0.276 -30.478 -5.821 523 HA ALA 71 HA ALA 71 1.446 -31.606 -7.922 524 HB1 ALA 71 1HB ALA 71 0.348 -33.016 -5.705 525 HB2 ALA 71 2HB ALA 71 -0.425 -33.592 -7.182 526 HB3 ALA 71 3HB ALA 71 1.332 -33.634 -7.033 527 H GLY 72 H GLY 72 -1.848 -30.993 -6.779 528 HA2 GLY 72 1HA GLY 72 -2.770 -29.981 -9.213 529 HA3 GLY 72 2HA GLY 72 -3.173 -31.691 -9.174 530 HA PRO 73 HA PRO 73 -6.492 -29.136 -7.047 531 HB2 PRO 73 1HB PRO 73 -8.528 -29.883 -8.680 532 HB3 PRO 73 2HB PRO 73 -7.500 -28.482 -9.005 533 HG2 PRO 73 1HG PRO 73 -7.358 -31.243 -10.154 534 HG3 PRO 73 2HG PRO 73 -7.188 -29.680 -10.973 535 HD2 PRO 73 1HD PRO 73 -5.058 -31.202 -10.283 536 HD3 PRO 73 2HD PRO 73 -4.995 -29.428 -10.310 537 H ASP 74 H ASP 74 -7.753 -29.994 -5.480 538 HA ASP 74 HA ASP 74 -9.057 -32.487 -5.613 539 HB2 ASP 74 1HB ASP 74 -7.708 -33.943 -4.422 540 HB3 ASP 74 2HB ASP 74 -6.511 -33.059 -5.364 541 H GLY 75 H GLY 75 -10.697 -32.399 -4.217 542 HA2 GLY 75 1HA GLY 75 -10.805 -30.249 -2.294 543 HA3 GLY 75 2HA GLY 75 -12.086 -31.397 -2.652 544 H VAL 76 H VAL 76 -12.604 -31.872 -0.544 545 HA VAL 76 HA VAL 76 -10.488 -32.914 1.193 546 HB VAL 76 HB VAL 76 -12.129 -32.807 2.997 547 HG11 VAL 76 1HG1 VAL 76 -12.711 -30.200 2.488 548 HG12 VAL 76 2HG1 VAL 76 -11.162 -30.783 3.101 549 HG13 VAL 76 3HG1 VAL 76 -11.373 -30.484 1.375 550 HG21 VAL 76 1HG2 VAL 76 -14.360 -32.189 2.731 551 HG22 VAL 76 2HG2 VAL 76 -14.085 -31.525 1.121 552 HG23 VAL 76 3HG2 VAL 76 -14.070 -33.271 1.369 553 H GLU 77 H GLU 77 -11.279 -34.790 2.650 554 HA GLU 77 HA GLU 77 -12.930 -36.709 1.193 555 HB2 GLU 77 1HB GLU 77 -11.243 -38.482 1.424 556 HB3 GLU 77 2HB GLU 77 -10.670 -37.166 0.409 557 HG2 GLU 77 1HG GLU 77 -9.190 -36.394 2.034 558 HG3 GLU 77 2HG GLU 77 -10.003 -37.277 3.325 559 H GLY 78 H GLY 78 -14.107 -38.012 2.497 560 HA2 GLY 78 1HA GLY 78 -14.936 -38.967 4.419 561 HA3 GLY 78 2HA GLY 78 -13.360 -38.704 5.152 562 H GLU 79 H GLU 79 -14.979 -38.347 6.996 563 HA GLU 79 HA GLU 79 -16.532 -36.002 7.102 564 HB2 GLU 79 1HB GLU 79 -16.685 -37.980 8.658 565 HB3 GLU 79 2HB GLU 79 -15.231 -37.387 9.449 566 HG2 GLU 79 1HG GLU 79 -17.054 -36.654 10.748 567 HG3 GLU 79 2HG GLU 79 -16.459 -35.242 9.877 568 H ASN 80 H ASN 80 -15.580 -34.110 6.582 569 HA ASN 80 HA ASN 80 -12.930 -33.423 7.425 570 HB2 ASN 80 1HB ASN 80 -13.360 -31.272 6.356 571 HB3 ASN 80 2HB ASN 80 -13.897 -32.584 5.311 572 HD21 ASN 80 1HD2 ASN 80 -16.059 -32.843 4.889 573 HD22 ASN 80 2HD2 ASN 80 -17.247 -31.664 5.316 574 H SER 81 H SER 81 -12.389 -31.573 8.752 575 HA SER 81 HA SER 81 -13.732 -31.595 11.236 576 HB2 SER 81 1HB SER 81 -11.250 -30.940 10.570 577 HB3 SER 81 2HB SER 81 -11.937 -29.318 10.510 578 HG SER 81 HG SER 81 -12.852 -30.175 12.709 579 H GLY 82 H GLY 82 -14.691 -29.743 12.337 580 HA2 GLY 82 1HA GLY 82 -16.198 -28.040 10.450 581 HA3 GLY 82 2HA GLY 82 -16.857 -28.644 11.963 582 HA PRO 83 HA PRO 83 -15.429 -24.329 12.738 583 HB2 PRO 83 1HB PRO 83 -17.565 -23.665 14.276 584 HB3 PRO 83 2HB PRO 83 -17.576 -23.543 12.512 585 HG2 PRO 83 1HG PRO 83 -18.689 -25.697 14.268 586 HG3 PRO 83 2HG PRO 83 -19.405 -24.942 12.833 587 HD2 PRO 83 1HD PRO 83 -18.188 -27.360 12.754 588 HD3 PRO 83 2HD PRO 83 -18.167 -26.235 11.381 589 H SER 84 H SER 84 -15.297 -23.207 14.950 590 HA SER 84 HA SER 84 -15.106 -25.057 17.193 591 HB2 SER 84 1HB SER 84 -12.871 -24.829 15.786 592 HB3 SER 84 2HB SER 84 -12.712 -23.335 16.709 593 HG SER 84 HG SER 84 -12.487 -24.455 18.525 594 H SER 85 H SER 85 -14.295 -23.775 19.198 595 HA SER 85 HA SER 85 -15.767 -21.229 19.224 596 HB2 SER 85 1HB SER 85 -15.342 -23.385 21.240 597 HB3 SER 85 2HB SER 85 -15.515 -21.732 21.829 598 HG SER 85 HG SER 85 -17.550 -21.693 21.183 599 H GLY 86 H GLY 86 -14.924 -19.687 21.000 600 HA2 GLY 86 1HA GLY 86 -11.975 -19.680 21.007 601 HA3 GLY 86 2HA GLY 86 -12.867 -18.251 20.508 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -12.241 -6.016 -19.581 2 HA2 GLY 1 1HA GLY 1 -13.300 -6.040 -17.167 3 HA3 GLY 1 2HA GLY 1 -14.731 -5.622 -18.099 4 H SER 2 H SER 2 -14.259 -7.982 -16.473 5 HA SER 2 HA SER 2 -13.739 -10.207 -18.178 6 HB2 SER 2 1HB SER 2 -15.090 -10.069 -15.472 7 HB3 SER 2 2HB SER 2 -14.604 -11.560 -16.280 8 HG SER 2 HG SER 2 -12.795 -11.216 -15.258 9 H SER 3 H SER 3 -16.734 -8.941 -16.718 10 HA SER 3 HA SER 3 -18.928 -9.219 -17.262 11 HB2 SER 3 1HB SER 3 -17.564 -9.084 -19.932 12 HB3 SER 3 2HB SER 3 -19.300 -9.380 -19.847 13 HG SER 3 HG SER 3 -19.082 -7.419 -18.290 14 H GLY 4 H GLY 4 -17.716 -11.550 -16.387 15 HA2 GLY 4 1HA GLY 4 -18.822 -13.627 -18.166 16 HA3 GLY 4 2HA GLY 4 -17.566 -13.896 -16.967 17 H SER 5 H SER 5 -19.468 -15.662 -16.816 18 HA SER 5 HA SER 5 -21.690 -14.844 -15.190 19 HB2 SER 5 1HB SER 5 -20.680 -17.452 -16.261 20 HB3 SER 5 2HB SER 5 -21.865 -17.460 -14.955 21 HG SER 5 HG SER 5 -22.136 -16.654 -17.606 22 H SER 6 H SER 6 -21.349 -14.228 -13.157 23 HA SER 6 HA SER 6 -19.929 -16.042 -11.368 24 HB2 SER 6 1HB SER 6 -18.463 -14.411 -10.475 25 HB3 SER 6 2HB SER 6 -18.336 -14.228 -12.225 26 HG SER 6 HG SER 6 -19.778 -12.611 -10.401 27 H GLY 7 H GLY 7 -20.098 -15.062 -9.020 28 HA2 GLY 7 1HA GLY 7 -22.878 -14.104 -8.711 29 HA3 GLY 7 2HA GLY 7 -22.122 -15.254 -7.619 30 H ARG 8 H ARG 8 -21.316 -14.468 -5.792 31 HA ARG 8 HA ARG 8 -20.551 -13.021 -4.213 32 HB2 ARG 8 1HB ARG 8 -19.661 -11.237 -6.476 33 HB3 ARG 8 2HB ARG 8 -18.995 -11.332 -4.851 34 HG2 ARG 8 1HG ARG 8 -18.210 -13.619 -5.339 35 HG3 ARG 8 2HG ARG 8 -18.810 -13.443 -6.990 36 HD2 ARG 8 1HD ARG 8 -16.863 -11.493 -5.801 37 HD3 ARG 8 2HD ARG 8 -16.324 -12.991 -6.559 38 HE ARG 8 HE ARG 8 -17.404 -10.655 -7.878 39 HH11 ARG 8 2HH1 ARG 8 -16.656 -14.047 -8.116 40 HH12 ARG 8 1HH1 ARG 8 -16.594 -14.046 -9.847 41 HH21 ARG 8 2HH2 ARG 8 -17.325 -10.640 -10.158 42 HH22 ARG 8 1HH2 ARG 8 -16.974 -12.107 -11.008 43 H THR 9 H THR 9 -23.152 -12.834 -4.463 44 HA THR 9 HA THR 9 -23.942 -10.083 -4.998 45 HB THR 9 HB THR 9 -26.229 -10.835 -4.589 46 HG1 THR 9 1HG THR 9 -24.914 -12.944 -3.417 47 HG21 THR 9 1HG2 THR 9 -24.488 -11.868 -6.617 48 HG22 THR 9 2HG2 THR 9 -26.196 -11.442 -6.732 49 HG23 THR 9 3HG2 THR 9 -25.724 -13.067 -6.238 50 H HIS 10 H HIS 10 -23.257 -12.175 -2.316 51 HA HIS 10 HA HIS 10 -24.627 -10.825 -0.276 52 HB2 HIS 10 1HB HIS 10 -23.651 -13.041 0.054 53 HB3 HIS 10 2HB HIS 10 -22.032 -12.375 -0.138 54 HD1 HIS 10 1HD HIS 10 -20.918 -11.483 1.921 55 HD2 HIS 10 2HD HIS 10 -24.980 -12.157 2.475 56 HE1 HIS 10 1HE HIS 10 -21.326 -11.150 4.380 57 H THR 11 H THR 11 -24.462 -8.682 -0.029 58 HA THR 11 HA THR 11 -21.758 -7.546 0.254 59 HB THR 11 HB THR 11 -22.896 -5.353 -0.529 60 HG1 THR 11 1HG THR 11 -24.992 -6.797 -0.606 61 HG21 THR 11 1HG2 THR 11 -22.752 -7.094 -2.883 62 HG22 THR 11 2HG2 THR 11 -21.364 -7.224 -1.804 63 HG23 THR 11 3HG2 THR 11 -21.814 -5.658 -2.477 64 H GLY 12 H GLY 12 -22.029 -5.227 1.322 65 HA2 GLY 12 1HA GLY 12 -24.060 -5.297 3.433 66 HA3 GLY 12 2HA GLY 12 -22.372 -5.301 3.922 67 H GLU 13 H GLU 13 -22.525 -3.323 4.984 68 HA GLU 13 HA GLU 13 -23.274 -0.983 3.401 69 HB2 GLU 13 1HB GLU 13 -23.981 -1.481 5.870 70 HB3 GLU 13 2HB GLU 13 -22.385 -0.857 6.260 71 HG2 GLU 13 1HG GLU 13 -24.404 0.655 4.626 72 HG3 GLU 13 2HG GLU 13 -24.246 0.807 6.375 73 H LYS 14 H LYS 14 -21.890 0.719 2.974 74 HA LYS 14 HA LYS 14 -19.040 0.254 3.558 75 HB2 LYS 14 1HB LYS 14 -20.226 1.318 0.988 76 HB3 LYS 14 2HB LYS 14 -18.506 1.212 1.343 77 HG2 LYS 14 1HG LYS 14 -18.470 -1.083 1.155 78 HG3 LYS 14 2HG LYS 14 -20.197 -1.242 1.484 79 HD2 LYS 14 1HD LYS 14 -20.728 -0.320 -0.693 80 HD3 LYS 14 2HD LYS 14 -19.017 -0.037 -1.020 81 HE2 LYS 14 1HE LYS 14 -18.564 -2.375 -1.079 82 HE3 LYS 14 2HE LYS 14 -20.168 -2.763 -0.458 83 HZ1 LYS 14 1HZ LYS 14 -19.364 -1.953 -3.155 84 HZ2 LYS 14 2HZ LYS 14 -20.898 -1.490 -2.612 85 HZ3 LYS 14 3HZ LYS 14 -20.480 -3.129 -2.669 86 HA PRO 15 HA PRO 15 -19.974 4.345 5.311 87 HB2 PRO 15 1HB PRO 15 -17.916 4.281 7.081 88 HB3 PRO 15 2HB PRO 15 -19.470 3.496 7.386 89 HG2 PRO 15 1HG PRO 15 -16.901 2.301 6.418 90 HG3 PRO 15 2HG PRO 15 -18.042 1.676 7.623 91 HD2 PRO 15 1HD PRO 15 -17.979 0.773 5.071 92 HD3 PRO 15 2HD PRO 15 -19.477 0.849 6.020 93 H TYR 16 H TYR 16 -17.097 3.011 3.883 94 HA TYR 16 HA TYR 16 -15.749 5.575 3.736 95 HB2 TYR 16 1HB TYR 16 -14.972 2.940 2.472 96 HB3 TYR 16 2HB TYR 16 -13.946 4.358 2.657 97 HD1 TYR 16 2HD TYR 16 -15.663 1.649 4.492 98 HD2 TYR 16 1HD TYR 16 -12.792 4.782 4.690 99 HE1 TYR 16 2HE TYR 16 -14.901 0.804 6.673 100 HE2 TYR 16 1HE TYR 16 -12.021 3.946 6.871 101 HH TYR 16 HH TYR 16 -13.734 1.782 8.720 102 H ALA 17 H ALA 17 -16.620 6.984 2.345 103 HA ALA 17 HA ALA 17 -17.324 6.023 -0.351 104 HB1 ALA 17 1HB ALA 17 -18.522 8.433 -0.235 105 HB2 ALA 17 2HB ALA 17 -19.305 6.924 0.233 106 HB3 ALA 17 3HB ALA 17 -18.592 7.965 1.464 107 H CYS 18 H CYS 18 -15.854 6.511 -1.831 108 HA CYS 18 HA CYS 18 -13.670 8.170 -1.523 109 HB2 CYS 18 1HB CYS 18 -14.210 6.433 -3.370 110 HB3 CYS 18 2HB CYS 18 -14.957 7.786 -4.212 111 H SER 19 H SER 19 -13.198 10.284 -1.966 112 HA SER 19 HA SER 19 -15.441 12.106 -2.013 113 HB2 SER 19 1HB SER 19 -13.131 12.278 -0.718 114 HB3 SER 19 2HB SER 19 -12.620 13.070 -2.209 115 HG SER 19 HG SER 19 -14.874 14.181 -1.697 116 H HIS 20 H HIS 20 -12.576 11.525 -4.046 117 HA HIS 20 HA HIS 20 -13.060 13.378 -6.035 118 HB2 HIS 20 1HB HIS 20 -11.780 10.651 -6.138 119 HB3 HIS 20 2HB HIS 20 -11.849 11.704 -7.548 120 HD1 HIS 20 1HD HIS 20 -11.132 12.879 -4.031 121 HD2 HIS 20 2HD HIS 20 -9.185 12.359 -7.664 122 HE1 HIS 20 1HE HIS 20 -8.873 13.944 -3.741 123 H CYS 21 H CYS 21 -14.337 10.091 -5.723 124 HA CYS 21 HA CYS 21 -16.267 10.730 -7.857 125 HB2 CYS 21 1HB CYS 21 -16.284 8.408 -8.511 126 HB3 CYS 21 2HB CYS 21 -14.616 8.971 -8.495 127 H ASP 22 H ASP 22 -18.105 8.854 -7.640 128 HA ASP 22 HA ASP 22 -19.146 9.201 -4.912 129 HB2 ASP 22 1HB ASP 22 -20.406 10.121 -6.953 130 HB3 ASP 22 2HB ASP 22 -20.785 8.441 -7.322 131 H LYS 23 H LYS 23 -17.346 7.217 -5.058 132 HA LYS 23 HA LYS 23 -18.920 4.740 -5.277 133 HB2 LYS 23 1HB LYS 23 -15.950 5.241 -5.444 134 HB3 LYS 23 2HB LYS 23 -16.633 3.629 -5.270 135 HG2 LYS 23 1HG LYS 23 -17.648 5.341 -7.473 136 HG3 LYS 23 2HG LYS 23 -16.034 4.645 -7.629 137 HD2 LYS 23 1HD LYS 23 -17.213 2.431 -6.936 138 HD3 LYS 23 2HD LYS 23 -18.684 3.268 -7.438 139 HE2 LYS 23 1HE LYS 23 -18.118 2.306 -9.423 140 HE3 LYS 23 2HE LYS 23 -17.204 3.806 -9.569 141 HZ1 LYS 23 1HZ LYS 23 -15.818 1.629 -8.252 142 HZ2 LYS 23 2HZ LYS 23 -15.255 2.732 -9.403 143 HZ3 LYS 23 3HZ LYS 23 -16.146 1.380 -9.893 144 H THR 24 H THR 24 -18.587 3.097 -3.649 145 HA THR 24 HA THR 24 -17.631 4.141 -1.070 146 HB THR 24 HB THR 24 -19.494 2.950 0.061 147 HG1 THR 24 1HG THR 24 -20.085 2.303 -2.591 148 HG21 THR 24 1HG2 THR 24 -21.045 4.685 -1.692 149 HG22 THR 24 2HG2 THR 24 -19.531 5.422 -1.166 150 HG23 THR 24 3HG2 THR 24 -20.691 4.842 0.028 151 H PHE 25 H PHE 25 -16.973 2.523 0.460 152 HA PHE 25 HA PHE 25 -16.645 -0.194 -0.535 153 HB2 PHE 25 1HB PHE 25 -14.236 1.304 0.485 154 HB3 PHE 25 2HB PHE 25 -14.284 -0.261 -0.322 155 HD1 PHE 25 1HD PHE 25 -14.904 3.357 -0.865 156 HD2 PHE 25 2HD PHE 25 -14.008 -0.413 -2.627 157 HE1 PHE 25 1HE PHE 25 -14.504 4.465 -3.025 158 HE2 PHE 25 2HE PHE 25 -13.606 0.690 -4.789 159 HZ PHE 25 HZ PHE 25 -13.853 3.132 -4.990 160 H ARG 26 H ARG 26 -16.198 -1.729 1.096 161 HA ARG 26 HA ARG 26 -17.304 -1.072 3.640 162 HB2 ARG 26 1HB ARG 26 -16.795 -3.422 4.213 163 HB3 ARG 26 2HB ARG 26 -17.657 -3.273 2.688 164 HG2 ARG 26 1HG ARG 26 -15.238 -3.309 1.677 165 HG3 ARG 26 2HG ARG 26 -14.847 -4.096 3.208 166 HD2 ARG 26 1HD ARG 26 -17.160 -5.030 1.551 167 HD3 ARG 26 2HD ARG 26 -15.518 -5.551 1.175 168 HE ARG 26 HE ARG 26 -15.476 -6.792 3.142 169 HH11 ARG 26 2HH1 ARG 26 -18.423 -4.958 2.870 170 HH12 ARG 26 1HH1 ARG 26 -19.235 -5.828 4.128 171 HH21 ARG 26 2HH2 ARG 26 -16.535 -7.945 4.801 172 HH22 ARG 26 1HH2 ARG 26 -18.160 -7.527 5.227 173 H GLN 27 H GLN 27 -14.059 -2.172 2.649 174 HA GLN 27 HA GLN 27 -13.010 -1.183 5.205 175 HB2 GLN 27 1HB GLN 27 -11.981 -3.173 3.199 176 HB3 GLN 27 2HB GLN 27 -10.923 -2.472 4.417 177 HG2 GLN 27 1HG GLN 27 -13.457 -3.982 5.013 178 HG3 GLN 27 2HG GLN 27 -11.836 -4.675 5.048 179 HE21 GLN 27 1HE2 GLN 27 -14.174 -2.826 6.716 180 HE22 GLN 27 2HE2 GLN 27 -13.259 -2.541 8.153 181 H LYS 28 H LYS 28 -11.490 0.397 5.316 182 HA LYS 28 HA LYS 28 -11.328 2.354 3.382 183 HB2 LYS 28 1HB LYS 28 -10.665 2.840 5.632 184 HB3 LYS 28 2HB LYS 28 -9.386 1.634 5.578 185 HG2 LYS 28 1HG LYS 28 -8.185 3.560 5.304 186 HG3 LYS 28 2HG LYS 28 -8.479 3.112 3.622 187 HD2 LYS 28 1HD LYS 28 -10.529 4.603 3.732 188 HD3 LYS 28 2HD LYS 28 -9.892 5.201 5.267 189 HE2 LYS 28 1HE LYS 28 -8.100 5.173 2.888 190 HE3 LYS 28 2HE LYS 28 -9.352 6.410 2.985 191 HZ1 LYS 28 1HZ LYS 28 -7.800 7.511 4.143 192 HZ2 LYS 28 2HZ LYS 28 -6.922 6.117 4.527 193 HZ3 LYS 28 3HZ LYS 28 -8.287 6.534 5.436 194 H GLN 29 H GLN 29 -9.315 -0.496 3.807 195 HA GLN 29 HA GLN 29 -7.175 0.066 2.178 196 HB2 GLN 29 1HB GLN 29 -7.555 -2.028 3.527 197 HB3 GLN 29 2HB GLN 29 -8.599 -2.596 2.231 198 HG2 GLN 29 1HG GLN 29 -6.725 -2.498 0.672 199 HG3 GLN 29 2HG GLN 29 -5.678 -1.922 1.967 200 HE21 GLN 29 1HE2 GLN 29 -4.779 -4.050 0.767 201 HE22 GLN 29 2HE2 GLN 29 -5.027 -5.489 1.691 202 H LEU 30 H LEU 30 -10.340 -1.219 1.201 203 HA LEU 30 HA LEU 30 -9.798 -1.490 -1.530 204 HB2 LEU 30 1HB LEU 30 -12.290 -1.120 0.075 205 HB3 LEU 30 2HB LEU 30 -12.370 -1.073 -1.685 206 HG LEU 30 HG LEU 30 -12.935 -3.270 -1.116 207 HD11 LEU 30 1HD1 LEU 30 -10.037 -3.766 -1.515 208 HD12 LEU 30 2HD1 LEU 30 -10.895 -2.835 -2.742 209 HD13 LEU 30 3HD1 LEU 30 -11.432 -4.465 -2.337 210 HD21 LEU 30 1HD2 LEU 30 -10.591 -3.256 0.781 211 HD22 LEU 30 2HD2 LEU 30 -11.610 -4.652 0.434 212 HD23 LEU 30 3HD2 LEU 30 -12.299 -3.230 1.219 213 H LEU 31 H LEU 31 -11.385 1.200 0.188 214 HA LEU 31 HA LEU 31 -11.638 2.874 -2.058 215 HB2 LEU 31 1HB LEU 31 -12.967 3.353 -0.169 216 HB3 LEU 31 2HB LEU 31 -11.564 3.412 0.896 217 HG LEU 31 HG LEU 31 -10.860 5.511 -0.136 218 HD11 LEU 31 1HD1 LEU 31 -13.435 5.768 -1.591 219 HD12 LEU 31 2HD1 LEU 31 -12.155 4.807 -2.330 220 HD13 LEU 31 3HD1 LEU 31 -11.865 6.498 -1.925 221 HD21 LEU 31 1HD2 LEU 31 -12.491 6.909 0.860 222 HD22 LEU 31 2HD2 LEU 31 -12.473 5.418 1.801 223 HD23 LEU 31 3HD2 LEU 31 -13.763 5.709 0.634 224 H ASP 32 H ASP 32 -8.939 2.082 -0.091 225 HA ASP 32 HA ASP 32 -7.405 4.442 -0.642 226 HB2 ASP 32 1HB ASP 32 -7.143 2.776 1.326 227 HB3 ASP 32 2HB ASP 32 -6.225 1.801 0.181 228 H MET 33 H MET 33 -7.321 1.086 -1.826 229 HA MET 33 HA MET 33 -5.299 1.630 -3.771 230 HB2 MET 33 1HB MET 33 -5.758 -0.638 -4.578 231 HB3 MET 33 2HB MET 33 -5.580 -0.608 -2.829 232 HG2 MET 33 1HG MET 33 -8.121 -0.478 -2.740 233 HG3 MET 33 2HG MET 33 -8.084 -0.920 -4.445 234 HE1 MET 33 1HE MET 33 -8.392 -4.569 -4.189 235 HE2 MET 33 2HE MET 33 -9.409 -3.130 -4.270 236 HE3 MET 33 3HE MET 33 -7.980 -3.259 -5.297 237 H HIS 34 H HIS 34 -8.819 1.236 -3.878 238 HA HIS 34 HA HIS 34 -9.308 1.260 -6.566 239 HB2 HIS 34 1HB HIS 34 -11.264 1.079 -5.390 240 HB3 HIS 34 2HB HIS 34 -10.784 2.281 -4.197 241 HD1 HIS 34 1HD HIS 34 -12.555 1.890 -7.437 242 HD2 HIS 34 2HD HIS 34 -11.352 4.961 -4.911 243 HE1 HIS 34 1HE HIS 34 -13.787 3.934 -8.230 244 H PHE 35 H PHE 35 -8.459 3.997 -4.521 245 HA PHE 35 HA PHE 35 -8.890 5.990 -6.505 246 HB2 PHE 35 1HB PHE 35 -8.837 6.468 -4.070 247 HB3 PHE 35 2HB PHE 35 -7.114 6.110 -4.059 248 HD1 PHE 35 2HD PHE 35 -5.748 7.480 -5.903 249 HD2 PHE 35 1HD PHE 35 -9.455 8.667 -4.182 250 HE1 PHE 35 2HE PHE 35 -5.259 9.822 -6.473 251 HE2 PHE 35 1HE PHE 35 -8.972 11.012 -4.750 252 HZ PHE 35 HZ PHE 35 -6.871 11.592 -5.897 253 H LYS 36 H LYS 36 -5.849 4.729 -5.125 254 HA LYS 36 HA LYS 36 -4.200 5.902 -7.096 255 HB2 LYS 36 1HB LYS 36 -3.853 3.904 -4.927 256 HB3 LYS 36 2HB LYS 36 -2.644 3.906 -6.204 257 HG2 LYS 36 1HG LYS 36 -3.423 6.347 -4.628 258 HG3 LYS 36 2HG LYS 36 -2.065 5.295 -4.222 259 HD2 LYS 36 1HD LYS 36 -1.012 5.777 -6.347 260 HD3 LYS 36 2HD LYS 36 -2.405 6.736 -6.852 261 HE2 LYS 36 1HE LYS 36 -0.822 7.397 -4.386 262 HE3 LYS 36 2HE LYS 36 -0.360 7.993 -5.979 263 HZ1 LYS 36 1HZ LYS 36 -3.137 8.404 -5.337 264 HZ2 LYS 36 2HZ LYS 36 -2.003 9.485 -5.974 265 HZ3 LYS 36 3HZ LYS 36 -2.076 9.224 -4.304 266 H ARG 37 H ARG 37 -6.339 3.349 -7.316 267 HA ARG 37 HA ARG 37 -4.810 1.957 -9.391 268 HB2 ARG 37 1HB ARG 37 -5.749 0.384 -7.939 269 HB3 ARG 37 2HB ARG 37 -7.258 1.276 -7.796 270 HG2 ARG 37 1HG ARG 37 -8.130 0.381 -9.684 271 HG3 ARG 37 2HG ARG 37 -6.560 0.249 -10.479 272 HD2 ARG 37 1HD ARG 37 -7.035 -1.459 -8.103 273 HD3 ARG 37 2HD ARG 37 -7.902 -1.872 -9.582 274 HE ARG 37 HE ARG 37 -5.197 -2.391 -9.055 275 HH11 ARG 37 2HH1 ARG 37 -7.241 -1.183 -11.601 276 HH12 ARG 37 1HH1 ARG 37 -6.195 -1.720 -12.874 277 HH21 ARG 37 2HH2 ARG 37 -3.812 -3.104 -10.722 278 HH22 ARG 37 1HH2 ARG 37 -4.245 -2.813 -12.372 279 H TYR 38 H TYR 38 -8.189 3.036 -8.981 280 HA TYR 38 HA TYR 38 -8.731 3.054 -11.759 281 HB2 TYR 38 1HB TYR 38 -10.139 4.235 -9.373 282 HB3 TYR 38 2HB TYR 38 -10.740 4.473 -11.010 283 HD1 TYR 38 1HD TYR 38 -9.526 1.638 -8.886 284 HD2 TYR 38 2HD TYR 38 -12.402 3.036 -11.693 285 HE1 TYR 38 1HE TYR 38 -10.687 -0.527 -8.767 286 HE2 TYR 38 2HE TYR 38 -13.571 0.876 -11.581 287 HH TYR 38 HH TYR 38 -13.778 -1.043 -10.321 288 H HIS 39 H HIS 39 -8.625 5.845 -9.538 289 HA HIS 39 HA HIS 39 -8.477 7.797 -11.528 290 HB2 HIS 39 1HB HIS 39 -7.414 7.914 -8.697 291 HB3 HIS 39 2HB HIS 39 -7.688 9.306 -9.741 292 HD1 HIS 39 1HD HIS 39 -10.430 8.985 -10.768 293 HD2 HIS 39 2HD HIS 39 -9.417 7.861 -6.899 294 HE1 HIS 39 1HE HIS 39 -12.590 8.985 -9.481 295 H ASP 40 H ASP 40 -6.176 5.521 -10.642 296 HA ASP 40 HA ASP 40 -4.179 6.805 -12.306 297 HB2 ASP 40 1HB ASP 40 -3.922 7.416 -9.738 298 HB3 ASP 40 2HB ASP 40 -3.170 5.825 -9.673 299 HA PRO 41 HA PRO 41 -4.133 2.437 -13.328 300 HB2 PRO 41 1HB PRO 41 -2.668 2.742 -15.593 301 HB3 PRO 41 2HB PRO 41 -4.401 3.082 -15.517 302 HG2 PRO 41 1HG PRO 41 -2.089 4.980 -15.377 303 HG3 PRO 41 2HG PRO 41 -3.616 5.139 -16.266 304 HD2 PRO 41 1HD PRO 41 -3.171 6.379 -13.900 305 HD3 PRO 41 2HD PRO 41 -4.780 5.816 -14.395 306 H ASN 42 H ASN 42 -1.834 4.318 -11.986 307 HA ASN 42 HA ASN 42 0.555 2.898 -12.623 308 HB2 ASN 42 1HB ASN 42 -0.222 4.909 -10.538 309 HB3 ASN 42 2HB ASN 42 1.311 4.053 -10.397 310 HD21 ASN 42 1HD2 ASN 42 0.009 6.823 -11.404 311 HD22 ASN 42 2HD2 ASN 42 1.109 7.252 -12.665 312 H PHE 43 H PHE 43 -1.330 3.028 -9.593 313 HA PHE 43 HA PHE 43 -0.065 1.012 -8.221 314 HB2 PHE 43 1HB PHE 43 -1.858 2.513 -7.323 315 HB3 PHE 43 2HB PHE 43 -3.045 1.521 -8.163 316 HD1 PHE 43 1HD PHE 43 -2.905 -1.051 -7.626 317 HD2 PHE 43 2HD PHE 43 -1.381 2.040 -5.128 318 HE1 PHE 43 1HE PHE 43 -3.008 -2.569 -5.691 319 HE2 PHE 43 2HE PHE 43 -1.480 0.527 -3.190 320 HZ PHE 43 HZ PHE 43 -2.293 -1.780 -3.470 321 H VAL 44 H VAL 44 -0.302 -1.203 -8.023 322 HA VAL 44 HA VAL 44 -2.216 -2.674 -9.572 323 HB VAL 44 HB VAL 44 -0.704 -2.236 -11.385 324 HG11 VAL 44 1HG1 VAL 44 1.424 -1.773 -10.938 325 HG12 VAL 44 2HG1 VAL 44 1.300 -2.486 -9.329 326 HG13 VAL 44 3HG1 VAL 44 1.693 -3.502 -10.716 327 HG21 VAL 44 1HG2 VAL 44 -1.021 -4.322 -12.074 328 HG22 VAL 44 2HG2 VAL 44 0.351 -4.865 -11.108 329 HG23 VAL 44 3HG2 VAL 44 -1.266 -4.835 -10.404 330 HA PRO 45 HA PRO 45 -1.143 -5.054 -5.907 331 HB2 PRO 45 1HB PRO 45 -3.337 -6.648 -6.026 332 HB3 PRO 45 2HB PRO 45 -3.377 -5.006 -5.373 333 HG2 PRO 45 1HG PRO 45 -4.181 -5.986 -8.084 334 HG3 PRO 45 2HG PRO 45 -5.003 -4.825 -7.026 335 HD2 PRO 45 1HD PRO 45 -3.476 -4.056 -9.126 336 HD3 PRO 45 2HD PRO 45 -3.614 -3.091 -7.642 337 H ALA 46 H ALA 46 -0.101 -6.968 -5.668 338 HA ALA 46 HA ALA 46 0.622 -8.435 -8.015 339 HB1 ALA 46 1HB ALA 46 1.472 -9.915 -5.822 340 HB2 ALA 46 2HB ALA 46 2.410 -8.723 -6.723 341 HB3 ALA 46 3HB ALA 46 1.525 -8.238 -5.277 342 H ALA 47 H ALA 47 -0.818 -9.751 -8.939 343 HA ALA 47 HA ALA 47 -2.422 -11.510 -7.202 344 HB1 ALA 47 1HB ALA 47 -3.618 -9.856 -8.710 345 HB2 ALA 47 2HB ALA 47 -3.067 -10.847 -10.062 346 HB3 ALA 47 3HB ALA 47 -4.122 -11.542 -8.831 347 H PHE 48 H PHE 48 -1.444 -13.428 -7.049 348 HA PHE 48 HA PHE 48 -0.550 -14.717 -9.539 349 HB2 PHE 48 1HB PHE 48 0.793 -14.892 -6.833 350 HB3 PHE 48 2HB PHE 48 1.264 -15.805 -8.263 351 HD1 PHE 48 2HD PHE 48 1.072 -12.429 -6.796 352 HD2 PHE 48 1HD PHE 48 2.602 -14.838 -9.954 353 HE1 PHE 48 2HE PHE 48 2.554 -10.588 -7.477 354 HE2 PHE 48 1HE PHE 48 4.088 -13.000 -10.640 355 HZ PHE 48 HZ PHE 48 4.064 -10.871 -9.402 356 H VAL 49 H VAL 49 -1.497 -16.605 -9.935 357 HA VAL 49 HA VAL 49 -2.855 -17.976 -7.707 358 HB VAL 49 HB VAL 49 -3.606 -17.648 -10.589 359 HG11 VAL 49 1HG1 VAL 49 -5.386 -19.421 -10.098 360 HG12 VAL 49 2HG1 VAL 49 -3.750 -19.981 -10.453 361 HG13 VAL 49 3HG1 VAL 49 -4.326 -19.937 -8.786 362 HG21 VAL 49 1HG2 VAL 49 -5.804 -17.156 -9.606 363 HG22 VAL 49 2HG2 VAL 49 -5.141 -17.448 -7.998 364 HG23 VAL 49 3HG2 VAL 49 -4.544 -16.100 -8.966 365 H CYS 50 H CYS 50 -2.494 -20.113 -7.366 366 HA CYS 50 HA CYS 50 -0.125 -21.292 -8.234 367 HB2 CYS 50 1HB CYS 50 -1.577 -21.892 -6.207 368 HB3 CYS 50 2HB CYS 50 -2.523 -22.873 -7.322 369 H SER 51 H SER 51 -0.013 -23.471 -9.358 370 HA SER 51 HA SER 51 -1.742 -23.425 -11.746 371 HB2 SER 51 1HB SER 51 0.430 -22.823 -12.482 372 HB3 SER 51 2HB SER 51 1.198 -24.044 -11.467 373 HG SER 51 HG SER 51 0.081 -24.278 -13.966 374 H LYS 52 H LYS 52 -0.686 -25.207 -9.065 375 HA LYS 52 HA LYS 52 -1.203 -27.814 -10.225 376 HB2 LYS 52 1HB LYS 52 -0.207 -26.796 -7.609 377 HB3 LYS 52 2HB LYS 52 -0.963 -28.384 -7.634 378 HG2 LYS 52 1HG LYS 52 0.632 -29.097 -9.361 379 HG3 LYS 52 2HG LYS 52 1.407 -27.514 -9.277 380 HD2 LYS 52 1HD LYS 52 2.073 -27.887 -7.008 381 HD3 LYS 52 2HD LYS 52 1.114 -29.366 -6.915 382 HE2 LYS 52 1HE LYS 52 3.223 -29.153 -9.007 383 HE3 LYS 52 2HE LYS 52 3.715 -29.439 -7.339 384 HZ1 LYS 52 1HZ LYS 52 3.458 -31.554 -8.213 385 HZ2 LYS 52 2HZ LYS 52 2.072 -31.149 -9.093 386 HZ3 LYS 52 3HZ LYS 52 1.989 -31.307 -7.411 387 H CYS 53 H CYS 53 -2.667 -25.700 -7.775 388 HA CYS 53 HA CYS 53 -5.094 -27.360 -7.887 389 HB2 CYS 53 1HB CYS 53 -5.692 -26.327 -5.723 390 HB3 CYS 53 2HB CYS 53 -4.156 -27.183 -5.648 391 H GLY 54 H GLY 54 -4.002 -23.976 -7.748 392 HA2 GLY 54 1HA GLY 54 -4.922 -22.440 -9.420 393 HA3 GLY 54 2HA GLY 54 -6.469 -23.245 -9.200 394 H LYS 55 H LYS 55 -4.517 -22.608 -6.419 395 HA LYS 55 HA LYS 55 -6.568 -20.940 -5.297 396 HB2 LYS 55 1HB LYS 55 -4.029 -22.161 -4.340 397 HB3 LYS 55 2HB LYS 55 -4.626 -20.753 -3.473 398 HG2 LYS 55 1HG LYS 55 -6.545 -21.840 -2.765 399 HG3 LYS 55 2HG LYS 55 -6.435 -23.068 -4.028 400 HD2 LYS 55 1HD LYS 55 -4.862 -24.292 -2.891 401 HD3 LYS 55 2HD LYS 55 -4.239 -22.886 -2.024 402 HE2 LYS 55 1HE LYS 55 -5.866 -22.991 -0.411 403 HE3 LYS 55 2HE LYS 55 -7.029 -23.772 -1.482 404 HZ1 LYS 55 1HZ LYS 55 -5.025 -24.947 0.236 405 HZ2 LYS 55 2HZ LYS 55 -5.105 -25.631 -1.308 406 HZ3 LYS 55 3HZ LYS 55 -6.483 -25.594 -0.328 407 H THR 56 H THR 56 -5.889 -18.877 -4.130 408 HA THR 56 HA THR 56 -4.321 -17.241 -6.006 409 HB THR 56 HB THR 56 -5.537 -15.323 -4.727 410 HG1 THR 56 1HG THR 56 -6.442 -16.801 -3.143 411 HG21 THR 56 1HG2 THR 56 -6.932 -17.172 -6.663 412 HG22 THR 56 2HG2 THR 56 -5.959 -15.753 -7.052 413 HG23 THR 56 3HG2 THR 56 -7.512 -15.561 -6.240 414 H PHE 57 H PHE 57 -2.667 -15.957 -5.301 415 HA PHE 57 HA PHE 57 -2.047 -15.975 -2.430 416 HB2 PHE 57 1HB PHE 57 -0.154 -16.667 -4.681 417 HB3 PHE 57 2HB PHE 57 0.379 -16.279 -3.049 418 HD1 PHE 57 1HD PHE 57 -1.993 -18.553 -4.812 419 HD2 PHE 57 2HD PHE 57 0.714 -18.006 -1.573 420 HE1 PHE 57 1HE PHE 57 -2.305 -20.904 -4.159 421 HE2 PHE 57 2HE PHE 57 0.407 -20.357 -0.915 422 HZ PHE 57 HZ PHE 57 -1.103 -21.810 -2.209 423 H THR 58 H THR 58 -0.927 -14.177 -1.665 424 HA THR 58 HA THR 58 -1.237 -11.798 -3.281 425 HB THR 58 HB THR 58 -0.252 -12.145 -0.443 426 HG1 THR 58 1HG THR 58 -2.304 -12.007 0.058 427 HG21 THR 58 1HG2 THR 58 -0.757 -9.644 -0.353 428 HG22 THR 58 2HG2 THR 58 -0.718 -9.689 -2.116 429 HG23 THR 58 3HG2 THR 58 0.716 -10.131 -1.190 430 H ARG 59 H ARG 59 1.351 -13.841 -2.126 431 HA ARG 59 HA ARG 59 3.295 -12.067 -3.454 432 HB2 ARG 59 1HB ARG 59 4.898 -13.551 -1.914 433 HB3 ARG 59 2HB ARG 59 4.155 -12.062 -1.347 434 HG2 ARG 59 1HG ARG 59 2.694 -14.624 -0.961 435 HG3 ARG 59 2HG ARG 59 4.067 -14.254 0.084 436 HD2 ARG 59 1HD ARG 59 1.900 -12.237 -0.364 437 HD3 ARG 59 2HD ARG 59 1.689 -13.533 0.814 438 HE ARG 59 HE ARG 59 3.371 -11.220 1.066 439 HH11 ARG 59 2HH1 ARG 59 2.874 -14.512 2.084 440 HH12 ARG 59 1HH1 ARG 59 3.738 -14.319 3.574 441 HH21 ARG 59 2HH2 ARG 59 4.510 -10.953 3.024 442 HH22 ARG 59 1HH2 ARG 59 4.667 -12.294 4.108 443 H ARG 60 H ARG 60 4.322 -12.853 -5.175 444 HA ARG 60 HA ARG 60 3.682 -15.356 -6.286 445 HB2 ARG 60 1HB ARG 60 4.360 -13.593 -7.746 446 HB3 ARG 60 2HB ARG 60 5.883 -13.385 -6.892 447 HG2 ARG 60 1HG ARG 60 6.849 -15.207 -7.883 448 HG3 ARG 60 2HG ARG 60 5.304 -16.014 -8.156 449 HD2 ARG 60 1HD ARG 60 4.881 -14.851 -10.083 450 HD3 ARG 60 2HD ARG 60 5.827 -13.453 -9.573 451 HE ARG 60 HE ARG 60 7.554 -15.632 -9.959 452 HH11 ARG 60 2HH1 ARG 60 5.535 -13.458 -11.781 453 HH12 ARG 60 1HH1 ARG 60 6.501 -13.556 -13.216 454 HH21 ARG 60 2HH2 ARG 60 8.834 -15.768 -11.842 455 HH22 ARG 60 1HH2 ARG 60 8.376 -14.871 -13.250 456 H ASN 61 H ASN 61 6.879 -14.258 -5.134 457 HA ASN 61 HA ASN 61 8.339 -16.497 -5.225 458 HB2 ASN 61 1HB ASN 61 9.286 -15.760 -2.906 459 HB3 ASN 61 2HB ASN 61 9.455 -14.683 -4.290 460 HD21 ASN 61 1HD2 ASN 61 9.197 -12.671 -3.672 461 HD22 ASN 61 2HD2 ASN 61 8.001 -12.086 -2.571 462 H THR 62 H THR 62 5.779 -15.872 -2.893 463 HA THR 62 HA THR 62 6.258 -18.277 -1.395 464 HB THR 62 HB THR 62 3.930 -16.350 -1.383 465 HG1 THR 62 1HG THR 62 5.705 -16.739 0.759 466 HG21 THR 62 1HG2 THR 62 4.491 -18.543 0.610 467 HG22 THR 62 2HG2 THR 62 3.320 -18.692 -0.701 468 HG23 THR 62 3HG2 THR 62 3.092 -17.472 0.552 469 H MET 63 H MET 63 3.881 -17.219 -3.807 470 HA MET 63 HA MET 63 2.252 -19.478 -3.803 471 HB2 MET 63 1HB MET 63 1.849 -17.278 -4.994 472 HB3 MET 63 2HB MET 63 2.929 -17.856 -6.256 473 HG2 MET 63 1HG MET 63 1.279 -19.936 -6.167 474 HG3 MET 63 2HG MET 63 0.176 -18.695 -5.578 475 HE1 MET 63 1HE MET 63 2.190 -19.602 -9.287 476 HE2 MET 63 2HE MET 63 2.736 -17.930 -9.162 477 HE3 MET 63 3HE MET 63 3.054 -19.062 -7.847 478 H ALA 64 H ALA 64 5.148 -18.785 -5.739 479 HA ALA 64 HA ALA 64 5.159 -21.086 -7.306 480 HB1 ALA 64 1HB ALA 64 7.811 -20.176 -6.447 481 HB2 ALA 64 2HB ALA 64 7.128 -20.325 -8.067 482 HB3 ALA 64 3HB ALA 64 6.768 -18.905 -7.085 483 H ARG 65 H ARG 65 6.643 -20.519 -4.126 484 HA ARG 65 HA ARG 65 7.853 -23.037 -3.858 485 HB2 ARG 65 1HB ARG 65 6.928 -20.981 -1.865 486 HB3 ARG 65 2HB ARG 65 7.646 -22.500 -1.346 487 HG2 ARG 65 1HG ARG 65 9.690 -21.981 -2.526 488 HG3 ARG 65 2HG ARG 65 8.972 -20.501 -3.163 489 HD2 ARG 65 1HD ARG 65 10.359 -19.910 -1.309 490 HD3 ARG 65 2HD ARG 65 8.678 -19.718 -0.815 491 HE ARG 65 HE ARG 65 9.837 -22.275 -0.154 492 HH11 ARG 65 2HH1 ARG 65 9.281 -18.998 0.881 493 HH12 ARG 65 1HH1 ARG 65 9.443 -19.365 2.566 494 HH21 ARG 65 2HH2 ARG 65 10.052 -22.771 2.062 495 HH22 ARG 65 1HH2 ARG 65 9.882 -21.511 3.237 496 H HIS 66 H HIS 66 4.723 -21.856 -2.635 497 HA HIS 66 HA HIS 66 3.808 -24.042 -1.293 498 HB2 HIS 66 1HB HIS 66 2.331 -22.266 -1.230 499 HB3 HIS 66 2HB HIS 66 2.439 -21.978 -2.964 500 HD1 HIS 66 1HD HIS 66 0.853 -24.386 -0.513 501 HD2 HIS 66 2HD HIS 66 0.438 -23.108 -4.444 502 HE1 HIS 66 1HE HIS 66 -1.276 -25.438 -1.341 503 H ALA 67 H ALA 67 3.851 -23.575 -4.792 504 HA ALA 67 HA ALA 67 2.337 -25.692 -5.661 505 HB1 ALA 67 1HB ALA 67 4.747 -25.503 -7.237 506 HB2 ALA 67 2HB ALA 67 3.091 -25.061 -7.655 507 HB3 ALA 67 3HB ALA 67 4.129 -23.905 -6.821 508 H ASP 68 H ASP 68 5.749 -25.748 -4.685 509 HA ASP 68 HA ASP 68 6.351 -28.382 -5.303 510 HB2 ASP 68 1HB ASP 68 7.872 -26.501 -4.387 511 HB3 ASP 68 2HB ASP 68 7.378 -27.073 -2.796 512 H ASN 69 H ASN 69 5.019 -27.081 -2.272 513 HA ASN 69 HA ASN 69 4.593 -29.773 -1.257 514 HB2 ASN 69 1HB ASN 69 3.717 -27.230 0.097 515 HB3 ASN 69 2HB ASN 69 4.119 -28.780 0.830 516 HD21 ASN 69 1HD2 ASN 69 6.445 -29.492 0.282 517 HD22 ASN 69 2HD2 ASN 69 7.655 -28.278 0.496 518 H CYS 70 H CYS 70 3.010 -27.924 -3.387 519 HA CYS 70 HA CYS 70 0.319 -28.148 -2.398 520 HB2 CYS 70 1HB CYS 70 0.812 -26.308 -3.859 521 HB3 CYS 70 2HB CYS 70 1.448 -27.388 -5.095 522 H ALA 71 H ALA 71 -1.173 -29.684 -2.831 523 HA ALA 71 HA ALA 71 -0.225 -32.102 -4.174 524 HB1 ALA 71 1HB ALA 71 -2.855 -31.929 -2.772 525 HB2 ALA 71 2HB ALA 71 -1.758 -33.300 -2.939 526 HB3 ALA 71 3HB ALA 71 -1.364 -31.985 -1.831 527 H GLY 72 H GLY 72 -2.927 -29.804 -4.269 528 HA2 GLY 72 1HA GLY 72 -3.305 -29.532 -6.907 529 HA3 GLY 72 2HA GLY 72 -4.054 -31.095 -6.614 530 HA PRO 73 HA PRO 73 -7.297 -27.843 -6.050 531 HB2 PRO 73 1HB PRO 73 -9.207 -29.186 -7.434 532 HB3 PRO 73 2HB PRO 73 -8.031 -28.119 -8.210 533 HG2 PRO 73 1HG PRO 73 -8.014 -31.103 -7.973 534 HG3 PRO 73 2HG PRO 73 -7.620 -30.089 -9.374 535 HD2 PRO 73 1HD PRO 73 -5.719 -31.198 -7.797 536 HD3 PRO 73 2HD PRO 73 -5.495 -29.633 -8.604 537 H ASP 74 H ASP 74 -7.588 -28.215 -3.868 538 HA ASP 74 HA ASP 74 -9.823 -29.747 -3.092 539 HB2 ASP 74 1HB ASP 74 -8.607 -31.348 -1.574 540 HB3 ASP 74 2HB ASP 74 -8.442 -31.690 -3.294 541 H GLY 75 H GLY 75 -10.671 -28.712 -1.409 542 HA2 GLY 75 1HA GLY 75 -9.909 -28.108 1.009 543 HA3 GLY 75 2HA GLY 75 -8.927 -26.934 0.145 544 H VAL 76 H VAL 76 -10.192 -25.457 1.573 545 HA VAL 76 HA VAL 76 -12.903 -24.943 0.577 546 HB VAL 76 HB VAL 76 -13.132 -23.437 2.523 547 HG11 VAL 76 1HG1 VAL 76 -12.235 -26.246 3.157 548 HG12 VAL 76 2HG1 VAL 76 -13.144 -25.201 4.252 549 HG13 VAL 76 3HG1 VAL 76 -13.866 -25.729 2.731 550 HG21 VAL 76 1HG2 VAL 76 -10.788 -24.447 3.930 551 HG22 VAL 76 2HG2 VAL 76 -10.382 -23.436 2.544 552 HG23 VAL 76 3HG2 VAL 76 -11.422 -22.806 3.821 553 H GLU 77 H GLU 77 -13.399 -22.426 0.773 554 HA GLU 77 HA GLU 77 -11.212 -20.843 -0.337 555 HB2 GLU 77 1HB GLU 77 -13.837 -21.341 -1.741 556 HB3 GLU 77 2HB GLU 77 -12.764 -20.010 -2.151 557 HG2 GLU 77 1HG GLU 77 -11.022 -21.543 -2.782 558 HG3 GLU 77 2HG GLU 77 -11.987 -22.915 -2.240 559 H GLY 78 H GLY 78 -12.124 -18.509 -0.787 560 HA2 GLY 78 1HA GLY 78 -14.266 -17.692 0.965 561 HA3 GLY 78 2HA GLY 78 -12.669 -17.254 1.555 562 H GLU 79 H GLU 79 -14.352 -15.232 1.124 563 HA GLU 79 HA GLU 79 -13.372 -14.042 -1.387 564 HB2 GLU 79 1HB GLU 79 -16.083 -13.724 -0.094 565 HB3 GLU 79 2HB GLU 79 -15.497 -12.694 -1.392 566 HG2 GLU 79 1HG GLU 79 -16.068 -15.640 -1.502 567 HG3 GLU 79 2HG GLU 79 -16.899 -14.343 -2.359 568 H ASN 80 H ASN 80 -11.893 -12.574 -0.873 569 HA ASN 80 HA ASN 80 -11.855 -11.257 1.676 570 HB2 ASN 80 1HB ASN 80 -9.867 -10.078 0.759 571 HB3 ASN 80 2HB ASN 80 -9.753 -11.830 0.613 572 HD21 ASN 80 1HD2 ASN 80 -8.440 -9.678 -0.893 573 HD22 ASN 80 2HD2 ASN 80 -8.822 -9.972 -2.552 574 H SER 81 H SER 81 -12.319 -10.176 -1.683 575 HA SER 81 HA SER 81 -13.521 -7.701 -0.632 576 HB2 SER 81 1HB SER 81 -13.025 -6.793 -2.956 577 HB3 SER 81 2HB SER 81 -11.619 -7.123 -1.945 578 HG SER 81 HG SER 81 -10.992 -8.282 -3.580 579 H GLY 82 H GLY 82 -14.971 -6.749 -2.611 580 HA2 GLY 82 1HA GLY 82 -16.643 -8.865 -3.732 581 HA3 GLY 82 2HA GLY 82 -17.408 -7.780 -2.580 582 HA PRO 83 HA PRO 83 -17.112 -6.032 -7.051 583 HB2 PRO 83 1HB PRO 83 -19.468 -6.897 -8.087 584 HB3 PRO 83 2HB PRO 83 -17.955 -7.796 -8.258 585 HG2 PRO 83 1HG PRO 83 -20.200 -8.217 -6.323 586 HG3 PRO 83 2HG PRO 83 -19.279 -9.418 -7.246 587 HD2 PRO 83 1HD PRO 83 -18.783 -8.892 -4.636 588 HD3 PRO 83 2HD PRO 83 -17.507 -9.376 -5.772 589 H SER 84 H SER 84 -19.262 -4.892 -8.136 590 HA SER 84 HA SER 84 -19.992 -2.909 -6.210 591 HB2 SER 84 1HB SER 84 -19.633 -2.186 -8.469 592 HB3 SER 84 2HB SER 84 -20.804 -3.349 -9.089 593 HG SER 84 HG SER 84 -21.334 -1.084 -7.463 594 H SER 85 H SER 85 -22.101 -2.349 -5.524 595 HA SER 85 HA SER 85 -24.025 -4.581 -5.627 596 HB2 SER 85 1HB SER 85 -24.727 -4.020 -3.375 597 HB3 SER 85 2HB SER 85 -22.978 -4.246 -3.386 598 HG SER 85 HG SER 85 -23.362 -2.381 -2.273 599 H GLY 86 H GLY 86 -26.314 -3.818 -5.080 600 HA2 GLY 86 1HA GLY 86 -27.152 -1.989 -7.041 601 HA3 GLY 86 2HA GLY 86 -28.151 -2.610 -5.735 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -7.442 -41.792 3.017 2 HA2 GLY 1 1HA GLY 1 -9.811 -40.428 3.417 3 HA3 GLY 1 2HA GLY 1 -8.420 -40.321 4.486 4 H SER 2 H SER 2 -10.254 -38.218 3.967 5 HA SER 2 HA SER 2 -8.421 -36.276 2.735 6 HB2 SER 2 1HB SER 2 -11.318 -36.734 2.162 7 HB3 SER 2 2HB SER 2 -10.703 -35.082 2.113 8 HG SER 2 HG SER 2 -9.202 -37.008 0.790 9 H SER 3 H SER 3 -8.639 -34.097 3.518 10 HA SER 3 HA SER 3 -10.193 -33.720 5.956 11 HB2 SER 3 1HB SER 3 -7.180 -33.499 5.836 12 HB3 SER 3 2HB SER 3 -8.154 -32.804 7.131 13 HG SER 3 HG SER 3 -7.266 -35.275 6.936 14 H GLY 4 H GLY 4 -11.012 -31.721 6.081 15 HA2 GLY 4 1HA GLY 4 -9.776 -29.622 4.410 16 HA3 GLY 4 2HA GLY 4 -11.516 -29.863 4.455 17 H SER 5 H SER 5 -9.641 -27.598 5.247 18 HA SER 5 HA SER 5 -10.813 -27.163 7.913 19 HB2 SER 5 1HB SER 5 -8.005 -26.573 6.977 20 HB3 SER 5 2HB SER 5 -8.711 -25.785 8.388 21 HG SER 5 HG SER 5 -7.775 -27.537 9.237 22 H SER 6 H SER 6 -12.318 -25.651 7.664 23 HA SER 6 HA SER 6 -12.478 -23.823 5.554 24 HB2 SER 6 1HB SER 6 -14.435 -24.413 6.876 25 HB3 SER 6 2HB SER 6 -13.717 -23.687 8.314 26 HG SER 6 HG SER 6 -14.190 -22.210 5.949 27 H GLY 7 H GLY 7 -11.373 -23.337 8.904 28 HA2 GLY 7 1HA GLY 7 -9.607 -21.943 9.573 29 HA3 GLY 7 2HA GLY 7 -9.616 -21.204 7.979 30 H ARG 8 H ARG 8 -10.480 -19.240 7.789 31 HA ARG 8 HA ARG 8 -12.407 -18.349 9.822 32 HB2 ARG 8 1HB ARG 8 -11.267 -16.094 9.737 33 HB3 ARG 8 2HB ARG 8 -10.369 -17.370 10.547 34 HG2 ARG 8 1HG ARG 8 -9.862 -16.881 7.657 35 HG3 ARG 8 2HG ARG 8 -9.201 -15.757 8.846 36 HD2 ARG 8 1HD ARG 8 -8.801 -18.742 8.939 37 HD3 ARG 8 2HD ARG 8 -7.662 -17.618 8.198 38 HE ARG 8 HE ARG 8 -7.987 -18.142 10.983 39 HH11 ARG 8 2HH1 ARG 8 -7.131 -15.681 8.674 40 HH12 ARG 8 1HH1 ARG 8 -6.146 -14.793 9.789 41 HH21 ARG 8 2HH2 ARG 8 -6.693 -16.982 12.460 42 HH22 ARG 8 1HH2 ARG 8 -5.897 -15.535 11.942 43 H THR 9 H THR 9 -14.190 -17.522 8.960 44 HA THR 9 HA THR 9 -14.495 -17.257 6.145 45 HB THR 9 HB THR 9 -16.758 -16.360 6.696 46 HG1 THR 9 1HG THR 9 -17.356 -16.224 8.861 47 HG21 THR 9 1HG2 THR 9 -16.446 -18.755 6.453 48 HG22 THR 9 2HG2 THR 9 -17.594 -18.432 7.752 49 HG23 THR 9 3HG2 THR 9 -15.933 -18.883 8.136 50 H HIS 10 H HIS 10 -14.034 -15.576 4.895 51 HA HIS 10 HA HIS 10 -13.367 -13.020 6.127 52 HB2 HIS 10 1HB HIS 10 -12.792 -14.332 3.516 53 HB3 HIS 10 2HB HIS 10 -12.832 -12.572 3.551 54 HD1 HIS 10 1HD HIS 10 -10.523 -11.728 3.712 55 HD2 HIS 10 2HD HIS 10 -11.070 -15.147 6.008 56 HE1 HIS 10 1HE HIS 10 -8.320 -12.129 4.857 57 H THR 11 H THR 11 -16.103 -13.718 6.159 58 HA THR 11 HA THR 11 -17.369 -12.177 4.038 59 HB THR 11 HB THR 11 -18.612 -13.642 6.374 60 HG1 THR 11 1HG THR 11 -19.219 -14.758 4.063 61 HG21 THR 11 1HG2 THR 11 -20.261 -12.142 5.793 62 HG22 THR 11 2HG2 THR 11 -20.623 -13.469 4.690 63 HG23 THR 11 3HG2 THR 11 -19.740 -12.057 4.111 64 H GLY 12 H GLY 12 -18.202 -10.173 4.255 65 HA2 GLY 12 1HA GLY 12 -19.062 -8.971 6.629 66 HA3 GLY 12 2HA GLY 12 -17.378 -8.529 6.395 67 H GLU 13 H GLU 13 -19.634 -6.755 6.408 68 HA GLU 13 HA GLU 13 -20.226 -6.030 3.693 69 HB2 GLU 13 1HB GLU 13 -20.860 -4.892 6.386 70 HB3 GLU 13 2HB GLU 13 -21.087 -3.892 4.959 71 HG2 GLU 13 1HG GLU 13 -23.106 -5.157 5.781 72 HG3 GLU 13 2HG GLU 13 -22.713 -5.331 4.072 73 H LYS 14 H LYS 14 -19.738 -3.896 2.792 74 HA LYS 14 HA LYS 14 -17.034 -3.016 3.560 75 HB2 LYS 14 1HB LYS 14 -18.434 -2.960 0.884 76 HB3 LYS 14 2HB LYS 14 -16.895 -2.167 1.196 77 HG2 LYS 14 1HG LYS 14 -15.747 -4.146 1.342 78 HG3 LYS 14 2HG LYS 14 -17.176 -5.066 1.817 79 HD2 LYS 14 1HD LYS 14 -18.003 -5.117 -0.387 80 HD3 LYS 14 2HD LYS 14 -16.900 -3.845 -0.916 81 HE2 LYS 14 1HE LYS 14 -15.024 -5.481 -0.328 82 HE3 LYS 14 2HE LYS 14 -16.284 -6.713 -0.267 83 HZ1 LYS 14 1HZ LYS 14 -15.176 -6.577 -2.440 84 HZ2 LYS 14 2HZ LYS 14 -15.726 -4.988 -2.619 85 HZ3 LYS 14 3HZ LYS 14 -16.835 -6.264 -2.547 86 HA PRO 15 HA PRO 15 -19.529 0.604 4.723 87 HB2 PRO 15 1HB PRO 15 -17.683 1.571 6.463 88 HB3 PRO 15 2HB PRO 15 -18.835 0.301 6.892 89 HG2 PRO 15 1HG PRO 15 -15.965 0.059 6.079 90 HG3 PRO 15 2HG PRO 15 -16.836 -0.786 7.371 91 HD2 PRO 15 1HD PRO 15 -16.319 -1.932 4.973 92 HD3 PRO 15 2HD PRO 15 -17.776 -2.307 5.916 93 H TYR 16 H TYR 16 -16.155 0.399 3.730 94 HA TYR 16 HA TYR 16 -15.908 3.194 3.143 95 HB2 TYR 16 1HB TYR 16 -14.180 0.871 2.266 96 HB3 TYR 16 2HB TYR 16 -13.754 2.574 2.142 97 HD1 TYR 16 2HD TYR 16 -14.492 -0.135 4.564 98 HD2 TYR 16 1HD TYR 16 -12.775 3.710 3.959 99 HE1 TYR 16 2HE TYR 16 -13.517 -0.222 6.821 100 HE2 TYR 16 1HE TYR 16 -11.795 3.634 6.213 101 HH TYR 16 HH TYR 16 -12.700 1.315 8.533 102 H ALA 17 H ALA 17 -17.303 3.941 1.641 103 HA ALA 17 HA ALA 17 -17.500 2.498 -0.914 104 HB1 ALA 17 1HB ALA 17 -19.377 4.179 0.631 105 HB2 ALA 17 2HB ALA 17 -19.445 4.321 -1.126 106 HB3 ALA 17 3HB ALA 17 -19.680 2.751 -0.359 107 H CYS 18 H CYS 18 -16.259 3.247 -2.491 108 HA CYS 18 HA CYS 18 -14.762 5.575 -2.449 109 HB2 CYS 18 1HB CYS 18 -14.604 3.523 -4.015 110 HB3 CYS 18 2HB CYS 18 -15.758 4.386 -5.027 111 H SER 19 H SER 19 -14.968 7.602 -3.417 112 HA SER 19 HA SER 19 -17.699 8.568 -3.571 113 HB2 SER 19 1HB SER 19 -16.717 10.790 -3.594 114 HB3 SER 19 2HB SER 19 -15.945 9.830 -2.332 115 HG SER 19 HG SER 19 -14.299 9.383 -4.012 116 H HIS 20 H HIS 20 -14.816 8.594 -5.661 117 HA HIS 20 HA HIS 20 -15.973 9.780 -7.898 118 HB2 HIS 20 1HB HIS 20 -13.731 7.770 -7.671 119 HB3 HIS 20 2HB HIS 20 -14.169 8.554 -9.185 120 HD1 HIS 20 1HD HIS 20 -13.995 10.289 -5.833 121 HD2 HIS 20 2HD HIS 20 -11.961 10.159 -9.454 122 HE1 HIS 20 1HE HIS 20 -12.314 12.156 -5.727 123 H CYS 21 H CYS 21 -15.766 6.351 -7.011 124 HA CYS 21 HA CYS 21 -17.756 5.775 -9.108 125 HB2 CYS 21 1HB CYS 21 -16.855 3.526 -9.248 126 HB3 CYS 21 2HB CYS 21 -15.557 4.692 -9.480 127 H ASP 22 H ASP 22 -18.884 3.552 -8.514 128 HA ASP 22 HA ASP 22 -20.042 3.965 -5.853 129 HB2 ASP 22 1HB ASP 22 -21.406 3.849 -8.077 130 HB3 ASP 22 2HB ASP 22 -21.191 2.109 -7.910 131 H LYS 23 H LYS 23 -17.487 2.664 -6.173 132 HA LYS 23 HA LYS 23 -18.002 -0.162 -5.722 133 HB2 LYS 23 1HB LYS 23 -15.451 1.451 -5.836 134 HB3 LYS 23 2HB LYS 23 -15.496 -0.274 -5.498 135 HG2 LYS 23 1HG LYS 23 -16.890 0.636 -7.940 136 HG3 LYS 23 2HG LYS 23 -15.127 0.724 -7.942 137 HD2 LYS 23 1HD LYS 23 -15.438 -1.408 -8.728 138 HD3 LYS 23 2HD LYS 23 -15.330 -1.722 -6.994 139 HE2 LYS 23 1HE LYS 23 -17.681 -1.925 -6.794 140 HE3 LYS 23 2HE LYS 23 -17.947 -1.260 -8.405 141 HZ1 LYS 23 1HZ LYS 23 -17.586 -3.233 -9.366 142 HZ2 LYS 23 2HZ LYS 23 -17.903 -3.878 -7.834 143 HZ3 LYS 23 3HZ LYS 23 -16.305 -3.637 -8.336 144 H THR 24 H THR 24 -17.147 -1.263 -3.827 145 HA THR 24 HA THR 24 -16.900 0.439 -1.446 146 HB THR 24 HB THR 24 -18.319 -1.140 -0.164 147 HG1 THR 24 1HG THR 24 -18.028 -2.727 -2.139 148 HG21 THR 24 1HG2 THR 24 -19.826 0.460 -0.553 149 HG22 THR 24 2HG2 THR 24 -20.414 -0.518 -1.898 150 HG23 THR 24 3HG2 THR 24 -19.204 0.734 -2.179 151 H PHE 25 H PHE 25 -15.735 -0.477 0.287 152 HA PHE 25 HA PHE 25 -14.455 -3.062 -0.157 153 HB2 PHE 25 1HB PHE 25 -12.764 -0.667 0.537 154 HB3 PHE 25 2HB PHE 25 -12.236 -2.261 0.009 155 HD1 PHE 25 1HD PHE 25 -14.091 0.744 -1.145 156 HD2 PHE 25 2HD PHE 25 -11.768 -2.655 -2.228 157 HE1 PHE 25 1HE PHE 25 -14.000 1.550 -3.468 158 HE2 PHE 25 2HE PHE 25 -11.673 -1.854 -4.552 159 HZ PHE 25 HZ PHE 25 -12.789 0.251 -5.175 160 H ARG 26 H ARG 26 -13.471 -3.951 1.744 161 HA ARG 26 HA ARG 26 -14.916 -3.306 4.127 162 HB2 ARG 26 1HB ARG 26 -13.576 -5.141 5.137 163 HB3 ARG 26 2HB ARG 26 -14.405 -5.615 3.661 164 HG2 ARG 26 1HG ARG 26 -12.096 -4.927 2.572 165 HG3 ARG 26 2HG ARG 26 -11.507 -5.296 4.194 166 HD2 ARG 26 1HD ARG 26 -13.276 -7.189 2.675 167 HD3 ARG 26 2HD ARG 26 -11.525 -7.190 2.474 168 HE ARG 26 HE ARG 26 -12.093 -7.333 5.207 169 HH11 ARG 26 2HH1 ARG 26 -12.446 -9.254 2.325 170 HH12 ARG 26 1HH1 ARG 26 -12.356 -10.766 3.166 171 HH21 ARG 26 2HH2 ARG 26 -11.974 -9.317 6.325 172 HH22 ARG 26 1HH2 ARG 26 -12.088 -10.801 5.441 173 H GLN 27 H GLN 27 -11.429 -3.352 3.365 174 HA GLN 27 HA GLN 27 -10.970 -1.556 5.638 175 HB2 GLN 27 1HB GLN 27 -9.078 -3.263 4.018 176 HB3 GLN 27 2HB GLN 27 -8.554 -2.139 5.265 177 HG2 GLN 27 1HG GLN 27 -10.385 -4.490 5.694 178 HG3 GLN 27 2HG GLN 27 -8.663 -4.447 6.070 179 HE21 GLN 27 1HE2 GLN 27 -8.074 -2.451 7.456 180 HE22 GLN 27 2HE2 GLN 27 -9.095 -2.181 8.823 181 H LYS 28 H LYS 28 -10.017 0.431 5.413 182 HA LYS 28 HA LYS 28 -10.483 1.922 3.132 183 HB2 LYS 28 1HB LYS 28 -10.120 3.010 5.243 184 HB3 LYS 28 2HB LYS 28 -8.491 2.358 5.359 185 HG2 LYS 28 1HG LYS 28 -8.063 4.505 4.693 186 HG3 LYS 28 2HG LYS 28 -8.118 3.676 3.135 187 HD2 LYS 28 1HD LYS 28 -10.620 4.306 3.140 188 HD3 LYS 28 2HD LYS 28 -10.173 5.459 4.400 189 HE2 LYS 28 1HE LYS 28 -8.945 6.754 2.968 190 HE3 LYS 28 2HE LYS 28 -8.553 5.402 1.907 191 HZ1 LYS 28 1HZ LYS 28 -11.296 6.491 2.108 192 HZ2 LYS 28 2HZ LYS 28 -10.646 5.504 0.898 193 HZ3 LYS 28 3HZ LYS 28 -10.161 7.120 1.022 194 H GLN 29 H GLN 29 -7.660 0.041 4.022 195 HA GLN 29 HA GLN 29 -5.768 1.002 2.263 196 HB2 GLN 29 1HB GLN 29 -5.166 -0.662 3.878 197 HB3 GLN 29 2HB GLN 29 -6.292 -1.823 3.186 198 HG2 GLN 29 1HG GLN 29 -4.952 -2.135 1.274 199 HG3 GLN 29 2HG GLN 29 -3.958 -0.728 1.650 200 HE21 GLN 29 1HE2 GLN 29 -2.108 -2.058 1.495 201 HE22 GLN 29 2HE2 GLN 29 -1.666 -3.121 2.783 202 H LEU 30 H LEU 30 -8.301 -1.403 1.648 203 HA LEU 30 HA LEU 30 -7.568 -1.981 -1.008 204 HB2 LEU 30 1HB LEU 30 -10.084 -2.274 0.581 205 HB3 LEU 30 2HB LEU 30 -10.092 -2.599 -1.151 206 HG LEU 30 HG LEU 30 -9.828 -4.694 -0.139 207 HD11 LEU 30 1HD1 LEU 30 -7.957 -3.768 -1.842 208 HD12 LEU 30 2HD1 LEU 30 -8.015 -5.428 -1.252 209 HD13 LEU 30 3HD1 LEU 30 -6.937 -4.259 -0.489 210 HD21 LEU 30 1HD2 LEU 30 -8.095 -5.133 1.586 211 HD22 LEU 30 2HD2 LEU 30 -9.359 -4.025 2.118 212 HD23 LEU 30 3HD2 LEU 30 -7.777 -3.399 1.651 213 H LEU 31 H LEU 31 -9.944 0.302 0.323 214 HA LEU 31 HA LEU 31 -10.755 1.306 -2.211 215 HB2 LEU 31 1HB LEU 31 -12.284 1.571 -0.451 216 HB3 LEU 31 2HB LEU 31 -11.066 2.272 0.612 217 HG LEU 31 HG LEU 31 -11.082 4.326 -0.688 218 HD11 LEU 31 1HD1 LEU 31 -11.632 4.171 -2.839 219 HD12 LEU 31 2HD1 LEU 31 -13.312 4.186 -2.303 220 HD13 LEU 31 3HD1 LEU 31 -12.493 2.651 -2.594 221 HD21 LEU 31 1HD2 LEU 31 -12.628 4.234 1.135 222 HD22 LEU 31 2HD2 LEU 31 -13.800 3.342 0.165 223 HD23 LEU 31 3HD2 LEU 31 -13.432 5.024 -0.222 224 H ASP 32 H ASP 32 -7.992 1.799 -0.308 225 HA ASP 32 HA ASP 32 -7.437 4.476 -1.254 226 HB2 ASP 32 1HB ASP 32 -6.724 3.571 1.007 227 HB3 ASP 32 2HB ASP 32 -5.528 2.604 0.148 228 H MET 33 H MET 33 -6.183 1.204 -1.818 229 HA MET 33 HA MET 33 -4.320 2.087 -3.818 230 HB2 MET 33 1HB MET 33 -3.777 -0.236 -4.098 231 HB3 MET 33 2HB MET 33 -3.953 0.082 -2.378 232 HG2 MET 33 1HG MET 33 -5.083 -1.894 -2.589 233 HG3 MET 33 2HG MET 33 -6.394 -0.729 -2.757 234 HE1 MET 33 1HE MET 33 -6.539 -3.682 -3.471 235 HE2 MET 33 2HE MET 33 -7.947 -2.796 -4.056 236 HE3 MET 33 3HE MET 33 -7.071 -3.876 -5.142 237 H HIS 34 H HIS 34 -7.601 0.947 -3.755 238 HA HIS 34 HA HIS 34 -7.851 0.138 -6.440 239 HB2 HIS 34 1HB HIS 34 -9.675 -0.556 -5.247 240 HB3 HIS 34 2HB HIS 34 -9.719 0.902 -4.260 241 HD1 HIS 34 1HD HIS 34 -11.075 -0.588 -7.376 242 HD2 HIS 34 2HD HIS 34 -11.154 3.065 -5.398 243 HE1 HIS 34 1HE HIS 34 -12.908 0.734 -8.478 244 H PHE 35 H PHE 35 -8.389 3.269 -4.866 245 HA PHE 35 HA PHE 35 -9.350 4.646 -7.109 246 HB2 PHE 35 1HB PHE 35 -9.476 5.483 -4.771 247 HB3 PHE 35 2HB PHE 35 -7.741 5.779 -4.812 248 HD1 PHE 35 2HD PHE 35 -6.958 7.257 -6.876 249 HD2 PHE 35 1HD PHE 35 -10.874 7.243 -5.208 250 HE1 PHE 35 2HE PHE 35 -7.361 9.496 -7.813 251 HE2 PHE 35 1HE PHE 35 -11.284 9.482 -6.144 252 HZ PHE 35 HZ PHE 35 -9.526 10.611 -7.447 253 H LYS 36 H LYS 36 -6.048 4.416 -5.807 254 HA LYS 36 HA LYS 36 -4.898 5.902 -7.964 255 HB2 LYS 36 1HB LYS 36 -3.897 4.452 -5.575 256 HB3 LYS 36 2HB LYS 36 -2.766 4.657 -6.906 257 HG2 LYS 36 1HG LYS 36 -2.772 6.969 -6.725 258 HG3 LYS 36 2HG LYS 36 -4.299 6.993 -5.840 259 HD2 LYS 36 1HD LYS 36 -1.734 5.838 -4.754 260 HD3 LYS 36 2HD LYS 36 -2.286 7.485 -4.443 261 HE2 LYS 36 1HE LYS 36 -3.181 6.491 -2.612 262 HE3 LYS 36 2HE LYS 36 -4.497 6.170 -3.741 263 HZ1 LYS 36 1HZ LYS 36 -2.388 4.186 -3.704 264 HZ2 LYS 36 2HZ LYS 36 -4.066 3.982 -3.753 265 HZ3 LYS 36 3HZ LYS 36 -3.294 4.290 -2.279 266 H ARG 37 H ARG 37 -6.151 2.845 -7.823 267 HA ARG 37 HA ARG 37 -4.226 1.694 -9.705 268 HB2 ARG 37 1HB ARG 37 -4.904 0.285 -7.823 269 HB3 ARG 37 2HB ARG 37 -6.590 0.444 -8.295 270 HG2 ARG 37 1HG ARG 37 -5.624 -0.532 -10.576 271 HG3 ARG 37 2HG ARG 37 -4.438 -1.213 -9.461 272 HD2 ARG 37 1HD ARG 37 -7.326 -1.438 -8.779 273 HD3 ARG 37 2HD ARG 37 -6.679 -2.483 -10.042 274 HE ARG 37 HE ARG 37 -5.175 -2.459 -7.572 275 HH11 ARG 37 2HH1 ARG 37 -7.701 -3.972 -9.430 276 HH12 ARG 37 1HH1 ARG 37 -7.612 -5.474 -8.572 277 HH21 ARG 37 2HH2 ARG 37 -5.048 -4.432 -6.434 278 HH22 ARG 37 1HH2 ARG 37 -6.104 -5.735 -6.867 279 H TYR 38 H TYR 38 -7.784 1.800 -9.424 280 HA TYR 38 HA TYR 38 -8.190 1.342 -12.198 281 HB2 TYR 38 1HB TYR 38 -9.988 2.220 -9.951 282 HB3 TYR 38 2HB TYR 38 -10.573 2.132 -11.609 283 HD1 TYR 38 1HD TYR 38 -8.603 -0.017 -9.258 284 HD2 TYR 38 2HD TYR 38 -11.700 0.208 -12.167 285 HE1 TYR 38 1HE TYR 38 -9.041 -2.420 -8.969 286 HE2 TYR 38 2HE TYR 38 -12.148 -2.194 -11.885 287 HH TYR 38 HH TYR 38 -10.051 -4.287 -10.360 288 H HIS 39 H HIS 39 -9.112 4.216 -10.297 289 HA HIS 39 HA HIS 39 -9.492 5.914 -12.468 290 HB2 HIS 39 1HB HIS 39 -8.595 6.680 -9.682 291 HB3 HIS 39 2HB HIS 39 -9.342 7.754 -10.861 292 HD1 HIS 39 1HD HIS 39 -11.776 6.354 -11.758 293 HD2 HIS 39 2HD HIS 39 -10.463 6.126 -7.823 294 HE1 HIS 39 1HE HIS 39 -13.804 5.729 -10.409 295 H ASP 40 H ASP 40 -6.619 4.600 -11.322 296 HA ASP 40 HA ASP 40 -5.073 6.301 -13.096 297 HB2 ASP 40 1HB ASP 40 -5.041 7.332 -10.761 298 HB3 ASP 40 2HB ASP 40 -4.119 5.916 -10.261 299 HA PRO 41 HA PRO 41 -3.623 2.109 -13.757 300 HB2 PRO 41 1HB PRO 41 -2.233 2.693 -16.015 301 HB3 PRO 41 2HB PRO 41 -3.987 2.479 -15.995 302 HG2 PRO 41 1HG PRO 41 -2.387 5.009 -15.971 303 HG3 PRO 41 2HG PRO 41 -3.849 4.619 -16.895 304 HD2 PRO 41 1HD PRO 41 -3.909 6.103 -14.631 305 HD3 PRO 41 2HD PRO 41 -5.242 5.030 -15.105 306 H ASN 42 H ASN 42 -2.075 4.713 -12.544 307 HA ASN 42 HA ASN 42 0.659 4.030 -13.013 308 HB2 ASN 42 1HB ASN 42 -0.782 5.942 -11.217 309 HB3 ASN 42 2HB ASN 42 0.912 5.580 -10.896 310 HD21 ASN 42 1HD2 ASN 42 -1.082 6.190 -13.772 311 HD22 ASN 42 2HD2 ASN 42 -0.022 7.366 -14.463 312 H PHE 43 H PHE 43 -1.308 3.910 -10.035 313 HA PHE 43 HA PHE 43 0.568 2.212 -8.705 314 HB2 PHE 43 1HB PHE 43 -0.998 3.868 -7.591 315 HB3 PHE 43 2HB PHE 43 -2.295 2.716 -7.893 316 HD1 PHE 43 1HD PHE 43 -1.644 0.221 -7.115 317 HD2 PHE 43 2HD PHE 43 -0.063 3.831 -5.507 318 HE1 PHE 43 1HE PHE 43 -1.083 -0.957 -5.029 319 HE2 PHE 43 2HE PHE 43 0.501 2.658 -3.419 320 HZ PHE 43 HZ PHE 43 -0.008 0.261 -3.178 321 H VAL 44 H VAL 44 0.551 0.041 -8.424 322 HA VAL 44 HA VAL 44 -1.742 -1.556 -9.162 323 HB VAL 44 HB VAL 44 -0.775 -1.293 -11.353 324 HG11 VAL 44 1HG1 VAL 44 1.809 -2.417 -10.297 325 HG12 VAL 44 2HG1 VAL 44 1.489 -1.743 -11.896 326 HG13 VAL 44 3HG1 VAL 44 1.512 -0.689 -10.481 327 HG21 VAL 44 1HG2 VAL 44 0.294 -3.908 -11.180 328 HG22 VAL 44 2HG2 VAL 44 -1.024 -3.796 -10.015 329 HG23 VAL 44 3HG2 VAL 44 -1.314 -3.418 -11.713 330 HA PRO 45 HA PRO 45 0.349 -3.569 -5.720 331 HB2 PRO 45 1HB PRO 45 -1.777 -5.116 -5.044 332 HB3 PRO 45 2HB PRO 45 -1.639 -3.417 -4.578 333 HG2 PRO 45 1HG PRO 45 -3.179 -4.644 -6.833 334 HG3 PRO 45 2HG PRO 45 -3.670 -3.364 -5.708 335 HD2 PRO 45 1HD PRO 45 -2.813 -2.844 -8.224 336 HD3 PRO 45 2HD PRO 45 -2.528 -1.732 -6.869 337 H ALA 46 H ALA 46 1.182 -5.639 -5.378 338 HA ALA 46 HA ALA 46 1.478 -7.249 -7.722 339 HB1 ALA 46 1HB ALA 46 3.402 -7.511 -6.610 340 HB2 ALA 46 2HB ALA 46 2.669 -7.116 -5.055 341 HB3 ALA 46 3HB ALA 46 2.537 -8.751 -5.703 342 H ALA 47 H ALA 47 -0.152 -8.490 -8.398 343 HA ALA 47 HA ALA 47 -1.573 -10.124 -6.397 344 HB1 ALA 47 1HB ALA 47 -3.566 -9.989 -7.685 345 HB2 ALA 47 2HB ALA 47 -2.951 -8.345 -7.510 346 HB3 ALA 47 3HB ALA 47 -2.722 -9.215 -9.027 347 H PHE 48 H PHE 48 -0.750 -12.116 -6.513 348 HA PHE 48 HA PHE 48 -0.314 -13.284 -9.183 349 HB2 PHE 48 1HB PHE 48 1.084 -13.911 -6.575 350 HB3 PHE 48 2HB PHE 48 1.325 -14.798 -8.077 351 HD1 PHE 48 2HD PHE 48 1.405 -11.287 -6.816 352 HD2 PHE 48 1HD PHE 48 3.118 -14.220 -9.381 353 HE1 PHE 48 2HE PHE 48 3.153 -9.685 -7.474 354 HE2 PHE 48 1HE PHE 48 4.870 -12.623 -10.043 355 HZ PHE 48 HZ PHE 48 4.888 -10.352 -9.090 356 H VAL 49 H VAL 49 -1.879 -14.651 -9.703 357 HA VAL 49 HA VAL 49 -3.352 -16.050 -7.604 358 HB VAL 49 HB VAL 49 -3.871 -15.528 -10.509 359 HG11 VAL 49 1HG1 VAL 49 -5.291 -17.586 -8.820 360 HG12 VAL 49 2HG1 VAL 49 -5.801 -17.039 -10.418 361 HG13 VAL 49 3HG1 VAL 49 -4.279 -17.910 -10.228 362 HG21 VAL 49 1HG2 VAL 49 -4.699 -13.862 -9.031 363 HG22 VAL 49 2HG2 VAL 49 -6.086 -14.825 -9.539 364 HG23 VAL 49 3HG2 VAL 49 -5.379 -15.071 -7.942 365 H CYS 50 H CYS 50 -3.505 -18.269 -7.453 366 HA CYS 50 HA CYS 50 -1.251 -19.754 -8.397 367 HB2 CYS 50 1HB CYS 50 -2.496 -20.066 -6.181 368 HB3 CYS 50 2HB CYS 50 -3.715 -20.926 -7.116 369 H SER 51 H SER 51 -1.114 -21.240 -10.003 370 HA SER 51 HA SER 51 -3.294 -21.276 -11.933 371 HB2 SER 51 1HB SER 51 -0.382 -21.913 -12.002 372 HB3 SER 51 2HB SER 51 -1.428 -22.727 -13.166 373 HG SER 51 HG SER 51 -0.699 -20.799 -14.053 374 H LYS 52 H LYS 52 -2.488 -23.040 -9.290 375 HA LYS 52 HA LYS 52 -3.194 -25.642 -10.411 376 HB2 LYS 52 1HB LYS 52 -2.336 -24.832 -7.627 377 HB3 LYS 52 2HB LYS 52 -2.698 -26.482 -8.119 378 HG2 LYS 52 1HG LYS 52 -0.884 -25.914 -9.974 379 HG3 LYS 52 2HG LYS 52 -0.345 -24.791 -8.723 380 HD2 LYS 52 1HD LYS 52 0.024 -26.532 -7.177 381 HD3 LYS 52 2HD LYS 52 -0.884 -27.693 -8.148 382 HE2 LYS 52 1HE LYS 52 1.532 -26.397 -9.319 383 HE3 LYS 52 2HE LYS 52 1.743 -27.694 -8.143 384 HZ1 LYS 52 1HZ LYS 52 1.261 -27.969 -10.837 385 HZ2 LYS 52 2HZ LYS 52 -0.199 -28.391 -10.095 386 HZ3 LYS 52 3HZ LYS 52 1.228 -29.195 -9.672 387 H CYS 53 H CYS 53 -4.224 -23.669 -7.618 388 HA CYS 53 HA CYS 53 -6.856 -24.955 -7.761 389 HB2 CYS 53 1HB CYS 53 -7.210 -24.046 -5.500 390 HB3 CYS 53 2HB CYS 53 -5.754 -25.033 -5.582 391 H GLY 54 H GLY 54 -5.307 -21.773 -7.687 392 HA2 GLY 54 1HA GLY 54 -6.165 -20.026 -9.127 393 HA3 GLY 54 2HA GLY 54 -7.780 -20.658 -8.844 394 H LYS 55 H LYS 55 -5.328 -20.139 -6.372 395 HA LYS 55 HA LYS 55 -7.176 -18.365 -4.977 396 HB2 LYS 55 1HB LYS 55 -5.743 -20.379 -4.002 397 HB3 LYS 55 2HB LYS 55 -4.526 -19.120 -3.835 398 HG2 LYS 55 1HG LYS 55 -5.999 -17.816 -2.444 399 HG3 LYS 55 2HG LYS 55 -7.308 -18.974 -2.693 400 HD2 LYS 55 1HD LYS 55 -5.966 -20.710 -1.589 401 HD3 LYS 55 2HD LYS 55 -4.677 -19.534 -1.322 402 HE2 LYS 55 1HE LYS 55 -5.827 -19.573 0.706 403 HE3 LYS 55 2HE LYS 55 -6.464 -18.147 -0.112 404 HZ1 LYS 55 1HZ LYS 55 -8.315 -19.272 0.743 405 HZ2 LYS 55 2HZ LYS 55 -7.761 -20.785 0.229 406 HZ3 LYS 55 3HZ LYS 55 -8.309 -19.655 -0.905 407 H THR 56 H THR 56 -6.612 -16.297 -4.244 408 HA THR 56 HA THR 56 -4.648 -14.952 -5.932 409 HB THR 56 HB THR 56 -5.666 -12.868 -4.784 410 HG1 THR 56 1HG THR 56 -7.925 -14.480 -4.372 411 HG21 THR 56 1HG2 THR 56 -7.022 -14.664 -6.760 412 HG22 THR 56 2HG2 THR 56 -6.208 -13.122 -7.026 413 HG23 THR 56 3HG2 THR 56 -7.793 -13.161 -6.255 414 H PHE 57 H PHE 57 -2.768 -14.150 -5.216 415 HA PHE 57 HA PHE 57 -2.291 -14.141 -2.308 416 HB2 PHE 57 1HB PHE 57 -0.412 -14.939 -4.536 417 HB3 PHE 57 2HB PHE 57 0.108 -14.659 -2.877 418 HD1 PHE 57 1HD PHE 57 -2.070 -16.768 -4.996 419 HD2 PHE 57 2HD PHE 57 -0.110 -16.327 -1.244 420 HE1 PHE 57 1HE PHE 57 -2.622 -19.100 -4.437 421 HE2 PHE 57 2HE PHE 57 -0.657 -18.658 -0.680 422 HZ PHE 57 HZ PHE 57 -1.914 -20.048 -2.277 423 H THR 58 H THR 58 -0.831 -12.550 -1.508 424 HA THR 58 HA THR 58 -1.001 -10.057 -2.966 425 HB THR 58 HB THR 58 -1.454 -10.061 -0.560 426 HG1 THR 58 1HG THR 58 0.981 -8.665 -0.812 427 HG21 THR 58 1HG2 THR 58 1.378 -10.361 0.196 428 HG22 THR 58 2HG2 THR 58 0.575 -11.841 -0.328 429 HG23 THR 58 3HG2 THR 58 -0.081 -10.911 1.019 430 H ARG 59 H ARG 59 1.413 -12.440 -2.163 431 HA ARG 59 HA ARG 59 3.417 -10.827 -3.601 432 HB2 ARG 59 1HB ARG 59 4.028 -10.945 -1.258 433 HB3 ARG 59 2HB ARG 59 3.839 -12.694 -1.262 434 HG2 ARG 59 1HG ARG 59 5.694 -12.828 -2.913 435 HG3 ARG 59 2HG ARG 59 5.932 -11.091 -2.712 436 HD2 ARG 59 1HD ARG 59 6.036 -11.731 -0.165 437 HD3 ARG 59 2HD ARG 59 6.456 -13.320 -0.803 438 HE ARG 59 HE ARG 59 8.005 -11.166 -1.917 439 HH11 ARG 59 2HH1 ARG 59 7.736 -13.466 0.683 440 HH12 ARG 59 1HH1 ARG 59 9.429 -13.446 1.049 441 HH21 ARG 59 2HH2 ARG 59 10.236 -11.131 -1.444 442 HH22 ARG 59 1HH2 ARG 59 10.850 -12.117 -0.160 443 H ARG 60 H ARG 60 4.967 -12.005 -4.853 444 HA ARG 60 HA ARG 60 3.812 -14.202 -6.258 445 HB2 ARG 60 1HB ARG 60 5.284 -12.455 -7.288 446 HB3 ARG 60 2HB ARG 60 6.645 -13.169 -6.435 447 HG2 ARG 60 1HG ARG 60 4.988 -14.938 -8.149 448 HG3 ARG 60 2HG ARG 60 6.083 -13.796 -8.931 449 HD2 ARG 60 1HD ARG 60 7.975 -14.739 -7.878 450 HD3 ARG 60 2HD ARG 60 6.981 -15.649 -6.741 451 HE ARG 60 HE ARG 60 6.210 -16.680 -9.088 452 HH11 ARG 60 2HH1 ARG 60 9.367 -16.056 -7.760 453 HH12 ARG 60 1HH1 ARG 60 10.125 -17.365 -8.606 454 HH21 ARG 60 2HH2 ARG 60 7.196 -18.406 -10.207 455 HH22 ARG 60 1HH2 ARG 60 8.889 -18.700 -9.998 456 H ASN 61 H ASN 61 7.020 -14.024 -4.711 457 HA ASN 61 HA ASN 61 7.736 -16.607 -4.629 458 HB2 ASN 61 1HB ASN 61 9.022 -14.716 -3.626 459 HB3 ASN 61 2HB ASN 61 7.963 -14.790 -2.221 460 HD21 ASN 61 1HD2 ASN 61 10.099 -16.814 -4.188 461 HD22 ASN 61 2HD2 ASN 61 10.696 -17.763 -2.873 462 H THR 62 H THR 62 5.659 -15.104 -2.155 463 HA THR 62 HA THR 62 5.175 -17.302 -0.568 464 HB THR 62 HB THR 62 3.147 -15.176 -1.288 465 HG1 THR 62 1HG THR 62 5.489 -15.005 0.012 466 HG21 THR 62 1HG2 THR 62 3.122 -16.212 1.426 467 HG22 THR 62 2HG2 THR 62 2.817 -17.473 0.230 468 HG23 THR 62 3HG2 THR 62 1.798 -16.034 0.275 469 H MET 63 H MET 63 3.476 -16.332 -3.528 470 HA MET 63 HA MET 63 1.585 -18.451 -3.449 471 HB2 MET 63 1HB MET 63 1.290 -16.326 -4.725 472 HB3 MET 63 2HB MET 63 2.518 -16.879 -5.855 473 HG2 MET 63 1HG MET 63 0.173 -18.628 -5.329 474 HG3 MET 63 2HG MET 63 -0.038 -17.202 -6.343 475 HE1 MET 63 1HE MET 63 2.250 -16.942 -8.532 476 HE2 MET 63 2HE MET 63 1.348 -18.001 -9.615 477 HE3 MET 63 3HE MET 63 0.487 -16.923 -8.516 478 H ALA 64 H ALA 64 4.534 -17.955 -5.387 479 HA ALA 64 HA ALA 64 4.583 -20.249 -6.863 480 HB1 ALA 64 1HB ALA 64 6.274 -18.317 -6.768 481 HB2 ALA 64 2HB ALA 64 7.087 -19.277 -5.532 482 HB3 ALA 64 3HB ALA 64 6.872 -19.930 -7.157 483 H ARG 65 H ARG 65 5.873 -19.885 -3.562 484 HA ARG 65 HA ARG 65 6.717 -22.535 -3.236 485 HB2 ARG 65 1HB ARG 65 5.734 -20.617 -1.115 486 HB3 ARG 65 2HB ARG 65 6.693 -22.063 -0.830 487 HG2 ARG 65 1HG ARG 65 8.359 -20.895 -2.490 488 HG3 ARG 65 2HG ARG 65 7.504 -19.441 -1.970 489 HD2 ARG 65 1HD ARG 65 9.470 -19.825 -0.589 490 HD3 ARG 65 2HD ARG 65 7.995 -19.990 0.363 491 HE ARG 65 HE ARG 65 8.496 -22.528 -0.364 492 HH11 ARG 65 2HH1 ARG 65 10.500 -20.054 1.046 493 HH12 ARG 65 1HH1 ARG 65 11.505 -21.175 1.903 494 HH21 ARG 65 2HH2 ARG 65 9.813 -24.013 0.759 495 HH22 ARG 65 1HH2 ARG 65 11.115 -23.426 1.739 496 H HIS 66 H HIS 66 3.623 -20.983 -2.475 497 HA HIS 66 HA HIS 66 2.375 -23.117 -1.198 498 HB2 HIS 66 1HB HIS 66 1.183 -21.134 -1.054 499 HB3 HIS 66 2HB HIS 66 1.386 -20.766 -2.764 500 HD1 HIS 66 1HD HIS 66 -0.622 -23.014 -0.482 501 HD2 HIS 66 2HD HIS 66 -0.684 -21.561 -4.374 502 HE1 HIS 66 1HE HIS 66 -2.845 -23.716 -1.426 503 H ALA 67 H ALA 67 2.394 -22.278 -4.654 504 HA ALA 67 HA ALA 67 0.737 -24.189 -5.683 505 HB1 ALA 67 1HB ALA 67 1.740 -22.519 -7.091 506 HB2 ALA 67 2HB ALA 67 3.345 -23.204 -6.831 507 HB3 ALA 67 3HB ALA 67 2.133 -24.115 -7.732 508 H ASP 68 H ASP 68 4.120 -24.596 -4.727 509 HA ASP 68 HA ASP 68 4.552 -27.173 -5.671 510 HB2 ASP 68 1HB ASP 68 5.637 -26.008 -3.099 511 HB3 ASP 68 2HB ASP 68 6.337 -27.328 -4.032 512 H ASN 69 H ASN 69 3.349 -26.164 -2.475 513 HA ASN 69 HA ASN 69 2.739 -28.911 -1.773 514 HB2 ASN 69 1HB ASN 69 2.604 -26.280 -0.331 515 HB3 ASN 69 2HB ASN 69 1.769 -27.689 0.317 516 HD21 ASN 69 1HD2 ASN 69 4.230 -26.034 1.062 517 HD22 ASN 69 2HD2 ASN 69 5.428 -27.231 1.405 518 H CYS 70 H CYS 70 1.269 -26.716 -3.672 519 HA CYS 70 HA CYS 70 -1.444 -26.988 -2.737 520 HB2 CYS 70 1HB CYS 70 -0.803 -24.949 -3.886 521 HB3 CYS 70 2HB CYS 70 -0.305 -25.866 -5.305 522 H ALA 71 H ALA 71 -3.092 -28.183 -3.683 523 HA ALA 71 HA ALA 71 -2.174 -30.424 -5.353 524 HB1 ALA 71 1HB ALA 71 -4.683 -30.313 -3.692 525 HB2 ALA 71 2HB ALA 71 -3.955 -31.728 -4.453 526 HB3 ALA 71 3HB ALA 71 -3.142 -30.937 -3.102 527 H GLY 72 H GLY 72 -4.871 -28.146 -4.931 528 HA2 GLY 72 1HA GLY 72 -5.224 -27.437 -7.545 529 HA3 GLY 72 2HA GLY 72 -6.137 -28.930 -7.388 530 HA PRO 73 HA PRO 73 -8.896 -25.366 -6.259 531 HB2 PRO 73 1HB PRO 73 -10.971 -26.163 -7.819 532 HB3 PRO 73 2HB PRO 73 -9.653 -25.149 -8.418 533 HG2 PRO 73 1HG PRO 73 -10.056 -28.101 -8.712 534 HG3 PRO 73 2HG PRO 73 -9.517 -26.919 -9.920 535 HD2 PRO 73 1HD PRO 73 -7.797 -28.543 -8.603 536 HD3 PRO 73 2HD PRO 73 -7.353 -26.906 -9.126 537 H ASP 74 H ASP 74 -11.330 -25.623 -5.612 538 HA ASP 74 HA ASP 74 -11.967 -28.234 -4.511 539 HB2 ASP 74 1HB ASP 74 -10.502 -26.903 -2.845 540 HB3 ASP 74 2HB ASP 74 -11.931 -25.898 -2.616 541 H GLY 75 H GLY 75 -14.122 -28.582 -4.389 542 HA2 GLY 75 1HA GLY 75 -15.905 -26.872 -5.707 543 HA3 GLY 75 2HA GLY 75 -16.369 -28.222 -4.683 544 H VAL 76 H VAL 76 -16.399 -24.880 -5.041 545 HA VAL 76 HA VAL 76 -17.924 -24.478 -2.691 546 HB VAL 76 HB VAL 76 -15.685 -24.633 -1.637 547 HG11 VAL 76 1HG1 VAL 76 -14.781 -22.019 -2.549 548 HG12 VAL 76 2HG1 VAL 76 -13.887 -23.530 -2.374 549 HG13 VAL 76 3HG1 VAL 76 -14.824 -23.223 -3.836 550 HG21 VAL 76 1HG2 VAL 76 -16.663 -23.328 -0.128 551 HG22 VAL 76 2HG2 VAL 76 -15.991 -21.926 -0.960 552 HG23 VAL 76 3HG2 VAL 76 -17.601 -22.511 -1.378 553 H GLU 77 H GLU 77 -19.236 -22.810 -3.062 554 HA GLU 77 HA GLU 77 -18.363 -20.752 -4.982 555 HB2 GLU 77 1HB GLU 77 -20.713 -20.572 -5.715 556 HB3 GLU 77 2HB GLU 77 -20.039 -22.167 -6.019 557 HG2 GLU 77 1HG GLU 77 -22.152 -22.623 -5.198 558 HG3 GLU 77 2HG GLU 77 -21.116 -22.828 -3.787 559 H GLY 78 H GLY 78 -19.335 -18.636 -4.708 560 HA2 GLY 78 1HA GLY 78 -19.729 -18.039 -1.867 561 HA3 GLY 78 2HA GLY 78 -19.311 -16.878 -3.118 562 H GLU 79 H GLU 79 -21.227 -16.129 -1.425 563 HA GLU 79 HA GLU 79 -23.439 -15.637 -3.110 564 HB2 GLU 79 1HB GLU 79 -23.698 -18.102 -2.135 565 HB3 GLU 79 2HB GLU 79 -24.341 -17.222 -0.755 566 HG2 GLU 79 1HG GLU 79 -26.059 -17.990 -2.369 567 HG3 GLU 79 2HG GLU 79 -26.065 -16.251 -2.080 568 H ASN 80 H ASN 80 -25.268 -14.552 -1.831 569 HA ASN 80 HA ASN 80 -25.919 -12.818 -0.511 570 HB2 ASN 80 1HB ASN 80 -24.052 -14.229 1.401 571 HB3 ASN 80 2HB ASN 80 -25.050 -12.854 1.866 572 HD21 ASN 80 1HD2 ASN 80 -27.412 -13.110 1.335 573 HD22 ASN 80 2HD2 ASN 80 -28.113 -14.658 1.647 574 H SER 81 H SER 81 -24.207 -11.988 -2.355 575 HA SER 81 HA SER 81 -22.448 -10.118 -0.910 576 HB2 SER 81 1HB SER 81 -21.382 -12.042 -2.368 577 HB3 SER 81 2HB SER 81 -21.786 -10.963 -3.704 578 HG SER 81 HG SER 81 -19.687 -10.828 -2.161 579 H GLY 82 H GLY 82 -23.865 -8.404 -0.930 580 HA2 GLY 82 1HA GLY 82 -24.285 -7.180 -3.563 581 HA3 GLY 82 2HA GLY 82 -25.682 -7.421 -2.524 582 HA PRO 83 HA PRO 83 -23.531 -3.295 -1.683 583 HB2 PRO 83 1HB PRO 83 -25.527 -1.687 -2.578 584 HB3 PRO 83 2HB PRO 83 -24.219 -2.264 -3.617 585 HG2 PRO 83 1HG PRO 83 -27.011 -3.303 -3.334 586 HG3 PRO 83 2HG PRO 83 -26.057 -3.047 -4.806 587 HD2 PRO 83 1HD PRO 83 -26.363 -5.488 -3.675 588 HD3 PRO 83 2HD PRO 83 -24.887 -5.016 -4.541 589 H SER 84 H SER 84 -23.791 -3.660 0.517 590 HA SER 84 HA SER 84 -26.455 -3.405 1.678 591 HB2 SER 84 1HB SER 84 -23.774 -4.145 2.863 592 HB3 SER 84 2HB SER 84 -25.237 -3.947 3.828 593 HG SER 84 HG SER 84 -25.506 -5.581 1.623 594 H SER 85 H SER 85 -26.866 -1.939 3.440 595 HA SER 85 HA SER 85 -26.079 0.700 2.895 596 HB2 SER 85 1HB SER 85 -27.309 -0.419 5.426 597 HB3 SER 85 2HB SER 85 -27.257 1.286 4.976 598 HG SER 85 HG SER 85 -28.479 0.683 3.086 599 H GLY 86 H GLY 86 -24.169 1.607 3.247 600 HA2 GLY 86 1HA GLY 86 -22.780 1.019 5.773 601 HA3 GLY 86 2HA GLY 86 -21.904 0.877 4.256 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -8.535 -16.738 19.108 2 HA2 GLY 1 1HA GLY 1 -7.490 -16.564 16.694 3 HA3 GLY 1 2HA GLY 1 -8.695 -17.800 17.023 4 H SER 2 H SER 2 -7.881 -15.688 14.776 5 HA SER 2 HA SER 2 -10.536 -14.604 14.244 6 HB2 SER 2 1HB SER 2 -8.777 -13.033 13.883 7 HB3 SER 2 2HB SER 2 -7.847 -14.190 12.932 8 HG SER 2 HG SER 2 -8.810 -13.254 11.312 9 H SER 3 H SER 3 -11.845 -15.239 12.600 10 HA SER 3 HA SER 3 -11.057 -17.690 11.190 11 HB2 SER 3 1HB SER 3 -13.444 -18.083 10.858 12 HB3 SER 3 2HB SER 3 -13.115 -17.792 12.566 13 HG SER 3 HG SER 3 -14.059 -15.848 10.723 14 H GLY 4 H GLY 4 -10.707 -17.682 9.063 15 HA2 GLY 4 1HA GLY 4 -10.612 -15.301 7.572 16 HA3 GLY 4 2HA GLY 4 -10.509 -16.924 6.906 17 H SER 5 H SER 5 -12.075 -14.213 6.434 18 HA SER 5 HA SER 5 -14.683 -15.499 5.958 19 HB2 SER 5 1HB SER 5 -14.532 -13.463 7.527 20 HB3 SER 5 2HB SER 5 -14.243 -12.519 6.066 21 HG SER 5 HG SER 5 -16.437 -14.273 6.201 22 H SER 6 H SER 6 -15.136 -15.930 3.913 23 HA SER 6 HA SER 6 -13.528 -14.826 1.784 24 HB2 SER 6 1HB SER 6 -15.861 -16.754 1.694 25 HB3 SER 6 2HB SER 6 -14.821 -16.349 0.330 26 HG SER 6 HG SER 6 -14.433 -18.232 2.100 27 H GLY 7 H GLY 7 -14.970 -12.824 3.063 28 HA2 GLY 7 1HA GLY 7 -16.096 -10.923 2.378 29 HA3 GLY 7 2HA GLY 7 -16.368 -11.692 0.821 30 H ARG 8 H ARG 8 -18.257 -10.133 2.310 31 HA ARG 8 HA ARG 8 -20.181 -12.107 3.285 32 HB2 ARG 8 1HB ARG 8 -19.610 -9.877 4.473 33 HB3 ARG 8 2HB ARG 8 -20.624 -9.136 3.242 34 HG2 ARG 8 1HG ARG 8 -21.996 -9.475 5.128 35 HG3 ARG 8 2HG ARG 8 -22.451 -10.714 3.956 36 HD2 ARG 8 1HD ARG 8 -20.667 -12.143 5.236 37 HD3 ARG 8 2HD ARG 8 -20.967 -10.983 6.530 38 HE ARG 8 HE ARG 8 -23.453 -11.744 5.868 39 HH11 ARG 8 2HH1 ARG 8 -20.562 -13.560 6.550 40 HH12 ARG 8 1HH1 ARG 8 -21.414 -14.926 7.191 41 HH21 ARG 8 2HH2 ARG 8 -24.587 -13.536 6.709 42 HH22 ARG 8 1HH2 ARG 8 -23.704 -14.911 7.280 43 H THR 9 H THR 9 -21.723 -12.869 2.009 44 HA THR 9 HA THR 9 -22.044 -12.223 -0.667 45 HB THR 9 HB THR 9 -24.228 -13.407 -0.543 46 HG1 THR 9 1HG THR 9 -24.755 -12.677 1.616 47 HG21 THR 9 1HG2 THR 9 -21.711 -14.536 0.582 48 HG22 THR 9 2HG2 THR 9 -22.563 -14.941 -0.908 49 HG23 THR 9 3HG2 THR 9 -23.171 -15.523 0.641 50 H HIS 10 H HIS 10 -23.159 -10.545 2.092 51 HA HIS 10 HA HIS 10 -24.639 -8.698 0.365 52 HB2 HIS 10 1HB HIS 10 -26.373 -8.456 2.159 53 HB3 HIS 10 2HB HIS 10 -26.380 -10.024 1.357 54 HD1 HIS 10 1HD HIS 10 -26.290 -12.013 2.844 55 HD2 HIS 10 2HD HIS 10 -25.033 -8.557 4.777 56 HE1 HIS 10 1HE HIS 10 -25.939 -12.676 5.244 57 H THR 11 H THR 11 -24.158 -6.621 0.728 58 HA THR 11 HA THR 11 -22.383 -6.006 2.974 59 HB THR 11 HB THR 11 -21.808 -3.966 1.783 60 HG1 THR 11 1HG THR 11 -23.811 -4.823 -0.052 61 HG21 THR 11 1HG2 THR 11 -20.434 -4.968 0.273 62 HG22 THR 11 2HG2 THR 11 -21.737 -5.913 -0.448 63 HG23 THR 11 3HG2 THR 11 -21.014 -6.425 1.077 64 H GLY 12 H GLY 12 -22.811 -4.419 4.475 65 HA2 GLY 12 1HA GLY 12 -25.584 -3.848 4.950 66 HA3 GLY 12 2HA GLY 12 -24.227 -3.320 5.934 67 H GLU 13 H GLU 13 -22.793 -1.640 4.687 68 HA GLU 13 HA GLU 13 -24.062 0.082 2.829 69 HB2 GLU 13 1HB GLU 13 -25.485 0.727 4.651 70 HB3 GLU 13 2HB GLU 13 -24.110 0.909 5.732 71 HG2 GLU 13 1HG GLU 13 -23.333 2.824 4.505 72 HG3 GLU 13 2HG GLU 13 -24.593 2.601 3.292 73 H LYS 14 H LYS 14 -22.604 1.432 1.912 74 HA LYS 14 HA LYS 14 -19.914 1.466 3.102 75 HB2 LYS 14 1HB LYS 14 -20.804 1.787 0.232 76 HB3 LYS 14 2HB LYS 14 -19.144 1.991 0.778 77 HG2 LYS 14 1HG LYS 14 -18.891 -0.270 1.256 78 HG3 LYS 14 2HG LYS 14 -20.633 -0.552 1.305 79 HD2 LYS 14 1HD LYS 14 -20.828 -0.538 -1.008 80 HD3 LYS 14 2HD LYS 14 -19.322 0.356 -1.229 81 HE2 LYS 14 1HE LYS 14 -18.259 -1.783 -0.148 82 HE3 LYS 14 2HE LYS 14 -19.752 -2.548 -0.691 83 HZ1 LYS 14 1HZ LYS 14 -17.533 -1.482 -2.256 84 HZ2 LYS 14 2HZ LYS 14 -19.083 -1.289 -2.903 85 HZ3 LYS 14 3HZ LYS 14 -18.506 -2.837 -2.541 86 HA PRO 15 HA PRO 15 -21.150 5.795 3.733 87 HB2 PRO 15 1HB PRO 15 -19.340 6.237 5.707 88 HB3 PRO 15 2HB PRO 15 -20.903 5.464 5.993 89 HG2 PRO 15 1HG PRO 15 -18.206 4.212 5.648 90 HG3 PRO 15 2HG PRO 15 -19.480 3.819 6.816 91 HD2 PRO 15 1HD PRO 15 -19.066 2.367 4.569 92 HD3 PRO 15 2HD PRO 15 -20.676 2.580 5.284 93 H TYR 16 H TYR 16 -18.077 4.323 3.026 94 HA TYR 16 HA TYR 16 -16.832 6.877 2.390 95 HB2 TYR 16 1HB TYR 16 -15.703 4.090 2.077 96 HB3 TYR 16 2HB TYR 16 -14.807 5.603 2.014 97 HD1 TYR 16 2HD TYR 16 -16.749 3.384 4.258 98 HD2 TYR 16 1HD TYR 16 -13.994 6.615 3.986 99 HE1 TYR 16 2HE TYR 16 -16.350 3.239 6.680 100 HE2 TYR 16 1HE TYR 16 -13.587 6.479 6.408 101 HH TYR 16 HH TYR 16 -15.117 5.528 8.481 102 H ALA 17 H ALA 17 -17.725 7.694 0.564 103 HA ALA 17 HA ALA 17 -17.787 5.965 -1.819 104 HB1 ALA 17 1HB ALA 17 -19.764 6.837 -2.344 105 HB2 ALA 17 2HB ALA 17 -19.772 7.589 -0.748 106 HB3 ALA 17 3HB ALA 17 -19.165 8.484 -2.141 107 H CYS 18 H CYS 18 -16.360 6.339 -3.379 108 HA CYS 18 HA CYS 18 -14.299 8.179 -3.217 109 HB2 CYS 18 1HB CYS 18 -14.449 6.120 -4.701 110 HB3 CYS 18 2HB CYS 18 -15.383 7.107 -5.821 111 H SER 19 H SER 19 -13.832 10.110 -4.346 112 HA SER 19 HA SER 19 -16.224 11.710 -4.907 113 HB2 SER 19 1HB SER 19 -14.447 13.612 -4.830 114 HB3 SER 19 2HB SER 19 -14.939 12.846 -3.319 115 HG SER 19 HG SER 19 -12.783 11.734 -4.695 116 H HIS 20 H HIS 20 -13.796 10.043 -6.510 117 HA HIS 20 HA HIS 20 -13.825 11.813 -8.842 118 HB2 HIS 20 1HB HIS 20 -12.144 9.418 -8.107 119 HB3 HIS 20 2HB HIS 20 -12.108 10.139 -9.713 120 HD1 HIS 20 1HD HIS 20 -12.301 12.196 -6.569 121 HD2 HIS 20 2HD HIS 20 -9.543 11.152 -9.496 122 HE1 HIS 20 1HE HIS 20 -10.308 13.680 -6.176 123 H CYS 21 H CYS 21 -14.958 8.711 -7.728 124 HA CYS 21 HA CYS 21 -16.415 8.391 -10.262 125 HB2 CYS 21 1HB CYS 21 -16.076 5.952 -10.133 126 HB3 CYS 21 2HB CYS 21 -14.552 6.817 -10.298 127 H ASP 22 H ASP 22 -18.148 6.572 -9.931 128 HA ASP 22 HA ASP 22 -19.702 7.382 -7.602 129 HB2 ASP 22 1HB ASP 22 -20.576 7.249 -10.039 130 HB3 ASP 22 2HB ASP 22 -20.665 5.513 -9.751 131 H LYS 23 H LYS 23 -17.403 5.636 -7.262 132 HA LYS 23 HA LYS 23 -18.563 3.035 -6.643 133 HB2 LYS 23 1HB LYS 23 -15.736 4.086 -6.468 134 HB3 LYS 23 2HB LYS 23 -16.206 2.459 -5.993 135 HG2 LYS 23 1HG LYS 23 -17.003 3.296 -8.705 136 HG3 LYS 23 2HG LYS 23 -15.273 3.088 -8.425 137 HD2 LYS 23 1HD LYS 23 -15.782 0.946 -8.990 138 HD3 LYS 23 2HD LYS 23 -16.142 0.851 -7.264 139 HE2 LYS 23 1HE LYS 23 -17.997 -0.122 -8.316 140 HE3 LYS 23 2HE LYS 23 -18.523 1.508 -7.900 141 HZ1 LYS 23 1HZ LYS 23 -18.586 2.143 -10.062 142 HZ2 LYS 23 2HZ LYS 23 -18.900 0.496 -10.286 143 HZ3 LYS 23 3HZ LYS 23 -17.341 1.101 -10.541 144 H THR 24 H THR 24 -18.178 2.057 -4.515 145 HA THR 24 HA THR 24 -17.895 3.973 -2.319 146 HB THR 24 HB THR 24 -19.849 2.916 -1.149 147 HG1 THR 24 1HG THR 24 -19.761 1.221 -3.105 148 HG21 THR 24 1HG2 THR 24 -20.463 4.988 -1.883 149 HG22 THR 24 2HG2 THR 24 -21.548 4.018 -2.879 150 HG23 THR 24 3HG2 THR 24 -20.044 4.638 -3.559 151 H PHE 25 H PHE 25 -17.375 3.008 -0.285 152 HA PHE 25 HA PHE 25 -16.740 0.165 -0.274 153 HB2 PHE 25 1HB PHE 25 -14.607 2.129 0.536 154 HB3 PHE 25 2HB PHE 25 -14.446 0.405 0.215 155 HD1 PHE 25 1HD PHE 25 -15.511 3.517 -1.548 156 HD2 PHE 25 2HD PHE 25 -13.476 -0.215 -1.766 157 HE1 PHE 25 1HE PHE 25 -14.848 4.017 -3.865 158 HE2 PHE 25 2HE PHE 25 -12.810 0.279 -4.082 159 HZ PHE 25 HZ PHE 25 -13.495 2.398 -5.134 160 H ARG 26 H ARG 26 -16.727 -0.751 1.754 161 HA ARG 26 HA ARG 26 -18.148 0.613 3.788 162 HB2 ARG 26 1HB ARG 26 -17.692 -1.408 5.151 163 HB3 ARG 26 2HB ARG 26 -18.344 -1.785 3.561 164 HG2 ARG 26 1HG ARG 26 -15.832 -2.032 2.903 165 HG3 ARG 26 2HG ARG 26 -15.604 -2.235 4.641 166 HD2 ARG 26 1HD ARG 26 -17.357 -4.020 4.574 167 HD3 ARG 26 2HD ARG 26 -17.344 -3.885 2.817 168 HE ARG 26 HE ARG 26 -14.753 -4.365 3.973 169 HH11 ARG 26 2HH1 ARG 26 -17.675 -5.823 2.767 170 HH12 ARG 26 1HH1 ARG 26 -16.923 -7.341 2.404 171 HH21 ARG 26 2HH2 ARG 26 -13.751 -6.358 3.498 172 HH22 ARG 26 1HH2 ARG 26 -14.691 -7.644 2.820 173 H GLN 27 H GLN 27 -14.744 -0.347 3.475 174 HA GLN 27 HA GLN 27 -14.120 1.380 5.775 175 HB2 GLN 27 1HB GLN 27 -12.774 -1.072 4.674 176 HB3 GLN 27 2HB GLN 27 -11.906 0.051 5.712 177 HG2 GLN 27 1HG GLN 27 -13.796 -0.268 7.377 178 HG3 GLN 27 2HG GLN 27 -14.297 -1.631 6.378 179 HE21 GLN 27 1HE2 GLN 27 -11.816 -0.365 8.471 180 HE22 GLN 27 2HE2 GLN 27 -11.023 -1.870 8.772 181 H LYS 28 H LYS 28 -12.529 2.929 5.616 182 HA LYS 28 HA LYS 28 -12.168 4.219 3.180 183 HB2 LYS 28 1HB LYS 28 -10.552 5.608 4.300 184 HB3 LYS 28 2HB LYS 28 -11.854 5.249 5.427 185 HG2 LYS 28 1HG LYS 28 -10.086 4.886 6.795 186 HG3 LYS 28 2HG LYS 28 -10.224 3.270 6.098 187 HD2 LYS 28 1HD LYS 28 -8.533 3.924 4.396 188 HD3 LYS 28 2HD LYS 28 -8.336 5.462 5.240 189 HE2 LYS 28 1HE LYS 28 -7.902 3.948 7.315 190 HE3 LYS 28 2HE LYS 28 -7.573 2.704 6.110 191 HZ1 LYS 28 1HZ LYS 28 -5.872 4.728 7.002 192 HZ2 LYS 28 2HZ LYS 28 -6.219 5.048 5.377 193 HZ3 LYS 28 3HZ LYS 28 -5.565 3.553 5.824 194 H GLN 29 H GLN 29 -10.117 1.859 4.819 195 HA GLN 29 HA GLN 29 -7.797 1.979 3.398 196 HB2 GLN 29 1HB GLN 29 -7.847 0.389 5.107 197 HB3 GLN 29 2HB GLN 29 -9.327 -0.349 4.509 198 HG2 GLN 29 1HG GLN 29 -7.002 -0.488 2.707 199 HG3 GLN 29 2HG GLN 29 -6.884 -1.418 4.200 200 HE21 GLN 29 1HE2 GLN 29 -8.706 -2.871 4.675 201 HE22 GLN 29 2HE2 GLN 29 -9.481 -3.671 3.355 202 H LEU 30 H LEU 30 -10.679 0.112 2.449 203 HA LEU 30 HA LEU 30 -9.688 -0.828 0.009 204 HB2 LEU 30 1HB LEU 30 -12.560 -0.158 0.615 205 HB3 LEU 30 2HB LEU 30 -11.963 -1.314 -0.574 206 HG LEU 30 HG LEU 30 -11.483 -1.672 2.372 207 HD11 LEU 30 1HD1 LEU 30 -13.618 -3.259 1.152 208 HD12 LEU 30 2HD1 LEU 30 -13.995 -1.546 1.332 209 HD13 LEU 30 3HD1 LEU 30 -13.530 -2.500 2.741 210 HD21 LEU 30 1HD2 LEU 30 -10.384 -3.480 1.713 211 HD22 LEU 30 2HD2 LEU 30 -10.662 -3.030 0.031 212 HD23 LEU 30 3HD2 LEU 30 -11.817 -4.067 0.869 213 H LEU 31 H LEU 31 -11.768 1.995 0.649 214 HA LEU 31 HA LEU 31 -11.866 2.930 -1.990 215 HB2 LEU 31 1HB LEU 31 -13.451 3.876 -0.613 216 HB3 LEU 31 2HB LEU 31 -12.300 4.155 0.693 217 HG LEU 31 HG LEU 31 -11.308 5.994 -0.676 218 HD11 LEU 31 1HD1 LEU 31 -11.861 6.220 -2.807 219 HD12 LEU 31 2HD1 LEU 31 -13.531 6.540 -2.341 220 HD13 LEU 31 3HD1 LEU 31 -13.008 4.887 -2.666 221 HD21 LEU 31 1HD2 LEU 31 -14.235 6.484 -0.242 222 HD22 LEU 31 2HD2 LEU 31 -12.875 7.578 0.017 223 HD23 LEU 31 3HD2 LEU 31 -13.136 6.219 1.112 224 H ASP 32 H ASP 32 -9.352 3.025 0.338 225 HA ASP 32 HA ASP 32 -7.961 5.283 -0.771 226 HB2 ASP 32 1HB ASP 32 -7.766 4.520 1.622 227 HB3 ASP 32 2HB ASP 32 -6.847 3.135 1.039 228 H MET 33 H MET 33 -7.402 1.763 -0.769 229 HA MET 33 HA MET 33 -5.204 1.880 -2.559 230 HB2 MET 33 1HB MET 33 -5.526 -0.572 -2.752 231 HB3 MET 33 2HB MET 33 -5.469 -0.017 -1.084 232 HG2 MET 33 1HG MET 33 -7.768 -0.325 -0.783 233 HG3 MET 33 2HG MET 33 -8.067 -0.430 -2.516 234 HE1 MET 33 1HE MET 33 -9.428 -3.000 -2.407 235 HE2 MET 33 2HE MET 33 -8.447 -2.267 -3.676 236 HE3 MET 33 3HE MET 33 -8.201 -3.958 -3.236 237 H HIS 34 H HIS 34 -8.647 1.762 -2.985 238 HA HIS 34 HA HIS 34 -8.765 0.794 -5.619 239 HB2 HIS 34 1HB HIS 34 -10.862 0.838 -4.703 240 HB3 HIS 34 2HB HIS 34 -10.570 2.345 -3.840 241 HD1 HIS 34 1HD HIS 34 -11.894 0.986 -7.026 242 HD2 HIS 34 2HD HIS 34 -11.047 4.695 -5.357 243 HE1 HIS 34 1HE HIS 34 -13.028 2.668 -8.513 244 H PHE 35 H PHE 35 -8.583 4.118 -4.375 245 HA PHE 35 HA PHE 35 -8.669 5.433 -6.842 246 HB2 PHE 35 1HB PHE 35 -8.927 6.545 -4.635 247 HB3 PHE 35 2HB PHE 35 -7.205 6.317 -4.347 248 HD1 PHE 35 2HD PHE 35 -5.628 7.296 -6.196 249 HD2 PHE 35 1HD PHE 35 -9.654 8.521 -5.556 250 HE1 PHE 35 2HE PHE 35 -5.156 9.426 -7.332 251 HE2 PHE 35 1HE PHE 35 -9.188 10.654 -6.692 252 HZ PHE 35 HZ PHE 35 -6.937 11.109 -7.580 253 H LYS 36 H LYS 36 -5.815 4.626 -4.861 254 HA LYS 36 HA LYS 36 -3.926 5.407 -6.808 255 HB2 LYS 36 1HB LYS 36 -3.783 3.672 -4.356 256 HB3 LYS 36 2HB LYS 36 -2.387 3.872 -5.407 257 HG2 LYS 36 1HG LYS 36 -2.929 6.429 -5.072 258 HG3 LYS 36 2HG LYS 36 -3.705 5.830 -3.604 259 HD2 LYS 36 1HD LYS 36 -1.559 6.249 -2.862 260 HD3 LYS 36 2HD LYS 36 -1.462 4.537 -3.281 261 HE2 LYS 36 1HE LYS 36 0.437 5.364 -4.288 262 HE3 LYS 36 2HE LYS 36 -0.723 5.441 -5.613 263 HZ1 LYS 36 1HZ LYS 36 -0.022 7.548 -5.762 264 HZ2 LYS 36 2HZ LYS 36 0.593 7.583 -4.187 265 HZ3 LYS 36 3HZ LYS 36 -1.058 7.834 -4.456 266 H ARG 37 H ARG 37 -6.049 2.844 -6.806 267 HA ARG 37 HA ARG 37 -4.286 1.031 -8.266 268 HB2 ARG 37 1HB ARG 37 -5.739 0.047 -6.574 269 HB3 ARG 37 2HB ARG 37 -7.155 0.722 -7.368 270 HG2 ARG 37 1HG ARG 37 -7.007 -0.756 -9.162 271 HG3 ARG 37 2HG ARG 37 -5.327 -1.163 -8.805 272 HD2 ARG 37 1HD ARG 37 -6.521 -3.029 -8.077 273 HD3 ARG 37 2HD ARG 37 -6.232 -2.110 -6.601 274 HE ARG 37 HE ARG 37 -8.663 -1.239 -7.472 275 HH11 ARG 37 2HH1 ARG 37 -7.296 -4.353 -6.727 276 HH12 ARG 37 1HH1 ARG 37 -8.805 -5.040 -6.225 277 HH21 ARG 37 2HH2 ARG 37 -10.655 -2.132 -6.814 278 HH22 ARG 37 1HH2 ARG 37 -10.715 -3.777 -6.276 279 H TYR 38 H TYR 38 -7.577 2.326 -8.759 280 HA TYR 38 HA TYR 38 -7.444 1.851 -11.587 281 HB2 TYR 38 1HB TYR 38 -9.473 3.128 -9.769 282 HB3 TYR 38 2HB TYR 38 -9.653 3.186 -11.519 283 HD1 TYR 38 1HD TYR 38 -8.794 0.601 -8.948 284 HD2 TYR 38 2HD TYR 38 -11.075 1.607 -12.396 285 HE1 TYR 38 1HE TYR 38 -9.827 -1.631 -8.909 286 HE2 TYR 38 2HE TYR 38 -12.115 -0.621 -12.366 287 HH TYR 38 HH TYR 38 -12.406 -2.485 -10.076 288 H HIS 39 H HIS 39 -8.081 4.864 -9.786 289 HA HIS 39 HA HIS 39 -7.563 6.605 -11.893 290 HB2 HIS 39 1HB HIS 39 -7.209 7.079 -8.926 291 HB3 HIS 39 2HB HIS 39 -7.268 8.343 -10.150 292 HD1 HIS 39 1HD HIS 39 -9.657 7.844 -11.748 293 HD2 HIS 39 2HD HIS 39 -9.594 6.994 -7.682 294 HE1 HIS 39 1HE HIS 39 -12.067 7.817 -11.029 295 H ASP 40 H ASP 40 -5.401 4.655 -10.194 296 HA ASP 40 HA ASP 40 -3.141 6.026 -11.445 297 HB2 ASP 40 1HB ASP 40 -3.338 6.772 -9.042 298 HB3 ASP 40 2HB ASP 40 -3.035 5.102 -8.570 299 HA PRO 41 HA PRO 41 -2.568 1.730 -12.550 300 HB2 PRO 41 1HB PRO 41 -0.511 2.187 -14.262 301 HB3 PRO 41 2HB PRO 41 -2.200 2.479 -14.691 302 HG2 PRO 41 1HG PRO 41 -0.110 4.425 -13.792 303 HG3 PRO 41 2HG PRO 41 -1.310 4.591 -15.087 304 HD2 PRO 41 1HD PRO 41 -1.634 5.720 -12.648 305 HD3 PRO 41 2HD PRO 41 -3.002 5.141 -13.621 306 H ASN 42 H ASN 42 -0.766 3.667 -10.586 307 HA ASN 42 HA ASN 42 1.718 2.280 -10.520 308 HB2 ASN 42 1HB ASN 42 0.378 4.372 -8.908 309 HB3 ASN 42 2HB ASN 42 1.593 3.413 -8.068 310 HD21 ASN 42 1HD2 ASN 42 1.000 5.600 -10.720 311 HD22 ASN 42 2HD2 ASN 42 2.646 6.065 -10.961 312 H PHE 43 H PHE 43 -1.009 2.309 -8.216 313 HA PHE 43 HA PHE 43 -0.032 0.102 -6.723 314 HB2 PHE 43 1HB PHE 43 -1.627 1.858 -5.878 315 HB3 PHE 43 2HB PHE 43 -2.884 1.093 -6.844 316 HD1 PHE 43 1HD PHE 43 -3.011 -1.562 -6.446 317 HD2 PHE 43 2HD PHE 43 -1.553 1.308 -3.661 318 HE1 PHE 43 1HE PHE 43 -3.483 -3.119 -4.600 319 HE2 PHE 43 2HE PHE 43 -2.022 -0.245 -1.810 320 HZ PHE 43 HZ PHE 43 -2.988 -2.461 -2.278 321 H VAL 44 H VAL 44 -0.212 -2.015 -7.069 322 HA VAL 44 HA VAL 44 -2.320 -3.017 -8.839 323 HB VAL 44 HB VAL 44 -0.543 -2.883 -10.384 324 HG11 VAL 44 1HG1 VAL 44 1.167 -3.853 -8.122 325 HG12 VAL 44 2HG1 VAL 44 1.700 -3.997 -9.798 326 HG13 VAL 44 3HG1 VAL 44 1.353 -2.408 -9.115 327 HG21 VAL 44 1HG2 VAL 44 -1.668 -5.004 -10.500 328 HG22 VAL 44 2HG2 VAL 44 0.050 -5.259 -10.808 329 HG23 VAL 44 3HG2 VAL 44 -0.634 -5.669 -9.235 330 HA PRO 45 HA PRO 45 -2.522 -5.824 -5.375 331 HB2 PRO 45 1HB PRO 45 -4.666 -7.216 -6.288 332 HB3 PRO 45 2HB PRO 45 -4.805 -5.622 -5.539 333 HG2 PRO 45 1HG PRO 45 -4.793 -6.356 -8.441 334 HG3 PRO 45 2HG PRO 45 -5.828 -5.199 -7.584 335 HD2 PRO 45 1HD PRO 45 -3.684 -4.430 -9.049 336 HD3 PRO 45 2HD PRO 45 -4.214 -3.553 -7.600 337 H ALA 46 H ALA 46 -1.157 -7.476 -5.182 338 HA ALA 46 HA ALA 46 -0.337 -9.058 -7.425 339 HB1 ALA 46 1HB ALA 46 0.493 -8.694 -4.650 340 HB2 ALA 46 2HB ALA 46 0.650 -10.355 -5.225 341 HB3 ALA 46 3HB ALA 46 1.454 -9.043 -6.087 342 H ALA 47 H ALA 47 -1.671 -10.538 -8.248 343 HA ALA 47 HA ALA 47 -3.094 -12.318 -6.376 344 HB1 ALA 47 1HB ALA 47 -3.977 -11.262 -9.053 345 HB2 ALA 47 2HB ALA 47 -4.764 -12.614 -8.237 346 HB3 ALA 47 3HB ALA 47 -4.742 -11.020 -7.482 347 H PHE 48 H PHE 48 -1.909 -14.131 -6.311 348 HA PHE 48 HA PHE 48 -1.186 -15.377 -8.880 349 HB2 PHE 48 1HB PHE 48 0.380 -15.519 -6.295 350 HB3 PHE 48 2HB PHE 48 0.800 -16.333 -7.798 351 HD1 PHE 48 2HD PHE 48 0.436 -13.028 -6.193 352 HD2 PHE 48 1HD PHE 48 1.968 -15.213 -9.508 353 HE1 PHE 48 2HE PHE 48 1.720 -11.052 -6.898 354 HE2 PHE 48 1HE PHE 48 3.256 -13.240 -10.218 355 HZ PHE 48 HZ PHE 48 3.132 -11.156 -8.913 356 H VAL 49 H VAL 49 -2.753 -16.874 -9.103 357 HA VAL 49 HA VAL 49 -3.524 -18.512 -6.808 358 HB VAL 49 HB VAL 49 -4.694 -18.148 -9.555 359 HG11 VAL 49 1HG1 VAL 49 -5.460 -20.233 -7.514 360 HG12 VAL 49 2HG1 VAL 49 -6.376 -19.845 -8.971 361 HG13 VAL 49 3HG1 VAL 49 -4.757 -20.532 -9.103 362 HG21 VAL 49 1HG2 VAL 49 -5.276 -16.507 -7.833 363 HG22 VAL 49 2HG2 VAL 49 -6.676 -17.473 -8.302 364 HG23 VAL 49 3HG2 VAL 49 -5.842 -17.808 -6.785 365 H CYS 50 H CYS 50 -2.978 -20.599 -6.566 366 HA CYS 50 HA CYS 50 -0.817 -21.736 -7.845 367 HB2 CYS 50 1HB CYS 50 -2.122 -22.440 -5.684 368 HB3 CYS 50 2HB CYS 50 -3.003 -23.494 -6.786 369 H SER 51 H SER 51 -1.010 -24.010 -8.961 370 HA SER 51 HA SER 51 -3.009 -23.817 -11.116 371 HB2 SER 51 1HB SER 51 -0.817 -23.089 -11.955 372 HB3 SER 51 2HB SER 51 -0.098 -24.604 -11.411 373 HG SER 51 HG SER 51 -2.065 -25.380 -12.861 374 H LYS 52 H LYS 52 -1.565 -25.683 -8.702 375 HA LYS 52 HA LYS 52 -2.226 -28.245 -9.912 376 HB2 LYS 52 1HB LYS 52 -1.056 -27.539 -7.216 377 HB3 LYS 52 2HB LYS 52 -1.335 -29.182 -7.778 378 HG2 LYS 52 1HG LYS 52 0.131 -28.339 -9.816 379 HG3 LYS 52 2HG LYS 52 0.733 -27.221 -8.589 380 HD2 LYS 52 1HD LYS 52 1.520 -28.966 -7.230 381 HD3 LYS 52 2HD LYS 52 0.567 -30.179 -8.088 382 HE2 LYS 52 1HE LYS 52 2.595 -28.642 -9.625 383 HE3 LYS 52 2HE LYS 52 3.166 -29.881 -8.508 384 HZ1 LYS 52 1HZ LYS 52 1.210 -31.177 -9.796 385 HZ2 LYS 52 2HZ LYS 52 2.839 -31.229 -10.249 386 HZ3 LYS 52 3HZ LYS 52 1.778 -30.167 -11.029 387 H CYS 53 H CYS 53 -3.293 -26.190 -7.239 388 HA CYS 53 HA CYS 53 -5.683 -27.895 -6.979 389 HB2 CYS 53 1HB CYS 53 -5.859 -27.047 -4.656 390 HB3 CYS 53 2HB CYS 53 -4.365 -27.936 -4.940 391 H GLY 54 H GLY 54 -4.531 -24.537 -6.700 392 HA2 GLY 54 1HA GLY 54 -5.748 -22.888 -8.089 393 HA3 GLY 54 2HA GLY 54 -7.226 -23.669 -7.548 394 H LYS 55 H LYS 55 -4.652 -23.256 -5.282 395 HA LYS 55 HA LYS 55 -6.289 -21.706 -3.545 396 HB2 LYS 55 1HB LYS 55 -3.531 -22.809 -3.482 397 HB3 LYS 55 2HB LYS 55 -3.871 -21.455 -2.412 398 HG2 LYS 55 1HG LYS 55 -5.471 -22.652 -1.209 399 HG3 LYS 55 2HG LYS 55 -5.641 -23.872 -2.474 400 HD2 LYS 55 1HD LYS 55 -3.328 -24.616 -2.014 401 HD3 LYS 55 2HD LYS 55 -3.242 -23.450 -0.692 402 HE2 LYS 55 1HE LYS 55 -5.440 -25.480 -0.793 403 HE3 LYS 55 2HE LYS 55 -3.848 -25.917 -0.175 404 HZ1 LYS 55 1HZ LYS 55 -4.527 -25.100 1.758 405 HZ2 LYS 55 2HZ LYS 55 -5.920 -24.420 1.081 406 HZ3 LYS 55 3HZ LYS 55 -4.467 -23.555 1.070 407 H THR 56 H THR 56 -5.208 -19.687 -2.472 408 HA THR 56 HA THR 56 -4.476 -17.853 -4.658 409 HB THR 56 HB THR 56 -5.291 -16.059 -3.012 410 HG1 THR 56 1HG THR 56 -7.070 -17.213 -1.682 411 HG21 THR 56 1HG2 THR 56 -7.525 -17.862 -3.862 412 HG22 THR 56 2HG2 THR 56 -6.497 -17.099 -5.075 413 HG23 THR 56 3HG2 THR 56 -7.414 -16.104 -3.944 414 H PHE 57 H PHE 57 -2.778 -16.431 -4.407 415 HA PHE 57 HA PHE 57 -1.291 -16.402 -1.908 416 HB2 PHE 57 1HB PHE 57 -0.086 -17.356 -4.513 417 HB3 PHE 57 2HB PHE 57 0.849 -16.937 -3.081 418 HD1 PHE 57 1HD PHE 57 -1.439 -19.364 -4.579 419 HD2 PHE 57 2HD PHE 57 0.879 -18.377 -1.148 420 HE1 PHE 57 1HE PHE 57 -1.707 -21.662 -3.741 421 HE2 PHE 57 2HE PHE 57 0.615 -20.673 -0.305 422 HZ PHE 57 HZ PHE 57 -0.679 -22.320 -1.602 423 H THR 58 H THR 58 -0.882 -14.344 -1.496 424 HA THR 58 HA THR 58 -0.947 -12.367 -3.603 425 HB THR 58 HB THR 58 -1.999 -11.925 -1.402 426 HG1 THR 58 1HG THR 58 -0.414 -9.879 -1.168 427 HG21 THR 58 1HG2 THR 58 -0.497 -11.307 0.490 428 HG22 THR 58 2HG2 THR 58 0.858 -11.959 -0.430 429 HG23 THR 58 3HG2 THR 58 -0.453 -13.021 0.082 430 H ARG 59 H ARG 59 1.304 -14.392 -3.267 431 HA ARG 59 HA ARG 59 3.439 -12.525 -3.831 432 HB2 ARG 59 1HB ARG 59 4.979 -13.730 -2.196 433 HB3 ARG 59 2HB ARG 59 3.811 -12.612 -1.503 434 HG2 ARG 59 1HG ARG 59 2.993 -15.447 -1.728 435 HG3 ARG 59 2HG ARG 59 4.225 -15.048 -0.528 436 HD2 ARG 59 1HD ARG 59 1.477 -13.828 -0.766 437 HD3 ARG 59 2HD ARG 59 2.023 -14.953 0.477 438 HE ARG 59 HE ARG 59 2.593 -12.121 0.310 439 HH11 ARG 59 2HH1 ARG 59 3.439 -15.187 1.725 440 HH12 ARG 59 1HH1 ARG 59 4.232 -14.484 3.096 441 HH21 ARG 59 2HH2 ARG 59 3.634 -11.183 2.110 442 HH22 ARG 59 1HH2 ARG 59 4.341 -12.206 3.314 443 H ARG 60 H ARG 60 4.250 -13.276 -5.666 444 HA ARG 60 HA ARG 60 3.841 -15.802 -6.734 445 HB2 ARG 60 1HB ARG 60 4.503 -14.021 -8.178 446 HB3 ARG 60 2HB ARG 60 5.988 -13.755 -7.276 447 HG2 ARG 60 1HG ARG 60 7.071 -15.484 -8.272 448 HG3 ARG 60 2HG ARG 60 5.595 -16.426 -8.493 449 HD2 ARG 60 1HD ARG 60 6.294 -13.943 -10.053 450 HD3 ARG 60 2HD ARG 60 6.581 -15.589 -10.615 451 HE ARG 60 HE ARG 60 3.857 -15.152 -9.875 452 HH11 ARG 60 2HH1 ARG 60 6.193 -14.698 -12.416 453 HH12 ARG 60 1HH1 ARG 60 5.008 -14.668 -13.679 454 HH21 ARG 60 2HH2 ARG 60 2.286 -15.114 -11.529 455 HH22 ARG 60 1HH2 ARG 60 2.786 -14.904 -13.174 456 H ASN 61 H ASN 61 6.927 -14.579 -5.415 457 HA ASN 61 HA ASN 61 8.528 -16.703 -5.472 458 HB2 ASN 61 1HB ASN 61 9.531 -14.987 -4.334 459 HB3 ASN 61 2HB ASN 61 8.091 -14.633 -3.384 460 HD21 ASN 61 1HD2 ASN 61 8.963 -14.640 -1.390 461 HD22 ASN 61 2HD2 ASN 61 9.701 -16.019 -0.655 462 H THR 62 H THR 62 6.345 -16.236 -2.687 463 HA THR 62 HA THR 62 6.708 -18.727 -1.525 464 HB THR 62 HB THR 62 4.223 -17.005 -1.505 465 HG1 THR 62 1HG THR 62 5.243 -16.648 0.719 466 HG21 THR 62 1HG2 THR 62 3.991 -19.484 -0.842 467 HG22 THR 62 2HG2 THR 62 3.399 -18.265 0.286 468 HG23 THR 62 3HG2 THR 62 4.953 -19.049 0.570 469 H MET 63 H MET 63 3.933 -17.757 -3.555 470 HA MET 63 HA MET 63 2.633 -20.125 -3.806 471 HB2 MET 63 1HB MET 63 1.997 -17.927 -4.857 472 HB3 MET 63 2HB MET 63 3.136 -18.285 -6.148 473 HG2 MET 63 1HG MET 63 0.955 -20.210 -5.457 474 HG3 MET 63 2HG MET 63 0.642 -18.816 -6.488 475 HE1 MET 63 1HE MET 63 2.310 -19.461 -9.729 476 HE2 MET 63 2HE MET 63 0.625 -19.439 -9.208 477 HE3 MET 63 3HE MET 63 1.767 -18.265 -8.552 478 H ALA 64 H ALA 64 5.152 -19.050 -6.098 479 HA ALA 64 HA ALA 64 5.404 -21.221 -7.690 480 HB1 ALA 64 1HB ALA 64 7.077 -19.035 -6.953 481 HB2 ALA 64 2HB ALA 64 8.060 -20.496 -7.057 482 HB3 ALA 64 3HB ALA 64 7.088 -19.988 -8.438 483 H ARG 65 H ARG 65 6.958 -20.855 -4.510 484 HA ARG 65 HA ARG 65 8.225 -23.374 -4.507 485 HB2 ARG 65 1HB ARG 65 7.367 -21.597 -2.217 486 HB3 ARG 65 2HB ARG 65 8.377 -23.025 -2.034 487 HG2 ARG 65 1HG ARG 65 9.929 -21.885 -3.740 488 HG3 ARG 65 2HG ARG 65 9.023 -20.420 -3.355 489 HD2 ARG 65 1HD ARG 65 10.727 -20.273 -1.829 490 HD3 ARG 65 2HD ARG 65 9.521 -21.144 -0.883 491 HE ARG 65 HE ARG 65 11.386 -22.811 -2.333 492 HH11 ARG 65 2HH1 ARG 65 10.655 -21.176 0.652 493 HH12 ARG 65 1HH1 ARG 65 11.687 -22.186 1.609 494 HH21 ARG 65 2HH2 ARG 65 12.749 -24.147 -1.084 495 HH22 ARG 65 1HH2 ARG 65 12.878 -23.874 0.621 496 H HIS 66 H HIS 66 5.126 -22.286 -3.161 497 HA HIS 66 HA HIS 66 4.332 -24.576 -1.849 498 HB2 HIS 66 1HB HIS 66 2.892 -22.782 -1.548 499 HB3 HIS 66 2HB HIS 66 2.837 -22.403 -3.267 500 HD1 HIS 66 1HD HIS 66 1.690 -25.266 -1.027 501 HD2 HIS 66 2HD HIS 66 0.497 -23.136 -4.389 502 HE1 HIS 66 1HE HIS 66 -0.562 -26.197 -1.649 503 H ALA 67 H ALA 67 3.735 -23.747 -5.262 504 HA ALA 67 HA ALA 67 2.306 -25.920 -6.091 505 HB1 ALA 67 1HB ALA 67 3.082 -23.914 -7.449 506 HB2 ALA 67 2HB ALA 67 4.565 -24.824 -7.742 507 HB3 ALA 67 3HB ALA 67 3.014 -25.466 -8.285 508 H ASP 68 H ASP 68 5.842 -25.717 -5.802 509 HA ASP 68 HA ASP 68 6.510 -28.217 -6.792 510 HB2 ASP 68 1HB ASP 68 7.791 -26.506 -4.666 511 HB3 ASP 68 2HB ASP 68 8.500 -28.032 -5.189 512 H ASN 69 H ASN 69 5.816 -27.319 -3.416 513 HA ASN 69 HA ASN 69 5.826 -30.102 -2.607 514 HB2 ASN 69 1HB ASN 69 5.177 -29.085 -0.356 515 HB3 ASN 69 2HB ASN 69 6.756 -28.639 -0.995 516 HD21 ASN 69 1HD2 ASN 69 7.233 -26.561 -1.123 517 HD22 ASN 69 2HD2 ASN 69 6.105 -25.259 -0.991 518 H CYS 70 H CYS 70 3.655 -28.224 -4.163 519 HA CYS 70 HA CYS 70 1.264 -28.938 -2.725 520 HB2 CYS 70 1HB CYS 70 1.438 -26.845 -4.044 521 HB3 CYS 70 2HB CYS 70 1.567 -27.805 -5.514 522 H ALA 71 H ALA 71 -0.174 -30.541 -3.174 523 HA ALA 71 HA ALA 71 0.716 -32.572 -5.101 524 HB1 ALA 71 1HB ALA 71 -0.121 -34.192 -3.739 525 HB2 ALA 71 2HB ALA 71 0.228 -32.961 -2.525 526 HB3 ALA 71 3HB ALA 71 -1.417 -33.165 -3.126 527 H GLY 72 H GLY 72 -2.202 -30.880 -3.976 528 HA2 GLY 72 1HA GLY 72 -3.315 -30.351 -6.424 529 HA3 GLY 72 2HA GLY 72 -3.860 -31.977 -6.042 530 HA PRO 73 HA PRO 73 -6.810 -28.854 -4.215 531 HB2 PRO 73 1HB PRO 73 -9.041 -29.906 -5.350 532 HB3 PRO 73 2HB PRO 73 -8.039 -28.688 -6.149 533 HG2 PRO 73 1HG PRO 73 -8.079 -31.657 -6.534 534 HG3 PRO 73 2HG PRO 73 -7.986 -30.372 -7.752 535 HD2 PRO 73 1HD PRO 73 -5.812 -31.759 -6.928 536 HD3 PRO 73 2HD PRO 73 -5.725 -30.058 -7.431 537 H ASP 74 H ASP 74 -7.611 -29.248 -2.249 538 HA ASP 74 HA ASP 74 -7.609 -31.867 -1.144 539 HB2 ASP 74 1HB ASP 74 -8.809 -30.627 0.794 540 HB3 ASP 74 2HB ASP 74 -7.144 -30.196 0.417 541 H GLY 75 H GLY 75 -10.286 -29.564 -1.691 542 HA2 GLY 75 1HA GLY 75 -12.294 -30.341 -2.830 543 HA3 GLY 75 2HA GLY 75 -12.058 -31.899 -2.050 544 H VAL 76 H VAL 76 -12.503 -28.470 -1.182 545 HA VAL 76 HA VAL 76 -14.433 -29.343 0.861 546 HB VAL 76 HB VAL 76 -12.331 -27.205 1.239 547 HG11 VAL 76 1HG1 VAL 76 -14.831 -27.836 2.659 548 HG12 VAL 76 2HG1 VAL 76 -13.415 -27.587 3.682 549 HG13 VAL 76 3HG1 VAL 76 -13.929 -26.324 2.563 550 HG21 VAL 76 1HG2 VAL 76 -11.552 -28.703 3.070 551 HG22 VAL 76 2HG2 VAL 76 -12.678 -29.929 2.486 552 HG23 VAL 76 3HG2 VAL 76 -11.353 -29.387 1.456 553 H GLU 77 H GLU 77 -13.141 -26.418 -0.729 554 HA GLU 77 HA GLU 77 -15.305 -24.750 -0.365 555 HB2 GLU 77 1HB GLU 77 -13.535 -24.882 -2.812 556 HB3 GLU 77 2HB GLU 77 -14.517 -23.509 -2.322 557 HG2 GLU 77 1HG GLU 77 -13.184 -23.335 -0.254 558 HG3 GLU 77 2HG GLU 77 -12.163 -24.649 -0.835 559 H GLY 78 H GLY 78 -17.363 -24.881 -0.952 560 HA2 GLY 78 1HA GLY 78 -18.339 -26.905 -2.680 561 HA3 GLY 78 2HA GLY 78 -19.274 -25.567 -2.028 562 H GLU 79 H GLU 79 -19.653 -23.773 -3.271 563 HA GLU 79 HA GLU 79 -18.503 -23.777 -5.981 564 HB2 GLU 79 1HB GLU 79 -20.629 -23.194 -6.937 565 HB3 GLU 79 2HB GLU 79 -20.841 -24.647 -5.970 566 HG2 GLU 79 1HG GLU 79 -22.695 -23.357 -5.449 567 HG3 GLU 79 2HG GLU 79 -21.594 -23.069 -4.103 568 H ASN 80 H ASN 80 -18.401 -21.710 -7.017 569 HA ASN 80 HA ASN 80 -18.432 -19.462 -5.110 570 HB2 ASN 80 1HB ASN 80 -16.183 -20.359 -6.110 571 HB3 ASN 80 2HB ASN 80 -16.686 -19.476 -7.548 572 HD21 ASN 80 1HD2 ASN 80 -15.571 -17.668 -7.638 573 HD22 ASN 80 2HD2 ASN 80 -15.300 -16.575 -6.328 574 H SER 81 H SER 81 -19.313 -17.530 -5.744 575 HA SER 81 HA SER 81 -21.282 -17.615 -7.791 576 HB2 SER 81 1HB SER 81 -21.918 -15.466 -7.071 577 HB3 SER 81 2HB SER 81 -21.287 -16.232 -5.613 578 HG SER 81 HG SER 81 -19.894 -14.437 -7.317 579 H GLY 82 H GLY 82 -21.414 -16.382 -9.708 580 HA2 GLY 82 1HA GLY 82 -19.436 -14.681 -10.709 581 HA3 GLY 82 2HA GLY 82 -19.040 -16.311 -11.235 582 HA PRO 83 HA PRO 83 -22.609 -14.205 -13.720 583 HB2 PRO 83 1HB PRO 83 -21.242 -12.707 -15.524 584 HB3 PRO 83 2HB PRO 83 -21.824 -12.062 -13.984 585 HG2 PRO 83 1HG PRO 83 -19.085 -13.017 -14.724 586 HG3 PRO 83 2HG PRO 83 -19.557 -11.583 -13.793 587 HD2 PRO 83 1HD PRO 83 -18.677 -13.858 -12.618 588 HD3 PRO 83 2HD PRO 83 -19.872 -12.790 -11.855 589 H SER 84 H SER 84 -19.379 -14.856 -15.100 590 HA SER 84 HA SER 84 -20.670 -16.584 -17.102 591 HB2 SER 84 1HB SER 84 -19.442 -14.852 -18.192 592 HB3 SER 84 2HB SER 84 -18.046 -15.086 -17.141 593 HG SER 84 HG SER 84 -18.930 -16.626 -19.307 594 H SER 85 H SER 85 -20.744 -18.569 -16.192 595 HA SER 85 HA SER 85 -18.938 -19.689 -14.410 596 HB2 SER 85 1HB SER 85 -21.080 -20.725 -14.739 597 HB3 SER 85 2HB SER 85 -20.742 -21.011 -16.446 598 HG SER 85 HG SER 85 -19.007 -22.397 -15.719 599 H GLY 86 H GLY 86 -19.077 -20.137 -17.946 600 HA2 GLY 86 1HA GLY 86 -17.521 -21.061 -19.386 601 HA3 GLY 86 2HA GLY 86 -16.458 -19.914 -18.584 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -4.179 -12.129 16.481 2 HA2 GLY 1 1HA GLY 1 -2.497 -12.408 14.944 3 HA3 GLY 1 2HA GLY 1 -2.844 -14.129 15.034 4 H SER 2 H SER 2 -3.151 -11.258 13.191 5 HA SER 2 HA SER 2 -5.124 -12.308 11.364 6 HB2 SER 2 1HB SER 2 -4.770 -10.237 10.112 7 HB3 SER 2 2HB SER 2 -4.973 -9.883 11.828 8 HG SER 2 HG SER 2 -2.674 -9.761 11.967 9 H SER 3 H SER 3 -3.136 -14.138 11.513 10 HA SER 3 HA SER 3 -0.969 -13.946 9.813 11 HB2 SER 3 1HB SER 3 -1.134 -16.429 9.600 12 HB3 SER 3 2HB SER 3 -1.255 -15.864 11.266 13 HG SER 3 HG SER 3 -2.901 -17.455 10.168 14 H GLY 4 H GLY 4 -4.195 -15.239 8.997 15 HA2 GLY 4 1HA GLY 4 -4.603 -13.988 6.609 16 HA3 GLY 4 2HA GLY 4 -3.569 -15.347 6.191 17 H SER 5 H SER 5 -6.717 -14.374 7.340 18 HA SER 5 HA SER 5 -7.756 -16.998 7.707 19 HB2 SER 5 1HB SER 5 -8.781 -15.054 8.791 20 HB3 SER 5 2HB SER 5 -9.203 -14.383 7.216 21 HG SER 5 HG SER 5 -10.279 -16.607 8.554 22 H SER 6 H SER 6 -9.056 -18.234 6.367 23 HA SER 6 HA SER 6 -8.649 -17.779 3.526 24 HB2 SER 6 1HB SER 6 -9.545 -20.102 5.194 25 HB3 SER 6 2HB SER 6 -9.914 -20.082 3.469 26 HG SER 6 HG SER 6 -7.673 -19.839 3.076 27 H GLY 7 H GLY 7 -11.373 -18.286 5.756 28 HA2 GLY 7 1HA GLY 7 -13.392 -17.944 3.793 29 HA3 GLY 7 2HA GLY 7 -13.617 -17.840 5.532 30 H ARG 8 H ARG 8 -14.629 -16.198 3.227 31 HA ARG 8 HA ARG 8 -13.743 -13.581 4.252 32 HB2 ARG 8 1HB ARG 8 -12.991 -14.158 1.886 33 HB3 ARG 8 2HB ARG 8 -14.687 -14.066 1.430 34 HG2 ARG 8 1HG ARG 8 -13.732 -11.979 0.893 35 HG3 ARG 8 2HG ARG 8 -14.691 -11.724 2.353 36 HD2 ARG 8 1HD ARG 8 -12.466 -12.183 3.596 37 HD3 ARG 8 2HD ARG 8 -11.716 -11.844 2.038 38 HE ARG 8 HE ARG 8 -13.008 -9.952 3.802 39 HH11 ARG 8 2HH1 ARG 8 -11.834 -10.606 0.591 40 HH12 ARG 8 1HH1 ARG 8 -11.688 -8.934 0.163 41 HH21 ARG 8 2HH2 ARG 8 -12.820 -7.747 3.251 42 HH22 ARG 8 1HH2 ARG 8 -12.248 -7.308 1.677 43 H THR 9 H THR 9 -15.816 -14.862 5.465 44 HA THR 9 HA THR 9 -18.365 -14.321 4.367 45 HB THR 9 HB THR 9 -19.221 -14.665 6.668 46 HG1 THR 9 1HG THR 9 -16.570 -15.205 7.486 47 HG21 THR 9 1HG2 THR 9 -19.152 -16.784 5.962 48 HG22 THR 9 2HG2 THR 9 -17.634 -16.939 6.846 49 HG23 THR 9 3HG2 THR 9 -17.618 -16.528 5.131 50 H HIS 10 H HIS 10 -18.768 -12.264 3.744 51 HA HIS 10 HA HIS 10 -18.058 -10.030 5.451 52 HB2 HIS 10 1HB HIS 10 -18.615 -8.634 3.647 53 HB3 HIS 10 2HB HIS 10 -17.937 -10.067 2.879 54 HD1 HIS 10 1HD HIS 10 -21.005 -8.037 3.099 55 HD2 HIS 10 2HD HIS 10 -19.881 -11.750 1.612 56 HE1 HIS 10 1HE HIS 10 -22.881 -8.750 1.583 57 H THR 11 H THR 11 -19.473 -8.699 6.528 58 HA THR 11 HA THR 11 -22.332 -9.251 6.399 59 HB THR 11 HB THR 11 -20.834 -9.368 9.024 60 HG1 THR 11 1HG THR 11 -20.563 -11.271 7.751 61 HG21 THR 11 1HG2 THR 11 -23.337 -8.509 8.739 62 HG22 THR 11 2HG2 THR 11 -22.843 -9.516 10.100 63 HG23 THR 11 3HG2 THR 11 -23.656 -10.243 8.714 64 H GLY 12 H GLY 12 -23.049 -7.269 5.904 65 HA2 GLY 12 1HA GLY 12 -23.728 -5.201 7.157 66 HA3 GLY 12 2HA GLY 12 -22.014 -5.001 7.490 67 H GLU 13 H GLU 13 -22.596 -2.851 6.489 68 HA GLU 13 HA GLU 13 -22.493 -3.002 3.552 69 HB2 GLU 13 1HB GLU 13 -23.609 -0.963 5.445 70 HB3 GLU 13 2HB GLU 13 -23.128 -0.484 3.823 71 HG2 GLU 13 1HG GLU 13 -25.005 -2.770 4.293 72 HG3 GLU 13 2HG GLU 13 -25.570 -1.103 4.214 73 H LYS 14 H LYS 14 -21.386 -0.919 2.630 74 HA LYS 14 HA LYS 14 -18.786 -0.671 3.990 75 HB2 LYS 14 1HB LYS 14 -19.532 -0.597 1.071 76 HB3 LYS 14 2HB LYS 14 -17.978 -0.016 1.654 77 HG2 LYS 14 1HG LYS 14 -17.247 -2.122 2.216 78 HG3 LYS 14 2HG LYS 14 -18.884 -2.760 2.388 79 HD2 LYS 14 1HD LYS 14 -19.109 -2.400 -0.126 80 HD3 LYS 14 2HD LYS 14 -17.358 -2.176 -0.137 81 HE2 LYS 14 1HE LYS 14 -17.560 -4.430 -0.599 82 HE3 LYS 14 2HE LYS 14 -17.325 -4.433 1.148 83 HZ1 LYS 14 1HZ LYS 14 -20.025 -4.431 -0.057 84 HZ2 LYS 14 2HZ LYS 14 -19.577 -4.854 1.518 85 HZ3 LYS 14 3HZ LYS 14 -19.179 -5.869 0.225 86 HA PRO 15 HA PRO 15 -20.211 3.557 4.551 87 HB2 PRO 15 1HB PRO 15 -18.195 4.254 6.231 88 HB3 PRO 15 2HB PRO 15 -19.611 3.336 6.758 89 HG2 PRO 15 1HG PRO 15 -16.872 2.354 6.051 90 HG3 PRO 15 2HG PRO 15 -17.919 1.876 7.400 91 HD2 PRO 15 1HD PRO 15 -17.676 0.392 5.148 92 HD3 PRO 15 2HD PRO 15 -19.182 0.466 6.085 93 H TYR 16 H TYR 16 -16.925 2.521 3.762 94 HA TYR 16 HA TYR 16 -16.115 5.109 2.818 95 HB2 TYR 16 1HB TYR 16 -14.779 2.452 2.284 96 HB3 TYR 16 2HB TYR 16 -14.047 4.051 2.201 97 HD1 TYR 16 2HD TYR 16 -15.488 1.554 4.529 98 HD2 TYR 16 1HD TYR 16 -13.109 5.058 4.119 99 HE1 TYR 16 2HE TYR 16 -14.795 1.352 6.880 100 HE2 TYR 16 1HE TYR 16 -12.408 4.864 6.469 101 HH TYR 16 HH TYR 16 -12.865 3.838 8.448 102 H ALA 17 H ALA 17 -17.342 5.824 1.146 103 HA ALA 17 HA ALA 17 -17.548 4.091 -1.227 104 HB1 ALA 17 1HB ALA 17 -19.386 6.042 0.005 105 HB2 ALA 17 2HB ALA 17 -19.318 6.040 -1.758 106 HB3 ALA 17 3HB ALA 17 -19.731 4.561 -0.890 107 H CYS 18 H CYS 18 -16.178 4.569 -2.802 108 HA CYS 18 HA CYS 18 -14.453 6.703 -2.922 109 HB2 CYS 18 1HB CYS 18 -14.574 4.530 -4.353 110 HB3 CYS 18 2HB CYS 18 -15.541 5.508 -5.453 111 H SER 19 H SER 19 -14.401 8.674 -4.009 112 HA SER 19 HA SER 19 -17.013 9.911 -4.355 113 HB2 SER 19 1HB SER 19 -14.216 11.061 -4.281 114 HB3 SER 19 2HB SER 19 -15.667 12.029 -4.539 115 HG SER 19 HG SER 19 -16.384 11.450 -2.501 116 H HIS 20 H HIS 20 -14.072 9.284 -6.217 117 HA HIS 20 HA HIS 20 -14.828 10.615 -8.571 118 HB2 HIS 20 1HB HIS 20 -12.871 8.458 -7.905 119 HB3 HIS 20 2HB HIS 20 -13.227 8.779 -9.599 120 HD1 HIS 20 1HD HIS 20 -12.775 11.288 -6.783 121 HD2 HIS 20 2HD HIS 20 -11.047 10.186 -10.397 122 HE1 HIS 20 1HE HIS 20 -10.981 12.996 -7.219 123 H CYS 21 H CYS 21 -15.325 7.274 -7.509 124 HA CYS 21 HA CYS 21 -17.278 6.962 -9.694 125 HB2 CYS 21 1HB CYS 21 -16.687 4.619 -9.872 126 HB3 CYS 21 2HB CYS 21 -15.237 5.598 -10.065 127 H ASP 22 H ASP 22 -18.681 4.880 -9.129 128 HA ASP 22 HA ASP 22 -19.840 5.450 -6.503 129 HB2 ASP 22 1HB ASP 22 -21.127 5.365 -8.797 130 HB3 ASP 22 2HB ASP 22 -21.126 3.629 -8.499 131 H LYS 23 H LYS 23 -17.533 4.090 -6.223 132 HA LYS 23 HA LYS 23 -18.323 1.287 -5.801 133 HB2 LYS 23 1HB LYS 23 -15.630 2.586 -6.176 134 HB3 LYS 23 2HB LYS 23 -15.799 0.952 -5.546 135 HG2 LYS 23 1HG LYS 23 -17.196 1.593 -8.080 136 HG3 LYS 23 2HG LYS 23 -15.437 1.452 -8.121 137 HD2 LYS 23 1HD LYS 23 -15.731 -0.766 -6.924 138 HD3 LYS 23 2HD LYS 23 -17.453 -0.621 -7.285 139 HE2 LYS 23 1HE LYS 23 -16.778 -1.824 -9.104 140 HE3 LYS 23 2HE LYS 23 -16.544 -0.191 -9.726 141 HZ1 LYS 23 1HZ LYS 23 -14.235 -0.320 -9.322 142 HZ2 LYS 23 2HZ LYS 23 -14.654 -1.764 -10.097 143 HZ3 LYS 23 3HZ LYS 23 -14.382 -1.748 -8.427 144 H THR 24 H THR 24 -17.986 0.300 -3.812 145 HA THR 24 HA THR 24 -17.340 2.118 -1.583 146 HB THR 24 HB THR 24 -18.937 0.844 -0.185 147 HG1 THR 24 1HG THR 24 -20.177 -0.240 -2.435 148 HG21 THR 24 1HG2 THR 24 -20.481 2.368 -0.708 149 HG22 THR 24 2HG2 THR 24 -20.804 1.588 -2.257 150 HG23 THR 24 3HG2 THR 24 -19.509 2.777 -2.121 151 H PHE 25 H PHE 25 -16.484 1.080 0.340 152 HA PHE 25 HA PHE 25 -15.432 -1.614 0.025 153 HB2 PHE 25 1HB PHE 25 -13.536 0.640 0.677 154 HB3 PHE 25 2HB PHE 25 -13.142 -1.035 0.309 155 HD1 PHE 25 1HD PHE 25 -14.512 2.077 -1.163 156 HD2 PHE 25 2HD PHE 25 -12.701 -1.707 -1.883 157 HE1 PHE 25 1HE PHE 25 -14.213 2.674 -3.531 158 HE2 PHE 25 2HE PHE 25 -12.398 -1.115 -4.252 159 HZ PHE 25 HZ PHE 25 -13.154 1.078 -5.079 160 H ARG 26 H ARG 26 -14.645 -2.530 1.999 161 HA ARG 26 HA ARG 26 -16.101 -1.623 4.290 162 HB2 ARG 26 1HB ARG 26 -15.575 -4.045 3.630 163 HB3 ARG 26 2HB ARG 26 -13.975 -3.754 4.298 164 HG2 ARG 26 1HG ARG 26 -15.355 -2.952 6.388 165 HG3 ARG 26 2HG ARG 26 -16.595 -3.986 5.677 166 HD2 ARG 26 1HD ARG 26 -14.604 -5.696 5.509 167 HD3 ARG 26 2HD ARG 26 -13.930 -4.703 6.801 168 HE ARG 26 HE ARG 26 -16.649 -5.708 7.138 169 HH11 ARG 26 2HH1 ARG 26 -13.270 -5.915 7.950 170 HH12 ARG 26 1HH1 ARG 26 -13.538 -6.853 9.382 171 HH21 ARG 26 2HH2 ARG 26 -17.015 -6.941 9.021 172 HH22 ARG 26 1HH2 ARG 26 -15.669 -7.436 9.990 173 H GLN 27 H GLN 27 -12.619 -2.094 3.666 174 HA GLN 27 HA GLN 27 -12.035 -0.292 5.905 175 HB2 GLN 27 1HB GLN 27 -10.469 -2.426 4.498 176 HB3 GLN 27 2HB GLN 27 -9.628 -1.170 5.397 177 HG2 GLN 27 1HG GLN 27 -10.530 -1.853 7.433 178 HG3 GLN 27 2HG GLN 27 -11.815 -2.778 6.657 179 HE21 GLN 27 1HE2 GLN 27 -11.541 -4.855 6.988 180 HE22 GLN 27 2HE2 GLN 27 -10.038 -5.708 6.954 181 H LYS 28 H LYS 28 -11.116 1.654 5.618 182 HA LYS 28 HA LYS 28 -11.245 3.074 3.298 183 HB2 LYS 28 1HB LYS 28 -10.825 4.160 5.415 184 HB3 LYS 28 2HB LYS 28 -9.254 3.381 5.551 185 HG2 LYS 28 1HG LYS 28 -8.734 5.533 4.871 186 HG3 LYS 28 2HG LYS 28 -8.688 4.611 3.366 187 HD2 LYS 28 1HD LYS 28 -10.902 5.384 2.779 188 HD3 LYS 28 2HD LYS 28 -11.059 6.209 4.332 189 HE2 LYS 28 1HE LYS 28 -9.645 7.905 3.727 190 HE3 LYS 28 2HE LYS 28 -8.741 6.895 2.600 191 HZ1 LYS 28 1HZ LYS 28 -10.126 8.606 1.513 192 HZ2 LYS 28 2HZ LYS 28 -11.510 7.853 2.127 193 HZ3 LYS 28 3HZ LYS 28 -10.519 7.033 1.029 194 H GLN 29 H GLN 29 -8.514 1.131 4.431 195 HA GLN 29 HA GLN 29 -6.560 1.793 2.638 196 HB2 GLN 29 1HB GLN 29 -6.468 0.076 4.514 197 HB3 GLN 29 2HB GLN 29 -7.164 -1.068 3.374 198 HG2 GLN 29 1HG GLN 29 -5.234 -0.634 1.864 199 HG3 GLN 29 2HG GLN 29 -4.521 0.348 3.143 200 HE21 GLN 29 1HE2 GLN 29 -2.738 -1.000 3.321 201 HE22 GLN 29 2HE2 GLN 29 -2.832 -2.564 4.047 202 H LEU 30 H LEU 30 -9.278 -0.415 2.108 203 HA LEU 30 HA LEU 30 -8.541 -1.297 -0.452 204 HB2 LEU 30 1HB LEU 30 -11.078 -1.176 1.096 205 HB3 LEU 30 2HB LEU 30 -11.170 -1.511 -0.632 206 HG LEU 30 HG LEU 30 -11.200 -3.608 0.433 207 HD11 LEU 30 1HD1 LEU 30 -9.633 -4.589 -0.824 208 HD12 LEU 30 2HD1 LEU 30 -8.318 -3.709 -0.047 209 HD13 LEU 30 3HD1 LEU 30 -9.239 -2.952 -1.347 210 HD21 LEU 30 1HD2 LEU 30 -9.308 -4.233 2.024 211 HD22 LEU 30 2HD2 LEU 30 -10.555 -3.149 2.641 212 HD23 LEU 30 3HD2 LEU 30 -8.992 -2.502 2.142 213 H LEU 31 H LEU 31 -10.692 1.356 0.541 214 HA LEU 31 HA LEU 31 -11.219 2.230 -2.113 215 HB2 LEU 31 1HB LEU 31 -12.797 2.777 -0.434 216 HB3 LEU 31 2HB LEU 31 -11.561 3.516 0.582 217 HG LEU 31 HG LEU 31 -11.372 5.383 -0.957 218 HD11 LEU 31 1HD1 LEU 31 -12.310 5.497 -3.013 219 HD12 LEU 31 2HD1 LEU 31 -13.717 4.542 -2.550 220 HD13 LEU 31 3HD1 LEU 31 -12.186 3.742 -2.901 221 HD21 LEU 31 1HD2 LEU 31 -12.930 6.088 0.504 222 HD22 LEU 31 2HD2 LEU 31 -13.913 4.635 0.322 223 HD23 LEU 31 3HD2 LEU 31 -14.020 5.929 -0.873 224 H ASP 32 H ASP 32 -8.596 2.669 0.039 225 HA ASP 32 HA ASP 32 -7.659 5.138 -1.120 226 HB2 ASP 32 1HB ASP 32 -7.249 4.195 1.286 227 HB3 ASP 32 2HB ASP 32 -5.931 3.314 0.517 228 H MET 33 H MET 33 -6.821 1.707 -1.330 229 HA MET 33 HA MET 33 -4.680 2.188 -3.200 230 HB2 MET 33 1HB MET 33 -4.432 -0.219 -3.255 231 HB3 MET 33 2HB MET 33 -4.622 0.307 -1.588 232 HG2 MET 33 1HG MET 33 -6.005 -1.502 -1.614 233 HG3 MET 33 2HG MET 33 -7.144 -0.224 -2.029 234 HE1 MET 33 1HE MET 33 -7.367 -3.201 -2.222 235 HE2 MET 33 2HE MET 33 -7.865 -3.711 -3.835 236 HE3 MET 33 3HE MET 33 -6.185 -3.899 -3.331 237 H HIS 34 H HIS 34 -8.065 1.376 -3.332 238 HA HIS 34 HA HIS 34 -8.207 0.350 -5.935 239 HB2 HIS 34 1HB HIS 34 -10.195 0.027 -4.848 240 HB3 HIS 34 2HB HIS 34 -10.126 1.585 -4.031 241 HD1 HIS 34 1HD HIS 34 -11.483 -0.102 -7.024 242 HD2 HIS 34 2HD HIS 34 -11.093 3.776 -5.587 243 HE1 HIS 34 1HE HIS 34 -13.013 1.298 -8.446 244 H PHE 35 H PHE 35 -8.454 3.680 -4.742 245 HA PHE 35 HA PHE 35 -9.023 4.895 -7.209 246 HB2 PHE 35 1HB PHE 35 -9.293 6.013 -5.016 247 HB3 PHE 35 2HB PHE 35 -7.542 6.077 -4.851 248 HD1 PHE 35 2HD PHE 35 -6.291 7.241 -6.851 249 HD2 PHE 35 1HD PHE 35 -10.390 7.838 -5.873 250 HE1 PHE 35 2HE PHE 35 -6.258 9.393 -8.043 251 HE2 PHE 35 1HE PHE 35 -10.364 9.991 -7.064 252 HZ PHE 35 HZ PHE 35 -8.295 10.772 -8.150 253 H LYS 36 H LYS 36 -5.910 4.643 -5.487 254 HA LYS 36 HA LYS 36 -4.368 5.700 -7.607 255 HB2 LYS 36 1HB LYS 36 -3.762 4.183 -5.101 256 HB3 LYS 36 2HB LYS 36 -2.493 4.388 -6.302 257 HG2 LYS 36 1HG LYS 36 -4.051 6.693 -5.166 258 HG3 LYS 36 2HG LYS 36 -2.556 6.089 -4.448 259 HD2 LYS 36 1HD LYS 36 -2.731 6.896 -7.339 260 HD3 LYS 36 2HD LYS 36 -2.364 8.057 -6.060 261 HE2 LYS 36 1HE LYS 36 -0.806 5.514 -6.260 262 HE3 LYS 36 2HE LYS 36 -0.430 6.858 -7.336 263 HZ1 LYS 36 1HZ LYS 36 -0.670 7.422 -4.476 264 HZ2 LYS 36 2HZ LYS 36 0.339 8.129 -5.635 265 HZ3 LYS 36 3HZ LYS 36 0.716 6.606 -5.002 266 H ARG 37 H ARG 37 -6.012 2.827 -7.419 267 HA ARG 37 HA ARG 37 -4.081 1.322 -9.020 268 HB2 ARG 37 1HB ARG 37 -5.165 0.169 -7.133 269 HB3 ARG 37 2HB ARG 37 -6.739 0.467 -7.859 270 HG2 ARG 37 1HG ARG 37 -5.623 -0.791 -9.904 271 HG3 ARG 37 2HG ARG 37 -4.637 -1.480 -8.613 272 HD2 ARG 37 1HD ARG 37 -6.832 -1.988 -7.428 273 HD3 ARG 37 2HD ARG 37 -7.619 -1.616 -8.961 274 HE ARG 37 HE ARG 37 -6.132 -3.982 -8.308 275 HH11 ARG 37 2HH1 ARG 37 -7.196 -1.902 -10.889 276 HH12 ARG 37 1HH1 ARG 37 -7.103 -3.138 -12.099 277 HH21 ARG 37 2HH2 ARG 37 -6.006 -5.618 -9.893 278 HH22 ARG 37 1HH2 ARG 37 -6.426 -5.252 -11.532 279 H TYR 38 H TYR 38 -7.599 1.918 -9.148 280 HA TYR 38 HA TYR 38 -7.718 1.370 -11.951 281 HB2 TYR 38 1HB TYR 38 -9.687 2.393 -9.924 282 HB3 TYR 38 2HB TYR 38 -10.086 2.381 -11.639 283 HD1 TYR 38 1HD TYR 38 -8.796 0.106 -8.971 284 HD2 TYR 38 2HD TYR 38 -11.092 0.498 -12.532 285 HE1 TYR 38 1HE TYR 38 -9.468 -2.254 -8.791 286 HE2 TYR 38 2HE TYR 38 -11.771 -1.859 -12.361 287 HH TYR 38 HH TYR 38 -11.591 -3.749 -11.218 288 H HIS 39 H HIS 39 -8.612 4.342 -10.193 289 HA HIS 39 HA HIS 39 -8.629 6.029 -12.401 290 HB2 HIS 39 1HB HIS 39 -7.973 6.725 -9.530 291 HB3 HIS 39 2HB HIS 39 -8.422 7.880 -10.781 292 HD1 HIS 39 1HD HIS 39 -10.877 6.804 -11.999 293 HD2 HIS 39 2HD HIS 39 -10.117 6.402 -7.934 294 HE1 HIS 39 1HE HIS 39 -13.123 6.439 -10.929 295 H ASP 40 H ASP 40 -5.971 4.746 -10.611 296 HA ASP 40 HA ASP 40 -4.128 6.315 -12.284 297 HB2 ASP 40 1HB ASP 40 -4.319 6.862 -9.692 298 HB3 ASP 40 2HB ASP 40 -3.250 5.468 -9.561 299 HA PRO 41 HA PRO 41 -2.967 2.141 -13.383 300 HB2 PRO 41 1HB PRO 41 -1.179 2.871 -15.291 301 HB3 PRO 41 2HB PRO 41 -2.926 2.881 -15.558 302 HG2 PRO 41 1HG PRO 41 -1.098 5.155 -14.888 303 HG3 PRO 41 2HG PRO 41 -2.425 5.096 -16.062 304 HD2 PRO 41 1HD PRO 41 -2.695 6.224 -13.616 305 HD3 PRO 41 2HD PRO 41 -4.037 5.412 -14.446 306 H ASN 42 H ASN 42 -1.336 4.369 -11.601 307 HA ASN 42 HA ASN 42 1.334 3.372 -11.764 308 HB2 ASN 42 1HB ASN 42 -0.033 5.034 -9.637 309 HB3 ASN 42 2HB ASN 42 1.697 4.710 -9.698 310 HD21 ASN 42 1HD2 ASN 42 2.899 5.530 -11.493 311 HD22 ASN 42 2HD2 ASN 42 2.355 6.942 -12.327 312 H PHE 43 H PHE 43 -1.009 3.222 -9.076 313 HA PHE 43 HA PHE 43 0.390 1.173 -7.712 314 HB2 PHE 43 1HB PHE 43 -1.280 2.831 -6.730 315 HB3 PHE 43 2HB PHE 43 -2.544 1.797 -7.388 316 HD1 PHE 43 1HD PHE 43 -2.372 -0.731 -6.727 317 HD2 PHE 43 2HD PHE 43 -0.534 2.457 -4.587 318 HE1 PHE 43 1HE PHE 43 -2.262 -2.147 -4.718 319 HE2 PHE 43 2HE PHE 43 -0.420 1.046 -2.576 320 HZ PHE 43 HZ PHE 43 -1.284 -1.260 -2.639 321 H VAL 44 H VAL 44 -0.011 -1.021 -7.541 322 HA VAL 44 HA VAL 44 -2.138 -2.288 -9.000 323 HB VAL 44 HB VAL 44 -0.601 -1.884 -10.850 324 HG11 VAL 44 1HG1 VAL 44 1.630 -2.434 -10.876 325 HG12 VAL 44 2HG1 VAL 44 1.421 -1.968 -9.187 326 HG13 VAL 44 3HG1 VAL 44 1.451 -3.674 -9.635 327 HG21 VAL 44 1HG2 VAL 44 -0.093 -4.738 -10.575 328 HG22 VAL 44 2HG2 VAL 44 -1.750 -4.292 -10.167 329 HG23 VAL 44 3HG2 VAL 44 -1.088 -3.873 -11.747 330 HA PRO 45 HA PRO 45 -1.146 -4.866 -5.464 331 HB2 PRO 45 1HB PRO 45 -3.415 -6.350 -5.612 332 HB3 PRO 45 2HB PRO 45 -3.372 -4.729 -4.909 333 HG2 PRO 45 1HG PRO 45 -4.241 -5.587 -7.642 334 HG3 PRO 45 2HG PRO 45 -4.998 -4.420 -6.542 335 HD2 PRO 45 1HD PRO 45 -3.451 -3.661 -8.631 336 HD3 PRO 45 2HD PRO 45 -3.533 -2.736 -7.118 337 H ALA 46 H ALA 46 -0.158 -6.810 -5.310 338 HA ALA 46 HA ALA 46 0.450 -8.248 -7.705 339 HB1 ALA 46 1HB ALA 46 1.308 -9.827 -5.605 340 HB2 ALA 46 2HB ALA 46 2.255 -8.599 -6.446 341 HB3 ALA 46 3HB ALA 46 1.395 -8.186 -4.963 342 H ALA 47 H ALA 47 -1.028 -9.514 -8.631 343 HA ALA 47 HA ALA 47 -2.633 -11.279 -6.899 344 HB1 ALA 47 1HB ALA 47 -4.037 -9.665 -8.030 345 HB2 ALA 47 2HB ALA 47 -3.353 -10.125 -9.590 346 HB3 ALA 47 3HB ALA 47 -4.331 -11.278 -8.682 347 H PHE 48 H PHE 48 -1.729 -13.238 -6.926 348 HA PHE 48 HA PHE 48 -0.977 -14.372 -9.539 349 HB2 PHE 48 1HB PHE 48 0.380 -14.838 -6.875 350 HB3 PHE 48 2HB PHE 48 0.776 -15.675 -8.373 351 HD1 PHE 48 2HD PHE 48 0.623 -12.294 -6.846 352 HD2 PHE 48 1HD PHE 48 2.345 -14.787 -9.835 353 HE1 PHE 48 2HE PHE 48 2.211 -10.504 -7.419 354 HE2 PHE 48 1HE PHE 48 3.937 -13.001 -10.412 355 HZ PHE 48 HZ PHE 48 3.870 -10.856 -9.204 356 H VAL 49 H VAL 49 -1.709 -16.385 -10.008 357 HA VAL 49 HA VAL 49 -3.290 -17.751 -7.927 358 HB VAL 49 HB VAL 49 -3.891 -17.320 -10.836 359 HG11 VAL 49 1HG1 VAL 49 -5.643 -19.030 -10.689 360 HG12 VAL 49 2HG1 VAL 49 -4.033 -19.726 -10.496 361 HG13 VAL 49 3HG1 VAL 49 -5.064 -19.479 -9.085 362 HG21 VAL 49 1HG2 VAL 49 -4.885 -15.720 -9.392 363 HG22 VAL 49 2HG2 VAL 49 -6.162 -16.846 -9.851 364 HG23 VAL 49 3HG2 VAL 49 -5.410 -16.967 -8.260 365 H CYS 50 H CYS 50 -3.078 -19.942 -7.725 366 HA CYS 50 HA CYS 50 -0.677 -21.124 -8.669 367 HB2 CYS 50 1HB CYS 50 -1.997 -21.639 -6.512 368 HB3 CYS 50 2HB CYS 50 -2.993 -22.674 -7.530 369 H SER 51 H SER 51 -0.325 -22.690 -10.207 370 HA SER 51 HA SER 51 -2.427 -22.938 -12.230 371 HB2 SER 51 1HB SER 51 0.549 -23.081 -12.263 372 HB3 SER 51 2HB SER 51 -0.326 -24.040 -13.457 373 HG SER 51 HG SER 51 0.190 -21.888 -14.164 374 H LYS 52 H LYS 52 -1.192 -24.651 -9.657 375 HA LYS 52 HA LYS 52 -1.499 -27.289 -10.834 376 HB2 LYS 52 1HB LYS 52 -0.884 -26.448 -7.995 377 HB3 LYS 52 2HB LYS 52 -0.878 -28.105 -8.584 378 HG2 LYS 52 1HG LYS 52 0.891 -27.371 -10.236 379 HG3 LYS 52 2HG LYS 52 0.997 -25.874 -9.306 380 HD2 LYS 52 1HD LYS 52 1.817 -26.963 -7.417 381 HD3 LYS 52 2HD LYS 52 1.228 -28.539 -7.953 382 HE2 LYS 52 1HE LYS 52 3.287 -27.104 -9.571 383 HE3 LYS 52 2HE LYS 52 3.773 -27.952 -8.103 384 HZ1 LYS 52 1HZ LYS 52 2.145 -29.701 -9.473 385 HZ2 LYS 52 2HZ LYS 52 3.826 -29.789 -9.316 386 HZ3 LYS 52 3HZ LYS 52 3.142 -29.016 -10.656 387 H CYS 53 H CYS 53 -2.964 -25.494 -8.121 388 HA CYS 53 HA CYS 53 -5.306 -27.257 -8.308 389 HB2 CYS 53 1HB CYS 53 -5.872 -26.476 -6.057 390 HB3 CYS 53 2HB CYS 53 -4.239 -27.132 -6.100 391 H GLY 54 H GLY 54 -4.403 -23.831 -8.036 392 HA2 GLY 54 1HA GLY 54 -5.505 -22.262 -9.555 393 HA3 GLY 54 2HA GLY 54 -6.989 -23.169 -9.302 394 H LYS 55 H LYS 55 -4.697 -22.228 -6.797 395 HA LYS 55 HA LYS 55 -6.850 -20.841 -5.408 396 HB2 LYS 55 1HB LYS 55 -4.165 -21.905 -4.622 397 HB3 LYS 55 2HB LYS 55 -4.920 -20.662 -3.632 398 HG2 LYS 55 1HG LYS 55 -6.685 -22.043 -3.022 399 HG3 LYS 55 2HG LYS 55 -6.414 -23.147 -4.373 400 HD2 LYS 55 1HD LYS 55 -4.179 -23.683 -3.275 401 HD3 LYS 55 2HD LYS 55 -4.802 -22.846 -1.851 402 HE2 LYS 55 1HE LYS 55 -6.586 -24.401 -1.619 403 HE3 LYS 55 2HE LYS 55 -6.252 -25.117 -3.195 404 HZ1 LYS 55 1HZ LYS 55 -4.735 -25.396 -0.681 405 HZ2 LYS 55 2HZ LYS 55 -3.982 -25.670 -2.171 406 HZ3 LYS 55 3HZ LYS 55 -5.316 -26.605 -1.713 407 H THR 56 H THR 56 -6.100 -18.823 -4.138 408 HA THR 56 HA THR 56 -4.694 -17.053 -6.027 409 HB THR 56 HB THR 56 -5.955 -15.228 -4.654 410 HG1 THR 56 1HG THR 56 -6.771 -16.845 -3.129 411 HG21 THR 56 1HG2 THR 56 -6.436 -15.500 -6.959 412 HG22 THR 56 2HG2 THR 56 -7.991 -15.565 -6.129 413 HG23 THR 56 3HG2 THR 56 -7.224 -17.053 -6.685 414 H PHE 57 H PHE 57 -3.030 -15.801 -5.331 415 HA PHE 57 HA PHE 57 -2.391 -15.800 -2.467 416 HB2 PHE 57 1HB PHE 57 -0.521 -16.557 -4.715 417 HB3 PHE 57 2HB PHE 57 0.036 -16.126 -3.101 418 HD1 PHE 57 1HD PHE 57 -2.240 -18.481 -4.864 419 HD2 PHE 57 2HD PHE 57 0.246 -17.764 -1.484 420 HE1 PHE 57 1HE PHE 57 -2.560 -20.811 -4.139 421 HE2 PHE 57 2HE PHE 57 -0.069 -20.092 -0.754 422 HZ PHE 57 HZ PHE 57 -1.472 -21.620 -2.082 423 H THR 58 H THR 58 -2.204 -13.777 -1.802 424 HA THR 58 HA THR 58 -2.203 -11.528 -3.431 425 HB THR 58 HB THR 58 -1.443 -10.267 -1.406 426 HG1 THR 58 1HG THR 58 -0.940 -12.884 -0.560 427 HG21 THR 58 1HG2 THR 58 -3.658 -10.269 -1.105 428 HG22 THR 58 2HG2 THR 58 -3.415 -11.611 0.012 429 HG23 THR 58 3HG2 THR 58 -3.804 -11.930 -1.678 430 H ARG 59 H ARG 59 0.491 -13.359 -2.106 431 HA ARG 59 HA ARG 59 2.357 -11.556 -3.497 432 HB2 ARG 59 1HB ARG 59 2.880 -13.485 -1.227 433 HB3 ARG 59 2HB ARG 59 4.097 -12.484 -2.008 434 HG2 ARG 59 1HG ARG 59 2.905 -10.473 -1.260 435 HG3 ARG 59 2HG ARG 59 1.721 -11.497 -0.445 436 HD2 ARG 59 1HD ARG 59 3.470 -12.411 0.980 437 HD3 ARG 59 2HD ARG 59 4.679 -11.440 0.140 438 HE ARG 59 HE ARG 59 4.096 -9.690 1.473 439 HH11 ARG 59 2HH1 ARG 59 1.439 -11.938 1.383 440 HH12 ARG 59 1HH1 ARG 59 0.487 -11.061 2.535 441 HH21 ARG 59 2HH2 ARG 59 2.852 -8.526 2.990 442 HH22 ARG 59 1HH2 ARG 59 1.292 -9.119 3.447 443 H ARG 60 H ARG 60 4.046 -12.452 -4.746 444 HA ARG 60 HA ARG 60 3.289 -14.836 -6.158 445 HB2 ARG 60 1HB ARG 60 4.290 -12.853 -7.278 446 HB3 ARG 60 2HB ARG 60 5.799 -13.174 -6.434 447 HG2 ARG 60 1HG ARG 60 5.556 -15.534 -7.553 448 HG3 ARG 60 2HG ARG 60 4.531 -14.648 -8.683 449 HD2 ARG 60 1HD ARG 60 7.372 -13.934 -7.965 450 HD3 ARG 60 2HD ARG 60 6.871 -14.769 -9.435 451 HE ARG 60 HE ARG 60 5.444 -12.371 -9.257 452 HH11 ARG 60 2HH1 ARG 60 8.710 -13.483 -9.726 453 HH12 ARG 60 1HH1 ARG 60 9.182 -12.107 -10.666 454 HH21 ARG 60 2HH2 ARG 60 6.054 -10.554 -10.493 455 HH22 ARG 60 1HH2 ARG 60 7.671 -10.441 -11.101 456 H ASN 61 H ASN 61 6.260 -13.894 -4.416 457 HA ASN 61 HA ASN 61 7.656 -16.216 -4.450 458 HB2 ASN 61 1HB ASN 61 8.614 -14.325 -3.364 459 HB3 ASN 61 2HB ASN 61 7.307 -14.253 -2.185 460 HD21 ASN 61 1HD2 ASN 61 9.943 -16.316 -3.315 461 HD22 ASN 61 2HD2 ASN 61 10.299 -17.006 -1.771 462 H THR 62 H THR 62 4.968 -15.450 -2.276 463 HA THR 62 HA THR 62 5.092 -17.826 -0.755 464 HB THR 62 HB THR 62 2.637 -16.146 -1.294 465 HG1 THR 62 1HG THR 62 4.603 -15.051 -0.420 466 HG21 THR 62 1HG2 THR 62 2.551 -17.063 1.303 467 HG22 THR 62 2HG2 THR 62 3.210 -18.438 0.417 468 HG23 THR 62 3HG2 THR 62 1.661 -17.742 -0.059 469 H MET 63 H MET 63 3.330 -16.959 -3.695 470 HA MET 63 HA MET 63 1.805 -19.344 -3.849 471 HB2 MET 63 1HB MET 63 1.482 -17.079 -5.078 472 HB3 MET 63 2HB MET 63 2.607 -17.739 -6.257 473 HG2 MET 63 1HG MET 63 0.951 -19.786 -6.178 474 HG3 MET 63 2HG MET 63 -0.175 -18.550 -5.624 475 HE1 MET 63 1HE MET 63 2.829 -18.078 -8.215 476 HE2 MET 63 2HE MET 63 2.225 -19.722 -8.420 477 HE3 MET 63 3HE MET 63 1.985 -18.529 -9.697 478 H ALA 64 H ALA 64 4.786 -18.314 -5.501 479 HA ALA 64 HA ALA 64 5.274 -20.484 -7.092 480 HB1 ALA 64 1HB ALA 64 6.973 -18.487 -5.746 481 HB2 ALA 64 2HB ALA 64 7.788 -19.950 -6.300 482 HB3 ALA 64 3HB ALA 64 6.892 -18.953 -7.445 483 H ARG 65 H ARG 65 6.461 -20.118 -3.745 484 HA ARG 65 HA ARG 65 7.549 -22.680 -3.507 485 HB2 ARG 65 1HB ARG 65 6.443 -20.796 -1.423 486 HB3 ARG 65 2HB ARG 65 7.265 -22.298 -1.023 487 HG2 ARG 65 1HG ARG 65 9.178 -21.343 -2.494 488 HG3 ARG 65 2HG ARG 65 8.371 -19.798 -2.218 489 HD2 ARG 65 1HD ARG 65 8.614 -20.013 0.148 490 HD3 ARG 65 2HD ARG 65 9.182 -21.675 -0.008 491 HE ARG 65 HE ARG 65 10.810 -19.696 -1.344 492 HH11 ARG 65 2HH1 ARG 65 10.247 -21.507 1.576 493 HH12 ARG 65 1HH1 ARG 65 11.869 -21.325 2.157 494 HH21 ARG 65 2HH2 ARG 65 12.949 -19.450 -0.590 495 HH22 ARG 65 1HH2 ARG 65 13.405 -20.154 0.924 496 H HIS 66 H HIS 66 4.310 -21.480 -2.708 497 HA HIS 66 HA HIS 66 3.247 -23.722 -1.498 498 HB2 HIS 66 1HB HIS 66 1.872 -21.832 -1.472 499 HB3 HIS 66 2HB HIS 66 2.037 -21.569 -3.206 500 HD1 HIS 66 1HD HIS 66 0.349 -23.950 -0.788 501 HD2 HIS 66 2HD HIS 66 0.025 -22.626 -4.713 502 HE1 HIS 66 1HE HIS 66 -1.788 -24.949 -1.661 503 H ALA 67 H ALA 67 3.539 -23.006 -4.951 504 HA ALA 67 HA ALA 67 2.084 -25.092 -6.023 505 HB1 ALA 67 1HB ALA 67 3.787 -24.954 -7.933 506 HB2 ALA 67 2HB ALA 67 2.873 -23.498 -7.536 507 HB3 ALA 67 3HB ALA 67 4.541 -23.669 -6.989 508 H ASP 68 H ASP 68 5.543 -25.094 -5.171 509 HA ASP 68 HA ASP 68 6.282 -27.605 -5.918 510 HB2 ASP 68 1HB ASP 68 7.034 -26.064 -3.434 511 HB3 ASP 68 2HB ASP 68 7.814 -27.576 -3.891 512 H ASN 69 H ASN 69 4.968 -26.809 -2.696 513 HA ASN 69 HA ASN 69 4.653 -29.539 -1.955 514 HB2 ASN 69 1HB ASN 69 3.536 -26.989 -0.775 515 HB3 ASN 69 2HB ASN 69 3.319 -28.578 -0.048 516 HD21 ASN 69 1HD2 ASN 69 5.324 -25.882 -0.336 517 HD22 ASN 69 2HD2 ASN 69 6.692 -26.499 0.521 518 H CYS 70 H CYS 70 2.794 -27.378 -3.832 519 HA CYS 70 HA CYS 70 0.250 -28.646 -3.369 520 HB2 CYS 70 1HB CYS 70 0.458 -26.249 -4.002 521 HB3 CYS 70 2HB CYS 70 1.064 -26.747 -5.578 522 H ALA 71 H ALA 71 -0.960 -29.796 -4.978 523 HA ALA 71 HA ALA 71 0.693 -31.107 -7.032 524 HB1 ALA 71 1HB ALA 71 -0.625 -32.317 -4.760 525 HB2 ALA 71 2HB ALA 71 -1.188 -33.007 -6.283 526 HB3 ALA 71 3HB ALA 71 0.532 -33.012 -5.895 527 H GLY 72 H GLY 72 -2.595 -30.352 -5.927 528 HA2 GLY 72 1HA GLY 72 -3.456 -29.411 -8.427 529 HA3 GLY 72 2HA GLY 72 -3.942 -31.093 -8.281 530 HA PRO 73 HA PRO 73 -7.150 -28.274 -6.343 531 HB2 PRO 73 1HB PRO 73 -9.221 -29.090 -7.896 532 HB3 PRO 73 2HB PRO 73 -8.151 -27.757 -8.345 533 HG2 PRO 73 1HG PRO 73 -8.107 -30.608 -9.254 534 HG3 PRO 73 2HG PRO 73 -7.892 -29.127 -10.205 535 HD2 PRO 73 1HD PRO 73 -5.808 -30.655 -9.397 536 HD3 PRO 73 2HD PRO 73 -5.688 -28.893 -9.575 537 H ASP 74 H ASP 74 -8.726 -28.926 -4.883 538 HA ASP 74 HA ASP 74 -8.864 -31.827 -4.417 539 HB2 ASP 74 1HB ASP 74 -9.680 -30.982 -2.083 540 HB3 ASP 74 2HB ASP 74 -7.963 -30.932 -2.474 541 H GLY 75 H GLY 75 -10.867 -28.895 -4.045 542 HA2 GLY 75 1HA GLY 75 -13.029 -29.110 -5.379 543 HA3 GLY 75 2HA GLY 75 -13.244 -30.592 -4.460 544 H VAL 76 H VAL 76 -14.280 -27.536 -4.648 545 HA VAL 76 HA VAL 76 -15.531 -27.561 -2.118 546 HB VAL 76 HB VAL 76 -13.264 -26.949 -1.342 547 HG11 VAL 76 1HG1 VAL 76 -13.638 -24.408 -2.919 548 HG12 VAL 76 2HG1 VAL 76 -12.239 -24.874 -1.950 549 HG13 VAL 76 3HG1 VAL 76 -12.616 -25.750 -3.434 550 HG21 VAL 76 1HG2 VAL 76 -13.996 -25.379 0.181 551 HG22 VAL 76 2HG2 VAL 76 -14.943 -24.499 -1.019 552 HG23 VAL 76 3HG2 VAL 76 -15.523 -26.044 -0.399 553 H GLU 77 H GLU 77 -17.279 -26.258 -2.148 554 HA GLU 77 HA GLU 77 -17.380 -23.854 -3.716 555 HB2 GLU 77 1HB GLU 77 -18.800 -26.342 -4.621 556 HB3 GLU 77 2HB GLU 77 -19.447 -24.750 -4.993 557 HG2 GLU 77 1HG GLU 77 -18.224 -25.094 -6.867 558 HG3 GLU 77 2HG GLU 77 -16.988 -24.342 -5.860 559 H GLY 78 H GLY 78 -19.674 -22.917 -3.661 560 HA2 GLY 78 1HA GLY 78 -21.813 -23.485 -2.243 561 HA3 GLY 78 2HA GLY 78 -20.666 -23.269 -0.929 562 H GLU 79 H GLU 79 -22.930 -21.750 -2.840 563 HA GLU 79 HA GLU 79 -22.255 -19.172 -1.721 564 HB2 GLU 79 1HB GLU 79 -22.260 -17.997 -3.881 565 HB3 GLU 79 2HB GLU 79 -20.926 -19.136 -3.761 566 HG2 GLU 79 1HG GLU 79 -21.783 -20.530 -5.351 567 HG3 GLU 79 2HG GLU 79 -23.449 -20.052 -5.030 568 H ASN 80 H ASN 80 -24.029 -17.939 -1.374 569 HA ASN 80 HA ASN 80 -26.410 -18.037 -2.872 570 HB2 ASN 80 1HB ASN 80 -27.811 -19.061 -0.947 571 HB3 ASN 80 2HB ASN 80 -26.947 -20.151 -2.027 572 HD21 ASN 80 1HD2 ASN 80 -26.721 -21.818 -0.618 573 HD22 ASN 80 2HD2 ASN 80 -25.756 -21.740 0.813 574 H SER 81 H SER 81 -27.428 -16.172 -2.532 575 HA SER 81 HA SER 81 -26.516 -14.225 -0.779 576 HB2 SER 81 1HB SER 81 -28.991 -14.574 -2.408 577 HB3 SER 81 2HB SER 81 -28.976 -13.298 -1.190 578 HG SER 81 HG SER 81 -28.101 -12.281 -2.858 579 H GLY 82 H GLY 82 -29.369 -16.331 -0.453 580 HA2 GLY 82 1HA GLY 82 -30.587 -16.954 1.389 581 HA3 GLY 82 2HA GLY 82 -29.107 -16.704 2.304 582 HA PRO 83 HA PRO 83 -31.350 -12.434 2.401 583 HB2 PRO 83 1HB PRO 83 -33.791 -12.282 1.223 584 HB3 PRO 83 2HB PRO 83 -32.285 -11.953 0.358 585 HG2 PRO 83 1HG PRO 83 -33.948 -14.442 0.386 586 HG3 PRO 83 2HG PRO 83 -33.164 -13.635 -0.985 587 HD2 PRO 83 1HD PRO 83 -32.108 -15.819 0.218 588 HD3 PRO 83 2HD PRO 83 -31.102 -14.547 -0.505 589 H SER 84 H SER 84 -33.098 -11.582 3.745 590 HA SER 84 HA SER 84 -35.075 -13.343 4.830 591 HB2 SER 84 1HB SER 84 -34.235 -13.604 7.045 592 HB3 SER 84 2HB SER 84 -32.919 -14.069 5.967 593 HG SER 84 HG SER 84 -32.151 -12.691 7.584 594 H SER 85 H SER 85 -36.166 -12.267 6.781 595 HA SER 85 HA SER 85 -35.882 -9.389 6.914 596 HB2 SER 85 1HB SER 85 -37.388 -9.966 4.906 597 HB3 SER 85 2HB SER 85 -38.578 -10.469 6.106 598 HG SER 85 HG SER 85 -39.071 -8.441 6.243 599 H GLY 86 H GLY 86 -37.550 -8.448 8.456 600 HA2 GLY 86 1HA GLY 86 -38.503 -8.418 10.544 601 HA3 GLY 86 2HA GLY 86 -38.997 -10.076 10.236 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -9.673 -27.308 11.280 2 HA2 GLY 1 1HA GLY 1 -8.231 -26.140 9.366 3 HA3 GLY 1 2HA GLY 1 -9.813 -26.818 9.006 4 H SER 2 H SER 2 -8.828 -23.895 10.781 5 HA SER 2 HA SER 2 -9.812 -22.161 8.706 6 HB2 SER 2 1HB SER 2 -11.921 -22.837 9.800 7 HB3 SER 2 2HB SER 2 -11.293 -22.267 11.346 8 HG SER 2 HG SER 2 -11.419 -20.557 9.107 9 H SER 3 H SER 3 -8.506 -20.466 8.696 10 HA SER 3 HA SER 3 -7.393 -19.525 11.257 11 HB2 SER 3 1HB SER 3 -5.981 -19.749 8.590 12 HB3 SER 3 2HB SER 3 -5.317 -18.924 10.000 13 HG SER 3 HG SER 3 -5.664 -21.646 9.521 14 H GLY 4 H GLY 4 -6.592 -17.241 11.138 15 HA2 GLY 4 1HA GLY 4 -6.835 -15.018 10.552 16 HA3 GLY 4 2HA GLY 4 -7.631 -15.536 9.074 17 H SER 5 H SER 5 -8.451 -13.328 10.615 18 HA SER 5 HA SER 5 -10.464 -13.771 12.461 19 HB2 SER 5 1HB SER 5 -9.560 -11.539 11.931 20 HB3 SER 5 2HB SER 5 -10.362 -11.590 10.361 21 HG SER 5 HG SER 5 -12.209 -12.119 12.144 22 H SER 6 H SER 6 -12.228 -14.970 12.300 23 HA SER 6 HA SER 6 -13.337 -15.693 9.745 24 HB2 SER 6 1HB SER 6 -14.101 -16.347 12.592 25 HB3 SER 6 2HB SER 6 -15.041 -16.902 11.207 26 HG SER 6 HG SER 6 -13.663 -18.504 11.304 27 H GLY 7 H GLY 7 -15.715 -15.525 9.347 28 HA2 GLY 7 1HA GLY 7 -17.786 -14.358 9.756 29 HA3 GLY 7 2HA GLY 7 -16.855 -13.051 10.471 30 H ARG 8 H ARG 8 -18.338 -14.222 7.661 31 HA ARG 8 HA ARG 8 -17.735 -11.805 6.237 32 HB2 ARG 8 1HB ARG 8 -16.599 -12.729 4.362 33 HB3 ARG 8 2HB ARG 8 -15.742 -13.286 5.792 34 HG2 ARG 8 1HG ARG 8 -16.891 -15.444 5.631 35 HG3 ARG 8 2HG ARG 8 -17.722 -14.881 4.180 36 HD2 ARG 8 1HD ARG 8 -15.701 -14.761 2.956 37 HD3 ARG 8 2HD ARG 8 -14.725 -14.941 4.413 38 HE ARG 8 HE ARG 8 -15.053 -17.220 4.328 39 HH11 ARG 8 2HH1 ARG 8 -17.135 -15.630 2.036 40 HH12 ARG 8 1HH1 ARG 8 -17.601 -17.098 1.243 41 HH21 ARG 8 2HH2 ARG 8 -15.659 -19.160 3.292 42 HH22 ARG 8 1HH2 ARG 8 -16.762 -19.106 1.959 43 H THR 9 H THR 9 -18.657 -12.088 3.860 44 HA THR 9 HA THR 9 -20.794 -11.995 2.928 45 HB THR 9 HB THR 9 -19.483 -14.029 2.076 46 HG1 THR 9 1HG THR 9 -21.199 -14.530 0.780 47 HG21 THR 9 1HG2 THR 9 -21.466 -15.906 2.995 48 HG22 THR 9 2HG2 THR 9 -20.605 -15.198 4.362 49 HG23 THR 9 3HG2 THR 9 -19.708 -16.008 3.078 50 H HIS 10 H HIS 10 -21.167 -11.633 5.638 51 HA HIS 10 HA HIS 10 -23.686 -13.085 6.055 52 HB2 HIS 10 1HB HIS 10 -21.737 -13.957 7.482 53 HB3 HIS 10 2HB HIS 10 -21.844 -12.427 8.346 54 HD1 HIS 10 1HD HIS 10 -22.613 -13.510 10.534 55 HD2 HIS 10 2HD HIS 10 -25.109 -14.311 7.310 56 HE1 HIS 10 1HE HIS 10 -24.687 -14.529 11.526 57 H THR 11 H THR 11 -21.768 -10.507 7.611 58 HA THR 11 HA THR 11 -23.972 -8.639 7.177 59 HB THR 11 HB THR 11 -23.742 -7.845 9.576 60 HG1 THR 11 1HG THR 11 -22.605 -9.026 10.960 61 HG21 THR 11 1HG2 THR 11 -25.244 -9.601 10.464 62 HG22 THR 11 2HG2 THR 11 -24.867 -10.600 9.060 63 HG23 THR 11 3HG2 THR 11 -25.707 -9.064 8.850 64 H GLY 12 H GLY 12 -23.344 -6.380 7.765 65 HA2 GLY 12 1HA GLY 12 -21.515 -4.852 8.301 66 HA3 GLY 12 2HA GLY 12 -20.430 -5.981 7.504 67 H GLU 13 H GLU 13 -21.067 -3.076 7.056 68 HA GLU 13 HA GLU 13 -21.710 -3.299 4.189 69 HB2 GLU 13 1HB GLU 13 -22.466 -1.117 6.134 70 HB3 GLU 13 2HB GLU 13 -22.585 -0.939 4.389 71 HG2 GLU 13 1HG GLU 13 -23.946 -3.190 5.818 72 HG3 GLU 13 2HG GLU 13 -24.686 -1.595 5.693 73 H LYS 14 H LYS 14 -21.015 -1.002 3.161 74 HA LYS 14 HA LYS 14 -18.185 -0.658 3.906 75 HB2 LYS 14 1HB LYS 14 -19.538 -0.373 1.218 76 HB3 LYS 14 2HB LYS 14 -17.862 0.057 1.529 77 HG2 LYS 14 1HG LYS 14 -17.194 -2.130 1.737 78 HG3 LYS 14 2HG LYS 14 -18.805 -2.690 2.194 79 HD2 LYS 14 1HD LYS 14 -19.591 -2.441 -0.065 80 HD3 LYS 14 2HD LYS 14 -18.073 -1.682 -0.554 81 HE2 LYS 14 1HE LYS 14 -18.023 -3.951 -1.292 82 HE3 LYS 14 2HE LYS 14 -16.908 -3.805 0.065 83 HZ1 LYS 14 1HZ LYS 14 -18.167 -5.128 1.358 84 HZ2 LYS 14 2HZ LYS 14 -18.731 -5.720 -0.123 85 HZ3 LYS 14 3HZ LYS 14 -19.633 -4.568 0.726 86 HA PRO 15 HA PRO 15 -19.908 3.411 4.963 87 HB2 PRO 15 1HB PRO 15 -17.877 4.061 6.644 88 HB3 PRO 15 2HB PRO 15 -19.242 3.048 7.131 89 HG2 PRO 15 1HG PRO 15 -16.486 2.236 6.288 90 HG3 PRO 15 2HG PRO 15 -17.477 1.614 7.621 91 HD2 PRO 15 1HD PRO 15 -17.236 0.317 5.256 92 HD3 PRO 15 2HD PRO 15 -18.718 0.257 6.231 93 H TYR 16 H TYR 16 -16.682 2.517 3.888 94 HA TYR 16 HA TYR 16 -15.945 5.212 3.187 95 HB2 TYR 16 1HB TYR 16 -14.617 2.595 2.452 96 HB3 TYR 16 2HB TYR 16 -13.914 4.199 2.274 97 HD1 TYR 16 2HD TYR 16 -15.028 1.680 4.738 98 HD2 TYR 16 1HD TYR 16 -12.877 5.296 4.108 99 HE1 TYR 16 2HE TYR 16 -14.110 1.523 7.014 100 HE2 TYR 16 1HE TYR 16 -11.951 5.149 6.382 101 HH TYR 16 HH TYR 16 -11.511 3.390 8.080 102 H ALA 17 H ALA 17 -17.202 6.081 1.628 103 HA ALA 17 HA ALA 17 -17.611 4.539 -0.843 104 HB1 ALA 17 1HB ALA 17 -19.409 5.997 0.700 105 HB2 ALA 17 2HB ALA 17 -19.107 7.005 -0.716 106 HB3 ALA 17 3HB ALA 17 -19.680 5.349 -0.918 107 H CYS 18 H CYS 18 -16.712 5.181 -2.707 108 HA CYS 18 HA CYS 18 -14.741 7.240 -2.693 109 HB2 CYS 18 1HB CYS 18 -14.671 5.110 -4.063 110 HB3 CYS 18 2HB CYS 18 -15.873 5.845 -5.120 111 H SER 19 H SER 19 -14.676 9.111 -4.053 112 HA SER 19 HA SER 19 -17.305 10.365 -4.308 113 HB2 SER 19 1HB SER 19 -16.084 12.477 -4.453 114 HB3 SER 19 2HB SER 19 -15.543 11.561 -3.047 115 HG SER 19 HG SER 19 -13.767 12.377 -4.182 116 H HIS 20 H HIS 20 -14.340 9.883 -6.211 117 HA HIS 20 HA HIS 20 -15.196 11.046 -8.590 118 HB2 HIS 20 1HB HIS 20 -13.287 8.756 -8.102 119 HB3 HIS 20 2HB HIS 20 -13.519 9.503 -9.680 120 HD1 HIS 20 1HD HIS 20 -13.131 11.212 -6.309 121 HD2 HIS 20 2HD HIS 20 -11.235 10.934 -9.995 122 HE1 HIS 20 1HE HIS 20 -11.238 12.865 -6.217 123 H CYS 21 H CYS 21 -15.559 7.712 -7.443 124 HA CYS 21 HA CYS 21 -17.556 7.292 -9.569 125 HB2 CYS 21 1HB CYS 21 -16.908 4.971 -9.708 126 HB3 CYS 21 2HB CYS 21 -15.471 5.968 -9.910 127 H ASP 22 H ASP 22 -18.917 5.218 -8.922 128 HA ASP 22 HA ASP 22 -20.005 5.815 -6.267 129 HB2 ASP 22 1HB ASP 22 -21.567 5.945 -8.157 130 HB3 ASP 22 2HB ASP 22 -21.215 4.270 -8.571 131 H LYS 23 H LYS 23 -17.705 4.439 -6.055 132 HA LYS 23 HA LYS 23 -18.497 1.638 -5.624 133 HB2 LYS 23 1HB LYS 23 -15.806 2.927 -6.050 134 HB3 LYS 23 2HB LYS 23 -15.972 1.289 -5.431 135 HG2 LYS 23 1HG LYS 23 -17.417 1.964 -7.929 136 HG3 LYS 23 2HG LYS 23 -15.661 1.804 -8.008 137 HD2 LYS 23 1HD LYS 23 -15.903 -0.424 -6.887 138 HD3 LYS 23 2HD LYS 23 -17.651 -0.258 -7.071 139 HE2 LYS 23 1HE LYS 23 -16.916 -1.562 -8.901 140 HE3 LYS 23 2HE LYS 23 -17.233 0.049 -9.543 141 HZ1 LYS 23 1HZ LYS 23 -14.524 -0.762 -8.685 142 HZ2 LYS 23 2HZ LYS 23 -14.969 0.504 -9.714 143 HZ3 LYS 23 3HZ LYS 23 -15.091 -1.098 -10.243 144 H THR 24 H THR 24 -18.178 0.657 -3.643 145 HA THR 24 HA THR 24 -17.407 2.441 -1.426 146 HB THR 24 HB THR 24 -19.032 1.156 -0.005 147 HG1 THR 24 1HG THR 24 -19.156 -0.543 -1.800 148 HG21 THR 24 1HG2 THR 24 -20.870 2.248 -1.955 149 HG22 THR 24 2HG2 THR 24 -19.473 3.301 -1.730 150 HG23 THR 24 3HG2 THR 24 -20.461 2.838 -0.345 151 H PHE 25 H PHE 25 -16.568 1.357 0.479 152 HA PHE 25 HA PHE 25 -15.670 -1.389 0.146 153 HB2 PHE 25 1HB PHE 25 -13.637 0.755 0.753 154 HB3 PHE 25 2HB PHE 25 -13.347 -0.939 0.369 155 HD1 PHE 25 1HD PHE 25 -14.551 2.260 -1.053 156 HD2 PHE 25 2HD PHE 25 -13.022 -1.633 -1.840 157 HE1 PHE 25 1HE PHE 25 -14.277 2.851 -3.425 158 HE2 PHE 25 2HE PHE 25 -12.745 -1.048 -4.214 159 HZ PHE 25 HZ PHE 25 -13.372 1.197 -5.009 160 H ARG 26 H ARG 26 -14.874 -2.339 2.105 161 HA ARG 26 HA ARG 26 -16.225 -1.342 4.428 162 HB2 ARG 26 1HB ARG 26 -15.254 -3.346 5.540 163 HB3 ARG 26 2HB ARG 26 -16.146 -3.723 4.072 164 HG2 ARG 26 1HG ARG 26 -13.726 -3.507 3.005 165 HG3 ARG 26 2HG ARG 26 -13.252 -3.945 4.647 166 HD2 ARG 26 1HD ARG 26 -13.484 -6.038 3.799 167 HD3 ARG 26 2HD ARG 26 -15.158 -5.766 4.279 168 HE ARG 26 HE ARG 26 -15.756 -5.630 2.052 169 HH11 ARG 26 2HH1 ARG 26 -12.290 -5.710 2.370 170 HH12 ARG 26 1HH1 ARG 26 -12.011 -5.977 0.681 171 HH21 ARG 26 2HH2 ARG 26 -15.402 -5.980 -0.174 172 HH22 ARG 26 1HH2 ARG 26 -13.782 -6.129 -0.765 173 H GLN 27 H GLN 27 -12.799 -2.030 3.711 174 HA GLN 27 HA GLN 27 -12.045 -0.259 5.927 175 HB2 GLN 27 1HB GLN 27 -10.614 -2.475 4.487 176 HB3 GLN 27 2HB GLN 27 -9.726 -1.299 5.448 177 HG2 GLN 27 1HG GLN 27 -10.610 -2.045 7.432 178 HG3 GLN 27 2HG GLN 27 -12.043 -2.725 6.662 179 HE21 GLN 27 1HE2 GLN 27 -9.006 -3.370 7.936 180 HE22 GLN 27 2HE2 GLN 27 -8.839 -5.000 7.391 181 H LYS 28 H LYS 28 -10.939 1.592 5.609 182 HA LYS 28 HA LYS 28 -11.043 3.031 3.306 183 HB2 LYS 28 1HB LYS 28 -10.381 3.965 5.483 184 HB3 LYS 28 2HB LYS 28 -8.827 3.153 5.361 185 HG2 LYS 28 1HG LYS 28 -8.150 4.523 3.553 186 HG3 LYS 28 2HG LYS 28 -9.778 5.172 3.348 187 HD2 LYS 28 1HD LYS 28 -9.602 6.558 5.172 188 HD3 LYS 28 2HD LYS 28 -8.413 5.528 5.974 189 HE2 LYS 28 1HE LYS 28 -7.678 6.869 3.414 190 HE3 LYS 28 2HE LYS 28 -7.715 7.822 4.897 191 HZ1 LYS 28 1HZ LYS 28 -6.316 5.771 5.752 192 HZ2 LYS 28 2HZ LYS 28 -5.588 7.089 4.982 193 HZ3 LYS 28 3HZ LYS 28 -5.903 5.671 4.115 194 H GLN 29 H GLN 29 -8.284 1.040 4.354 195 HA GLN 29 HA GLN 29 -6.439 1.459 2.446 196 HB2 GLN 29 1HB GLN 29 -6.054 -0.189 4.145 197 HB3 GLN 29 2HB GLN 29 -7.360 -1.199 3.540 198 HG2 GLN 29 1HG GLN 29 -5.539 -2.297 2.710 199 HG3 GLN 29 2HG GLN 29 -5.931 -1.236 1.358 200 HE21 GLN 29 1HE2 GLN 29 -3.421 -2.478 2.813 201 HE22 GLN 29 2HE2 GLN 29 -2.285 -1.179 2.726 202 H LEU 30 H LEU 30 -9.441 -0.329 2.007 203 HA LEU 30 HA LEU 30 -8.871 -1.271 -0.606 204 HB2 LEU 30 1HB LEU 30 -11.438 -0.866 0.906 205 HB3 LEU 30 2HB LEU 30 -11.391 -1.525 -0.728 206 HG LEU 30 HG LEU 30 -11.618 -3.261 1.005 207 HD11 LEU 30 1HD1 LEU 30 -10.686 -4.027 -1.000 208 HD12 LEU 30 2HD1 LEU 30 -9.594 -4.619 0.251 209 HD13 LEU 30 3HD1 LEU 30 -9.153 -3.206 -0.707 210 HD21 LEU 30 1HD2 LEU 30 -10.162 -1.930 2.650 211 HD22 LEU 30 2HD2 LEU 30 -8.793 -2.673 1.822 212 HD23 LEU 30 3HD2 LEU 30 -9.994 -3.686 2.624 213 H LEU 31 H LEU 31 -10.832 1.463 0.561 214 HA LEU 31 HA LEU 31 -11.419 2.460 -2.029 215 HB2 LEU 31 1HB LEU 31 -12.884 3.098 -0.314 216 HB3 LEU 31 2HB LEU 31 -11.566 3.619 0.734 217 HG LEU 31 HG LEU 31 -11.182 5.554 -0.729 218 HD11 LEU 31 1HD1 LEU 31 -11.827 5.053 -2.863 219 HD12 LEU 31 2HD1 LEU 31 -13.230 5.975 -2.324 220 HD13 LEU 31 3HD1 LEU 31 -13.289 4.213 -2.345 221 HD21 LEU 31 1HD2 LEU 31 -12.848 5.508 1.214 222 HD22 LEU 31 2HD2 LEU 31 -14.100 5.476 -0.029 223 HD23 LEU 31 3HD2 LEU 31 -12.975 6.832 0.056 224 H ASP 32 H ASP 32 -8.681 2.717 0.032 225 HA ASP 32 HA ASP 32 -7.642 5.134 -1.132 226 HB2 ASP 32 1HB ASP 32 -7.157 4.232 1.220 227 HB3 ASP 32 2HB ASP 32 -6.052 3.108 0.433 228 H MET 33 H MET 33 -6.977 1.665 -1.434 229 HA MET 33 HA MET 33 -4.921 2.056 -3.402 230 HB2 MET 33 1HB MET 33 -4.819 -0.345 -3.524 231 HB3 MET 33 2HB MET 33 -4.966 0.119 -1.835 232 HG2 MET 33 1HG MET 33 -6.446 -1.617 -1.947 233 HG3 MET 33 2HG MET 33 -7.511 -0.246 -2.248 234 HE1 MET 33 1HE MET 33 -8.996 -2.027 -2.723 235 HE2 MET 33 2HE MET 33 -9.562 -1.719 -4.365 236 HE3 MET 33 3HE MET 33 -8.830 -3.273 -3.960 237 H HIS 34 H HIS 34 -8.356 1.407 -3.410 238 HA HIS 34 HA HIS 34 -8.697 0.496 -6.018 239 HB2 HIS 34 1HB HIS 34 -10.659 0.336 -4.850 240 HB3 HIS 34 2HB HIS 34 -10.418 1.873 -4.023 241 HD1 HIS 34 1HD HIS 34 -11.775 0.412 -7.197 242 HD2 HIS 34 2HD HIS 34 -11.514 4.096 -5.294 243 HE1 HIS 34 1HE HIS 34 -13.297 1.943 -8.485 244 H PHE 35 H PHE 35 -8.614 3.819 -4.778 245 HA PHE 35 HA PHE 35 -9.128 5.083 -7.248 246 HB2 PHE 35 1HB PHE 35 -9.359 6.198 -5.044 247 HB3 PHE 35 2HB PHE 35 -7.607 6.173 -4.870 248 HD1 PHE 35 2HD PHE 35 -6.305 7.256 -6.905 249 HD2 PHE 35 1HD PHE 35 -10.340 8.105 -5.849 250 HE1 PHE 35 2HE PHE 35 -6.157 9.410 -8.085 251 HE2 PHE 35 1HE PHE 35 -10.199 10.260 -7.028 252 HZ PHE 35 HZ PHE 35 -8.105 10.916 -8.147 253 H LYS 36 H LYS 36 -6.053 4.680 -5.485 254 HA LYS 36 HA LYS 36 -4.420 5.662 -7.558 255 HB2 LYS 36 1HB LYS 36 -3.882 3.920 -5.163 256 HB3 LYS 36 2HB LYS 36 -2.607 4.333 -6.302 257 HG2 LYS 36 1HG LYS 36 -3.491 6.784 -5.838 258 HG3 LYS 36 2HG LYS 36 -4.020 6.036 -4.329 259 HD2 LYS 36 1HD LYS 36 -1.851 6.898 -3.923 260 HD3 LYS 36 2HD LYS 36 -1.665 5.150 -4.089 261 HE2 LYS 36 1HE LYS 36 -1.244 5.776 -6.612 262 HE3 LYS 36 2HE LYS 36 -0.818 7.341 -5.922 263 HZ1 LYS 36 1HZ LYS 36 1.116 6.544 -5.226 264 HZ2 LYS 36 2HZ LYS 36 0.809 5.142 -6.122 265 HZ3 LYS 36 3HZ LYS 36 0.394 5.206 -4.483 266 H ARG 37 H ARG 37 -6.225 2.867 -7.435 267 HA ARG 37 HA ARG 37 -4.381 1.315 -9.095 268 HB2 ARG 37 1HB ARG 37 -5.381 0.027 -7.354 269 HB3 ARG 37 2HB ARG 37 -6.987 0.631 -7.739 270 HG2 ARG 37 1HG ARG 37 -7.131 -0.668 -9.686 271 HG3 ARG 37 2HG ARG 37 -5.397 -0.997 -9.692 272 HD2 ARG 37 1HD ARG 37 -5.557 -2.604 -8.072 273 HD3 ARG 37 2HD ARG 37 -6.978 -1.868 -7.332 274 HE ARG 37 HE ARG 37 -8.261 -3.236 -8.618 275 HH11 ARG 37 2HH1 ARG 37 -5.161 -2.873 -10.160 276 HH12 ARG 37 1HH1 ARG 37 -5.520 -3.986 -11.438 277 HH21 ARG 37 2HH2 ARG 37 -8.746 -4.704 -10.295 278 HH22 ARG 37 1HH2 ARG 37 -7.560 -5.027 -11.514 279 H TYR 38 H TYR 38 -7.863 2.106 -9.174 280 HA TYR 38 HA TYR 38 -8.014 1.649 -11.999 281 HB2 TYR 38 1HB TYR 38 -9.951 2.678 -9.939 282 HB3 TYR 38 2HB TYR 38 -10.350 2.686 -11.654 283 HD1 TYR 38 1HD TYR 38 -9.131 0.372 -8.988 284 HD2 TYR 38 2HD TYR 38 -11.377 0.825 -12.573 285 HE1 TYR 38 1HE TYR 38 -9.856 -1.973 -8.824 286 HE2 TYR 38 2HE TYR 38 -12.109 -1.518 -12.418 287 HH TYR 38 HH TYR 38 -11.768 -3.371 -9.639 288 H HIS 39 H HIS 39 -8.813 4.572 -10.117 289 HA HIS 39 HA HIS 39 -8.783 6.346 -12.257 290 HB2 HIS 39 1HB HIS 39 -8.130 6.886 -9.353 291 HB3 HIS 39 2HB HIS 39 -8.498 8.123 -10.552 292 HD1 HIS 39 1HD HIS 39 -10.976 7.204 -11.868 293 HD2 HIS 39 2HD HIS 39 -10.320 6.619 -7.807 294 HE1 HIS 39 1HE HIS 39 -13.258 6.905 -10.854 295 H ASP 40 H ASP 40 -6.174 4.826 -10.644 296 HA ASP 40 HA ASP 40 -4.283 6.434 -12.214 297 HB2 ASP 40 1HB ASP 40 -4.397 7.000 -9.677 298 HB3 ASP 40 2HB ASP 40 -3.545 5.473 -9.467 299 HA PRO 41 HA PRO 41 -3.270 2.264 -13.465 300 HB2 PRO 41 1HB PRO 41 -1.480 3.000 -15.369 301 HB3 PRO 41 2HB PRO 41 -3.229 3.073 -15.615 302 HG2 PRO 41 1HG PRO 41 -1.325 5.267 -14.893 303 HG3 PRO 41 2HG PRO 41 -2.666 5.286 -16.053 304 HD2 PRO 41 1HD PRO 41 -2.874 6.342 -13.568 305 HD3 PRO 41 2HD PRO 41 -4.250 5.598 -14.408 306 H ASN 42 H ASN 42 -1.543 4.392 -11.644 307 HA ASN 42 HA ASN 42 1.095 3.350 -11.868 308 HB2 ASN 42 1HB ASN 42 -0.293 4.995 -9.752 309 HB3 ASN 42 2HB ASN 42 1.391 4.499 -9.609 310 HD21 ASN 42 1HD2 ASN 42 2.443 4.824 -12.008 311 HD22 ASN 42 2HD2 ASN 42 2.322 6.463 -12.541 312 H PHE 43 H PHE 43 -1.201 3.084 -9.148 313 HA PHE 43 HA PHE 43 0.149 1.009 -7.847 314 HB2 PHE 43 1HB PHE 43 -1.670 2.501 -6.898 315 HB3 PHE 43 2HB PHE 43 -2.832 1.471 -7.727 316 HD1 PHE 43 1HD PHE 43 -2.436 -1.134 -7.259 317 HD2 PHE 43 2HD PHE 43 -1.258 2.051 -4.693 318 HE1 PHE 43 1HE PHE 43 -2.430 -2.682 -5.346 319 HE2 PHE 43 2HE PHE 43 -1.249 0.508 -2.777 320 HZ PHE 43 HZ PHE 43 -1.834 -1.861 -3.102 321 H VAL 44 H VAL 44 0.047 -1.184 -7.943 322 HA VAL 44 HA VAL 44 -1.907 -2.475 -9.675 323 HB VAL 44 HB VAL 44 -0.142 -2.036 -11.253 324 HG11 VAL 44 1HG1 VAL 44 2.131 -2.558 -10.934 325 HG12 VAL 44 2HG1 VAL 44 1.619 -1.777 -9.436 326 HG13 VAL 44 3HG1 VAL 44 1.790 -3.531 -9.503 327 HG21 VAL 44 1HG2 VAL 44 -0.862 -4.710 -10.416 328 HG22 VAL 44 2HG2 VAL 44 -0.709 -4.042 -12.041 329 HG23 VAL 44 3HG2 VAL 44 0.711 -4.680 -11.212 330 HA PRO 45 HA PRO 45 -1.481 -5.125 -6.078 331 HB2 PRO 45 1HB PRO 45 -3.656 -6.646 -6.649 332 HB3 PRO 45 2HB PRO 45 -3.771 -5.044 -5.912 333 HG2 PRO 45 1HG PRO 45 -4.138 -5.843 -8.774 334 HG3 PRO 45 2HG PRO 45 -5.099 -4.721 -7.794 335 HD2 PRO 45 1HD PRO 45 -3.234 -3.877 -9.566 336 HD3 PRO 45 2HD PRO 45 -3.596 -2.995 -8.068 337 H ALA 46 H ALA 46 -0.339 -6.953 -5.859 338 HA ALA 46 HA ALA 46 0.565 -8.374 -8.171 339 HB1 ALA 46 1HB ALA 46 1.362 -9.887 -6.029 340 HB2 ALA 46 2HB ALA 46 2.266 -8.545 -6.732 341 HB3 ALA 46 3HB ALA 46 1.228 -8.272 -5.333 342 H ALA 47 H ALA 47 -0.758 -9.729 -9.202 343 HA ALA 47 HA ALA 47 -2.463 -11.518 -7.598 344 HB1 ALA 47 1HB ALA 47 -2.855 -10.806 -10.497 345 HB2 ALA 47 2HB ALA 47 -3.985 -11.632 -9.424 346 HB3 ALA 47 3HB ALA 47 -3.608 -9.929 -9.165 347 H PHE 48 H PHE 48 -1.420 -13.394 -7.337 348 HA PHE 48 HA PHE 48 -0.287 -14.675 -9.736 349 HB2 PHE 48 1HB PHE 48 0.777 -14.796 -6.906 350 HB3 PHE 48 2HB PHE 48 1.385 -15.758 -8.249 351 HD1 PHE 48 2HD PHE 48 0.961 -12.287 -7.036 352 HD2 PHE 48 1HD PHE 48 2.984 -14.895 -9.723 353 HE1 PHE 48 2HE PHE 48 2.508 -10.469 -7.630 354 HE2 PHE 48 1HE PHE 48 4.535 -13.081 -10.321 355 HZ PHE 48 HZ PHE 48 4.297 -10.864 -9.276 356 H VAL 49 H VAL 49 -1.757 -16.170 -10.268 357 HA VAL 49 HA VAL 49 -3.059 -17.732 -8.163 358 HB VAL 49 HB VAL 49 -3.628 -17.444 -11.109 359 HG11 VAL 49 1HG1 VAL 49 -3.932 -19.797 -10.321 360 HG12 VAL 49 2HG1 VAL 49 -5.127 -19.197 -9.171 361 HG13 VAL 49 3HG1 VAL 49 -5.406 -19.025 -10.904 362 HG21 VAL 49 1HG2 VAL 49 -5.780 -16.568 -10.300 363 HG22 VAL 49 2HG2 VAL 49 -5.218 -16.755 -8.639 364 HG23 VAL 49 3HG2 VAL 49 -4.414 -15.616 -9.718 365 H CYS 50 H CYS 50 -2.693 -19.854 -7.834 366 HA CYS 50 HA CYS 50 -0.349 -21.080 -8.620 367 HB2 CYS 50 1HB CYS 50 -2.153 -21.713 -6.803 368 HB3 CYS 50 2HB CYS 50 -2.753 -22.774 -8.074 369 H SER 51 H SER 51 -0.419 -23.369 -9.747 370 HA SER 51 HA SER 51 -1.893 -23.101 -12.282 371 HB2 SER 51 1HB SER 51 0.333 -22.500 -12.847 372 HB3 SER 51 2HB SER 51 1.014 -23.790 -11.856 373 HG SER 51 HG SER 51 -0.714 -24.591 -13.865 374 H LYS 52 H LYS 52 -0.838 -25.082 -9.687 375 HA LYS 52 HA LYS 52 -1.415 -27.592 -10.993 376 HB2 LYS 52 1HB LYS 52 -0.827 -26.928 -8.103 377 HB3 LYS 52 2HB LYS 52 -1.016 -28.559 -8.733 378 HG2 LYS 52 1HG LYS 52 0.953 -28.414 -10.004 379 HG3 LYS 52 2HG LYS 52 1.037 -26.660 -9.820 380 HD2 LYS 52 1HD LYS 52 1.861 -26.788 -7.682 381 HD3 LYS 52 2HD LYS 52 1.104 -28.352 -7.369 382 HE2 LYS 52 1HE LYS 52 3.297 -28.985 -7.555 383 HE3 LYS 52 2HE LYS 52 2.775 -29.164 -9.229 384 HZ1 LYS 52 1HZ LYS 52 4.179 -26.800 -8.105 385 HZ2 LYS 52 2HZ LYS 52 3.691 -26.985 -9.714 386 HZ3 LYS 52 3HZ LYS 52 4.885 -27.997 -9.071 387 H CYS 53 H CYS 53 -2.914 -25.589 -8.474 388 HA CYS 53 HA CYS 53 -5.359 -27.208 -8.735 389 HB2 CYS 53 1HB CYS 53 -5.995 -26.352 -6.530 390 HB3 CYS 53 2HB CYS 53 -4.423 -27.141 -6.465 391 H GLY 54 H GLY 54 -4.220 -23.856 -8.383 392 HA2 GLY 54 1HA GLY 54 -5.088 -22.228 -10.005 393 HA3 GLY 54 2HA GLY 54 -6.655 -23.004 -9.824 394 H LYS 55 H LYS 55 -4.634 -22.475 -7.050 395 HA LYS 55 HA LYS 55 -6.667 -20.876 -5.806 396 HB2 LYS 55 1HB LYS 55 -4.076 -22.082 -4.985 397 HB3 LYS 55 2HB LYS 55 -4.646 -20.700 -4.058 398 HG2 LYS 55 1HG LYS 55 -6.639 -21.831 -3.437 399 HG3 LYS 55 2HG LYS 55 -6.323 -23.142 -4.576 400 HD2 LYS 55 1HD LYS 55 -4.401 -23.847 -3.292 401 HD3 LYS 55 2HD LYS 55 -4.583 -22.470 -2.203 402 HE2 LYS 55 1HE LYS 55 -5.514 -24.313 -1.066 403 HE3 LYS 55 2HE LYS 55 -6.884 -23.378 -1.662 404 HZ1 LYS 55 1HZ LYS 55 -7.595 -25.258 -2.571 405 HZ2 LYS 55 2HZ LYS 55 -6.142 -26.064 -2.252 406 HZ3 LYS 55 3HZ LYS 55 -6.311 -25.155 -3.669 407 H THR 56 H THR 56 -6.101 -18.807 -4.688 408 HA THR 56 HA THR 56 -4.506 -17.119 -6.499 409 HB THR 56 HB THR 56 -5.857 -15.224 -5.421 410 HG1 THR 56 1HG THR 56 -6.944 -16.057 -3.758 411 HG21 THR 56 1HG2 THR 56 -6.728 -17.215 -7.416 412 HG22 THR 56 2HG2 THR 56 -6.562 -15.465 -7.557 413 HG23 THR 56 3HG2 THR 56 -7.991 -16.157 -6.791 414 H PHE 57 H PHE 57 -2.895 -15.852 -5.720 415 HA PHE 57 HA PHE 57 -2.472 -15.798 -2.811 416 HB2 PHE 57 1HB PHE 57 -0.390 -16.377 -4.927 417 HB3 PHE 57 2HB PHE 57 -0.023 -16.054 -3.235 418 HD1 PHE 57 1HD PHE 57 -1.781 -18.391 -5.502 419 HD2 PHE 57 2HD PHE 57 -0.138 -17.755 -1.628 420 HE1 PHE 57 1HE PHE 57 -2.077 -20.779 -4.988 421 HE2 PHE 57 2HE PHE 57 -0.430 -20.142 -1.108 422 HZ PHE 57 HZ PHE 57 -1.400 -21.657 -2.790 423 H THR 58 H THR 58 -1.534 -13.943 -1.984 424 HA THR 58 HA THR 58 -1.906 -11.568 -3.530 425 HB THR 58 HB THR 58 -0.616 -11.867 -0.811 426 HG1 THR 58 1HG THR 58 -2.876 -12.602 -1.073 427 HG21 THR 58 1HG2 THR 58 -1.582 -9.506 -2.395 428 HG22 THR 58 2HG2 THR 58 -0.039 -9.731 -1.570 429 HG23 THR 58 3HG2 THR 58 -1.508 -9.457 -0.634 430 H ARG 59 H ARG 59 0.917 -13.306 -2.277 431 HA ARG 59 HA ARG 59 2.642 -11.543 -3.882 432 HB2 ARG 59 1HB ARG 59 3.374 -13.323 -1.549 433 HB3 ARG 59 2HB ARG 59 4.484 -12.284 -2.433 434 HG2 ARG 59 1HG ARG 59 3.314 -10.316 -1.671 435 HG3 ARG 59 2HG ARG 59 2.098 -11.316 -0.873 436 HD2 ARG 59 1HD ARG 59 3.665 -10.524 0.772 437 HD3 ARG 59 2HD ARG 59 3.883 -12.261 0.560 438 HE ARG 59 HE ARG 59 6.020 -11.840 -0.102 439 HH11 ARG 59 2HH1 ARG 59 4.133 -8.953 -0.575 440 HH12 ARG 59 1HH1 ARG 59 5.487 -7.993 -1.072 441 HH21 ARG 59 2HH2 ARG 59 7.810 -10.586 -0.753 442 HH22 ARG 59 1HH2 ARG 59 7.578 -8.923 -1.174 443 H ARG 60 H ARG 60 4.444 -12.526 -5.008 444 HA ARG 60 HA ARG 60 3.651 -14.898 -6.403 445 HB2 ARG 60 1HB ARG 60 4.834 -12.994 -7.486 446 HB3 ARG 60 2HB ARG 60 6.270 -13.396 -6.553 447 HG2 ARG 60 1HG ARG 60 5.880 -15.765 -7.670 448 HG3 ARG 60 2HG ARG 60 5.070 -14.775 -8.885 449 HD2 ARG 60 1HD ARG 60 7.858 -14.240 -7.881 450 HD3 ARG 60 2HD ARG 60 7.506 -15.212 -9.309 451 HE ARG 60 HE ARG 60 7.193 -12.326 -9.036 452 HH11 ARG 60 2HH1 ARG 60 6.768 -15.198 -10.958 453 HH12 ARG 60 1HH1 ARG 60 6.571 -14.331 -12.445 454 HH21 ARG 60 2HH2 ARG 60 6.935 -11.174 -10.988 455 HH22 ARG 60 1HH2 ARG 60 6.667 -12.042 -12.461 456 H ASN 61 H ASN 61 6.558 -14.098 -4.490 457 HA ASN 61 HA ASN 61 7.808 -16.506 -4.411 458 HB2 ASN 61 1HB ASN 61 7.457 -14.539 -2.140 459 HB3 ASN 61 2HB ASN 61 8.606 -15.874 -2.115 460 HD21 ASN 61 1HD2 ASN 61 9.978 -15.939 -4.212 461 HD22 ASN 61 2HD2 ASN 61 10.677 -14.427 -4.669 462 H THR 62 H THR 62 5.211 -15.484 -2.204 463 HA THR 62 HA THR 62 5.053 -17.791 -0.664 464 HB THR 62 HB THR 62 2.742 -16.015 -1.472 465 HG1 THR 62 1HG THR 62 3.393 -15.229 0.812 466 HG21 THR 62 1HG2 THR 62 1.555 -16.866 0.347 467 HG22 THR 62 2HG2 THR 62 3.002 -17.532 1.103 468 HG23 THR 62 3HG2 THR 62 2.325 -18.299 -0.334 469 H MET 63 H MET 63 3.499 -17.026 -3.750 470 HA MET 63 HA MET 63 1.942 -19.398 -3.874 471 HB2 MET 63 1HB MET 63 1.466 -17.320 -5.170 472 HB3 MET 63 2HB MET 63 2.877 -17.661 -6.164 473 HG2 MET 63 1HG MET 63 0.802 -19.767 -5.905 474 HG3 MET 63 2HG MET 63 0.449 -18.358 -6.904 475 HE1 MET 63 1HE MET 63 1.705 -18.886 -10.028 476 HE2 MET 63 2HE MET 63 1.248 -17.720 -8.786 477 HE3 MET 63 3HE MET 63 2.944 -17.916 -9.230 478 H ALA 64 H ALA 64 4.982 -18.448 -5.468 479 HA ALA 64 HA ALA 64 5.505 -20.701 -6.935 480 HB1 ALA 64 1HB ALA 64 7.891 -20.158 -6.699 481 HB2 ALA 64 2HB ALA 64 6.912 -18.729 -7.031 482 HB3 ALA 64 3HB ALA 64 7.495 -19.038 -5.395 483 H ARG 65 H ARG 65 6.260 -20.169 -3.504 484 HA ARG 65 HA ARG 65 7.513 -22.665 -3.084 485 HB2 ARG 65 1HB ARG 65 6.118 -20.830 -1.127 486 HB3 ARG 65 2HB ARG 65 7.124 -22.200 -0.674 487 HG2 ARG 65 1HG ARG 65 9.069 -21.148 -1.271 488 HG3 ARG 65 2HG ARG 65 8.269 -20.101 -2.445 489 HD2 ARG 65 1HD ARG 65 7.425 -18.687 -0.766 490 HD3 ARG 65 2HD ARG 65 7.763 -19.861 0.505 491 HE ARG 65 HE ARG 65 9.621 -17.993 -0.684 492 HH11 ARG 65 2HH1 ARG 65 9.214 -20.890 1.203 493 HH12 ARG 65 1HH1 ARG 65 10.775 -20.782 1.945 494 HH21 ARG 65 2HH2 ARG 65 11.680 -17.840 0.286 495 HH22 ARG 65 1HH2 ARG 65 12.177 -19.047 1.423 496 H HIS 66 H HIS 66 4.183 -21.558 -2.543 497 HA HIS 66 HA HIS 66 3.133 -23.835 -1.368 498 HB2 HIS 66 1HB HIS 66 1.677 -22.022 -1.392 499 HB3 HIS 66 2HB HIS 66 1.961 -21.686 -3.098 500 HD1 HIS 66 1HD HIS 66 0.118 -24.125 -0.874 501 HD2 HIS 66 2HD HIS 66 0.159 -22.825 -4.819 502 HE1 HIS 66 1HE HIS 66 -1.901 -25.172 -1.947 503 H ALA 67 H ALA 67 3.475 -23.075 -4.816 504 HA ALA 67 HA ALA 67 2.165 -25.172 -5.981 505 HB1 ALA 67 1HB ALA 67 4.570 -24.900 -7.427 506 HB2 ALA 67 2HB ALA 67 3.004 -24.164 -7.768 507 HB3 ALA 67 3HB ALA 67 4.180 -23.310 -6.769 508 H ASP 68 H ASP 68 5.567 -25.190 -4.916 509 HA ASP 68 HA ASP 68 6.349 -27.697 -5.604 510 HB2 ASP 68 1HB ASP 68 6.906 -26.282 -2.990 511 HB3 ASP 68 2HB ASP 68 7.795 -27.685 -3.575 512 H ASN 69 H ASN 69 4.803 -26.921 -2.482 513 HA ASN 69 HA ASN 69 4.416 -29.663 -1.804 514 HB2 ASN 69 1HB ASN 69 3.307 -27.101 -0.650 515 HB3 ASN 69 2HB ASN 69 2.947 -28.691 0.017 516 HD21 ASN 69 1HD2 ASN 69 4.658 -26.139 0.682 517 HD22 ASN 69 2HD2 ASN 69 6.092 -26.835 1.349 518 H CYS 70 H CYS 70 2.730 -27.469 -3.785 519 HA CYS 70 HA CYS 70 0.126 -28.657 -3.486 520 HB2 CYS 70 1HB CYS 70 0.511 -26.270 -4.161 521 HB3 CYS 70 2HB CYS 70 1.118 -26.859 -5.705 522 H ALA 71 H ALA 71 -0.986 -29.881 -5.068 523 HA ALA 71 HA ALA 71 0.737 -31.228 -7.040 524 HB1 ALA 71 1HB ALA 71 0.364 -32.659 -5.051 525 HB2 ALA 71 2HB ALA 71 -1.369 -32.601 -5.378 526 HB3 ALA 71 3HB ALA 71 -0.277 -33.350 -6.542 527 H GLY 72 H GLY 72 -2.574 -30.411 -6.073 528 HA2 GLY 72 1HA GLY 72 -3.313 -29.639 -8.697 529 HA3 GLY 72 2HA GLY 72 -3.925 -31.251 -8.357 530 HA PRO 73 HA PRO 73 -6.984 -28.052 -6.869 531 HB2 PRO 73 1HB PRO 73 -9.108 -29.073 -8.218 532 HB3 PRO 73 2HB PRO 73 -8.005 -27.883 -8.921 533 HG2 PRO 73 1HG PRO 73 -8.066 -30.854 -9.282 534 HG3 PRO 73 2HG PRO 73 -7.822 -29.584 -10.495 535 HD2 PRO 73 1HD PRO 73 -5.772 -31.004 -9.441 536 HD3 PRO 73 2HD PRO 73 -5.600 -29.311 -9.947 537 H ASP 74 H ASP 74 -9.034 -28.486 -5.688 538 HA ASP 74 HA ASP 74 -9.482 -31.217 -4.823 539 HB2 ASP 74 1HB ASP 74 -8.341 -29.092 -3.030 540 HB3 ASP 74 2HB ASP 74 -9.344 -30.380 -2.369 541 H GLY 75 H GLY 75 -11.611 -31.417 -5.004 542 HA2 GLY 75 1HA GLY 75 -13.835 -31.058 -4.413 543 HA3 GLY 75 2HA GLY 75 -13.355 -29.571 -3.609 544 H VAL 76 H VAL 76 -15.242 -28.611 -4.582 545 HA VAL 76 HA VAL 76 -14.622 -27.481 -7.188 546 HB VAL 76 HB VAL 76 -15.962 -29.474 -7.734 547 HG11 VAL 76 1HG1 VAL 76 -17.342 -28.895 -5.429 548 HG12 VAL 76 2HG1 VAL 76 -18.479 -28.434 -6.698 549 HG13 VAL 76 3HG1 VAL 76 -17.824 -30.071 -6.652 550 HG21 VAL 76 1HG2 VAL 76 -16.279 -26.925 -8.680 551 HG22 VAL 76 2HG2 VAL 76 -16.960 -28.377 -9.414 552 HG23 VAL 76 3HG2 VAL 76 -17.938 -27.402 -8.318 553 H GLU 77 H GLU 77 -14.941 -25.365 -7.071 554 HA GLU 77 HA GLU 77 -16.314 -24.184 -4.856 555 HB2 GLU 77 1HB GLU 77 -15.713 -22.047 -5.887 556 HB3 GLU 77 2HB GLU 77 -14.330 -23.131 -5.824 557 HG2 GLU 77 1HG GLU 77 -14.828 -23.736 -8.210 558 HG3 GLU 77 2HG GLU 77 -16.003 -22.422 -8.217 559 H GLY 78 H GLY 78 -17.808 -22.197 -5.476 560 HA2 GLY 78 1HA GLY 78 -19.466 -21.713 -7.396 561 HA3 GLY 78 2HA GLY 78 -19.991 -23.358 -7.070 562 H GLU 79 H GLU 79 -20.078 -23.544 -4.400 563 HA GLU 79 HA GLU 79 -22.464 -22.632 -3.590 564 HB2 GLU 79 1HB GLU 79 -21.676 -22.745 -1.260 565 HB3 GLU 79 2HB GLU 79 -21.112 -24.111 -2.212 566 HG2 GLU 79 1HG GLU 79 -19.473 -21.671 -1.566 567 HG3 GLU 79 2HG GLU 79 -19.397 -23.203 -0.698 568 H ASN 80 H ASN 80 -19.439 -20.801 -3.285 569 HA ASN 80 HA ASN 80 -20.285 -18.588 -1.915 570 HB2 ASN 80 1HB ASN 80 -17.954 -19.049 -2.751 571 HB3 ASN 80 2HB ASN 80 -18.470 -18.464 -4.330 572 HD21 ASN 80 1HD2 ASN 80 -17.673 -17.611 -1.076 573 HD22 ASN 80 2HD2 ASN 80 -17.631 -15.900 -1.313 574 H SER 81 H SER 81 -22.059 -17.419 -2.216 575 HA SER 81 HA SER 81 -23.573 -17.272 -4.543 576 HB2 SER 81 1HB SER 81 -24.295 -16.633 -2.200 577 HB3 SER 81 2HB SER 81 -23.455 -15.101 -2.443 578 HG SER 81 HG SER 81 -25.760 -16.091 -3.708 579 H GLY 82 H GLY 82 -23.794 -15.732 -6.171 580 HA2 GLY 82 1HA GLY 82 -22.397 -13.323 -6.379 581 HA3 GLY 82 2HA GLY 82 -21.400 -14.569 -7.114 582 HA PRO 83 HA PRO 83 -25.144 -13.122 -9.819 583 HB2 PRO 83 1HB PRO 83 -24.253 -10.790 -10.885 584 HB3 PRO 83 2HB PRO 83 -25.232 -10.862 -9.415 585 HG2 PRO 83 1HG PRO 83 -22.268 -10.562 -9.704 586 HG3 PRO 83 2HG PRO 83 -23.377 -9.714 -8.610 587 HD2 PRO 83 1HD PRO 83 -21.836 -11.788 -7.801 588 HD3 PRO 83 2HD PRO 83 -23.440 -11.465 -7.113 589 H SER 84 H SER 84 -21.739 -12.285 -10.484 590 HA SER 84 HA SER 84 -21.416 -14.282 -12.454 591 HB2 SER 84 1HB SER 84 -21.244 -12.840 -14.456 592 HB3 SER 84 2HB SER 84 -22.878 -12.850 -13.793 593 HG SER 84 HG SER 84 -22.104 -10.871 -12.627 594 H SER 85 H SER 85 -19.365 -14.777 -12.099 595 HA SER 85 HA SER 85 -17.300 -12.786 -12.393 596 HB2 SER 85 1HB SER 85 -18.005 -13.944 -9.730 597 HB3 SER 85 2HB SER 85 -16.303 -13.670 -10.104 598 HG SER 85 HG SER 85 -16.888 -11.480 -10.590 599 H GLY 86 H GLY 86 -15.116 -13.759 -12.330 600 HA2 GLY 86 1HA GLY 86 -14.985 -16.658 -12.503 601 HA3 GLY 86 2HA GLY 86 -14.686 -15.798 -14.007
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