NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
544476 | 2ltm | 18489 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 -14.641 -22.295 6.485 2 H2 MET 1 2H MET 1 -13.717 -23.408 7.359 3 H3 MET 1 3H MET 1 -13.082 -21.887 6.990 4 HA MET 1 HA MET 1 -15.438 -22.378 8.704 5 HB2 MET 1 2HB MET 1 -12.571 -21.674 9.483 6 HB3 MET 1 3HB MET 1 -13.933 -21.693 10.601 7 HG2 MET 1 2HG MET 1 -12.807 -24.077 9.111 8 HG3 MET 1 3HG MET 1 -12.648 -23.739 10.838 9 HE1 MET 1 3HE MET 1 -13.756 -26.529 9.614 10 HE2 MET 1 1HE MET 1 -15.138 -26.845 10.663 11 HE3 MET 1 2HE MET 1 -13.627 -26.261 11.354 12 H GLY 2 H GLY 2 -16.510 -20.550 9.376 13 HA2 GLY 2 2HA GLY 2 -16.421 -18.256 7.721 14 HA3 GLY 2 3HA GLY 2 -17.365 -18.430 9.194 15 H HIS 3 H HIS 3 -15.744 -18.544 11.204 16 HA HIS 3 HA HIS 3 -14.507 -15.948 11.395 17 HB2 HIS 3 2HB HIS 3 -14.674 -18.256 13.380 18 HB3 HIS 3 3HB HIS 3 -14.015 -16.669 13.765 19 HD1 HIS 3 HD1 HIS 3 -16.651 -18.168 14.965 20 HD2 HIS 3 HD2 HIS 3 -16.529 -14.904 12.391 21 HE1 HIS 3 HE1 HIS 3 -18.808 -16.933 15.343 22 HE2 HIS 3 HE2 HIS 3 -18.618 -14.881 13.910 23 H HIS 4 H HIS 4 -12.312 -15.521 11.862 24 HA HIS 4 HA HIS 4 -10.417 -17.450 10.670 25 HB2 HIS 4 2HB HIS 4 -10.152 -14.442 11.132 26 HB3 HIS 4 3HB HIS 4 -8.937 -15.457 10.354 27 HD1 HIS 4 HD1 HIS 4 -11.150 -13.052 9.320 28 HD2 HIS 4 HD2 HIS 4 -10.621 -16.989 8.102 29 HE1 HIS 4 HE1 HIS 4 -12.147 -13.188 7.023 30 HE2 HIS 4 HE2 HIS 4 -11.951 -15.606 6.374 31 H HIS 5 H HIS 5 -8.286 -17.637 11.587 32 HA HIS 5 HA HIS 5 -8.252 -17.787 14.503 33 HB2 HIS 5 2HB HIS 5 -6.135 -18.602 12.445 34 HB3 HIS 5 3HB HIS 5 -6.035 -18.903 14.177 35 HD1 HIS 5 HD1 HIS 5 -6.669 -21.225 14.767 36 HD2 HIS 5 HD2 HIS 5 -8.739 -19.904 11.418 37 HE1 HIS 5 HE1 HIS 5 -8.031 -23.187 13.991 38 HE2 HIS 5 HE2 HIS 5 -9.411 -22.298 12.088 39 H HIS 6 H HIS 6 -8.522 -15.427 14.580 40 HA HIS 6 HA HIS 6 -6.504 -13.623 13.593 41 HB2 HIS 6 2HB HIS 6 -8.876 -13.016 13.531 42 HB3 HIS 6 3HB HIS 6 -8.999 -13.170 15.279 43 HD1 HIS 6 HD1 HIS 6 -8.347 -11.151 16.673 44 HD2 HIS 6 HD2 HIS 6 -7.397 -10.683 12.651 45 HE1 HIS 6 HE1 HIS 6 -7.700 -8.744 16.408 46 HE2 HIS 6 HE2 HIS 6 -7.040 -8.501 13.997 47 H HIS 7 H HIS 7 -7.076 -15.289 16.550 48 HA HIS 7 HA HIS 7 -6.028 -13.642 18.522 49 HB2 HIS 7 2HB HIS 7 -7.179 -15.751 19.026 50 HB3 HIS 7 3HB HIS 7 -5.869 -16.675 18.302 51 HD1 HIS 7 HD1 HIS 7 -3.990 -17.346 19.819 52 HD2 HIS 7 HD2 HIS 7 -6.382 -14.397 21.517 53 HE1 HIS 7 HE1 HIS 7 -3.179 -17.095 22.179 54 HE2 HIS 7 HE2 HIS 7 -4.510 -15.179 23.121 55 H HIS 8 H HIS 8 -4.322 -15.596 16.155 56 HA HIS 8 HA HIS 8 -1.976 -13.944 16.463 57 HB2 HIS 8 2HB HIS 8 -1.541 -15.792 18.120 58 HB3 HIS 8 3HB HIS 8 -1.681 -16.970 16.818 59 HD1 HIS 8 HD1 HIS 8 0.377 -17.323 15.343 60 HD2 HIS 8 HD2 HIS 8 0.810 -14.128 17.972 61 HE1 HIS 8 HE1 HIS 8 2.795 -16.658 15.206 62 HE2 HIS 8 HE2 HIS 8 3.014 -14.680 16.738 63 H SER 9 H SER 9 -3.134 -13.435 14.402 64 HA SER 9 HA SER 9 -2.637 -15.246 12.157 65 HB2 SER 9 2HB SER 9 -3.678 -12.372 12.253 66 HB3 SER 9 3HB SER 9 -3.536 -13.337 10.777 67 HG SER 9 HG SER 9 -4.871 -14.922 12.092 68 H HIS 10 H HIS 10 -1.084 -12.593 13.773 69 HA HIS 10 HA HIS 10 0.726 -11.287 13.448 70 HB2 HIS 10 2HB HIS 10 1.854 -13.562 13.411 71 HB3 HIS 10 3HB HIS 10 1.767 -13.534 11.657 72 HD1 HIS 10 HD1 HIS 10 3.341 -11.538 14.484 73 HD2 HIS 10 HD2 HIS 10 3.936 -12.369 10.464 74 HE1 HIS 10 HE1 HIS 10 5.527 -10.463 13.897 75 HE2 HIS 10 HE2 HIS 10 5.927 -11.096 11.500 76 H MET 11 H MET 11 -1.541 -10.882 11.844 77 HA MET 11 HA MET 11 -0.569 -10.006 9.192 78 HB2 MET 11 2HB MET 11 -2.650 -11.534 9.532 79 HB3 MET 11 3HB MET 11 -3.473 -10.097 10.118 80 HG2 MET 11 2HG MET 11 -4.058 -10.438 7.814 81 HG3 MET 11 3HG MET 11 -3.020 -9.016 7.896 82 HE1 MET 11 3HE MET 11 0.052 -9.976 5.824 83 HE2 MET 11 1HE MET 11 -0.110 -9.512 7.517 84 HE3 MET 11 2HE MET 11 -1.063 -8.687 6.282 85 H PHE 12 H PHE 12 -0.448 -8.722 12.047 86 HA PHE 12 HA PHE 12 -1.862 -6.200 11.757 87 HB2 PHE 12 2HB PHE 12 0.058 -7.176 13.920 88 HB3 PHE 12 3HB PHE 12 -0.931 -5.719 14.003 89 HD1 PHE 12 HD2 PHE 12 -3.389 -5.874 14.290 90 HD2 PHE 12 HD1 PHE 12 -0.950 -9.395 14.248 91 HE1 PHE 12 HE2 PHE 12 -5.256 -7.193 15.199 92 HE2 PHE 12 HE1 PHE 12 -2.833 -10.701 15.145 93 HZ PHE 12 HZ PHE 12 -4.982 -9.602 15.622 94 H ILE 13 H ILE 13 -0.952 -4.333 11.082 95 HA ILE 13 HA ILE 13 1.641 -4.573 9.734 96 HB ILE 13 HB ILE 13 -0.515 -2.425 9.461 97 HG12 ILE 13 2HG1 ILE 13 -0.048 -4.836 7.638 98 HG13 ILE 13 3HG1 ILE 13 -1.349 -4.715 8.816 99 HG21 ILE 13 1HG2 ILE 13 1.704 -1.657 8.727 100 HG22 ILE 13 2HG2 ILE 13 0.627 -1.841 7.344 101 HG23 ILE 13 3HG2 ILE 13 1.861 -3.061 7.667 102 HD11 ILE 13 3HD1 ILE 13 -0.972 -2.965 6.397 103 HD12 ILE 13 1HD1 ILE 13 -2.252 -2.785 7.602 104 HD13 ILE 13 2HD1 ILE 13 -2.164 -4.244 6.616 105 H GLN 14 H GLN 14 3.382 -3.516 10.498 106 HA GLN 14 HA GLN 14 3.112 -1.370 12.508 107 HB2 GLN 14 2HB GLN 14 5.501 -1.760 12.982 108 HB3 GLN 14 3HB GLN 14 4.584 -3.250 13.146 109 HG2 GLN 14 2HG GLN 14 5.397 -3.976 10.920 110 HG3 GLN 14 3HG GLN 14 6.354 -2.500 10.804 111 HE21 GLN 14 1HE2 GLN 14 6.061 -5.613 12.383 112 HE22 GLN 14 2HE2 GLN 14 7.645 -5.624 13.073 113 H THR 15 H THR 15 3.890 0.667 12.046 114 HA THR 15 HA THR 15 4.529 1.255 9.222 115 HB THR 15 HB THR 15 3.999 3.639 9.900 116 HG1 THR 15 HG1 THR 15 4.134 3.837 12.031 117 HG21 THR 15 3HG2 THR 15 2.251 2.238 8.841 118 HG22 THR 15 1HG2 THR 15 1.553 3.344 10.026 119 HG23 THR 15 2HG2 THR 15 1.763 1.639 10.429 120 H GLN 16 H GLN 16 6.508 1.943 8.686 121 HA GLN 16 HA GLN 16 8.454 2.773 10.759 122 HB2 GLN 16 2HB GLN 16 8.935 1.002 8.315 123 HB3 GLN 16 3HB GLN 16 10.231 1.714 9.272 124 HG2 GLN 16 2HG GLN 16 9.431 0.468 11.269 125 HG3 GLN 16 3HG GLN 16 8.158 -0.257 10.287 126 HE21 GLN 16 1HE2 GLN 16 8.944 -2.342 10.751 127 HE22 GLN 16 2HE2 GLN 16 10.379 -2.962 10.021 128 H ASP 17 H ASP 17 9.381 4.693 10.380 129 HA ASP 17 HA ASP 17 8.313 6.333 8.264 130 HB2 ASP 17 2HB ASP 17 8.593 7.046 10.683 131 HB3 ASP 17 3HB ASP 17 10.330 7.081 10.430 132 H THR 18 H THR 18 9.690 7.683 6.870 133 HA THR 18 HA THR 18 12.010 6.153 5.814 134 HB THR 18 HB THR 18 11.139 6.487 3.525 135 HG1 THR 18 HG1 THR 18 8.710 7.491 4.572 136 HG21 THR 18 3HG2 THR 18 9.141 5.033 3.539 137 HG22 THR 18 1HG2 THR 18 8.981 5.258 5.282 138 HG23 THR 18 2HG2 THR 18 10.386 4.414 4.624 139 HA PRO 19 HA PRO 19 13.734 10.358 5.087 140 HB2 PRO 19 2HB PRO 19 15.237 10.083 2.839 141 HB3 PRO 19 3HB PRO 19 15.682 9.262 4.349 142 HG2 PRO 19 2HG PRO 19 14.200 8.135 1.981 143 HG3 PRO 19 3HG PRO 19 15.601 7.460 2.849 144 HD2 PRO 19 2HD PRO 19 13.072 6.635 3.376 145 HD3 PRO 19 3HD PRO 19 14.313 6.732 4.651 146 H ASN 20 H ASN 20 10.986 9.703 3.913 147 HA ASN 20 HA ASN 20 10.852 11.956 2.013 148 HB2 ASN 20 2HB ASN 20 10.835 9.738 0.769 149 HB3 ASN 20 3HB ASN 20 9.368 9.309 1.639 150 HD21 ASN 20 1HD2 ASN 20 9.723 9.561 -1.213 151 HD22 ASN 20 2HD2 ASN 20 8.621 10.778 -1.750 152 HA PRO 21 HA PRO 21 7.718 12.866 5.258 153 HB2 PRO 21 2HB PRO 21 6.857 15.291 4.236 154 HB3 PRO 21 3HB PRO 21 8.356 15.099 5.169 155 HG2 PRO 21 2HG PRO 21 8.005 15.220 2.191 156 HG3 PRO 21 3HG PRO 21 9.209 16.038 3.215 157 HD2 PRO 21 2HD PRO 21 9.826 13.801 1.829 158 HD3 PRO 21 3HD PRO 21 10.518 14.107 3.444 159 H ASN 22 H ASN 22 7.156 12.768 1.786 160 HA ASN 22 HA ASN 22 4.256 12.690 2.057 161 HB2 ASN 22 2HB ASN 22 6.060 12.575 -0.388 162 HB3 ASN 22 3HB ASN 22 4.303 12.463 -0.464 163 HD21 ASN 22 1HD2 ASN 22 3.852 14.352 -1.508 164 HD22 ASN 22 2HD2 ASN 22 4.229 15.922 -0.890 165 H SER 23 H SER 23 6.707 10.336 2.244 166 HA SER 23 HA SER 23 4.788 8.207 1.412 167 HB2 SER 23 2HB SER 23 6.686 8.484 -0.214 168 HB3 SER 23 3HB SER 23 7.824 8.089 1.075 169 HG SER 23 HG SER 23 5.730 6.292 0.681 170 H LEU 24 H LEU 24 4.555 6.452 2.733 171 HA LEU 24 HA LEU 24 6.268 6.171 5.136 172 HB2 LEU 24 2HB LEU 24 4.101 7.246 5.764 173 HB3 LEU 24 3HB LEU 24 3.226 5.910 5.038 174 HG LEU 24 HG LEU 24 4.154 4.365 6.769 175 HD11 LEU 24 1HD1 LEU 24 5.408 6.838 7.998 176 HD12 LEU 24 2HD1 LEU 24 6.269 5.483 7.264 177 HD13 LEU 24 3HD1 LEU 24 5.335 5.234 8.736 178 HD21 LEU 24 3HD2 LEU 24 2.737 6.804 7.899 179 HD22 LEU 24 1HD2 LEU 24 2.838 5.220 8.678 180 HD23 LEU 24 2HD2 LEU 24 1.976 5.397 7.154 181 H LYS 25 H LYS 25 6.634 4.020 5.774 182 HA LYS 25 HA LYS 25 6.125 1.985 3.688 183 HB2 LYS 25 2HB LYS 25 8.490 2.663 4.241 184 HB3 LYS 25 3HB LYS 25 8.248 2.088 5.885 185 HG2 LYS 25 2HG LYS 25 7.923 -0.210 5.019 186 HG3 LYS 25 3HG LYS 25 8.189 0.379 3.374 187 HD2 LYS 25 2HD LYS 25 10.482 1.082 3.979 188 HD3 LYS 25 3HD LYS 25 10.216 0.560 5.643 189 HE2 LYS 25 2HE LYS 25 10.018 -1.761 4.918 190 HE3 LYS 25 3HE LYS 25 10.163 -1.270 3.229 191 HZ1 LYS 25 3HZ LYS 25 12.267 -0.945 5.305 192 HZ2 LYS 25 1HZ LYS 25 12.397 -0.476 3.683 193 HZ3 LYS 25 2HZ LYS 25 12.248 -2.112 4.080 194 H PHE 26 H PHE 26 4.905 0.235 4.196 195 HA PHE 26 HA PHE 26 3.892 -0.138 6.970 196 HB2 PHE 26 2HB PHE 26 2.502 -0.609 4.277 197 HB3 PHE 26 3HB PHE 26 1.804 -1.016 5.840 198 HD1 PHE 26 HD2 PHE 26 2.748 1.799 3.599 199 HD2 PHE 26 HD1 PHE 26 0.846 0.705 7.276 200 HE1 PHE 26 HE2 PHE 26 1.788 4.057 3.779 201 HE2 PHE 26 HE1 PHE 26 -0.107 2.969 7.443 202 HZ PHE 26 HZ PHE 26 0.365 4.645 5.701 203 H ILE 27 H ILE 27 5.007 -1.911 7.788 204 HA ILE 27 HA ILE 27 5.600 -4.224 6.068 205 HB ILE 27 HB ILE 27 6.530 -3.477 8.880 206 HG12 ILE 27 2HG1 ILE 27 8.850 -3.626 7.797 207 HG13 ILE 27 3HG1 ILE 27 8.043 -3.753 6.244 208 HG21 ILE 27 1HG2 ILE 27 7.145 -6.079 7.429 209 HG22 ILE 27 2HG2 ILE 27 6.168 -5.901 8.887 210 HG23 ILE 27 3HG2 ILE 27 7.892 -5.544 8.939 211 HD11 ILE 27 3HD1 ILE 27 7.100 -1.530 6.533 212 HD12 ILE 27 1HD1 ILE 27 8.855 -1.497 6.701 213 HD13 ILE 27 2HD1 ILE 27 7.833 -1.414 8.135 214 HA PRO 28 HA PRO 28 1.648 -5.724 7.866 215 HB2 PRO 28 2HB PRO 28 1.194 -7.773 6.133 216 HB3 PRO 28 3HB PRO 28 1.002 -6.075 5.652 217 HG2 PRO 28 2HG PRO 28 3.344 -7.902 5.185 218 HG3 PRO 28 3HG PRO 28 2.508 -6.837 4.029 219 HD2 PRO 28 2HD PRO 28 4.825 -6.107 5.242 220 HD3 PRO 28 3HD PRO 28 3.566 -4.920 4.823 221 H GLY 29 H GLY 29 4.652 -7.399 7.745 222 HA2 GLY 29 2HA GLY 29 5.456 -8.830 9.449 223 HA3 GLY 29 3HA GLY 29 3.807 -9.275 9.870 224 H LYS 30 H LYS 30 3.684 -9.404 6.664 225 HA LYS 30 HA LYS 30 4.725 -12.151 6.364 226 HB2 LYS 30 2HB LYS 30 1.972 -11.136 5.502 227 HB3 LYS 30 3HB LYS 30 2.655 -12.687 5.023 228 HG2 LYS 30 2HG LYS 30 2.765 -13.312 7.483 229 HG3 LYS 30 3HG LYS 30 1.876 -11.824 7.829 230 HD2 LYS 30 2HD LYS 30 0.336 -13.739 7.747 231 HD3 LYS 30 3HD LYS 30 -0.009 -12.622 6.423 232 HE2 LYS 30 2HE LYS 30 1.243 -14.082 4.869 233 HE3 LYS 30 3HE LYS 30 1.591 -15.194 6.194 234 HZ1 LYS 30 3HZ LYS 30 -0.290 -15.869 4.776 235 HZ2 LYS 30 1HZ LYS 30 -1.149 -14.506 5.287 236 HZ3 LYS 30 2HZ LYS 30 -0.707 -15.700 6.402 237 HA PRO 31 HA PRO 31 6.706 -10.165 2.843 238 HB2 PRO 31 2HB PRO 31 6.947 -12.941 1.717 239 HB3 PRO 31 3HB PRO 31 8.219 -11.748 2.072 240 HG2 PRO 31 2HG PRO 31 7.920 -13.861 3.652 241 HG3 PRO 31 3HG PRO 31 8.260 -12.262 4.360 242 HD2 PRO 31 2HD PRO 31 5.602 -13.695 4.139 243 HD3 PRO 31 3HD PRO 31 6.316 -12.853 5.538 244 H VAL 32 H VAL 32 5.017 -9.043 1.863 245 HA VAL 32 HA VAL 32 2.969 -10.164 0.290 246 HB VAL 32 HB VAL 32 2.632 -7.877 -0.685 247 HG11 VAL 32 1HG1 VAL 32 2.939 -7.959 2.339 248 HG12 VAL 32 2HG1 VAL 32 1.524 -8.440 1.404 249 HG13 VAL 32 3HG1 VAL 32 2.014 -6.750 1.442 250 HG21 VAL 32 3HG2 VAL 32 3.971 -5.967 0.115 251 HG22 VAL 32 1HG2 VAL 32 4.965 -7.114 -0.785 252 HG23 VAL 32 2HG2 VAL 32 5.047 -7.071 0.977 253 H LEU 33 H LEU 33 6.130 -8.795 -0.708 254 HA LEU 33 HA LEU 33 6.143 -10.660 -2.980 255 HB2 LEU 33 2HB LEU 33 6.674 -7.682 -3.121 256 HB3 LEU 33 3HB LEU 33 7.411 -8.777 -4.275 257 HG LEU 33 HG LEU 33 4.433 -8.299 -3.914 258 HD11 LEU 33 1HD1 LEU 33 4.543 -7.316 -6.152 259 HD12 LEU 33 2HD1 LEU 33 6.286 -7.596 -6.216 260 HD13 LEU 33 3HD1 LEU 33 5.614 -6.464 -5.041 261 HD21 LEU 33 3HD2 LEU 33 4.107 -9.782 -5.846 262 HD22 LEU 33 1HD2 LEU 33 4.829 -10.653 -4.495 263 HD23 LEU 33 2HD2 LEU 33 5.830 -10.167 -5.866 264 H GLU 34 H GLU 34 7.417 -11.891 -1.500 265 HA GLU 34 HA GLU 34 10.132 -11.102 -0.886 266 HB2 GLU 34 2HB GLU 34 9.004 -12.786 0.481 267 HB3 GLU 34 3HB GLU 34 8.698 -13.809 -0.906 268 HG2 GLU 34 2HG GLU 34 11.528 -13.206 -0.007 269 HG3 GLU 34 3HG GLU 34 10.579 -14.465 0.776 270 H THR 35 H THR 35 8.447 -12.885 -3.401 271 HA THR 35 HA THR 35 10.592 -13.928 -4.863 272 HB THR 35 HB THR 35 8.354 -14.808 -5.153 273 HG1 THR 35 HG1 THR 35 9.348 -15.235 -7.016 274 HG21 THR 35 3HG2 THR 35 7.025 -12.753 -4.817 275 HG22 THR 35 1HG2 THR 35 6.548 -13.585 -6.301 276 HG23 THR 35 2HG2 THR 35 7.561 -12.143 -6.385 277 H ARG 36 H ARG 36 9.042 -10.728 -5.069 278 HA ARG 36 HA ARG 36 11.183 -9.658 -6.711 279 HB2 ARG 36 2HB ARG 36 9.762 -8.917 -8.587 280 HB3 ARG 36 3HB ARG 36 9.760 -10.672 -8.461 281 HG2 ARG 36 2HG ARG 36 7.535 -10.719 -7.595 282 HG3 ARG 36 3HG ARG 36 7.537 -8.981 -7.279 283 HD2 ARG 36 2HD ARG 36 6.183 -9.565 -9.259 284 HD3 ARG 36 3HD ARG 36 7.534 -8.508 -9.675 285 HE ARG 36 HE ARG 36 8.065 -11.333 -10.017 286 HH11 ARG 36 1HH1 ARG 36 6.843 -8.435 -11.608 287 HH12 ARG 36 2HH1 ARG 36 7.129 -9.054 -13.203 288 HH21 ARG 36 1HH2 ARG 36 8.437 -12.116 -12.107 289 HH22 ARG 36 2HH2 ARG 36 8.033 -11.140 -13.488 290 H THR 37 H THR 37 10.165 -7.301 -7.538 291 HA THR 37 HA THR 37 8.532 -6.047 -5.410 292 HB THR 37 HB THR 37 9.848 -3.896 -5.832 293 HG1 THR 37 HG1 THR 37 10.992 -5.425 -7.712 294 HG21 THR 37 3HG2 THR 37 11.798 -4.452 -4.432 295 HG22 THR 37 1HG2 THR 37 11.518 -6.175 -4.697 296 HG23 THR 37 2HG2 THR 37 10.340 -5.215 -3.798 297 H MET 38 H MET 38 7.057 -4.411 -6.242 298 HA MET 38 HA MET 38 6.914 -4.054 -9.157 299 HB2 MET 38 2HB MET 38 4.690 -5.331 -7.508 300 HB3 MET 38 3HB MET 38 4.369 -4.534 -9.043 301 HG2 MET 38 2HG MET 38 5.875 -6.101 -10.185 302 HG3 MET 38 3HG MET 38 6.218 -6.893 -8.649 303 HE1 MET 38 3HE MET 38 3.471 -6.134 -11.358 304 HE2 MET 38 1HE MET 38 2.701 -5.536 -9.885 305 HE3 MET 38 2HE MET 38 2.079 -6.980 -10.683 306 H ASP 39 H ASP 39 6.448 -2.052 -9.664 307 HA ASP 39 HA ASP 39 5.664 -0.123 -7.599 308 HB2 ASP 39 2HB ASP 39 6.572 1.565 -9.142 309 HB3 ASP 39 3HB ASP 39 7.747 0.277 -8.907 310 H PHE 40 H PHE 40 3.874 1.108 -7.754 311 HA PHE 40 HA PHE 40 2.169 1.049 -10.181 312 HB2 PHE 40 2HB PHE 40 1.050 1.092 -7.335 313 HB3 PHE 40 3HB PHE 40 0.155 0.902 -8.843 314 HD1 PHE 40 HD2 PHE 40 0.267 -1.256 -10.105 315 HD2 PHE 40 HD1 PHE 40 2.182 -0.798 -6.310 316 HE1 PHE 40 HE2 PHE 40 0.531 -3.694 -9.934 317 HE2 PHE 40 HE1 PHE 40 2.458 -3.228 -6.169 318 HZ PHE 40 HZ PHE 40 1.632 -4.687 -7.972 319 HA PRO 41 HA PRO 41 3.386 5.397 -8.987 320 HB2 PRO 41 2HB PRO 41 3.504 5.863 -11.932 321 HB3 PRO 41 3HB PRO 41 4.772 6.074 -10.708 322 HG2 PRO 41 2HG PRO 41 4.883 4.096 -12.541 323 HG3 PRO 41 3HG PRO 41 5.529 3.896 -10.897 324 HD2 PRO 41 2HD PRO 41 2.904 2.919 -12.023 325 HD3 PRO 41 3HD PRO 41 4.073 2.078 -10.972 326 H THR 42 H THR 42 1.144 4.194 -11.397 327 HA THR 42 HA THR 42 -0.601 6.578 -11.180 328 HB THR 42 HB THR 42 -1.359 5.991 -13.488 329 HG1 THR 42 HG1 THR 42 -0.045 4.408 -14.637 330 HG21 THR 42 3HG2 THR 42 0.470 7.629 -13.273 331 HG22 THR 42 1HG2 THR 42 0.699 6.641 -14.718 332 HG23 THR 42 2HG2 THR 42 1.660 6.325 -13.271 333 HA PRO 43 HA PRO 43 -3.927 3.903 -9.640 334 HB2 PRO 43 2HB PRO 43 -5.771 5.457 -11.458 335 HB3 PRO 43 3HB PRO 43 -5.861 5.196 -9.700 336 HG2 PRO 43 2HG PRO 43 -5.110 7.555 -10.653 337 HG3 PRO 43 3HG PRO 43 -4.307 6.865 -9.220 338 HD2 PRO 43 2HD PRO 43 -3.335 6.933 -12.078 339 HD3 PRO 43 3HD PRO 43 -2.439 7.253 -10.575 340 H ALA 44 H ALA 44 -3.441 4.366 -13.086 341 HA ALA 44 HA ALA 44 -5.128 2.249 -14.023 342 HB1 ALA 44 3HB ALA 44 -3.991 2.589 -16.176 343 HB2 ALA 44 1HB ALA 44 -2.792 3.624 -15.391 344 HB3 ALA 44 2HB ALA 44 -4.481 4.127 -15.464 345 H ALA 45 H ALA 45 -1.616 2.553 -13.375 346 HA ALA 45 HA ALA 45 -0.769 0.016 -14.283 347 HB1 ALA 45 3HB ALA 45 0.783 1.885 -13.875 348 HB2 ALA 45 1HB ALA 45 1.296 0.437 -13.010 349 HB3 ALA 45 2HB ALA 45 0.506 1.755 -12.138 350 H ALA 46 H ALA 46 -2.427 0.923 -11.427 351 HA ALA 46 HA ALA 46 -1.676 -1.019 -9.577 352 HB1 ALA 46 3HB ALA 46 -3.732 -0.419 -8.406 353 HB2 ALA 46 1HB ALA 46 -4.338 0.386 -9.859 354 HB3 ALA 46 2HB ALA 46 -2.914 1.016 -9.029 355 H PHE 47 H PHE 47 -3.444 -1.536 -12.495 356 HA PHE 47 HA PHE 47 -5.342 -3.459 -11.781 357 HB2 PHE 47 2HB PHE 47 -5.481 -4.089 -14.095 358 HB3 PHE 47 3HB PHE 47 -5.152 -2.369 -14.046 359 HD1 PHE 47 HD1 PHE 47 -2.777 -1.553 -14.603 360 HD2 PHE 47 HD2 PHE 47 -4.031 -5.577 -15.304 361 HE1 PHE 47 HE1 PHE 47 -0.935 -1.847 -16.205 362 HE2 PHE 47 HE2 PHE 47 -2.179 -5.868 -16.901 363 HZ PHE 47 HZ PHE 47 -0.635 -4.003 -17.356 364 H ARG 48 H ARG 48 -1.925 -3.761 -11.993 365 HA ARG 48 HA ARG 48 -1.744 -6.589 -12.382 366 HB2 ARG 48 2HB ARG 48 0.330 -4.591 -11.436 367 HB3 ARG 48 3HB ARG 48 0.664 -6.233 -11.977 368 HG2 ARG 48 2HG ARG 48 -0.280 -5.631 -14.218 369 HG3 ARG 48 3HG ARG 48 -0.457 -3.969 -13.652 370 HD2 ARG 48 2HD ARG 48 2.145 -5.501 -13.877 371 HD3 ARG 48 3HD ARG 48 1.573 -4.268 -14.999 372 HE ARG 48 HE ARG 48 1.626 -2.938 -12.644 373 HH11 ARG 48 1HH1 ARG 48 4.030 -4.872 -14.336 374 HH12 ARG 48 2HH1 ARG 48 5.372 -3.974 -13.708 375 HH21 ARG 48 1HH2 ARG 48 3.429 -1.744 -11.848 376 HH22 ARG 48 2HH2 ARG 48 5.033 -2.213 -12.307 377 H SER 49 H SER 49 -2.782 -4.959 -9.725 378 HA SER 49 HA SER 49 -2.482 -7.303 -8.048 379 HB2 SER 49 2HB SER 49 -0.537 -6.123 -7.278 380 HB3 SER 49 3HB SER 49 -1.386 -4.576 -7.269 381 HG SER 49 HG SER 49 -1.325 -6.577 -5.379 382 HA PRO 50 HA PRO 50 -6.735 -5.859 -7.230 383 HB2 PRO 50 2HB PRO 50 -6.704 -7.895 -5.038 384 HB3 PRO 50 3HB PRO 50 -7.776 -7.769 -6.447 385 HG2 PRO 50 2HG PRO 50 -5.910 -9.689 -6.287 386 HG3 PRO 50 3HG PRO 50 -6.343 -8.933 -7.838 387 HD2 PRO 50 2HD PRO 50 -3.946 -8.415 -6.086 388 HD3 PRO 50 3HD PRO 50 -4.045 -8.554 -7.860 389 H LEU 51 H LEU 51 -4.217 -6.390 -4.781 390 HA LEU 51 HA LEU 51 -5.421 -4.931 -2.661 391 HB2 LEU 51 2HB LEU 51 -3.619 -6.591 -2.281 392 HB3 LEU 51 3HB LEU 51 -2.478 -5.565 -3.137 393 HG LEU 51 HG LEU 51 -2.609 -3.862 -1.371 394 HD11 LEU 51 1HD1 LEU 51 -4.636 -5.642 0.019 395 HD12 LEU 51 2HD1 LEU 51 -4.961 -4.079 -0.733 396 HD13 LEU 51 3HD1 LEU 51 -3.919 -4.173 0.679 397 HD21 LEU 51 3HD2 LEU 51 -1.583 -5.106 0.495 398 HD22 LEU 51 1HD2 LEU 51 -0.967 -5.658 -1.063 399 HD23 LEU 51 2HD2 LEU 51 -2.157 -6.629 -0.191 400 H ALA 52 H ALA 52 -3.086 -4.104 -5.219 401 HA ALA 52 HA ALA 52 -2.452 -1.473 -4.355 402 HB1 ALA 52 3HB ALA 52 -2.434 -2.572 -7.187 403 HB2 ALA 52 1HB ALA 52 -1.107 -2.678 -6.028 404 HB3 ALA 52 2HB ALA 52 -1.619 -1.103 -6.640 405 H ARG 53 H ARG 53 -4.924 -2.719 -6.590 406 HA ARG 53 HA ARG 53 -6.161 -0.327 -7.369 407 HB2 ARG 53 2HB ARG 53 -7.271 -3.144 -7.033 408 HB3 ARG 53 3HB ARG 53 -8.218 -1.826 -7.717 409 HG2 ARG 53 2HG ARG 53 -6.568 -1.583 -9.538 410 HG3 ARG 53 3HG ARG 53 -5.625 -2.911 -8.859 411 HD2 ARG 53 2HD ARG 53 -7.125 -3.530 -10.809 412 HD3 ARG 53 3HD ARG 53 -7.347 -4.505 -9.356 413 HE ARG 53 HE ARG 53 -9.352 -3.235 -8.882 414 HH11 ARG 53 1HH1 ARG 53 -8.190 -2.909 -12.205 415 HH12 ARG 53 2HH1 ARG 53 -9.749 -2.441 -12.808 416 HH21 ARG 53 1HH2 ARG 53 -11.347 -2.662 -9.696 417 HH22 ARG 53 2HH2 ARG 53 -11.536 -2.303 -11.381 418 H GLN 54 H GLN 54 -6.747 -2.394 -4.543 419 HA GLN 54 HA GLN 54 -8.996 -0.921 -3.544 420 HB2 GLN 54 2HB GLN 54 -7.194 -2.988 -2.225 421 HB3 GLN 54 3HB GLN 54 -8.628 -2.309 -1.463 422 HG2 GLN 54 2HG GLN 54 -10.050 -3.249 -3.221 423 HG3 GLN 54 3HG GLN 54 -8.628 -3.887 -4.047 424 HE21 GLN 54 1HE2 GLN 54 -7.563 -5.700 -3.166 425 HE22 GLN 54 2HE2 GLN 54 -8.293 -6.697 -1.955 426 H LEU 55 H LEU 55 -5.524 -0.726 -3.073 427 HA LEU 55 HA LEU 55 -5.598 1.084 -0.852 428 HB2 LEU 55 2HB LEU 55 -3.347 0.387 -2.777 429 HB3 LEU 55 3HB LEU 55 -3.147 1.451 -1.392 430 HG LEU 55 HG LEU 55 -3.919 -1.496 -1.243 431 HD11 LEU 55 1HD1 LEU 55 -1.692 -1.858 -0.283 432 HD12 LEU 55 2HD1 LEU 55 -1.293 -0.155 -0.530 433 HD13 LEU 55 3HD1 LEU 55 -1.589 -1.206 -1.917 434 HD21 LEU 55 3HD2 LEU 55 -3.626 -1.279 1.196 435 HD22 LEU 55 1HD2 LEU 55 -4.938 -0.263 0.601 436 HD23 LEU 55 2HD2 LEU 55 -3.383 0.461 1.016 437 H PHE 56 H PHE 56 -5.450 1.522 -4.390 438 HA PHE 56 HA PHE 56 -5.172 4.384 -4.309 439 HB2 PHE 56 2HB PHE 56 -5.876 2.410 -6.495 440 HB3 PHE 56 3HB PHE 56 -6.146 4.125 -6.776 441 HD1 PHE 56 HD1 PHE 56 -4.214 5.726 -6.769 442 HD2 PHE 56 HD2 PHE 56 -3.605 1.506 -6.528 443 HE1 PHE 56 HE1 PHE 56 -1.864 6.013 -7.432 444 HE2 PHE 56 HE2 PHE 56 -1.259 1.806 -7.187 445 HZ PHE 56 HZ PHE 56 -0.389 4.058 -7.645 446 H ARG 57 H ARG 57 -7.824 2.350 -3.632 447 HA ARG 57 HA ARG 57 -9.946 4.238 -4.156 448 HB2 ARG 57 2HB ARG 57 -9.781 1.699 -2.500 449 HB3 ARG 57 3HB ARG 57 -11.248 2.670 -2.578 450 HG2 ARG 57 2HG ARG 57 -11.466 2.278 -4.958 451 HG3 ARG 57 3HG ARG 57 -9.910 1.439 -5.010 452 HD2 ARG 57 2HD ARG 57 -11.903 -0.094 -4.999 453 HD3 ARG 57 3HD ARG 57 -10.767 -0.385 -3.679 454 HE ARG 57 HE ARG 57 -12.849 1.390 -2.868 455 HH11 ARG 57 1HH1 ARG 57 -12.232 -2.041 -3.438 456 HH12 ARG 57 2HH1 ARG 57 -13.468 -2.557 -2.337 457 HH21 ARG 57 1HH2 ARG 57 -14.429 0.678 -1.394 458 HH22 ARG 57 2HH2 ARG 57 -14.709 -1.024 -1.182 459 H ILE 58 H ILE 58 -7.544 4.068 -1.749 460 HA ILE 58 HA ILE 58 -9.111 5.112 0.470 461 HB ILE 58 HB ILE 58 -6.087 4.680 0.266 462 HG12 ILE 58 2HG1 ILE 58 -8.249 2.816 1.353 463 HG13 ILE 58 3HG1 ILE 58 -7.310 2.562 -0.110 464 HG21 ILE 58 1HG2 ILE 58 -6.101 4.715 2.736 465 HG22 ILE 58 2HG2 ILE 58 -7.834 5.042 2.731 466 HG23 ILE 58 3HG2 ILE 58 -6.710 6.238 2.082 467 HD11 ILE 58 3HD1 ILE 58 -5.278 2.354 1.259 468 HD12 ILE 58 1HD1 ILE 58 -6.510 1.155 1.650 469 HD13 ILE 58 2HD1 ILE 58 -6.265 2.539 2.714 470 H GLU 59 H GLU 59 -9.214 7.209 1.075 471 HA GLU 59 HA GLU 59 -8.660 9.306 -0.679 472 HB2 GLU 59 2HB GLU 59 -9.304 10.820 1.243 473 HB3 GLU 59 3HB GLU 59 -10.470 9.552 0.896 474 HG2 GLU 59 2HG GLU 59 -9.717 8.252 2.815 475 HG3 GLU 59 3HG GLU 59 -8.423 9.403 3.133 476 H GLY 60 H GLY 60 -6.565 9.649 -1.286 477 HA2 GLY 60 2HA GLY 60 -4.895 11.386 -0.638 478 HA3 GLY 60 3HA GLY 60 -4.636 10.465 0.834 479 H VAL 61 H VAL 61 -5.007 8.122 -1.463 480 HA VAL 61 HA VAL 61 -2.150 7.638 -1.461 481 HB VAL 61 HB VAL 61 -4.469 5.997 -2.563 482 HG11 VAL 61 1HG1 VAL 61 -2.859 4.128 -2.839 483 HG12 VAL 61 2HG1 VAL 61 -1.525 5.219 -2.458 484 HG13 VAL 61 3HG1 VAL 61 -2.488 5.476 -3.915 485 HG21 VAL 61 3HG2 VAL 61 -2.706 5.621 -0.108 486 HG22 VAL 61 1HG2 VAL 61 -3.992 4.529 -0.630 487 HG23 VAL 61 2HG2 VAL 61 -4.385 6.166 -0.108 488 H LYS 62 H LYS 62 -0.931 8.674 -2.816 489 HA LYS 62 HA LYS 62 -1.650 9.530 -5.484 490 HB2 LYS 62 2HB LYS 62 -0.109 10.822 -3.974 491 HB3 LYS 62 3HB LYS 62 1.071 9.526 -4.097 492 HG2 LYS 62 2HG LYS 62 1.675 11.383 -5.551 493 HG3 LYS 62 3HG LYS 62 1.288 9.958 -6.521 494 HD2 LYS 62 2HD LYS 62 -0.958 10.897 -6.989 495 HD3 LYS 62 3HD LYS 62 -0.574 12.312 -6.004 496 HE2 LYS 62 2HE LYS 62 1.274 12.866 -7.576 497 HE3 LYS 62 3HE LYS 62 0.818 11.484 -8.576 498 HZ1 LYS 62 3HZ LYS 62 -1.374 12.519 -8.887 499 HZ2 LYS 62 1HZ LYS 62 -0.122 13.508 -9.451 500 HZ3 LYS 62 2HZ LYS 62 -0.874 13.856 -7.982 501 H SER 63 H SER 63 0.476 7.101 -4.010 502 HA SER 63 HA SER 63 0.422 5.420 -6.347 503 HB2 SER 63 2HB SER 63 2.928 5.375 -6.621 504 HB3 SER 63 3HB SER 63 2.222 6.939 -7.037 505 HG SER 63 HG SER 63 3.642 6.211 -4.703 506 H VAL 64 H VAL 64 1.287 3.329 -5.937 507 HA VAL 64 HA VAL 64 1.884 2.651 -3.106 508 HB VAL 64 HB VAL 64 0.256 0.989 -5.109 509 HG11 VAL 64 1HG1 VAL 64 0.995 0.326 -2.232 510 HG12 VAL 64 2HG1 VAL 64 1.626 -0.465 -3.679 511 HG13 VAL 64 3HG1 VAL 64 -0.081 -0.619 -3.266 512 HG21 VAL 64 3HG2 VAL 64 -1.651 1.304 -3.573 513 HG22 VAL 64 1HG2 VAL 64 -1.068 2.848 -4.199 514 HG23 VAL 64 2HG2 VAL 64 -0.666 2.356 -2.552 515 H PHE 65 H PHE 65 3.640 1.328 -2.822 516 HA PHE 65 HA PHE 65 4.831 -0.067 -5.157 517 HB2 PHE 65 2HB PHE 65 6.243 1.900 -4.601 518 HB3 PHE 65 3HB PHE 65 6.335 1.392 -2.916 519 HD1 PHE 65 HD2 PHE 65 7.137 0.166 -6.381 520 HD2 PHE 65 HD1 PHE 65 8.192 0.058 -2.234 521 HE1 PHE 65 HE2 PHE 65 9.125 -1.179 -6.916 522 HE2 PHE 65 HE1 PHE 65 10.177 -1.294 -2.784 523 HZ PHE 65 HZ PHE 65 10.643 -1.909 -5.122 524 H PHE 66 H PHE 66 5.269 -2.197 -4.763 525 HA PHE 66 HA PHE 66 4.983 -3.239 -1.999 526 HB2 PHE 66 2HB PHE 66 4.556 -4.641 -4.672 527 HB3 PHE 66 3HB PHE 66 4.566 -5.474 -3.121 528 HD1 PHE 66 HD2 PHE 66 3.004 -3.089 -1.687 529 HD2 PHE 66 HD1 PHE 66 2.312 -5.436 -5.190 530 HE1 PHE 66 HE2 PHE 66 0.586 -2.730 -1.463 531 HE2 PHE 66 HE1 PHE 66 -0.099 -5.060 -4.944 532 HZ PHE 66 HZ PHE 66 -0.975 -3.712 -3.089 533 H GLY 67 H GLY 67 6.526 -4.407 -1.149 534 HA2 GLY 67 2HA GLY 67 8.966 -5.198 -2.587 535 HA3 GLY 67 3HA GLY 67 9.094 -4.076 -1.230 536 HA PRO 68 HA PRO 68 9.203 -8.654 0.176 537 HB2 PRO 68 2HB PRO 68 11.763 -7.898 1.506 538 HB3 PRO 68 3HB PRO 68 11.412 -9.261 0.426 539 HG2 PRO 68 2HG PRO 68 12.916 -7.179 -0.373 540 HG3 PRO 68 3HG PRO 68 11.846 -8.057 -1.491 541 HD2 PRO 68 2HD PRO 68 11.396 -5.393 -0.151 542 HD3 PRO 68 3HD PRO 68 11.026 -5.905 -1.815 543 H ASP 69 H ASP 69 7.531 -8.392 1.568 544 HA ASP 69 HA ASP 69 6.298 -8.028 3.422 545 HB2 ASP 69 2HB ASP 69 8.042 -9.541 4.395 546 HB3 ASP 69 3HB ASP 69 8.999 -8.139 4.850 547 H SER 70 H SER 70 6.592 -5.837 1.981 548 HA SER 70 HA SER 70 6.313 -3.688 3.869 549 HB2 SER 70 2HB SER 70 8.116 -2.258 2.819 550 HB3 SER 70 3HB SER 70 8.740 -3.650 3.701 551 HG SER 70 HG SER 70 9.173 -4.674 1.798 552 H ILE 71 H ILE 71 4.955 -2.204 3.098 553 HA ILE 71 HA ILE 71 4.436 -1.949 0.186 554 HB ILE 71 HB ILE 71 2.409 -1.758 2.491 555 HG12 ILE 71 2HG1 ILE 71 2.640 -3.833 0.253 556 HG13 ILE 71 3HG1 ILE 71 3.045 -4.104 1.941 557 HG21 ILE 71 1HG2 ILE 71 0.688 -1.421 0.736 558 HG22 ILE 71 2HG2 ILE 71 1.950 -1.367 -0.495 559 HG23 ILE 71 3HG2 ILE 71 1.873 -0.113 0.746 560 HD11 ILE 71 3HD1 ILE 71 0.924 -5.085 1.396 561 HD12 ILE 71 1HD1 ILE 71 0.299 -3.530 0.848 562 HD13 ILE 71 2HD1 ILE 71 0.701 -3.772 2.551 563 H THR 72 H THR 72 5.394 0.019 -0.338 564 HA THR 72 HA THR 72 5.508 2.152 1.683 565 HB THR 72 HB THR 72 7.023 1.851 -0.965 566 HG1 THR 72 HG1 THR 72 7.486 0.237 0.729 567 HG21 THR 72 3HG2 THR 72 8.541 3.559 -0.044 568 HG22 THR 72 1HG2 THR 72 7.538 3.696 1.403 569 HG23 THR 72 2HG2 THR 72 6.901 4.195 -0.167 570 H VAL 73 H VAL 73 3.870 3.626 1.467 571 HA VAL 73 HA VAL 73 2.509 3.994 -1.149 572 HB VAL 73 HB VAL 73 1.372 4.392 1.676 573 HG11 VAL 73 1HG1 VAL 73 -0.811 4.731 0.592 574 HG12 VAL 73 2HG1 VAL 73 -0.061 4.592 -1.000 575 HG13 VAL 73 3HG1 VAL 73 0.356 5.942 0.057 576 HG21 VAL 73 3HG2 VAL 73 -0.041 2.423 1.255 577 HG22 VAL 73 1HG2 VAL 73 1.669 1.998 1.168 578 HG23 VAL 73 2HG2 VAL 73 0.731 2.182 -0.315 579 H THR 74 H THR 74 2.233 6.113 -1.842 580 HA THR 74 HA THR 74 3.488 8.296 -0.271 581 HB THR 74 HB THR 74 3.123 8.120 -3.300 582 HG1 THR 74 HG1 THR 74 4.701 6.639 -2.416 583 HG21 THR 74 3HG2 THR 74 3.201 10.452 -2.476 584 HG22 THR 74 1HG2 THR 74 4.659 10.050 -3.386 585 HG23 THR 74 2HG2 THR 74 4.706 10.103 -1.622 586 H LYS 75 H LYS 75 2.356 10.258 -0.135 587 HA LYS 75 HA LYS 75 -0.556 10.128 -0.496 588 HB2 LYS 75 2HB LYS 75 -0.683 11.996 1.066 589 HB3 LYS 75 3HB LYS 75 0.396 10.784 1.748 590 HG2 LYS 75 2HG LYS 75 2.347 12.137 0.927 591 HG3 LYS 75 3HG LYS 75 1.206 13.364 0.382 592 HD2 LYS 75 2HD LYS 75 2.125 14.062 2.502 593 HD3 LYS 75 3HD LYS 75 0.431 13.648 2.744 594 HE2 LYS 75 2HE LYS 75 1.024 11.563 3.800 595 HE3 LYS 75 3HE LYS 75 2.723 11.757 3.362 596 HZ1 LYS 75 3HZ LYS 75 2.862 13.669 4.820 597 HZ2 LYS 75 1HZ LYS 75 2.309 12.325 5.685 598 HZ3 LYS 75 2HZ LYS 75 1.222 13.538 5.222 599 H GLU 76 H GLU 76 -1.699 11.921 -1.462 600 HA GLU 76 HA GLU 76 -0.678 12.665 -3.990 601 HB2 GLU 76 2HB GLU 76 -3.092 13.803 -2.523 602 HB3 GLU 76 3HB GLU 76 -2.765 13.988 -4.244 603 HG2 GLU 76 2HG GLU 76 -2.970 11.548 -4.560 604 HG3 GLU 76 3HG GLU 76 -3.281 11.348 -2.834 605 H ASN 77 H ASN 77 -1.020 14.475 -1.009 606 HA ASN 77 HA ASN 77 0.894 16.510 -1.819 607 HB2 ASN 77 2HB ASN 77 -0.695 18.388 -1.212 608 HB3 ASN 77 3HB ASN 77 -1.146 17.529 -2.684 609 HD21 ASN 77 1HD2 ASN 77 -2.987 16.179 -2.654 610 HD22 ASN 77 2HD2 ASN 77 -4.177 16.292 -1.406 611 H GLU 78 H GLU 78 1.384 17.963 0.019 612 HA GLU 78 HA GLU 78 2.019 16.346 2.287 613 HB2 GLU 78 2HB GLU 78 2.496 19.320 1.840 614 HB3 GLU 78 3HB GLU 78 3.269 18.320 3.070 615 HG2 GLU 78 2HG GLU 78 4.347 16.966 1.302 616 HG3 GLU 78 3HG GLU 78 3.568 17.963 0.074 617 H GLU 79 H GLU 79 -0.673 18.303 1.616 618 HA GLU 79 HA GLU 79 -1.265 19.281 4.248 619 HB2 GLU 79 2HB GLU 79 -3.331 18.860 2.054 620 HB3 GLU 79 3HB GLU 79 -3.346 20.047 3.348 621 HG2 GLU 79 2HG GLU 79 -1.570 20.048 0.897 622 HG3 GLU 79 3HG GLU 79 -2.907 21.142 1.230 623 H LEU 80 H LEU 80 -1.513 16.247 2.733 624 HA LEU 80 HA LEU 80 -3.699 15.169 4.312 625 HB2 LEU 80 2HB LEU 80 -1.729 13.870 2.384 626 HB3 LEU 80 3HB LEU 80 -3.120 13.061 3.097 627 HG LEU 80 HG LEU 80 -3.357 15.501 1.302 628 HD11 LEU 80 1HD1 LEU 80 -3.569 12.579 0.561 629 HD12 LEU 80 2HD1 LEU 80 -2.341 13.724 0.018 630 HD13 LEU 80 3HD1 LEU 80 -4.017 13.930 -0.485 631 HD21 LEU 80 3HD2 LEU 80 -5.706 14.843 1.110 632 HD22 LEU 80 1HD2 LEU 80 -5.272 15.147 2.792 633 HD23 LEU 80 2HD2 LEU 80 -5.433 13.487 2.208 634 H ASP 81 H ASP 81 -3.353 14.474 6.291 635 HA ASP 81 HA ASP 81 -0.722 13.553 7.222 636 HB2 ASP 81 2HB ASP 81 -2.319 14.983 8.658 637 HB3 ASP 81 3HB ASP 81 -3.341 13.558 8.808 638 H TRP 82 H TRP 82 -0.364 11.375 7.906 639 HA TRP 82 HA TRP 82 -1.595 9.432 6.237 640 HB2 TRP 82 2HB TRP 82 0.486 9.193 8.430 641 HB3 TRP 82 3HB TRP 82 -0.176 7.760 7.650 642 HD1 TRP 82 HD1 TRP 82 2.600 10.144 7.275 643 HE1 TRP 82 HE1 TRP 82 3.684 9.922 4.955 644 HE3 TRP 82 HE3 TRP 82 -1.003 7.355 4.957 645 HZ2 TRP 82 HZ2 TRP 82 3.090 8.719 2.472 646 HZ3 TRP 82 HZ3 TRP 82 -0.672 6.715 2.606 647 HH2 TRP 82 HH2 TRP 82 1.333 7.386 1.392 648 H ASN 83 H ASN 83 -2.353 10.481 9.469 649 HA ASN 83 HA ASN 83 -3.643 8.145 10.450 650 HB2 ASN 83 2HB ASN 83 -4.103 11.069 11.201 651 HB3 ASN 83 3HB ASN 83 -4.792 9.699 12.070 652 HD21 ASN 83 1HD2 ASN 83 -3.000 11.763 13.030 653 HD22 ASN 83 2HD2 ASN 83 -1.596 10.958 13.636 654 H LEU 84 H LEU 84 -4.635 10.459 8.097 655 HA LEU 84 HA LEU 84 -7.471 10.078 8.201 656 HB2 LEU 84 2HB LEU 84 -5.700 10.862 5.835 657 HB3 LEU 84 3HB LEU 84 -7.444 11.051 5.905 658 HG LEU 84 HG LEU 84 -5.445 12.554 7.647 659 HD11 LEU 84 1HD1 LEU 84 -7.060 13.534 5.269 660 HD12 LEU 84 2HD1 LEU 84 -5.314 13.277 5.314 661 HD13 LEU 84 3HD1 LEU 84 -6.040 14.535 6.309 662 HD21 LEU 84 3HD2 LEU 84 -7.372 13.922 8.359 663 HD22 LEU 84 1HD2 LEU 84 -7.561 12.233 8.828 664 HD23 LEU 84 2HD2 LEU 84 -8.459 12.870 7.449 665 H LEU 85 H LEU 85 -4.763 8.551 6.550 666 HA LEU 85 HA LEU 85 -6.410 6.801 4.913 667 HB2 LEU 85 2HB LEU 85 -3.372 7.000 5.167 668 HB3 LEU 85 3HB LEU 85 -4.237 6.021 4.000 669 HG LEU 85 HG LEU 85 -5.257 8.316 3.189 670 HD11 LEU 85 1HD1 LEU 85 -4.407 9.713 4.989 671 HD12 LEU 85 2HD1 LEU 85 -3.810 10.252 3.423 672 HD13 LEU 85 3HD1 LEU 85 -2.745 9.354 4.511 673 HD21 LEU 85 3HD2 LEU 85 -2.398 7.545 2.573 674 HD22 LEU 85 1HD2 LEU 85 -3.418 8.593 1.583 675 HD23 LEU 85 2HD2 LEU 85 -3.852 6.903 1.812 676 H LYS 86 H LYS 86 -4.181 6.487 7.689 677 HA LYS 86 HA LYS 86 -3.403 3.900 7.597 678 HB2 LYS 86 2HB LYS 86 -3.959 5.587 10.059 679 HB3 LYS 86 3HB LYS 86 -3.267 3.975 10.182 680 HG2 LYS 86 2HG LYS 86 -1.295 4.660 8.945 681 HG3 LYS 86 3HG LYS 86 -2.001 6.249 8.625 682 HD2 LYS 86 2HD LYS 86 -2.083 6.655 11.113 683 HD3 LYS 86 3HD LYS 86 -1.228 5.129 11.352 684 HE2 LYS 86 2HE LYS 86 0.725 5.996 10.165 685 HE3 LYS 86 3HE LYS 86 -0.148 7.479 9.770 686 HZ1 LYS 86 3HZ LYS 86 -0.297 7.971 12.154 687 HZ2 LYS 86 1HZ LYS 86 1.308 7.845 11.641 688 HZ3 LYS 86 2HZ LYS 86 0.600 6.581 12.511 689 HA PRO 87 HA PRO 87 -7.239 2.230 10.297 690 HB2 PRO 87 2HB PRO 87 -9.375 4.145 9.307 691 HB3 PRO 87 3HB PRO 87 -9.199 3.373 10.901 692 HG2 PRO 87 2HG PRO 87 -8.583 5.922 10.629 693 HG3 PRO 87 3HG PRO 87 -7.532 4.858 11.600 694 HD2 PRO 87 2HD PRO 87 -7.121 5.857 8.775 695 HD3 PRO 87 3HD PRO 87 -5.951 5.742 10.113 696 H ASP 88 H ASP 88 -7.851 3.779 7.136 697 HA ASP 88 HA ASP 88 -9.478 1.638 6.123 698 HB2 ASP 88 2HB ASP 88 -9.426 4.159 5.370 699 HB3 ASP 88 3HB ASP 88 -8.072 3.684 4.352 700 H ILE 89 H ILE 89 -6.044 2.532 5.960 701 HA ILE 89 HA ILE 89 -5.204 0.694 3.965 702 HB ILE 89 HB ILE 89 -3.629 2.046 6.213 703 HG12 ILE 89 2HG1 ILE 89 -3.845 2.644 3.222 704 HG13 ILE 89 3HG1 ILE 89 -4.539 3.602 4.522 705 HG21 ILE 89 1HG2 ILE 89 -2.491 0.442 3.888 706 HG22 ILE 89 2HG2 ILE 89 -2.439 -0.020 5.590 707 HG23 ILE 89 3HG2 ILE 89 -1.547 1.396 5.036 708 HD11 ILE 89 3HD1 ILE 89 -2.279 4.160 5.296 709 HD12 ILE 89 1HD1 ILE 89 -2.580 4.669 3.635 710 HD13 ILE 89 2HD1 ILE 89 -1.604 3.235 3.950 711 H TYR 90 H TYR 90 -5.141 0.468 7.549 712 HA TYR 90 HA TYR 90 -4.116 -2.138 7.758 713 HB2 TYR 90 2HB TYR 90 -6.016 -0.719 9.674 714 HB3 TYR 90 3HB TYR 90 -5.098 -2.172 10.052 715 HD1 TYR 90 HD2 TYR 90 -2.382 -1.537 9.009 716 HD2 TYR 90 HD1 TYR 90 -5.160 0.960 11.088 717 HE1 TYR 90 HE2 TYR 90 -0.520 -0.174 9.869 718 HE2 TYR 90 HE1 TYR 90 -3.300 2.317 11.945 719 HH TYR 90 HH TYR 90 -0.908 2.129 12.370 720 H ALA 91 H ALA 91 -7.479 -0.972 7.728 721 HA ALA 91 HA ALA 91 -8.848 -3.378 8.061 722 HB1 ALA 91 3HB ALA 91 -9.716 -0.928 6.493 723 HB2 ALA 91 1HB ALA 91 -9.913 -1.170 8.229 724 HB3 ALA 91 2HB ALA 91 -10.787 -2.198 7.091 725 H THR 92 H THR 92 -7.935 -1.733 5.040 726 HA THR 92 HA THR 92 -9.159 -3.505 3.213 727 HB THR 92 HB THR 92 -6.957 -1.424 2.849 728 HG1 THR 92 HG1 THR 92 -8.603 -0.106 2.860 729 HG21 THR 92 3HG2 THR 92 -8.580 -2.810 0.676 730 HG22 THR 92 1HG2 THR 92 -6.846 -3.001 0.946 731 HG23 THR 92 2HG2 THR 92 -7.491 -1.442 0.436 732 H ILE 93 H ILE 93 -5.745 -3.273 4.300 733 HA ILE 93 HA ILE 93 -4.792 -5.356 2.581 734 HB ILE 93 HB ILE 93 -3.472 -4.172 5.070 735 HG12 ILE 93 2HG1 ILE 93 -3.041 -3.568 2.101 736 HG13 ILE 93 3HG1 ILE 93 -3.890 -2.526 3.234 737 HG21 ILE 93 1HG2 ILE 93 -2.222 -5.919 2.904 738 HG22 ILE 93 2HG2 ILE 93 -2.515 -6.401 4.576 739 HG23 ILE 93 3HG2 ILE 93 -1.345 -5.131 4.218 740 HD11 ILE 93 3HD1 ILE 93 -1.663 -1.714 2.787 741 HD12 ILE 93 1HD1 ILE 93 -0.966 -3.239 3.334 742 HD13 ILE 93 2HD1 ILE 93 -1.815 -2.195 4.476 743 H MET 94 H MET 94 -5.774 -5.316 6.035 744 HA MET 94 HA MET 94 -5.272 -8.071 6.537 745 HB2 MET 94 2HB MET 94 -7.204 -6.160 7.921 746 HB3 MET 94 3HB MET 94 -6.894 -7.800 8.477 747 HG2 MET 94 2HG MET 94 -4.476 -7.194 8.751 748 HG3 MET 94 3HG MET 94 -4.895 -5.530 8.340 749 HE1 MET 94 3HE MET 94 -7.763 -5.178 9.829 750 HE2 MET 94 1HE MET 94 -6.484 -3.964 9.901 751 HE3 MET 94 2HE MET 94 -7.233 -4.545 11.387 752 H ASP 95 H ASP 95 -8.096 -6.357 5.254 753 HA ASP 95 HA ASP 95 -9.884 -8.544 5.044 754 HB2 ASP 95 2HB ASP 95 -10.657 -6.215 4.879 755 HB3 ASP 95 3HB ASP 95 -9.727 -5.967 3.409 756 H PHE 96 H PHE 96 -7.380 -7.308 2.905 757 HA PHE 96 HA PHE 96 -7.925 -8.799 0.578 758 HB2 PHE 96 2HB PHE 96 -6.426 -6.849 0.581 759 HB3 PHE 96 3HB PHE 96 -5.284 -7.686 1.623 760 HD1 PHE 96 HD2 PHE 96 -6.821 -7.745 -1.779 761 HD2 PHE 96 HD1 PHE 96 -3.569 -9.070 0.669 762 HE1 PHE 96 HE2 PHE 96 -5.653 -8.586 -3.766 763 HE2 PHE 96 HE1 PHE 96 -2.414 -9.911 -1.334 764 HZ PHE 96 HZ PHE 96 -3.461 -9.668 -3.548 765 H PHE 97 H PHE 97 -5.747 -9.440 3.290 766 HA PHE 97 HA PHE 97 -4.968 -12.073 2.387 767 HB2 PHE 97 2HB PHE 97 -4.519 -10.564 4.984 768 HB3 PHE 97 3HB PHE 97 -4.002 -12.235 4.786 769 HD1 PHE 97 HD2 PHE 97 -2.158 -12.819 3.245 770 HD2 PHE 97 HD1 PHE 97 -3.323 -8.742 3.795 771 HE1 PHE 97 HE2 PHE 97 -0.053 -12.072 2.217 772 HE2 PHE 97 HE1 PHE 97 -1.216 -8.007 2.757 773 HZ PHE 97 HZ PHE 97 0.417 -9.674 1.972 774 H ALA 98 H ALA 98 -7.541 -10.814 4.400 775 HA ALA 98 HA ALA 98 -8.433 -13.317 5.490 776 HB1 ALA 98 3HB ALA 98 -10.499 -12.097 6.064 777 HB2 ALA 98 1HB ALA 98 -9.986 -10.729 5.068 778 HB3 ALA 98 2HB ALA 98 -9.070 -11.169 6.510 779 H SER 99 H SER 99 -9.006 -11.567 2.493 780 HA SER 99 HA SER 99 -11.052 -13.362 1.482 781 HB2 SER 99 2HB SER 99 -9.320 -11.293 0.035 782 HB3 SER 99 3HB SER 99 -10.722 -12.119 -0.651 783 HG SER 99 HG SER 99 -10.618 -9.923 0.915 784 H GLY 100 H GLY 100 -7.587 -13.083 1.524 785 HA2 GLY 100 2HA GLY 100 -5.895 -14.480 0.924 786 HA3 GLY 100 3HA GLY 100 -7.093 -15.726 0.615 787 H LEU 101 H LEU 101 -7.036 -12.574 -0.941 788 HA LEU 101 HA LEU 101 -7.117 -13.663 -3.591 789 HB2 LEU 101 2HB LEU 101 -6.595 -10.800 -2.700 790 HB3 LEU 101 3HB LEU 101 -6.966 -11.291 -4.342 791 HG LEU 101 HG LEU 101 -8.852 -11.423 -1.962 792 HD11 LEU 101 1HD1 LEU 101 -10.129 -9.689 -3.148 793 HD12 LEU 101 2HD1 LEU 101 -8.897 -9.629 -4.410 794 HD13 LEU 101 3HD1 LEU 101 -8.499 -9.141 -2.760 795 HD21 LEU 101 3HD2 LEU 101 -9.375 -12.221 -4.842 796 HD22 LEU 101 1HD2 LEU 101 -10.586 -12.132 -3.558 797 HD23 LEU 101 2HD2 LEU 101 -9.282 -13.311 -3.457 798 HA PRO 102 HA PRO 102 -2.656 -13.916 -4.510 799 HB2 PRO 102 2HB PRO 102 -3.346 -12.976 -7.278 800 HB3 PRO 102 3HB PRO 102 -2.549 -14.477 -6.764 801 HG2 PRO 102 2HG PRO 102 -5.076 -14.458 -7.676 802 HG3 PRO 102 3HG PRO 102 -4.550 -15.592 -6.405 803 HD2 PRO 102 2HD PRO 102 -6.155 -13.064 -6.147 804 HD3 PRO 102 3HD PRO 102 -6.310 -14.598 -5.261 805 H LEU 103 H LEU 103 -1.136 -12.398 -4.071 806 HA LEU 103 HA LEU 103 -1.604 -9.669 -3.801 807 HB2 LEU 103 2HB LEU 103 0.230 -11.178 -2.778 808 HB3 LEU 103 3HB LEU 103 1.135 -10.920 -4.253 809 HG LEU 103 HG LEU 103 1.868 -9.503 -2.309 810 HD11 LEU 103 1HD1 LEU 103 0.885 -7.825 -4.621 811 HD12 LEU 103 2HD1 LEU 103 2.370 -8.776 -4.600 812 HD13 LEU 103 3HD1 LEU 103 2.179 -7.427 -3.485 813 HD21 LEU 103 3HD2 LEU 103 0.540 -7.587 -1.573 814 HD22 LEU 103 1HD2 LEU 103 -0.309 -9.100 -1.258 815 HD23 LEU 103 2HD2 LEU 103 -0.795 -8.082 -2.616 816 H VAL 104 H VAL 104 -0.130 -11.469 -6.475 817 HA VAL 104 HA VAL 104 -0.424 -9.108 -8.256 818 HB VAL 104 HB VAL 104 1.577 -11.418 -8.515 819 HG11 VAL 104 1HG1 VAL 104 2.555 -10.119 -10.372 820 HG12 VAL 104 2HG1 VAL 104 1.281 -8.906 -10.213 821 HG13 VAL 104 3HG1 VAL 104 0.879 -10.553 -10.712 822 HG21 VAL 104 3HG2 VAL 104 3.319 -9.761 -7.981 823 HG22 VAL 104 1HG2 VAL 104 2.164 -9.911 -6.656 824 HG23 VAL 104 2HG2 VAL 104 2.088 -8.520 -7.739 825 H THR 105 H THR 105 -1.703 -9.361 -10.017 826 HA THR 105 HA THR 105 -2.942 -11.966 -10.585 827 HB THR 105 HB THR 105 -4.372 -10.474 -12.193 828 HG1 THR 105 HG1 THR 105 -3.426 -8.528 -12.296 829 HG21 THR 105 3HG2 THR 105 -5.817 -9.705 -10.345 830 HG22 THR 105 1HG2 THR 105 -4.507 -9.985 -9.199 831 HG23 THR 105 2HG2 THR 105 -5.243 -11.351 -10.045 832 H GLU 106 H GLU 106 -1.278 -9.322 -12.400 833 HA GLU 106 HA GLU 106 0.364 -11.343 -13.718 834 HB2 GLU 106 2HB GLU 106 0.054 -10.605 -15.989 835 HB3 GLU 106 3HB GLU 106 -1.536 -10.963 -15.347 836 HG2 GLU 106 2HG GLU 106 -0.432 -8.146 -15.505 837 HG3 GLU 106 3HG GLU 106 -1.319 -8.899 -16.824 838 H GLU 107 H GLU 107 2.265 -10.363 -14.797 839 HA GLU 107 HA GLU 107 3.227 -8.026 -13.310 840 HB2 GLU 107 2HB GLU 107 5.451 -8.633 -14.078 841 HB3 GLU 107 3HB GLU 107 4.652 -10.057 -13.426 842 HG2 GLU 107 2HG GLU 107 4.194 -10.849 -15.735 843 HG3 GLU 107 3HG GLU 107 5.006 -9.420 -16.373 Start of MODEL 2 1 H1 MET 1 1H MET 1 12.180 -29.013 3.422 2 H2 MET 1 2H MET 1 11.265 -28.258 2.220 3 H3 MET 1 3H MET 1 10.700 -28.287 3.811 4 HA MET 1 HA MET 1 12.520 -26.916 4.531 5 HB2 MET 1 2HB MET 1 13.256 -26.816 1.568 6 HB3 MET 1 3HB MET 1 14.022 -25.864 2.837 7 HG2 MET 1 2HG MET 1 14.112 -28.878 2.560 8 HG3 MET 1 3HG MET 1 15.428 -27.751 2.219 9 HE1 MET 1 3HE MET 1 16.640 -29.628 5.468 10 HE2 MET 1 1HE MET 1 17.169 -29.032 3.896 11 HE3 MET 1 2HE MET 1 15.882 -30.235 3.995 12 H GLY 2 H GLY 2 12.501 -24.526 4.308 13 HA2 GLY 2 2HA GLY 2 11.370 -22.535 4.114 14 HA3 GLY 2 3HA GLY 2 10.572 -23.185 2.688 15 H HIS 3 H HIS 3 10.455 -24.669 5.881 16 HA HIS 3 HA HIS 3 7.566 -24.818 5.670 17 HB2 HIS 3 2HB HIS 3 9.006 -26.782 6.350 18 HB3 HIS 3 3HB HIS 3 9.348 -25.952 7.862 19 HD1 HIS 3 HD1 HIS 3 6.733 -27.883 6.075 20 HD2 HIS 3 HD2 HIS 3 7.144 -25.906 9.711 21 HE1 HIS 3 HE1 HIS 3 4.783 -28.627 7.470 22 HE2 HIS 3 HE2 HIS 3 5.018 -27.376 9.632 23 H HIS 4 H HIS 4 7.030 -22.626 5.964 24 HA HIS 4 HA HIS 4 7.331 -21.339 8.539 25 HB2 HIS 4 2HB HIS 4 5.319 -20.787 6.307 26 HB3 HIS 4 3HB HIS 4 5.643 -19.737 7.685 27 HD1 HIS 4 HD1 HIS 4 6.865 -20.615 4.309 28 HD2 HIS 4 HD2 HIS 4 8.193 -18.385 7.556 29 HE1 HIS 4 HE1 HIS 4 8.745 -19.210 3.433 30 HE2 HIS 4 HE2 HIS 4 9.593 -17.946 5.432 31 H HIS 5 H HIS 5 5.789 -21.297 10.193 32 HA HIS 5 HA HIS 5 4.050 -23.484 10.605 33 HB2 HIS 5 2HB HIS 5 4.105 -20.746 11.955 34 HB3 HIS 5 3HB HIS 5 3.158 -22.120 12.523 35 HD1 HIS 5 HD1 HIS 5 6.625 -20.765 12.466 36 HD2 HIS 5 HD2 HIS 5 4.674 -24.222 13.704 37 HE1 HIS 5 HE1 HIS 5 8.296 -22.030 13.841 38 HE2 HIS 5 HE2 HIS 5 7.108 -24.122 14.562 39 H HIS 6 H HIS 6 3.431 -20.132 9.613 40 HA HIS 6 HA HIS 6 1.819 -19.089 8.468 41 HB2 HIS 6 2HB HIS 6 2.656 -20.530 6.648 42 HB3 HIS 6 3HB HIS 6 1.513 -21.792 7.087 43 HD1 HIS 6 HD1 HIS 6 -0.895 -21.529 6.297 44 HD2 HIS 6 HD2 HIS 6 1.482 -18.269 5.321 45 HE1 HIS 6 HE1 HIS 6 -2.243 -20.180 4.684 46 HE2 HIS 6 HE2 HIS 6 -0.889 -18.113 4.300 47 H HIS 7 H HIS 7 0.633 -18.851 10.412 48 HA HIS 7 HA HIS 7 -2.129 -19.768 10.132 49 HB2 HIS 7 2HB HIS 7 -2.374 -20.401 12.479 50 HB3 HIS 7 3HB HIS 7 -1.067 -21.349 11.781 51 HD1 HIS 7 HD1 HIS 7 -1.847 -19.095 14.568 52 HD2 HIS 7 HD2 HIS 7 1.594 -20.426 12.643 53 HE1 HIS 7 HE1 HIS 7 0.049 -18.577 16.133 54 HE2 HIS 7 HE2 HIS 7 2.120 -19.331 14.926 55 H HIS 8 H HIS 8 -3.634 -18.373 11.349 56 HA HIS 8 HA HIS 8 -2.868 -15.634 11.195 57 HB2 HIS 8 2HB HIS 8 -5.112 -15.069 11.872 58 HB3 HIS 8 3HB HIS 8 -5.213 -16.447 10.787 59 HD1 HIS 8 HD1 HIS 8 -5.877 -15.399 14.302 60 HD2 HIS 8 HD2 HIS 8 -6.113 -18.851 12.005 61 HE1 HIS 8 HE1 HIS 8 -7.252 -17.012 15.645 62 HE2 HIS 8 HE2 HIS 8 -7.435 -19.064 14.214 63 H SER 9 H SER 9 -2.277 -14.233 12.731 64 HA SER 9 HA SER 9 -2.064 -15.038 15.572 65 HB2 SER 9 2HB SER 9 0.131 -15.426 14.374 66 HB3 SER 9 3HB SER 9 0.150 -13.730 13.904 67 HG SER 9 HG SER 9 1.386 -13.879 15.705 68 H HIS 10 H HIS 10 -1.066 -12.650 16.610 69 HA HIS 10 HA HIS 10 -3.064 -10.656 15.965 70 HB2 HIS 10 2HB HIS 10 -0.625 -10.553 17.789 71 HB3 HIS 10 3HB HIS 10 -1.735 -9.199 17.581 72 HD1 HIS 10 HD1 HIS 10 -1.149 -11.821 19.876 73 HD2 HIS 10 HD2 HIS 10 -4.590 -10.249 18.156 74 HE1 HIS 10 HE1 HIS 10 -3.031 -12.488 21.393 75 HE2 HIS 10 HE2 HIS 10 -5.104 -11.705 20.222 76 H MET 11 H MET 11 -2.675 -10.540 13.731 77 HA MET 11 HA MET 11 -0.197 -9.627 12.587 78 HB2 MET 11 2HB MET 11 -1.673 -11.165 11.364 79 HB3 MET 11 3HB MET 11 -2.997 -10.013 11.428 80 HG2 MET 11 2HG MET 11 -0.426 -9.367 9.980 81 HG3 MET 11 3HG MET 11 -1.723 -10.282 9.211 82 HE1 MET 11 3HE MET 11 -2.277 -6.862 7.445 83 HE2 MET 11 1HE MET 11 -2.191 -8.612 7.241 84 HE3 MET 11 2HE MET 11 -0.764 -7.712 7.760 85 H PHE 12 H PHE 12 0.336 -7.680 13.370 86 HA PHE 12 HA PHE 12 -1.495 -5.394 12.959 87 HB2 PHE 12 2HB PHE 12 -0.101 -4.147 14.547 88 HB3 PHE 12 3HB PHE 12 -0.649 -5.640 15.288 89 HD1 PHE 12 HD2 PHE 12 0.991 -7.561 15.568 90 HD2 PHE 12 HD1 PHE 12 2.275 -3.667 14.336 91 HE1 PHE 12 HE2 PHE 12 3.305 -8.128 16.173 92 HE2 PHE 12 HE1 PHE 12 4.593 -4.249 14.945 93 HZ PHE 12 HZ PHE 12 5.105 -6.479 15.863 94 H ILE 13 H ILE 13 -0.803 -3.668 11.739 95 HA ILE 13 HA ILE 13 1.502 -4.096 9.958 96 HB ILE 13 HB ILE 13 -0.818 -2.128 9.669 97 HG12 ILE 13 2HG1 ILE 13 -0.397 -4.801 8.238 98 HG13 ILE 13 3HG1 ILE 13 -1.587 -4.497 9.496 99 HG21 ILE 13 1HG2 ILE 13 1.225 -1.365 8.515 100 HG22 ILE 13 2HG2 ILE 13 -0.014 -1.818 7.347 101 HG23 ILE 13 3HG2 ILE 13 1.338 -2.907 7.659 102 HD11 ILE 13 3HD1 ILE 13 -2.713 -2.888 8.034 103 HD12 ILE 13 1HD1 ILE 13 -2.620 -4.501 7.328 104 HD13 ILE 13 2HD1 ILE 13 -1.535 -3.233 6.762 105 H GLN 14 H GLN 14 3.302 -2.959 10.425 106 HA GLN 14 HA GLN 14 3.152 -0.715 12.360 107 HB2 GLN 14 2HB GLN 14 5.512 -1.240 12.905 108 HB3 GLN 14 3HB GLN 14 4.460 -2.620 13.185 109 HG2 GLN 14 2HG GLN 14 5.212 -3.622 11.057 110 HG3 GLN 14 3HG GLN 14 6.285 -2.244 10.798 111 HE21 GLN 14 1HE2 GLN 14 8.162 -2.058 12.099 112 HE22 GLN 14 2HE2 GLN 14 8.773 -3.387 13.017 113 H THR 15 H THR 15 4.627 1.063 12.008 114 HA THR 15 HA THR 15 4.872 1.686 9.120 115 HB THR 15 HB THR 15 4.518 4.073 9.843 116 HG1 THR 15 HG1 THR 15 5.158 3.597 12.110 117 HG21 THR 15 3HG2 THR 15 2.303 2.152 10.669 118 HG22 THR 15 1HG2 THR 15 2.604 2.740 9.028 119 HG23 THR 15 2HG2 THR 15 2.099 3.863 10.288 120 H GLN 16 H GLN 16 6.811 2.238 8.352 121 HA GLN 16 HA GLN 16 9.037 2.795 10.221 122 HB2 GLN 16 2HB GLN 16 9.208 0.558 9.123 123 HB3 GLN 16 3HB GLN 16 9.170 1.331 7.542 124 HG2 GLN 16 2HG GLN 16 11.294 2.453 7.997 125 HG3 GLN 16 3HG GLN 16 11.314 1.803 9.640 126 HE21 GLN 16 1HE2 GLN 16 11.769 -0.423 9.927 127 HE22 GLN 16 2HE2 GLN 16 12.528 -1.356 8.690 128 H ASP 17 H ASP 17 10.330 4.474 9.720 129 HA ASP 17 HA ASP 17 9.146 6.579 8.155 130 HB2 ASP 17 2HB ASP 17 11.705 6.484 9.816 131 HB3 ASP 17 3HB ASP 17 11.011 7.949 9.121 132 H THR 18 H THR 18 10.021 7.647 6.428 133 HA THR 18 HA THR 18 12.272 6.422 4.943 134 HB THR 18 HB THR 18 10.985 6.752 2.819 135 HG1 THR 18 HG1 THR 18 8.920 7.537 4.600 136 HG21 THR 18 3HG2 THR 18 9.463 5.012 4.793 137 HG22 THR 18 1HG2 THR 18 10.851 4.511 3.820 138 HG23 THR 18 2HG2 THR 18 9.329 4.932 3.036 139 HA PRO 19 HA PRO 19 14.231 10.436 4.570 140 HB2 PRO 19 2HB PRO 19 13.803 10.140 1.576 141 HB3 PRO 19 3HB PRO 19 15.260 10.669 2.453 142 HG2 PRO 19 2HG PRO 19 15.116 8.184 1.557 143 HG3 PRO 19 3HG PRO 19 15.786 8.502 3.175 144 HD2 PRO 19 2HD PRO 19 13.137 7.320 2.431 145 HD3 PRO 19 3HD PRO 19 14.147 7.026 3.863 146 H ASN 20 H ASN 20 11.462 10.166 2.316 147 HA ASN 20 HA ASN 20 10.703 12.979 2.802 148 HB2 ASN 20 2HB ASN 20 9.672 10.984 0.725 149 HB3 ASN 20 3HB ASN 20 9.078 12.634 0.914 150 HD21 ASN 20 1HD2 ASN 20 10.405 14.367 0.255 151 HD22 ASN 20 2HD2 ASN 20 11.815 14.139 -0.720 152 HA PRO 21 HA PRO 21 7.599 11.330 5.739 153 HB2 PRO 21 2HB PRO 21 6.300 13.724 6.229 154 HB3 PRO 21 3HB PRO 21 7.847 13.280 6.972 155 HG2 PRO 21 2HG PRO 21 7.352 15.021 4.578 156 HG3 PRO 21 3HG PRO 21 8.442 15.292 5.959 157 HD2 PRO 21 2HD PRO 21 9.374 14.382 3.599 158 HD3 PRO 21 3HD PRO 21 10.063 13.822 5.141 159 H ASN 22 H ASN 22 7.004 12.743 2.641 160 HA ASN 22 HA ASN 22 4.159 12.428 2.560 161 HB2 ASN 22 2HB ASN 22 6.250 12.775 0.381 162 HB3 ASN 22 3HB ASN 22 4.552 12.505 -0.004 163 HD21 ASN 22 1HD2 ASN 22 6.074 14.829 -0.670 164 HD22 ASN 22 2HD2 ASN 22 5.322 16.175 0.107 165 H SER 23 H SER 23 6.787 10.243 2.337 166 HA SER 23 HA SER 23 4.966 8.050 1.487 167 HB2 SER 23 2HB SER 23 7.159 6.793 1.011 168 HB3 SER 23 3HB SER 23 6.804 8.145 -0.062 169 HG SER 23 HG SER 23 8.356 8.610 2.225 170 H LEU 24 H LEU 24 4.707 6.328 2.842 171 HA LEU 24 HA LEU 24 6.372 6.050 5.258 172 HB2 LEU 24 2HB LEU 24 4.290 7.327 5.865 173 HB3 LEU 24 3HB LEU 24 3.319 5.989 5.277 174 HG LEU 24 HG LEU 24 4.252 4.529 7.074 175 HD11 LEU 24 1HD1 LEU 24 5.698 7.018 8.039 176 HD12 LEU 24 2HD1 LEU 24 6.442 5.559 7.379 177 HD13 LEU 24 3HD1 LEU 24 5.579 5.486 8.911 178 HD21 LEU 24 3HD2 LEU 24 2.144 5.712 7.459 179 HD22 LEU 24 1HD2 LEU 24 3.013 7.116 8.087 180 HD23 LEU 24 2HD2 LEU 24 3.055 5.582 8.960 181 H LYS 25 H LYS 25 6.807 3.956 5.750 182 HA LYS 25 HA LYS 25 5.997 1.920 3.802 183 HB2 LYS 25 2HB LYS 25 8.396 2.245 4.311 184 HB3 LYS 25 3HB LYS 25 8.102 1.861 6.005 185 HG2 LYS 25 2HG LYS 25 7.447 -0.435 5.395 186 HG3 LYS 25 3HG LYS 25 7.687 -0.071 3.684 187 HD2 LYS 25 2HD LYS 25 9.858 0.049 5.813 188 HD3 LYS 25 3HD LYS 25 9.616 -1.303 4.706 189 HE2 LYS 25 2HE LYS 25 10.202 0.046 2.800 190 HE3 LYS 25 3HE LYS 25 10.157 1.528 3.763 191 HZ1 LYS 25 3HZ LYS 25 12.415 0.779 3.358 192 HZ2 LYS 25 1HZ LYS 25 12.091 -0.695 4.120 193 HZ3 LYS 25 2HZ LYS 25 12.058 0.740 5.011 194 H PHE 26 H PHE 26 4.410 0.523 4.271 195 HA PHE 26 HA PHE 26 3.525 0.023 7.049 196 HB2 PHE 26 2HB PHE 26 2.119 -0.356 4.349 197 HB3 PHE 26 3HB PHE 26 1.410 -0.740 5.915 198 HD1 PHE 26 HD1 PHE 26 1.016 1.121 7.588 199 HD2 PHE 26 HD2 PHE 26 2.068 1.921 3.517 200 HE1 PHE 26 HE1 PHE 26 0.237 3.430 7.832 201 HE2 PHE 26 HE2 PHE 26 1.271 4.237 3.776 202 HZ PHE 26 HZ PHE 26 0.359 4.997 5.933 203 H ILE 27 H ILE 27 4.645 -1.753 7.785 204 HA ILE 27 HA ILE 27 5.220 -4.045 6.064 205 HB ILE 27 HB ILE 27 5.861 -3.591 9.022 206 HG12 ILE 27 2HG1 ILE 27 8.322 -3.542 8.097 207 HG13 ILE 27 3HG1 ILE 27 7.582 -3.196 6.543 208 HG21 ILE 27 1HG2 ILE 27 5.622 -5.992 8.545 209 HG22 ILE 27 2HG2 ILE 27 7.301 -5.592 8.900 210 HG23 ILE 27 3HG2 ILE 27 6.798 -5.866 7.233 211 HD11 ILE 27 3HD1 ILE 27 6.611 -1.142 7.457 212 HD12 ILE 27 1HD1 ILE 27 8.362 -1.173 7.672 213 HD13 ILE 27 2HD1 ILE 27 7.301 -1.512 9.039 214 HA PRO 28 HA PRO 28 1.247 -5.688 7.749 215 HB2 PRO 28 2HB PRO 28 0.764 -7.553 5.854 216 HB3 PRO 28 3HB PRO 28 0.598 -5.821 5.495 217 HG2 PRO 28 2HG PRO 28 2.908 -7.645 4.877 218 HG3 PRO 28 3HG PRO 28 2.088 -6.480 3.812 219 HD2 PRO 28 2HD PRO 28 4.426 -5.899 5.119 220 HD3 PRO 28 3HD PRO 28 3.219 -4.662 4.706 221 H GLY 29 H GLY 29 4.330 -7.085 7.526 222 HA2 GLY 29 2HA GLY 29 5.366 -8.618 8.893 223 HA3 GLY 29 3HA GLY 29 3.826 -8.920 9.686 224 H LYS 30 H LYS 30 3.807 -9.200 6.263 225 HA LYS 30 HA LYS 30 4.566 -12.029 6.186 226 HB2 LYS 30 2HB LYS 30 1.885 -11.065 5.051 227 HB3 LYS 30 3HB LYS 30 2.551 -12.682 4.880 228 HG2 LYS 30 2HG LYS 30 2.467 -12.752 7.486 229 HG3 LYS 30 3HG LYS 30 1.384 -11.376 7.341 230 HD2 LYS 30 2HD LYS 30 0.951 -14.169 6.227 231 HD3 LYS 30 3HD LYS 30 0.100 -13.429 7.578 232 HE2 LYS 30 2HE LYS 30 -1.451 -13.219 5.860 233 HE3 LYS 30 3HE LYS 30 -0.650 -11.653 5.787 234 HZ1 LYS 30 3HZ LYS 30 -0.938 -12.628 3.586 235 HZ2 LYS 30 1HZ LYS 30 -0.058 -13.993 4.044 236 HZ3 LYS 30 2HZ LYS 30 0.709 -12.493 3.946 237 HA PRO 31 HA PRO 31 6.565 -10.498 2.489 238 HB2 PRO 31 2HB PRO 31 6.585 -13.242 1.350 239 HB3 PRO 31 3HB PRO 31 7.947 -12.252 1.913 240 HG2 PRO 31 2HG PRO 31 7.125 -14.442 3.264 241 HG3 PRO 31 3HG PRO 31 7.799 -13.020 4.091 242 HD2 PRO 31 2HD PRO 31 4.905 -13.821 3.776 243 HD3 PRO 31 3HD PRO 31 5.758 -13.194 5.208 244 H VAL 32 H VAL 32 4.996 -9.258 1.454 245 HA VAL 32 HA VAL 32 2.782 -10.350 0.007 246 HB VAL 32 HB VAL 32 2.350 -8.067 -0.806 247 HG11 VAL 32 1HG1 VAL 32 3.092 -8.117 2.145 248 HG12 VAL 32 2HG1 VAL 32 1.577 -8.678 1.437 249 HG13 VAL 32 3HG1 VAL 32 1.993 -6.967 1.373 250 HG21 VAL 32 3HG2 VAL 32 3.792 -6.153 -0.216 251 HG22 VAL 32 1HG2 VAL 32 4.657 -7.308 -1.233 252 HG23 VAL 32 2HG2 VAL 32 4.976 -7.251 0.502 253 H LEU 33 H LEU 33 5.989 -9.186 -0.923 254 HA LEU 33 HA LEU 33 5.913 -10.842 -3.337 255 HB2 LEU 33 2HB LEU 33 6.526 -7.869 -3.294 256 HB3 LEU 33 3HB LEU 33 7.220 -8.907 -4.526 257 HG LEU 33 HG LEU 33 4.255 -8.391 -4.098 258 HD11 LEU 33 1HD1 LEU 33 4.359 -7.199 -6.219 259 HD12 LEU 33 2HD1 LEU 33 6.093 -7.513 -6.351 260 HD13 LEU 33 3HD1 LEU 33 5.474 -6.483 -5.058 261 HD21 LEU 33 3HD2 LEU 33 5.627 -10.107 -6.197 262 HD22 LEU 33 1HD2 LEU 33 3.912 -9.686 -6.167 263 HD23 LEU 33 2HD2 LEU 33 4.593 -10.678 -4.884 264 H GLU 34 H GLU 34 7.216 -12.204 -2.030 265 HA GLU 34 HA GLU 34 9.851 -11.332 -1.171 266 HB2 GLU 34 2HB GLU 34 8.515 -13.119 0.002 267 HB3 GLU 34 3HB GLU 34 8.715 -14.164 -1.402 268 HG2 GLU 34 2HG GLU 34 10.281 -14.743 0.414 269 HG3 GLU 34 3HG GLU 34 11.132 -14.231 -1.041 270 H THR 35 H THR 35 8.378 -12.887 -3.901 271 HA THR 35 HA THR 35 10.665 -13.891 -5.244 272 HB THR 35 HB THR 35 8.513 -14.810 -5.781 273 HG1 THR 35 HG1 THR 35 8.441 -14.208 -8.176 274 HG21 THR 35 3HG2 THR 35 7.638 -12.066 -6.756 275 HG22 THR 35 1HG2 THR 35 7.063 -12.877 -5.295 276 HG23 THR 35 2HG2 THR 35 6.703 -13.555 -6.882 277 H ARG 36 H ARG 36 9.189 -10.667 -5.215 278 HA ARG 36 HA ARG 36 11.262 -9.500 -6.839 279 HB2 ARG 36 2HB ARG 36 9.897 -8.841 -8.755 280 HB3 ARG 36 3HB ARG 36 9.840 -10.593 -8.599 281 HG2 ARG 36 2HG ARG 36 7.596 -10.460 -7.593 282 HG3 ARG 36 3HG ARG 36 7.659 -8.697 -7.648 283 HD2 ARG 36 2HD ARG 36 7.686 -10.543 -10.062 284 HD3 ARG 36 3HD ARG 36 6.304 -9.610 -9.482 285 HE ARG 36 HE ARG 36 8.634 -8.009 -10.079 286 HH11 ARG 36 1HH1 ARG 36 5.701 -9.405 -11.452 287 HH12 ARG 36 2HH1 ARG 36 5.625 -8.266 -12.763 288 HH21 ARG 36 1HH2 ARG 36 8.558 -6.554 -11.802 289 HH22 ARG 36 2HH2 ARG 36 7.261 -6.646 -12.960 290 H THR 37 H THR 37 10.230 -7.183 -7.609 291 HA THR 37 HA THR 37 8.441 -6.061 -5.530 292 HB THR 37 HB THR 37 9.669 -3.872 -5.746 293 HG1 THR 37 HG1 THR 37 11.375 -5.451 -7.366 294 HG21 THR 37 3HG2 THR 37 10.226 -5.346 -3.844 295 HG22 THR 37 1HG2 THR 37 11.636 -4.438 -4.393 296 HG23 THR 37 2HG2 THR 37 11.465 -6.140 -4.820 297 H MET 38 H MET 38 7.040 -4.346 -6.337 298 HA MET 38 HA MET 38 6.874 -3.994 -9.254 299 HB2 MET 38 2HB MET 38 4.583 -5.056 -7.538 300 HB3 MET 38 3HB MET 38 4.356 -4.402 -9.154 301 HG2 MET 38 2HG MET 38 5.774 -6.173 -10.084 302 HG3 MET 38 3HG MET 38 6.051 -6.811 -8.466 303 HE1 MET 38 3HE MET 38 2.716 -5.488 -10.199 304 HE2 MET 38 1HE MET 38 2.057 -7.029 -10.745 305 HE3 MET 38 2HE MET 38 3.565 -6.426 -11.432 306 H ASP 39 H ASP 39 6.824 -1.901 -9.590 307 HA ASP 39 HA ASP 39 5.894 -0.007 -7.566 308 HB2 ASP 39 2HB ASP 39 6.979 1.698 -8.967 309 HB3 ASP 39 3HB ASP 39 8.089 0.368 -8.662 310 H PHE 40 H PHE 40 4.140 1.255 -7.800 311 HA PHE 40 HA PHE 40 2.589 1.248 -10.322 312 HB2 PHE 40 2HB PHE 40 1.368 1.160 -7.520 313 HB3 PHE 40 3HB PHE 40 0.500 1.120 -9.054 314 HD1 PHE 40 HD2 PHE 40 0.914 -0.896 -10.615 315 HD2 PHE 40 HD1 PHE 40 2.048 -0.884 -6.490 316 HE1 PHE 40 HE2 PHE 40 1.053 -3.349 -10.646 317 HE2 PHE 40 HE1 PHE 40 2.197 -3.335 -6.538 318 HZ PHE 40 HZ PHE 40 1.698 -4.572 -8.609 319 HA PRO 41 HA PRO 41 3.425 5.661 -9.136 320 HB2 PRO 41 2HB PRO 41 3.415 6.034 -12.107 321 HB3 PRO 41 3HB PRO 41 4.656 6.483 -10.918 322 HG2 PRO 41 2HG PRO 41 5.057 4.464 -12.645 323 HG3 PRO 41 3HG PRO 41 5.691 4.395 -10.984 324 HD2 PRO 41 2HD PRO 41 3.218 3.081 -12.117 325 HD3 PRO 41 3HD PRO 41 4.468 2.406 -11.039 326 H THR 42 H THR 42 1.257 4.193 -11.508 327 HA THR 42 HA THR 42 -0.724 6.376 -11.230 328 HB THR 42 HB THR 42 -1.429 5.803 -13.561 329 HG1 THR 42 HG1 THR 42 0.205 4.474 -14.755 330 HG21 THR 42 3HG2 THR 42 1.532 6.484 -13.349 331 HG22 THR 42 1HG2 THR 42 0.193 7.635 -13.296 332 HG23 THR 42 2HG2 THR 42 0.523 6.733 -14.775 333 HA PRO 43 HA PRO 43 -3.786 3.189 -10.019 334 HB2 PRO 43 2HB PRO 43 -5.662 4.761 -11.792 335 HB3 PRO 43 3HB PRO 43 -5.854 4.260 -10.097 336 HG2 PRO 43 2HG PRO 43 -5.304 6.793 -10.688 337 HG3 PRO 43 3HG PRO 43 -4.556 6.011 -9.274 338 HD2 PRO 43 2HD PRO 43 -3.349 6.588 -11.974 339 HD3 PRO 43 3HD PRO 43 -2.621 6.729 -10.356 340 H ALA 44 H ALA 44 -3.198 4.153 -13.366 341 HA ALA 44 HA ALA 44 -4.613 2.113 -14.721 342 HB1 ALA 44 3HB ALA 44 -3.274 2.713 -16.684 343 HB2 ALA 44 1HB ALA 44 -2.167 3.642 -15.666 344 HB3 ALA 44 2HB ALA 44 -3.844 4.157 -15.848 345 H ALA 45 H ALA 45 -1.167 2.345 -13.747 346 HA ALA 45 HA ALA 45 -0.339 -0.203 -14.704 347 HB1 ALA 45 3HB ALA 45 1.684 0.171 -13.335 348 HB2 ALA 45 1HB ALA 45 0.889 1.521 -12.515 349 HB3 ALA 45 2HB ALA 45 1.250 1.621 -14.238 350 H ALA 46 H ALA 46 -2.099 0.743 -11.882 351 HA ALA 46 HA ALA 46 -1.332 -1.283 -10.058 352 HB1 ALA 46 3HB ALA 46 -3.866 0.370 -10.085 353 HB2 ALA 46 1HB ALA 46 -2.331 0.848 -9.361 354 HB3 ALA 46 2HB ALA 46 -3.219 -0.530 -8.708 355 H PHE 47 H PHE 47 -3.266 -1.580 -12.859 356 HA PHE 47 HA PHE 47 -5.273 -3.373 -12.097 357 HB2 PHE 47 2HB PHE 47 -5.558 -3.909 -14.404 358 HB3 PHE 47 3HB PHE 47 -5.007 -2.246 -14.366 359 HD1 PHE 47 HD1 PHE 47 -2.432 -1.851 -14.804 360 HD2 PHE 47 HD2 PHE 47 -4.460 -5.463 -15.834 361 HE1 PHE 47 HE1 PHE 47 -0.659 -2.381 -16.421 362 HE2 PHE 47 HE2 PHE 47 -2.674 -6.002 -17.444 363 HZ PHE 47 HZ PHE 47 -0.776 -4.457 -17.740 364 H ARG 48 H ARG 48 -1.901 -3.885 -12.447 365 HA ARG 48 HA ARG 48 -1.773 -6.672 -12.892 366 HB2 ARG 48 2HB ARG 48 0.256 -4.802 -11.606 367 HB3 ARG 48 3HB ARG 48 0.603 -6.412 -12.232 368 HG2 ARG 48 2HG ARG 48 -0.037 -5.629 -14.512 369 HG3 ARG 48 3HG ARG 48 -0.293 -4.011 -13.854 370 HD2 ARG 48 2HD ARG 48 2.331 -5.532 -13.886 371 HD3 ARG 48 3HD ARG 48 1.898 -4.185 -14.938 372 HE ARG 48 HE ARG 48 1.646 -3.047 -12.531 373 HH11 ARG 48 1HH1 ARG 48 4.243 -5.035 -13.838 374 HH12 ARG 48 2HH1 ARG 48 5.478 -4.262 -12.882 375 HH21 ARG 48 1HH2 ARG 48 3.298 -2.040 -11.288 376 HH22 ARG 48 2HH2 ARG 48 4.940 -2.573 -11.447 377 H SER 49 H SER 49 -2.445 -4.863 -10.006 378 HA SER 49 HA SER 49 -2.373 -7.318 -8.383 379 HB2 SER 49 2HB SER 49 -1.202 -4.649 -7.484 380 HB3 SER 49 3HB SER 49 -1.295 -6.124 -6.520 381 HG SER 49 HG SER 49 -0.061 -6.929 -8.593 382 HA PRO 50 HA PRO 50 -6.562 -5.696 -7.622 383 HB2 PRO 50 2HB PRO 50 -6.546 -7.776 -5.452 384 HB3 PRO 50 3HB PRO 50 -7.706 -7.525 -6.774 385 HG2 PRO 50 2HG PRO 50 -5.989 -9.549 -6.882 386 HG3 PRO 50 3HG PRO 50 -6.374 -8.611 -8.345 387 HD2 PRO 50 2HD PRO 50 -3.930 -8.438 -6.583 388 HD3 PRO 50 3HD PRO 50 -4.047 -8.425 -8.363 389 H LEU 51 H LEU 51 -4.252 -6.335 -4.941 390 HA LEU 51 HA LEU 51 -5.583 -4.755 -2.980 391 HB2 LEU 51 2HB LEU 51 -3.895 -6.499 -2.386 392 HB3 LEU 51 3HB LEU 51 -2.636 -5.523 -3.128 393 HG LEU 51 HG LEU 51 -3.068 -3.721 -1.421 394 HD11 LEU 51 1HD1 LEU 51 -4.387 -4.186 0.578 395 HD12 LEU 51 2HD1 LEU 51 -4.916 -5.726 -0.100 396 HD13 LEU 51 3HD1 LEU 51 -5.389 -4.208 -0.871 397 HD21 LEU 51 3HD2 LEU 51 -1.943 -4.812 0.455 398 HD22 LEU 51 1HD2 LEU 51 -1.239 -5.325 -1.078 399 HD23 LEU 51 2HD2 LEU 51 -2.330 -6.404 -0.204 400 H ALA 52 H ALA 52 -3.141 -4.084 -5.459 401 HA ALA 52 HA ALA 52 -2.364 -1.480 -4.649 402 HB1 ALA 52 3HB ALA 52 -1.488 -1.213 -6.925 403 HB2 ALA 52 1HB ALA 52 -2.394 -2.638 -7.458 404 HB3 ALA 52 2HB ALA 52 -1.086 -2.807 -6.289 405 H ARG 53 H ARG 53 -4.888 -2.615 -6.919 406 HA ARG 53 HA ARG 53 -5.942 -0.117 -7.699 407 HB2 ARG 53 2HB ARG 53 -7.428 -2.769 -7.426 408 HB3 ARG 53 3HB ARG 53 -8.016 -1.363 -8.310 409 HG2 ARG 53 2HG ARG 53 -6.044 -1.556 -9.839 410 HG3 ARG 53 3HG ARG 53 -5.578 -3.032 -8.993 411 HD2 ARG 53 2HD ARG 53 -8.143 -2.591 -10.554 412 HD3 ARG 53 3HD ARG 53 -6.765 -3.566 -11.060 413 HE ARG 53 HE ARG 53 -8.449 -4.213 -8.712 414 HH11 ARG 53 1HH1 ARG 53 -6.756 -5.274 -11.620 415 HH12 ARG 53 2HH1 ARG 53 -7.164 -6.944 -11.380 416 HH21 ARG 53 1HH2 ARG 53 -9.001 -6.373 -8.449 417 HH22 ARG 53 2HH2 ARG 53 -8.443 -7.565 -9.576 418 H GLN 54 H GLN 54 -6.625 -2.176 -4.911 419 HA GLN 54 HA GLN 54 -8.868 -0.720 -3.904 420 HB2 GLN 54 2HB GLN 54 -6.956 -2.637 -2.516 421 HB3 GLN 54 3HB GLN 54 -8.427 -2.004 -1.785 422 HG2 GLN 54 2HG GLN 54 -9.768 -3.101 -3.542 423 HG3 GLN 54 3HG GLN 54 -8.294 -3.767 -4.244 424 HE21 GLN 54 1HE2 GLN 54 -10.616 -5.171 -3.156 425 HE22 GLN 54 2HE2 GLN 54 -10.013 -6.192 -1.899 426 H LEU 55 H LEU 55 -5.364 -0.547 -3.333 427 HA LEU 55 HA LEU 55 -5.504 1.313 -1.162 428 HB2 LEU 55 2HB LEU 55 -3.177 0.572 -2.984 429 HB3 LEU 55 3HB LEU 55 -3.028 1.630 -1.589 430 HG LEU 55 HG LEU 55 -3.822 -1.313 -1.497 431 HD11 LEU 55 1HD1 LEU 55 -1.656 -1.699 -0.420 432 HD12 LEU 55 2HD1 LEU 55 -1.237 0.005 -0.613 433 HD13 LEU 55 3HD1 LEU 55 -1.456 -1.018 -2.034 434 HD21 LEU 55 3HD2 LEU 55 -4.948 -0.088 0.290 435 HD22 LEU 55 1HD2 LEU 55 -3.415 0.615 0.814 436 HD23 LEU 55 2HD2 LEU 55 -3.690 -1.124 0.954 437 H PHE 56 H PHE 56 -5.139 1.681 -4.693 438 HA PHE 56 HA PHE 56 -4.867 4.536 -4.671 439 HB2 PHE 56 2HB PHE 56 -5.524 2.513 -6.830 440 HB3 PHE 56 3HB PHE 56 -5.725 4.228 -7.163 441 HD1 PHE 56 HD1 PHE 56 -3.719 5.776 -6.929 442 HD2 PHE 56 HD2 PHE 56 -3.329 1.524 -6.949 443 HE1 PHE 56 HE1 PHE 56 -1.345 5.986 -7.519 444 HE2 PHE 56 HE2 PHE 56 -0.955 1.746 -7.528 445 HZ PHE 56 HZ PHE 56 0.037 3.977 -7.817 446 H ARG 57 H ARG 57 -7.649 2.421 -4.427 447 HA ARG 57 HA ARG 57 -9.705 4.332 -4.953 448 HB2 ARG 57 2HB ARG 57 -9.629 1.744 -3.366 449 HB3 ARG 57 3HB ARG 57 -11.084 2.735 -3.409 450 HG2 ARG 57 2HG ARG 57 -11.340 2.440 -5.772 451 HG3 ARG 57 3HG ARG 57 -9.745 1.689 -5.918 452 HD2 ARG 57 2HD ARG 57 -11.602 0.038 -5.993 453 HD3 ARG 57 3HD ARG 57 -10.486 -0.251 -4.656 454 HE ARG 57 HE ARG 57 -12.615 1.333 -3.717 455 HH11 ARG 57 1HH1 ARG 57 -12.101 -1.959 -4.892 456 HH12 ARG 57 2HH1 ARG 57 -13.403 -2.623 -3.953 457 HH21 ARG 57 1HH2 ARG 57 -14.276 0.434 -2.453 458 HH22 ARG 57 2HH2 ARG 57 -14.637 -1.261 -2.568 459 H ILE 58 H ILE 58 -7.519 4.047 -2.323 460 HA ILE 58 HA ILE 58 -9.200 5.269 -0.292 461 HB ILE 58 HB ILE 58 -6.163 4.828 -0.235 462 HG12 ILE 58 2HG1 ILE 58 -8.388 2.942 0.681 463 HG13 ILE 58 3HG1 ILE 58 -7.257 2.669 -0.635 464 HG21 ILE 58 1HG2 ILE 58 -6.953 6.439 1.455 465 HG22 ILE 58 2HG2 ILE 58 -6.388 4.956 2.223 466 HG23 ILE 58 3HG2 ILE 58 -8.119 5.257 2.059 467 HD11 ILE 58 3HD1 ILE 58 -5.419 2.563 0.996 468 HD12 ILE 58 1HD1 ILE 58 -6.665 1.342 1.267 469 HD13 ILE 58 2HD1 ILE 58 -6.596 2.769 2.305 470 H GLU 59 H GLU 59 -9.647 7.375 -0.478 471 HA GLU 59 HA GLU 59 -8.442 9.113 -2.365 472 HB2 GLU 59 2HB GLU 59 -10.328 9.767 -0.063 473 HB3 GLU 59 3HB GLU 59 -9.951 10.847 -1.404 474 HG2 GLU 59 2HG GLU 59 -10.991 9.264 -2.987 475 HG3 GLU 59 3HG GLU 59 -11.327 8.153 -1.663 476 H GLY 60 H GLY 60 -6.310 9.362 -1.971 477 HA2 GLY 60 2HA GLY 60 -5.138 11.320 -0.599 478 HA3 GLY 60 3HA GLY 60 -5.230 10.066 0.639 479 H VAL 61 H VAL 61 -4.956 7.929 -1.439 480 HA VAL 61 HA VAL 61 -2.075 7.733 -1.376 481 HB VAL 61 HB VAL 61 -4.204 5.856 -2.510 482 HG11 VAL 61 1HG1 VAL 61 -1.226 5.316 -2.157 483 HG12 VAL 61 2HG1 VAL 61 -2.090 5.449 -3.690 484 HG13 VAL 61 3HG1 VAL 61 -2.443 4.113 -2.595 485 HG21 VAL 61 3HG2 VAL 61 -3.794 4.517 -0.477 486 HG22 VAL 61 1HG2 VAL 61 -4.327 6.148 -0.065 487 HG23 VAL 61 2HG2 VAL 61 -2.624 5.710 0.090 488 H LYS 62 H LYS 62 -0.811 8.551 -2.875 489 HA LYS 62 HA LYS 62 -1.762 9.320 -5.534 490 HB2 LYS 62 2HB LYS 62 -0.539 10.961 -4.136 491 HB3 LYS 62 3HB LYS 62 0.867 9.906 -4.097 492 HG2 LYS 62 2HG LYS 62 1.135 11.801 -5.657 493 HG3 LYS 62 3HG LYS 62 1.235 10.248 -6.491 494 HD2 LYS 62 2HD LYS 62 -0.962 10.508 -7.424 495 HD3 LYS 62 3HD LYS 62 -1.330 11.874 -6.368 496 HE2 LYS 62 2HE LYS 62 0.790 11.905 -8.545 497 HE3 LYS 62 3HE LYS 62 -0.843 12.557 -8.709 498 HZ1 LYS 62 3HZ LYS 62 1.249 13.491 -6.818 499 HZ2 LYS 62 1HZ LYS 62 -0.351 14.052 -6.830 500 HZ3 LYS 62 2HZ LYS 62 0.653 14.316 -8.164 501 H SER 63 H SER 63 0.559 7.123 -4.005 502 HA SER 63 HA SER 63 0.748 5.509 -6.391 503 HB2 SER 63 2HB SER 63 3.249 5.602 -6.539 504 HB3 SER 63 3HB SER 63 2.486 7.143 -6.927 505 HG SER 63 HG SER 63 4.363 6.717 -5.170 506 H VAL 64 H VAL 64 1.583 3.427 -6.026 507 HA VAL 64 HA VAL 64 2.059 2.612 -3.203 508 HB VAL 64 HB VAL 64 0.520 1.036 -5.343 509 HG11 VAL 64 1HG1 VAL 64 1.084 0.266 -2.452 510 HG12 VAL 64 2HG1 VAL 64 1.782 -0.485 -3.888 511 HG13 VAL 64 3HG1 VAL 64 0.054 -0.626 -3.575 512 HG21 VAL 64 3HG2 VAL 64 -1.473 1.335 -3.925 513 HG22 VAL 64 1HG2 VAL 64 -0.828 2.889 -4.460 514 HG23 VAL 64 2HG2 VAL 64 -0.543 2.338 -2.808 515 H PHE 65 H PHE 65 3.749 1.196 -2.892 516 HA PHE 65 HA PHE 65 4.987 -0.183 -5.204 517 HB2 PHE 65 2HB PHE 65 6.406 1.770 -4.659 518 HB3 PHE 65 3HB PHE 65 6.476 1.294 -2.965 519 HD1 PHE 65 HD2 PHE 65 7.525 0.322 -6.405 520 HD2 PHE 65 HD1 PHE 65 8.118 -0.336 -2.221 521 HE1 PHE 65 HE2 PHE 65 9.534 -1.003 -6.896 522 HE2 PHE 65 HE1 PHE 65 10.128 -1.669 -2.722 523 HZ PHE 65 HZ PHE 65 10.836 -1.998 -5.057 524 H PHE 66 H PHE 66 4.872 -2.331 -4.820 525 HA PHE 66 HA PHE 66 4.784 -3.371 -2.062 526 HB2 PHE 66 2HB PHE 66 4.347 -4.755 -4.743 527 HB3 PHE 66 3HB PHE 66 4.309 -5.587 -3.195 528 HD1 PHE 66 HD2 PHE 66 2.778 -3.340 -1.682 529 HD2 PHE 66 HD1 PHE 66 2.096 -5.322 -5.412 530 HE1 PHE 66 HE2 PHE 66 0.373 -2.892 -1.486 531 HE2 PHE 66 HE1 PHE 66 -0.316 -4.860 -5.199 532 HZ PHE 66 HZ PHE 66 -1.178 -3.646 -3.241 533 H GLY 67 H GLY 67 6.384 -4.552 -1.180 534 HA2 GLY 67 2HA GLY 67 8.721 -5.449 -2.744 535 HA3 GLY 67 3HA GLY 67 8.961 -4.347 -1.387 536 HA PRO 68 HA PRO 68 8.911 -8.976 -0.045 537 HB2 PRO 68 2HB PRO 68 11.419 -8.976 1.154 538 HB3 PRO 68 3HB PRO 68 11.125 -9.424 -0.534 539 HG2 PRO 68 2HG PRO 68 12.080 -6.810 0.569 540 HG3 PRO 68 3HG PRO 68 12.653 -7.707 -0.856 541 HD2 PRO 68 2HD PRO 68 10.997 -5.589 -1.108 542 HD3 PRO 68 3HD PRO 68 10.871 -6.991 -2.192 543 H ASP 69 H ASP 69 7.408 -8.731 1.499 544 HA ASP 69 HA ASP 69 6.570 -8.879 3.595 545 HB2 ASP 69 2HB ASP 69 8.805 -9.865 4.174 546 HB3 ASP 69 3HB ASP 69 9.397 -8.263 4.574 547 H SER 70 H SER 70 7.392 -6.136 2.147 548 HA SER 70 HA SER 70 6.207 -4.381 4.167 549 HB2 SER 70 2HB SER 70 8.059 -2.685 3.780 550 HB3 SER 70 3HB SER 70 8.583 -4.131 4.643 551 HG SER 70 HG SER 70 9.216 -4.913 2.453 552 H ILE 71 H ILE 71 5.139 -2.665 3.315 553 HA ILE 71 HA ILE 71 4.983 -2.309 0.360 554 HB ILE 71 HB ILE 71 2.772 -1.922 2.468 555 HG12 ILE 71 2HG1 ILE 71 2.997 -4.061 0.293 556 HG13 ILE 71 3HG1 ILE 71 3.261 -4.330 2.009 557 HG21 ILE 71 1HG2 ILE 71 2.574 -1.584 -0.551 558 HG22 ILE 71 2HG2 ILE 71 2.524 -0.287 0.645 559 HG23 ILE 71 3HG2 ILE 71 1.231 -1.483 0.591 560 HD11 ILE 71 3HD1 ILE 71 1.106 -5.153 1.340 561 HD12 ILE 71 1HD1 ILE 71 0.642 -3.572 0.712 562 HD13 ILE 71 2HD1 ILE 71 0.902 -3.797 2.446 563 H THR 72 H THR 72 4.861 -0.061 -0.300 564 HA THR 72 HA THR 72 5.309 1.992 1.787 565 HB THR 72 HB THR 72 6.813 1.845 -0.885 566 HG1 THR 72 HG1 THR 72 7.424 0.334 0.897 567 HG21 THR 72 3HG2 THR 72 7.092 3.787 1.455 568 HG22 THR 72 1HG2 THR 72 6.456 4.177 -0.146 569 HG23 THR 72 2HG2 THR 72 8.151 3.728 0.045 570 H VAL 73 H VAL 73 3.740 3.474 1.646 571 HA VAL 73 HA VAL 73 2.283 3.920 -0.903 572 HB VAL 73 HB VAL 73 1.272 4.145 1.987 573 HG11 VAL 73 1HG1 VAL 73 -0.253 4.751 -0.571 574 HG12 VAL 73 2HG1 VAL 73 0.287 5.933 0.621 575 HG13 VAL 73 3HG1 VAL 73 -0.930 4.736 1.060 576 HG21 VAL 73 3HG2 VAL 73 -0.290 2.324 1.393 577 HG22 VAL 73 1HG2 VAL 73 1.391 1.815 1.208 578 HG23 VAL 73 2HG2 VAL 73 0.431 2.219 -0.217 579 H THR 74 H THR 74 2.176 6.017 -1.591 580 HA THR 74 HA THR 74 3.376 8.163 0.077 581 HB THR 74 HB THR 74 3.142 8.055 -2.973 582 HG1 THR 74 HG1 THR 74 4.688 6.542 -1.836 583 HG21 THR 74 3HG2 THR 74 4.741 9.949 -1.200 584 HG22 THR 74 1HG2 THR 74 3.250 10.370 -2.050 585 HG23 THR 74 2HG2 THR 74 4.699 9.958 -2.964 586 H LYS 75 H LYS 75 2.213 10.075 0.313 587 HA LYS 75 HA LYS 75 -0.669 9.999 -0.170 588 HB2 LYS 75 2HB LYS 75 -0.792 11.872 1.375 589 HB3 LYS 75 3HB LYS 75 0.323 10.700 2.066 590 HG2 LYS 75 2HG LYS 75 2.236 12.082 1.205 591 HG3 LYS 75 3HG LYS 75 1.067 13.274 0.635 592 HD2 LYS 75 2HD LYS 75 1.970 14.035 2.756 593 HD3 LYS 75 3HD LYS 75 0.283 13.586 3.000 594 HE2 LYS 75 2HE LYS 75 0.950 11.481 4.016 595 HE3 LYS 75 3HE LYS 75 2.648 11.806 3.664 596 HZ1 LYS 75 3HZ LYS 75 2.537 13.724 5.159 597 HZ2 LYS 75 1HZ LYS 75 2.133 12.294 5.967 598 HZ3 LYS 75 2HZ LYS 75 0.923 13.380 5.510 599 H GLU 76 H GLU 76 -1.696 12.065 -0.814 600 HA GLU 76 HA GLU 76 -0.879 12.715 -3.481 601 HB2 GLU 76 2HB GLU 76 -3.312 12.674 -1.958 602 HB3 GLU 76 3HB GLU 76 -3.131 14.335 -2.490 603 HG2 GLU 76 2HG GLU 76 -2.994 11.964 -4.367 604 HG3 GLU 76 3HG GLU 76 -4.487 12.787 -3.954 605 H ASN 77 H ASN 77 -1.419 14.624 -0.536 606 HA ASN 77 HA ASN 77 0.641 16.570 -1.274 607 HB2 ASN 77 2HB ASN 77 -0.893 18.488 -0.693 608 HB3 ASN 77 3HB ASN 77 -1.359 17.645 -2.163 609 HD21 ASN 77 1HD2 ASN 77 -2.965 19.326 -0.342 610 HD22 ASN 77 2HD2 ASN 77 -4.312 18.349 0.128 611 H GLU 78 H GLU 78 1.214 17.933 0.592 612 HA GLU 78 HA GLU 78 1.857 16.309 2.819 613 HB2 GLU 78 2HB GLU 78 2.068 19.335 2.555 614 HB3 GLU 78 3HB GLU 78 2.940 18.332 3.713 615 HG2 GLU 78 2HG GLU 78 4.235 17.292 1.949 616 HG3 GLU 78 3HG GLU 78 3.268 18.093 0.709 617 H GLU 79 H GLU 79 -0.888 18.284 2.224 618 HA GLU 79 HA GLU 79 -1.582 18.999 4.912 619 HB2 GLU 79 2HB GLU 79 -3.284 18.922 2.377 620 HB3 GLU 79 3HB GLU 79 -3.823 19.576 3.922 621 HG2 GLU 79 2HG GLU 79 -3.215 21.480 2.707 622 HG3 GLU 79 3HG GLU 79 -1.823 21.203 3.744 623 H LEU 80 H LEU 80 -1.781 16.053 3.180 624 HA LEU 80 HA LEU 80 -3.981 14.906 4.679 625 HB2 LEU 80 2HB LEU 80 -1.898 13.671 2.838 626 HB3 LEU 80 3HB LEU 80 -3.224 12.775 3.573 627 HG LEU 80 HG LEU 80 -3.593 15.095 1.644 628 HD11 LEU 80 1HD1 LEU 80 -3.757 12.117 1.149 629 HD12 LEU 80 2HD1 LEU 80 -2.510 13.218 0.552 630 HD13 LEU 80 3HD1 LEU 80 -4.170 13.386 -0.009 631 HD21 LEU 80 3HD2 LEU 80 -5.610 13.113 2.754 632 HD22 LEU 80 1HD2 LEU 80 -5.925 14.302 1.484 633 HD23 LEU 80 2HD2 LEU 80 -5.519 14.840 3.115 634 H ASP 81 H ASP 81 -3.674 14.406 6.691 635 HA ASP 81 HA ASP 81 -1.148 13.530 7.821 636 HB2 ASP 81 2HB ASP 81 -2.730 14.850 9.181 637 HB3 ASP 81 3HB ASP 81 -3.964 13.608 8.998 638 H TRP 82 H TRP 82 -0.605 11.405 8.312 639 HA TRP 82 HA TRP 82 -1.710 9.367 6.687 640 HB2 TRP 82 2HB TRP 82 0.351 9.305 8.910 641 HB3 TRP 82 3HB TRP 82 -0.212 7.812 8.168 642 HD1 TRP 82 HD1 TRP 82 2.477 10.278 7.778 643 HE1 TRP 82 HE1 TRP 82 3.612 10.050 5.482 644 HE3 TRP 82 HE3 TRP 82 -1.016 7.347 5.414 645 HZ2 TRP 82 HZ2 TRP 82 3.101 8.806 3.011 646 HZ3 TRP 82 HZ3 TRP 82 -0.609 6.695 3.074 647 HH2 TRP 82 HH2 TRP 82 1.410 7.412 1.899 648 H ASN 83 H ASN 83 -2.459 10.353 9.975 649 HA ASN 83 HA ASN 83 -3.676 7.962 10.899 650 HB2 ASN 83 2HB ASN 83 -4.259 10.837 11.724 651 HB3 ASN 83 3HB ASN 83 -4.849 9.412 12.573 652 HD21 ASN 83 1HD2 ASN 83 -3.125 11.586 13.487 653 HD22 ASN 83 2HD2 ASN 83 -1.686 10.835 14.077 654 H LEU 84 H LEU 84 -4.750 10.264 8.579 655 HA LEU 84 HA LEU 84 -7.574 9.706 8.691 656 HB2 LEU 84 2HB LEU 84 -5.905 10.833 6.388 657 HB3 LEU 84 3HB LEU 84 -7.654 10.908 6.523 658 HG LEU 84 HG LEU 84 -5.677 12.346 8.338 659 HD11 LEU 84 1HD1 LEU 84 -6.454 14.416 7.272 660 HD12 LEU 84 2HD1 LEU 84 -7.480 13.485 6.177 661 HD13 LEU 84 3HD1 LEU 84 -5.724 13.322 6.096 662 HD21 LEU 84 3HD2 LEU 84 -8.709 12.488 8.338 663 HD22 LEU 84 1HD2 LEU 84 -7.626 13.493 9.307 664 HD23 LEU 84 2HD2 LEU 84 -7.693 11.755 9.581 665 H LEU 85 H LEU 85 -4.828 8.663 6.629 666 HA LEU 85 HA LEU 85 -6.414 6.950 4.951 667 HB2 LEU 85 2HB LEU 85 -3.382 7.230 5.193 668 HB3 LEU 85 3HB LEU 85 -4.201 6.252 3.992 669 HG LEU 85 HG LEU 85 -5.320 8.475 3.213 670 HD11 LEU 85 1HD1 LEU 85 -2.995 9.693 4.712 671 HD12 LEU 85 2HD1 LEU 85 -4.706 9.871 5.105 672 HD13 LEU 85 3HD1 LEU 85 -4.080 10.532 3.597 673 HD21 LEU 85 3HD2 LEU 85 -3.430 8.980 1.709 674 HD22 LEU 85 1HD2 LEU 85 -3.709 7.246 1.865 675 HD23 LEU 85 2HD2 LEU 85 -2.366 8.001 2.723 676 H LYS 86 H LYS 86 -4.088 6.405 7.596 677 HA LYS 86 HA LYS 86 -3.403 3.788 7.210 678 HB2 LYS 86 2HB LYS 86 -3.575 5.344 9.808 679 HB3 LYS 86 3HB LYS 86 -2.890 3.722 9.720 680 HG2 LYS 86 2HG LYS 86 -1.136 4.488 8.217 681 HG3 LYS 86 3HG LYS 86 -1.859 6.096 8.132 682 HD2 LYS 86 2HD LYS 86 0.026 6.146 9.680 683 HD3 LYS 86 3HD LYS 86 -1.476 6.379 10.577 684 HE2 LYS 86 2HE LYS 86 -1.388 3.854 11.065 685 HE3 LYS 86 3HE LYS 86 0.264 3.908 10.457 686 HZ1 LYS 86 3HZ LYS 86 0.364 4.145 12.787 687 HZ2 LYS 86 1HZ LYS 86 -0.837 5.339 12.807 688 HZ3 LYS 86 2HZ LYS 86 0.681 5.684 12.153 689 HA PRO 87 HA PRO 87 -7.041 2.154 10.192 690 HB2 PRO 87 2HB PRO 87 -9.137 4.231 9.488 691 HB3 PRO 87 3HB PRO 87 -8.874 3.355 11.016 692 HG2 PRO 87 2HG PRO 87 -8.136 5.889 10.830 693 HG3 PRO 87 3HG PRO 87 -7.087 4.712 11.662 694 HD2 PRO 87 2HD PRO 87 -6.807 5.856 8.880 695 HD3 PRO 87 3HD PRO 87 -5.560 5.580 10.119 696 H ASP 88 H ASP 88 -7.752 3.883 7.130 697 HA ASP 88 HA ASP 88 -9.507 1.828 6.124 698 HB2 ASP 88 2HB ASP 88 -9.558 4.306 5.414 699 HB3 ASP 88 3HB ASP 88 -8.154 3.965 4.417 700 H ILE 89 H ILE 89 -6.080 2.685 5.655 701 HA ILE 89 HA ILE 89 -5.433 0.889 3.560 702 HB ILE 89 HB ILE 89 -3.638 2.079 5.743 703 HG12 ILE 89 2HG1 ILE 89 -4.053 2.883 2.824 704 HG13 ILE 89 3HG1 ILE 89 -4.614 3.773 4.231 705 HG21 ILE 89 1HG2 ILE 89 -2.750 0.593 3.237 706 HG22 ILE 89 2HG2 ILE 89 -2.578 0.020 4.896 707 HG23 ILE 89 3HG2 ILE 89 -1.682 1.439 4.360 708 HD11 ILE 89 3HD1 ILE 89 -1.737 3.350 3.426 709 HD12 ILE 89 1HD1 ILE 89 -2.284 4.211 4.867 710 HD13 ILE 89 2HD1 ILE 89 -2.680 4.831 3.265 711 H TYR 90 H TYR 90 -5.330 0.595 7.076 712 HA TYR 90 HA TYR 90 -4.261 -2.022 7.241 713 HB2 TYR 90 2HB TYR 90 -5.864 -0.362 9.239 714 HB3 TYR 90 3HB TYR 90 -5.212 -1.952 9.618 715 HD1 TYR 90 HD2 TYR 90 -2.982 -0.044 7.462 716 HD2 TYR 90 HD1 TYR 90 -4.131 -0.602 11.550 717 HE1 TYR 90 HE2 TYR 90 -0.875 0.970 8.202 718 HE2 TYR 90 HE1 TYR 90 -2.011 0.413 12.272 719 HH TYR 90 HH TYR 90 0.292 0.733 11.331 720 H ALA 91 H ALA 91 -7.605 -0.760 7.321 721 HA ALA 91 HA ALA 91 -8.980 -3.187 7.632 722 HB1 ALA 91 3HB ALA 91 -10.930 -2.014 6.700 723 HB2 ALA 91 1HB ALA 91 -9.875 -0.721 6.107 724 HB3 ALA 91 2HB ALA 91 -10.062 -0.985 7.839 725 H THR 92 H THR 92 -7.890 -1.537 4.677 726 HA THR 92 HA THR 92 -9.000 -3.232 2.735 727 HB THR 92 HB THR 92 -6.498 -1.482 2.584 728 HG1 THR 92 HG1 THR 92 -7.974 0.035 2.619 729 HG21 THR 92 3HG2 THR 92 -8.149 -2.629 0.297 730 HG22 THR 92 1HG2 THR 92 -6.504 -3.110 0.721 731 HG23 THR 92 2HG2 THR 92 -6.820 -1.478 0.138 732 H ILE 93 H ILE 93 -5.726 -3.222 4.162 733 HA ILE 93 HA ILE 93 -4.704 -5.406 2.648 734 HB ILE 93 HB ILE 93 -3.674 -4.040 5.175 735 HG12 ILE 93 2HG1 ILE 93 -2.754 -3.884 2.260 736 HG13 ILE 93 3HG1 ILE 93 -3.676 -2.649 3.109 737 HG21 ILE 93 1HG2 ILE 93 -2.213 -6.141 3.531 738 HG22 ILE 93 2HG2 ILE 93 -2.796 -6.339 5.184 739 HG23 ILE 93 3HG2 ILE 93 -1.507 -5.186 4.837 740 HD11 ILE 93 3HD1 ILE 93 -1.762 -2.307 4.629 741 HD12 ILE 93 1HD1 ILE 93 -1.380 -1.990 2.937 742 HD13 ILE 93 2HD1 ILE 93 -0.840 -3.488 3.692 743 H MET 94 H MET 94 -5.903 -5.214 6.041 744 HA MET 94 HA MET 94 -5.349 -7.908 6.724 745 HB2 MET 94 2HB MET 94 -7.414 -6.024 7.947 746 HB3 MET 94 3HB MET 94 -6.925 -7.563 8.644 747 HG2 MET 94 2HG MET 94 -4.611 -6.697 8.882 748 HG3 MET 94 3HG MET 94 -5.147 -5.146 8.239 749 HE1 MET 94 3HE MET 94 -7.732 -4.066 11.093 750 HE2 MET 94 1HE MET 94 -8.163 -5.075 9.715 751 HE3 MET 94 2HE MET 94 -7.120 -3.669 9.490 752 H ASP 95 H ASP 95 -8.349 -6.359 5.519 753 HA ASP 95 HA ASP 95 -10.055 -8.585 5.497 754 HB2 ASP 95 2HB ASP 95 -10.755 -6.209 5.051 755 HB3 ASP 95 3HB ASP 95 -9.987 -6.284 3.471 756 H PHE 96 H PHE 96 -7.879 -7.352 2.980 757 HA PHE 96 HA PHE 96 -8.458 -9.125 0.882 758 HB2 PHE 96 2HB PHE 96 -7.210 -6.922 0.763 759 HB3 PHE 96 3HB PHE 96 -5.816 -7.703 1.495 760 HD1 PHE 96 HD2 PHE 96 -7.887 -7.432 -1.550 761 HD2 PHE 96 HD1 PHE 96 -4.372 -9.175 0.156 762 HE1 PHE 96 HE2 PHE 96 -7.098 -8.047 -3.785 763 HE2 PHE 96 HE1 PHE 96 -3.590 -9.780 -2.089 764 HZ PHE 96 HZ PHE 96 -4.943 -9.216 -4.066 765 H PHE 97 H PHE 97 -6.072 -9.286 3.493 766 HA PHE 97 HA PHE 97 -4.764 -11.696 2.618 767 HB2 PHE 97 2HB PHE 97 -4.621 -10.084 5.201 768 HB3 PHE 97 3HB PHE 97 -3.692 -11.560 4.954 769 HD1 PHE 97 HD1 PHE 97 -4.083 -9.434 1.978 770 HD2 PHE 97 HD2 PHE 97 -1.667 -10.130 5.446 771 HE1 PHE 97 HE1 PHE 97 -2.258 -8.144 0.972 772 HE2 PHE 97 HE2 PHE 97 0.154 -8.830 4.417 773 HZ PHE 97 HZ PHE 97 -0.145 -7.837 2.186 774 H ALA 98 H ALA 98 -7.343 -10.908 4.888 775 HA ALA 98 HA ALA 98 -7.592 -13.492 6.102 776 HB1 ALA 98 3HB ALA 98 -8.424 -11.460 7.209 777 HB2 ALA 98 1HB ALA 98 -9.729 -12.626 6.997 778 HB3 ALA 98 2HB ALA 98 -9.616 -11.221 5.930 779 H SER 99 H SER 99 -8.817 -12.009 3.194 780 HA SER 99 HA SER 99 -10.745 -14.081 2.541 781 HB2 SER 99 2HB SER 99 -9.547 -11.880 0.787 782 HB3 SER 99 3HB SER 99 -10.963 -12.871 0.408 783 HG SER 99 HG SER 99 -10.744 -10.658 2.014 784 H GLY 100 H GLY 100 -7.364 -13.367 2.035 785 HA2 GLY 100 2HA GLY 100 -5.632 -14.673 1.295 786 HA3 GLY 100 3HA GLY 100 -6.761 -16.006 1.103 787 H LEU 101 H LEU 101 -7.140 -12.860 -0.414 788 HA LEU 101 HA LEU 101 -7.462 -13.943 -3.040 789 HB2 LEU 101 2HB LEU 101 -7.152 -11.064 -2.077 790 HB3 LEU 101 3HB LEU 101 -7.575 -11.509 -3.721 791 HG LEU 101 HG LEU 101 -9.279 -12.059 -1.260 792 HD11 LEU 101 1HD1 LEU 101 -10.806 -10.350 -2.169 793 HD12 LEU 101 2HD1 LEU 101 -9.659 -10.007 -3.467 794 HD13 LEU 101 3HD1 LEU 101 -9.220 -9.676 -1.789 795 HD21 LEU 101 3HD2 LEU 101 -9.609 -13.799 -2.949 796 HD22 LEU 101 1HD2 LEU 101 -9.896 -12.576 -4.190 797 HD23 LEU 101 2HD2 LEU 101 -11.030 -12.765 -2.850 798 HA PRO 102 HA PRO 102 -3.190 -13.828 -4.499 799 HB2 PRO 102 2HB PRO 102 -3.563 -13.032 -7.147 800 HB3 PRO 102 3HB PRO 102 -3.829 -14.684 -6.563 801 HG2 PRO 102 2HG PRO 102 -5.837 -12.517 -7.046 802 HG3 PRO 102 3HG PRO 102 -5.938 -14.251 -7.430 803 HD2 PRO 102 2HD PRO 102 -7.189 -13.213 -5.277 804 HD3 PRO 102 3HD PRO 102 -6.481 -14.842 -5.235 805 H LEU 103 H LEU 103 -1.902 -12.284 -3.734 806 HA LEU 103 HA LEU 103 -2.357 -9.582 -3.386 807 HB2 LEU 103 2HB LEU 103 -0.536 -11.201 -2.442 808 HB3 LEU 103 3HB LEU 103 0.407 -10.775 -3.852 809 HG LEU 103 HG LEU 103 1.086 -9.547 -1.796 810 HD11 LEU 103 1HD1 LEU 103 1.545 -8.489 -3.954 811 HD12 LEU 103 2HD1 LEU 103 1.232 -7.292 -2.698 812 HD13 LEU 103 3HD1 LEU 103 -0.017 -7.665 -3.894 813 HD21 LEU 103 3HD2 LEU 103 -0.339 -7.843 -0.789 814 HD22 LEU 103 1HD2 LEU 103 -1.116 -9.423 -0.712 815 HD23 LEU 103 2HD2 LEU 103 -1.648 -8.237 -1.906 816 H VAL 104 H VAL 104 -0.602 -11.195 -5.982 817 HA VAL 104 HA VAL 104 -1.048 -8.915 -7.826 818 HB VAL 104 HB VAL 104 1.353 -10.818 -7.660 819 HG11 VAL 104 1HG1 VAL 104 2.311 -9.623 -9.583 820 HG12 VAL 104 2HG1 VAL 104 0.838 -8.666 -9.746 821 HG13 VAL 104 3HG1 VAL 104 0.794 -10.409 -10.019 822 HG21 VAL 104 3HG2 VAL 104 1.444 -8.989 -6.006 823 HG22 VAL 104 1HG2 VAL 104 1.241 -7.797 -7.290 824 HG23 VAL 104 2HG2 VAL 104 2.694 -8.793 -7.232 825 H THR 105 H THR 105 -2.076 -9.454 -9.696 826 HA THR 105 HA THR 105 -2.728 -12.279 -10.272 827 HB THR 105 HB THR 105 -4.333 -11.182 -11.978 828 HG1 THR 105 HG1 THR 105 -4.622 -9.023 -11.905 829 HG21 THR 105 3HG2 THR 105 -4.755 -10.564 -9.029 830 HG22 THR 105 1HG2 THR 105 -5.160 -12.079 -9.838 831 HG23 THR 105 2HG2 THR 105 -6.022 -10.598 -10.256 832 H GLU 106 H GLU 106 -1.453 -9.340 -11.865 833 HA GLU 106 HA GLU 106 -0.289 -11.004 -14.044 834 HB2 GLU 106 2HB GLU 106 -1.391 -8.152 -14.173 835 HB3 GLU 106 3HB GLU 106 -0.565 -8.970 -15.498 836 HG2 GLU 106 2HG GLU 106 -2.343 -10.640 -15.637 837 HG3 GLU 106 3HG GLU 106 -3.135 -9.942 -14.227 838 H GLU 107 H GLU 107 1.824 -10.563 -14.685 839 HA GLU 107 HA GLU 107 3.543 -9.317 -12.741 840 HB2 GLU 107 2HB GLU 107 4.217 -10.577 -15.431 841 HB3 GLU 107 3HB GLU 107 5.401 -10.081 -14.227 842 HG2 GLU 107 2HG GLU 107 3.323 -12.262 -13.925 843 HG3 GLU 107 3HG GLU 107 5.060 -12.487 -14.123 Start of MODEL 3 1 H1 MET 1 1H MET 1 -18.384 -22.253 6.862 2 H2 MET 1 2H MET 1 -18.798 -21.881 5.269 3 H3 MET 1 3H MET 1 -18.370 -23.462 5.683 4 HA MET 1 HA MET 1 -20.735 -23.249 5.390 5 HB2 MET 1 2HB MET 1 -19.916 -24.948 6.966 6 HB3 MET 1 3HB MET 1 -19.815 -23.755 8.255 7 HG2 MET 1 2HG MET 1 -21.773 -25.227 8.516 8 HG3 MET 1 3HG MET 1 -22.253 -23.541 8.286 9 HE1 MET 1 3HE MET 1 -25.175 -25.340 6.450 10 HE2 MET 1 1HE MET 1 -24.706 -24.239 7.744 11 HE3 MET 1 2HE MET 1 -24.371 -25.967 7.889 12 H GLY 2 H GLY 2 -19.952 -21.649 8.499 13 HA2 GLY 2 2HA GLY 2 -22.208 -19.786 8.200 14 HA3 GLY 2 3HA GLY 2 -21.198 -20.026 9.622 15 H HIS 3 H HIS 3 -21.888 -17.485 8.556 16 HA HIS 3 HA HIS 3 -19.650 -16.430 7.047 17 HB2 HIS 3 2HB HIS 3 -21.943 -14.990 8.457 18 HB3 HIS 3 3HB HIS 3 -20.731 -14.193 7.456 19 HD1 HIS 3 HD1 HIS 3 -23.713 -14.032 6.757 20 HD2 HIS 3 HD2 HIS 3 -21.120 -16.865 5.182 21 HE1 HIS 3 HE1 HIS 3 -24.726 -14.736 4.576 22 HE2 HIS 3 HE2 HIS 3 -23.057 -16.330 3.578 23 H HIS 4 H HIS 4 -18.184 -14.831 7.809 24 HA HIS 4 HA HIS 4 -17.204 -15.437 10.494 25 HB2 HIS 4 2HB HIS 4 -15.899 -13.696 8.352 26 HB3 HIS 4 3HB HIS 4 -15.127 -14.393 9.774 27 HD1 HIS 4 HD1 HIS 4 -15.817 -15.045 6.244 28 HD2 HIS 4 HD2 HIS 4 -14.864 -17.320 9.583 29 HE1 HIS 4 HE1 HIS 4 -15.100 -17.282 5.356 30 HE2 HIS 4 HE2 HIS 4 -14.365 -18.566 7.385 31 H HIS 5 H HIS 5 -18.900 -14.352 11.644 32 HA HIS 5 HA HIS 5 -18.668 -11.406 11.800 33 HB2 HIS 5 2HB HIS 5 -20.584 -13.331 13.203 34 HB3 HIS 5 3HB HIS 5 -20.554 -11.592 13.471 35 HD1 HIS 5 HD1 HIS 5 -22.822 -13.571 12.127 36 HD2 HIS 5 HD2 HIS 5 -20.530 -10.629 10.305 37 HE1 HIS 5 HE1 HIS 5 -24.119 -12.863 10.102 38 HE2 HIS 5 HE2 HIS 5 -22.812 -10.943 9.149 39 H HIS 6 H HIS 6 -16.657 -13.527 12.567 40 HA HIS 6 HA HIS 6 -15.855 -12.348 15.140 41 HB2 HIS 6 2HB HIS 6 -16.681 -14.653 15.584 42 HB3 HIS 6 3HB HIS 6 -15.648 -15.294 14.315 43 HD1 HIS 6 HD1 HIS 6 -15.715 -14.570 17.914 44 HD2 HIS 6 HD2 HIS 6 -12.806 -15.232 15.022 45 HE1 HIS 6 HE1 HIS 6 -13.633 -15.194 19.167 46 HE2 HIS 6 HE2 HIS 6 -11.919 -15.669 17.395 47 H HIS 7 H HIS 7 -14.543 -10.873 13.971 48 HA HIS 7 HA HIS 7 -12.857 -11.737 11.832 49 HB2 HIS 7 2HB HIS 7 -11.941 -9.470 11.756 50 HB3 HIS 7 3HB HIS 7 -13.691 -9.429 11.847 51 HD1 HIS 7 HD1 HIS 7 -10.778 -7.867 13.238 52 HD2 HIS 7 HD2 HIS 7 -14.585 -8.771 14.639 53 HE1 HIS 7 HE1 HIS 7 -11.145 -6.378 15.222 54 HE2 HIS 7 HE2 HIS 7 -13.443 -6.956 16.062 55 H HIS 8 H HIS 8 -11.587 -13.334 12.482 56 HA HIS 8 HA HIS 8 -9.636 -12.983 14.655 57 HB2 HIS 8 2HB HIS 8 -9.215 -15.377 14.424 58 HB3 HIS 8 3HB HIS 8 -10.943 -15.104 14.549 59 HD1 HIS 8 HD1 HIS 8 -8.867 -17.324 12.941 60 HD2 HIS 8 HD2 HIS 8 -11.926 -14.889 11.529 61 HE1 HIS 8 HE1 HIS 8 -9.636 -18.375 10.799 62 HE2 HIS 8 HE2 HIS 8 -11.310 -16.755 9.857 63 H SER 9 H SER 9 -9.373 -11.300 12.450 64 HA SER 9 HA SER 9 -7.529 -12.165 10.476 65 HB2 SER 9 2HB SER 9 -7.277 -9.626 10.125 66 HB3 SER 9 3HB SER 9 -8.920 -10.254 9.991 67 HG SER 9 HG SER 9 -8.533 -8.285 11.344 68 H HIS 10 H HIS 10 -5.840 -13.189 11.527 69 HA HIS 10 HA HIS 10 -4.305 -12.024 13.668 70 HB2 HIS 10 2HB HIS 10 -4.702 -14.504 13.347 71 HB3 HIS 10 3HB HIS 10 -3.651 -14.456 11.941 72 HD1 HIS 10 HD1 HIS 10 -1.102 -14.238 12.358 73 HD2 HIS 10 HD2 HIS 10 -3.380 -14.386 15.828 74 HE1 HIS 10 HE1 HIS 10 0.514 -14.729 14.213 75 HE2 HIS 10 HE2 HIS 10 -0.869 -14.643 16.309 76 H MET 11 H MET 11 -3.922 -10.032 12.525 77 HA MET 11 HA MET 11 -1.604 -9.961 10.719 78 HB2 MET 11 2HB MET 11 -4.305 -8.631 10.187 79 HB3 MET 11 3HB MET 11 -2.826 -8.178 9.351 80 HG2 MET 11 2HG MET 11 -4.029 -10.956 9.244 81 HG3 MET 11 3HG MET 11 -4.339 -9.695 8.051 82 HE1 MET 11 3HE MET 11 -1.451 -8.274 7.826 83 HE2 MET 11 1HE MET 11 -2.436 -8.695 6.421 84 HE3 MET 11 2HE MET 11 -0.749 -9.197 6.497 85 H PHE 12 H PHE 12 -0.194 -8.758 11.863 86 HA PHE 12 HA PHE 12 -1.095 -6.231 13.113 87 HB2 PHE 12 2HB PHE 12 1.048 -6.157 14.283 88 HB3 PHE 12 3HB PHE 12 0.315 -7.726 14.565 89 HD1 PHE 12 HD2 PHE 12 1.239 -9.760 13.345 90 HD2 PHE 12 HD1 PHE 12 3.227 -5.965 13.259 91 HE1 PHE 12 HE2 PHE 12 3.315 -10.849 12.594 92 HE2 PHE 12 HE1 PHE 12 5.291 -7.068 12.507 93 HZ PHE 12 HZ PHE 12 5.334 -9.508 12.175 94 H ILE 13 H ILE 13 -0.575 -4.326 12.118 95 HA ILE 13 HA ILE 13 1.385 -4.337 9.907 96 HB ILE 13 HB ILE 13 -1.154 -2.635 9.966 97 HG12 ILE 13 2HG1 ILE 13 -0.574 -5.052 8.189 98 HG13 ILE 13 3HG1 ILE 13 -1.661 -5.069 9.571 99 HG21 ILE 13 1HG2 ILE 13 -0.519 -2.026 7.644 100 HG22 ILE 13 2HG2 ILE 13 0.946 -3.001 7.786 101 HG23 ILE 13 3HG2 ILE 13 0.740 -1.566 8.793 102 HD11 ILE 13 3HD1 ILE 13 -2.882 -4.910 7.499 103 HD12 ILE 13 1HD1 ILE 13 -2.025 -3.430 7.065 104 HD13 ILE 13 2HD1 ILE 13 -3.108 -3.451 8.461 105 H GLN 14 H GLN 14 3.072 -3.265 10.690 106 HA GLN 14 HA GLN 14 2.712 -1.069 12.640 107 HB2 GLN 14 2HB GLN 14 5.071 -1.470 13.278 108 HB3 GLN 14 3HB GLN 14 4.107 -2.933 13.460 109 HG2 GLN 14 2HG GLN 14 5.031 -3.840 11.393 110 HG3 GLN 14 3HG GLN 14 5.939 -2.353 11.121 111 HE21 GLN 14 1HE2 GLN 14 5.710 -5.248 13.064 112 HE22 GLN 14 2HE2 GLN 14 7.296 -5.150 13.740 113 H THR 15 H THR 15 3.878 0.858 12.330 114 HA THR 15 HA THR 15 4.590 1.475 9.529 115 HB THR 15 HB THR 15 4.359 3.903 10.315 116 HG1 THR 15 HG1 THR 15 4.533 3.371 12.611 117 HG21 THR 15 3HG2 THR 15 1.894 3.872 10.261 118 HG22 THR 15 1HG2 THR 15 1.898 2.135 10.565 119 HG23 THR 15 2HG2 THR 15 2.561 2.770 9.057 120 H GLN 16 H GLN 16 6.582 2.121 8.983 121 HA GLN 16 HA GLN 16 8.579 2.746 11.082 122 HB2 GLN 16 2HB GLN 16 9.059 0.522 10.183 123 HB3 GLN 16 3HB GLN 16 8.989 1.126 8.531 124 HG2 GLN 16 2HG GLN 16 10.997 2.497 8.932 125 HG3 GLN 16 3HG GLN 16 11.043 1.958 10.608 126 HE21 GLN 16 1HE2 GLN 16 11.756 -0.133 11.076 127 HE22 GLN 16 2HE2 GLN 16 12.600 -1.092 9.909 128 H ASP 17 H ASP 17 9.888 4.471 10.688 129 HA ASP 17 HA ASP 17 9.138 6.552 8.991 130 HB2 ASP 17 2HB ASP 17 10.429 7.055 10.956 131 HB3 ASP 17 3HB ASP 17 11.723 5.966 10.472 132 H THR 18 H THR 18 9.576 7.040 6.987 133 HA THR 18 HA THR 18 11.392 5.409 5.312 134 HB THR 18 HB THR 18 8.983 6.869 4.182 135 HG1 THR 18 HG1 THR 18 8.865 4.892 6.085 136 HG21 THR 18 3HG2 THR 18 10.471 5.598 2.638 137 HG22 THR 18 1HG2 THR 18 8.825 4.950 2.665 138 HG23 THR 18 2HG2 THR 18 10.114 4.124 3.547 139 HA PRO 19 HA PRO 19 13.879 9.029 4.745 140 HB2 PRO 19 2HB PRO 19 13.932 8.503 1.777 141 HB3 PRO 19 3HB PRO 19 15.285 8.690 2.914 142 HG2 PRO 19 2HG PRO 19 14.654 6.269 2.045 143 HG3 PRO 19 3HG PRO 19 15.061 6.512 3.762 144 HD2 PRO 19 2HD PRO 19 12.335 6.208 2.500 145 HD3 PRO 19 3HD PRO 19 12.961 5.479 3.994 146 H ASN 20 H ASN 20 11.316 8.833 2.220 147 HA ASN 20 HA ASN 20 10.980 11.754 2.253 148 HB2 ASN 20 2HB ASN 20 9.565 9.560 0.678 149 HB3 ASN 20 3HB ASN 20 9.076 11.252 0.611 150 HD21 ASN 20 1HD2 ASN 20 10.579 12.798 -0.270 151 HD22 ASN 20 2HD2 ASN 20 11.801 12.288 -1.382 152 HA PRO 21 HA PRO 21 7.771 11.336 5.494 153 HB2 PRO 21 2HB PRO 21 6.856 13.935 5.472 154 HB3 PRO 21 3HB PRO 21 8.381 13.452 6.241 155 HG2 PRO 21 2HG PRO 21 7.959 14.684 3.534 156 HG3 PRO 21 3HG PRO 21 9.173 15.079 4.771 157 HD2 PRO 21 2HD PRO 21 9.779 13.530 2.626 158 HD3 PRO 21 3HD PRO 21 10.539 13.274 4.213 159 H ASN 22 H ASN 22 7.199 12.389 2.189 160 HA ASN 22 HA ASN 22 4.319 12.181 2.290 161 HB2 ASN 22 2HB ASN 22 6.258 12.308 -0.054 162 HB3 ASN 22 3HB ASN 22 4.523 12.091 -0.288 163 HD21 ASN 22 1HD2 ASN 22 6.060 14.285 -1.248 164 HD22 ASN 22 2HD2 ASN 22 5.455 15.718 -0.499 165 H SER 23 H SER 23 6.900 9.937 2.032 166 HA SER 23 HA SER 23 5.103 7.716 1.210 167 HB2 SER 23 2HB SER 23 8.156 7.789 1.363 168 HB3 SER 23 3HB SER 23 7.179 6.443 0.775 169 HG SER 23 HG SER 23 6.580 7.610 -0.972 170 H LEU 24 H LEU 24 4.723 6.040 2.637 171 HA LEU 24 HA LEU 24 6.305 5.874 5.127 172 HB2 LEU 24 2HB LEU 24 4.205 7.155 5.577 173 HB3 LEU 24 3HB LEU 24 3.264 5.773 5.041 174 HG LEU 24 HG LEU 24 4.118 4.433 6.951 175 HD11 LEU 24 1HD1 LEU 24 5.594 6.946 7.784 176 HD12 LEU 24 2HD1 LEU 24 6.323 5.436 7.228 177 HD13 LEU 24 3HD1 LEU 24 5.431 5.472 8.746 178 HD21 LEU 24 3HD2 LEU 24 2.044 5.710 7.216 179 HD22 LEU 24 1HD2 LEU 24 2.959 7.099 7.806 180 HD23 LEU 24 2HD2 LEU 24 2.922 5.600 8.739 181 H LYS 25 H LYS 25 6.878 3.860 5.645 182 HA LYS 25 HA LYS 25 6.057 1.624 3.984 183 HB2 LYS 25 2HB LYS 25 8.444 1.929 4.360 184 HB3 LYS 25 3HB LYS 25 8.216 1.953 6.106 185 HG2 LYS 25 2HG LYS 25 7.504 -0.422 6.035 186 HG3 LYS 25 3HG LYS 25 7.768 -0.454 4.293 187 HD2 LYS 25 2HD LYS 25 9.960 0.205 6.295 188 HD3 LYS 25 3HD LYS 25 9.627 -1.438 5.743 189 HE2 LYS 25 2HE LYS 25 10.404 0.878 3.936 190 HE3 LYS 25 3HE LYS 25 11.501 -0.376 4.518 191 HZ1 LYS 25 3HZ LYS 25 10.753 -0.907 2.316 192 HZ2 LYS 25 1HZ LYS 25 9.130 -0.801 2.781 193 HZ3 LYS 25 2HZ LYS 25 10.108 -2.031 3.400 194 H PHE 26 H PHE 26 4.356 0.473 4.592 195 HA PHE 26 HA PHE 26 3.643 0.001 7.417 196 HB2 PHE 26 2HB PHE 26 2.053 -0.563 4.859 197 HB3 PHE 26 3HB PHE 26 1.452 -0.728 6.503 198 HD1 PHE 26 HD1 PHE 26 0.873 1.262 7.836 199 HD2 PHE 26 HD2 PHE 26 2.247 1.658 3.802 200 HE1 PHE 26 HE1 PHE 26 0.043 3.576 7.773 201 HE2 PHE 26 HE2 PHE 26 1.417 3.973 3.755 202 HZ PHE 26 HZ PHE 26 0.312 4.932 5.734 203 H ILE 27 H ILE 27 4.749 -1.830 8.128 204 HA ILE 27 HA ILE 27 5.286 -4.072 6.345 205 HB ILE 27 HB ILE 27 5.860 -3.882 9.347 206 HG12 ILE 27 2HG1 ILE 27 8.338 -3.661 8.519 207 HG13 ILE 27 3HG1 ILE 27 7.643 -3.181 6.979 208 HG21 ILE 27 1HG2 ILE 27 5.694 -6.204 8.542 209 HG22 ILE 27 2HG2 ILE 27 7.359 -5.820 8.983 210 HG23 ILE 27 3HG2 ILE 27 6.889 -5.867 7.283 211 HD11 ILE 27 3HD1 ILE 27 6.602 -1.252 8.033 212 HD12 ILE 27 1HD1 ILE 27 8.340 -1.275 8.340 213 HD13 ILE 27 2HD1 ILE 27 7.215 -1.763 9.609 214 HA PRO 28 HA PRO 28 1.217 -5.622 7.808 215 HB2 PRO 28 2HB PRO 28 0.680 -7.334 5.804 216 HB3 PRO 28 3HB PRO 28 0.718 -5.584 5.490 217 HG2 PRO 28 2HG PRO 28 2.879 -7.622 4.982 218 HG3 PRO 28 3HG PRO 28 2.252 -6.371 3.886 219 HD2 PRO 28 2HD PRO 28 4.532 -6.026 5.384 220 HD3 PRO 28 3HD PRO 28 3.486 -4.676 4.890 221 H GLY 29 H GLY 29 4.193 -7.091 7.965 222 HA2 GLY 29 2HA GLY 29 4.931 -8.832 9.289 223 HA3 GLY 29 3HA GLY 29 3.271 -9.350 9.553 224 H LYS 30 H LYS 30 2.234 -9.988 7.257 225 HA LYS 30 HA LYS 30 3.602 -12.364 6.411 226 HB2 LYS 30 2HB LYS 30 1.011 -11.060 5.478 227 HB3 LYS 30 3HB LYS 30 1.619 -12.568 4.798 228 HG2 LYS 30 2HG LYS 30 1.531 -13.580 7.088 229 HG3 LYS 30 3HG LYS 30 0.786 -12.089 7.678 230 HD2 LYS 30 2HD LYS 30 -1.142 -12.429 6.202 231 HD3 LYS 30 3HD LYS 30 -0.384 -13.854 5.486 232 HE2 LYS 30 2HE LYS 30 -2.088 -14.524 7.105 233 HE3 LYS 30 3HE LYS 30 -0.489 -14.996 7.679 234 HZ1 LYS 30 3HZ LYS 30 -2.098 -12.675 8.599 235 HZ2 LYS 30 1HZ LYS 30 -0.508 -12.983 9.089 236 HZ3 LYS 30 2HZ LYS 30 -1.738 -14.073 9.474 237 HA PRO 31 HA PRO 31 6.117 -10.711 3.029 238 HB2 PRO 31 2HB PRO 31 5.450 -13.398 1.808 239 HB3 PRO 31 3HB PRO 31 7.032 -12.626 2.034 240 HG2 PRO 31 2HG PRO 31 6.307 -14.604 3.625 241 HG3 PRO 31 3HG PRO 31 7.141 -13.184 4.298 242 HD2 PRO 31 2HD PRO 31 4.223 -13.890 4.421 243 HD3 PRO 31 3HD PRO 31 5.261 -13.154 5.665 244 H VAL 32 H VAL 32 5.774 -9.667 1.047 245 HA VAL 32 HA VAL 32 3.136 -10.049 -0.262 246 HB VAL 32 HB VAL 32 3.145 -7.617 -0.874 247 HG11 VAL 32 1HG1 VAL 32 3.215 -8.175 2.121 248 HG12 VAL 32 2HG1 VAL 32 1.828 -8.406 1.054 249 HG13 VAL 32 3HG1 VAL 32 2.448 -6.783 1.350 250 HG21 VAL 32 3HG2 VAL 32 4.604 -6.034 0.333 251 HG22 VAL 32 1HG2 VAL 32 5.551 -7.138 -0.669 252 HG23 VAL 32 2HG2 VAL 32 5.466 -7.386 1.077 253 H LEU 33 H LEU 33 6.457 -8.755 -1.012 254 HA LEU 33 HA LEU 33 6.477 -10.203 -3.547 255 HB2 LEU 33 2HB LEU 33 6.460 -7.172 -3.433 256 HB3 LEU 33 3HB LEU 33 7.277 -8.012 -4.739 257 HG LEU 33 HG LEU 33 4.298 -8.061 -4.135 258 HD11 LEU 33 1HD1 LEU 33 4.093 -7.018 -6.327 259 HD12 LEU 33 2HD1 LEU 33 5.845 -7.063 -6.542 260 HD13 LEU 33 3HD1 LEU 33 5.135 -6.058 -5.284 261 HD21 LEU 33 3HD2 LEU 33 4.057 -9.517 -6.109 262 HD22 LEU 33 1HD2 LEU 33 4.975 -10.305 -4.827 263 HD23 LEU 33 2HD2 LEU 33 5.815 -9.646 -6.233 264 H GLU 34 H GLU 34 8.160 -11.347 -2.653 265 HA GLU 34 HA GLU 34 10.702 -9.984 -2.025 266 HB2 GLU 34 2HB GLU 34 9.891 -12.910 -1.671 267 HB3 GLU 34 3HB GLU 34 11.427 -12.214 -1.171 268 HG2 GLU 34 2HG GLU 34 9.987 -12.500 0.765 269 HG3 GLU 34 3HG GLU 34 10.251 -10.784 0.464 270 H THR 35 H THR 35 9.147 -12.221 -4.207 271 HA THR 35 HA THR 35 11.347 -13.121 -5.713 272 HB THR 35 HB THR 35 9.173 -14.264 -5.732 273 HG1 THR 35 HG1 THR 35 10.477 -14.578 -7.552 274 HG21 THR 35 3HG2 THR 35 7.245 -13.379 -6.986 275 HG22 THR 35 1HG2 THR 35 8.113 -11.870 -7.276 276 HG23 THR 35 2HG2 THR 35 7.655 -12.323 -5.633 277 H ARG 36 H ARG 36 9.580 -10.115 -5.755 278 HA ARG 36 HA ARG 36 11.290 -8.901 -7.739 279 HB2 ARG 36 2HB ARG 36 9.471 -8.262 -9.288 280 HB3 ARG 36 3HB ARG 36 9.596 -10.015 -9.184 281 HG2 ARG 36 2HG ARG 36 7.653 -10.007 -7.576 282 HG3 ARG 36 3HG ARG 36 7.489 -8.269 -7.845 283 HD2 ARG 36 2HD ARG 36 5.891 -9.501 -9.223 284 HD3 ARG 36 3HD ARG 36 7.081 -8.693 -10.249 285 HE ARG 36 HE ARG 36 7.397 -11.541 -9.529 286 HH11 ARG 36 1HH1 ARG 36 6.928 -9.113 -12.055 287 HH12 ARG 36 2HH1 ARG 36 7.247 -10.235 -13.340 288 HH21 ARG 36 1HH2 ARG 36 7.792 -12.973 -11.224 289 HH22 ARG 36 2HH2 ARG 36 7.734 -12.422 -12.865 290 H THR 37 H THR 37 10.865 -6.556 -7.883 291 HA THR 37 HA THR 37 9.147 -5.429 -5.729 292 HB THR 37 HB THR 37 10.458 -3.277 -6.102 293 HG1 THR 37 HG1 THR 37 12.375 -3.397 -7.282 294 HG21 THR 37 3HG2 THR 37 12.153 -5.659 -5.259 295 HG22 THR 37 1HG2 THR 37 11.034 -4.778 -4.213 296 HG23 THR 37 2HG2 THR 37 12.464 -3.969 -4.856 297 H MET 38 H MET 38 7.587 -3.832 -6.337 298 HA MET 38 HA MET 38 7.151 -3.318 -9.192 299 HB2 MET 38 2HB MET 38 5.194 -4.852 -7.431 300 HB3 MET 38 3HB MET 38 4.659 -3.990 -8.861 301 HG2 MET 38 2HG MET 38 6.085 -5.399 -10.269 302 HG3 MET 38 3HG MET 38 6.693 -6.236 -8.843 303 HE1 MET 38 3HE MET 38 2.305 -6.513 -10.236 304 HE2 MET 38 1HE MET 38 3.512 -5.509 -11.035 305 HE3 MET 38 2HE MET 38 2.956 -5.099 -9.413 306 H ASP 39 H ASP 39 6.531 -1.320 -9.463 307 HA ASP 39 HA ASP 39 5.333 0.233 -7.233 308 HB2 ASP 39 2HB ASP 39 6.345 2.256 -8.180 309 HB3 ASP 39 3HB ASP 39 7.596 1.052 -7.901 310 H PHE 40 H PHE 40 3.604 1.483 -7.667 311 HA PHE 40 HA PHE 40 2.322 1.424 -10.334 312 HB2 PHE 40 2HB PHE 40 0.823 1.328 -7.672 313 HB3 PHE 40 3HB PHE 40 0.134 1.188 -9.286 314 HD1 PHE 40 HD2 PHE 40 0.680 -0.886 -10.674 315 HD2 PHE 40 HD1 PHE 40 1.592 -0.607 -6.505 316 HE1 PHE 40 HE2 PHE 40 0.896 -3.334 -10.548 317 HE2 PHE 40 HE1 PHE 40 1.815 -3.043 -6.401 318 HZ PHE 40 HZ PHE 40 1.467 -4.410 -8.410 319 HA PRO 41 HA PRO 41 2.999 5.832 -9.039 320 HB2 PRO 41 2HB PRO 41 3.259 6.842 -11.576 321 HB3 PRO 41 3HB PRO 41 4.598 6.024 -10.742 322 HG2 PRO 41 2HG PRO 41 2.693 4.889 -12.782 323 HG3 PRO 41 3HG PRO 41 4.467 4.750 -12.704 324 HD2 PRO 41 2HD PRO 41 2.849 2.763 -11.818 325 HD3 PRO 41 3HD PRO 41 4.405 3.119 -11.033 326 H THR 42 H THR 42 0.827 4.355 -11.335 327 HA THR 42 HA THR 42 -1.269 6.395 -10.913 328 HB THR 42 HB THR 42 -1.979 5.924 -13.292 329 HG1 THR 42 HG1 THR 42 0.059 4.988 -14.502 330 HG21 THR 42 3HG2 THR 42 -0.593 7.920 -12.860 331 HG22 THR 42 1HG2 THR 42 -0.215 7.211 -14.431 332 HG23 THR 42 2HG2 THR 42 0.873 6.956 -13.066 333 HA PRO 43 HA PRO 43 -3.877 2.794 -9.953 334 HB2 PRO 43 2HB PRO 43 -6.352 3.661 -10.740 335 HB3 PRO 43 3HB PRO 43 -5.528 4.333 -9.313 336 HG2 PRO 43 2HG PRO 43 -5.629 5.452 -12.109 337 HG3 PRO 43 3HG PRO 43 -5.932 6.281 -10.564 338 HD2 PRO 43 2HD PRO 43 -3.538 6.480 -11.798 339 HD3 PRO 43 3HD PRO 43 -3.653 6.405 -10.024 340 H ALA 44 H ALA 44 -3.454 4.045 -13.125 341 HA ALA 44 HA ALA 44 -4.963 2.155 -14.634 342 HB1 ALA 44 3HB ALA 44 -3.754 3.090 -16.564 343 HB2 ALA 44 1HB ALA 44 -2.643 3.928 -15.474 344 HB3 ALA 44 2HB ALA 44 -4.350 4.372 -15.509 345 H ALA 45 H ALA 45 -1.621 2.293 -13.449 346 HA ALA 45 HA ALA 45 -0.764 -0.124 -14.799 347 HB1 ALA 45 3HB ALA 45 0.587 1.555 -12.652 348 HB2 ALA 45 1HB ALA 45 0.812 1.725 -14.396 349 HB3 ALA 45 2HB ALA 45 1.351 0.259 -13.575 350 H ALA 46 H ALA 46 -2.492 0.605 -11.957 351 HA ALA 46 HA ALA 46 -1.522 -1.378 -10.178 352 HB1 ALA 46 3HB ALA 46 -4.146 0.125 -10.110 353 HB2 ALA 46 1HB ALA 46 -2.618 0.688 -9.425 354 HB3 ALA 46 2HB ALA 46 -3.408 -0.746 -8.762 355 H PHE 47 H PHE 47 -3.356 -1.860 -12.950 356 HA PHE 47 HA PHE 47 -5.332 -3.689 -12.260 357 HB2 PHE 47 2HB PHE 47 -5.323 -4.432 -14.578 358 HB3 PHE 47 3HB PHE 47 -5.075 -2.696 -14.524 359 HD1 PHE 47 HD1 PHE 47 -2.650 -1.817 -14.783 360 HD2 PHE 47 HD2 PHE 47 -3.794 -5.810 -15.783 361 HE1 PHE 47 HE1 PHE 47 -0.662 -2.033 -16.213 362 HE2 PHE 47 HE2 PHE 47 -1.807 -6.019 -17.205 363 HZ PHE 47 HZ PHE 47 -0.237 -4.135 -17.423 364 H ARG 48 H ARG 48 -1.900 -4.210 -12.370 365 HA ARG 48 HA ARG 48 -1.902 -7.055 -12.616 366 HB2 ARG 48 2HB ARG 48 0.256 -5.134 -11.642 367 HB3 ARG 48 3HB ARG 48 0.518 -6.844 -11.990 368 HG2 ARG 48 2HG ARG 48 0.010 -6.524 -14.334 369 HG3 ARG 48 3HG ARG 48 -0.496 -4.857 -14.050 370 HD2 ARG 48 2HD ARG 48 1.704 -4.851 -15.046 371 HD3 ARG 48 3HD ARG 48 1.826 -4.302 -13.375 372 HE ARG 48 HE ARG 48 2.357 -7.129 -13.761 373 HH11 ARG 48 1HH1 ARG 48 3.792 -3.895 -13.658 374 HH12 ARG 48 2HH1 ARG 48 5.388 -4.492 -13.328 375 HH21 ARG 48 1HH2 ARG 48 4.467 -7.876 -13.331 376 HH22 ARG 48 2HH2 ARG 48 5.766 -6.744 -13.147 377 H SER 49 H SER 49 -2.558 -4.965 -9.958 378 HA SER 49 HA SER 49 -2.490 -7.232 -8.068 379 HB2 SER 49 2HB SER 49 -0.507 -5.996 -7.496 380 HB3 SER 49 3HB SER 49 -1.352 -4.451 -7.603 381 HG SER 49 HG SER 49 -1.210 -6.234 -5.526 382 HA PRO 50 HA PRO 50 -6.761 -5.676 -7.465 383 HB2 PRO 50 2HB PRO 50 -7.262 -7.506 -5.358 384 HB3 PRO 50 3HB PRO 50 -7.611 -7.777 -7.075 385 HG2 PRO 50 2HG PRO 50 -5.298 -8.725 -5.454 386 HG3 PRO 50 3HG PRO 50 -6.145 -9.526 -6.793 387 HD2 PRO 50 2HD PRO 50 -3.712 -8.374 -7.126 388 HD3 PRO 50 3HD PRO 50 -4.924 -8.399 -8.426 389 H LEU 51 H LEU 51 -4.338 -6.266 -4.889 390 HA LEU 51 HA LEU 51 -5.629 -4.781 -2.838 391 HB2 LEU 51 2HB LEU 51 -3.887 -6.461 -2.328 392 HB3 LEU 51 3HB LEU 51 -2.683 -5.484 -3.149 393 HG LEU 51 HG LEU 51 -2.929 -3.704 -1.412 394 HD11 LEU 51 1HD1 LEU 51 -4.853 -5.597 -0.038 395 HD12 LEU 51 2HD1 LEU 51 -5.255 -4.049 -0.782 396 HD13 LEU 51 3HD1 LEU 51 -4.212 -4.095 0.635 397 HD21 LEU 51 3HD2 LEU 51 -1.849 -4.868 0.450 398 HD22 LEU 51 1HD2 LEU 51 -1.205 -5.413 -1.099 399 HD23 LEU 51 2HD2 LEU 51 -2.347 -6.428 -0.213 400 H ALA 52 H ALA 52 -3.166 -3.964 -5.274 401 HA ALA 52 HA ALA 52 -2.476 -1.384 -4.418 402 HB1 ALA 52 3HB ALA 52 -1.220 -2.630 -6.126 403 HB2 ALA 52 1HB ALA 52 -1.664 -1.024 -6.708 404 HB3 ALA 52 2HB ALA 52 -2.559 -2.444 -7.262 405 H ARG 53 H ARG 53 -5.018 -2.439 -6.707 406 HA ARG 53 HA ARG 53 -6.047 0.113 -7.350 407 HB2 ARG 53 2HB ARG 53 -7.299 -2.654 -7.467 408 HB3 ARG 53 3HB ARG 53 -8.168 -1.212 -7.985 409 HG2 ARG 53 2HG ARG 53 -6.332 -0.765 -9.636 410 HG3 ARG 53 3HG ARG 53 -5.608 -2.312 -9.183 411 HD2 ARG 53 2HD ARG 53 -6.999 -2.429 -11.262 412 HD3 ARG 53 3HD ARG 53 -7.546 -3.518 -9.987 413 HE ARG 53 HE ARG 53 -9.458 -2.234 -9.687 414 HH11 ARG 53 1HH1 ARG 53 -7.436 -0.758 -12.182 415 HH12 ARG 53 2HH1 ARG 53 -8.705 0.280 -12.752 416 HH21 ARG 53 1HH2 ARG 53 -11.077 -0.854 -10.415 417 HH22 ARG 53 2HH2 ARG 53 -10.776 0.224 -11.743 418 H GLN 54 H GLN 54 -6.797 -2.132 -4.719 419 HA GLN 54 HA GLN 54 -9.113 -0.758 -3.741 420 HB2 GLN 54 2HB GLN 54 -7.254 -2.759 -2.393 421 HB3 GLN 54 3HB GLN 54 -8.761 -2.182 -1.685 422 HG2 GLN 54 2HG GLN 54 -10.040 -3.177 -3.509 423 HG3 GLN 54 3HG GLN 54 -8.556 -3.689 -4.308 424 HE21 GLN 54 1HE2 GLN 54 -10.783 -5.328 -3.436 425 HE22 GLN 54 2HE2 GLN 54 -10.148 -6.481 -2.316 426 H LEU 55 H LEU 55 -5.655 -0.533 -3.084 427 HA LEU 55 HA LEU 55 -5.865 1.307 -0.889 428 HB2 LEU 55 2HB LEU 55 -3.514 0.604 -2.691 429 HB3 LEU 55 3HB LEU 55 -3.386 1.670 -1.298 430 HG LEU 55 HG LEU 55 -4.180 -1.270 -1.184 431 HD11 LEU 55 1HD1 LEU 55 -1.571 0.037 -0.362 432 HD12 LEU 55 2HD1 LEU 55 -1.822 -0.996 -1.772 433 HD13 LEU 55 3HD1 LEU 55 -2.003 -1.664 -0.152 434 HD21 LEU 55 3HD2 LEU 55 -5.249 -0.001 0.610 435 HD22 LEU 55 1HD2 LEU 55 -3.692 0.682 1.090 436 HD23 LEU 55 2HD2 LEU 55 -3.991 -1.050 1.254 437 H PHE 56 H PHE 56 -5.520 1.702 -4.425 438 HA PHE 56 HA PHE 56 -5.194 4.533 -4.427 439 HB2 PHE 56 2HB PHE 56 -6.010 2.539 -6.549 440 HB3 PHE 56 3HB PHE 56 -6.193 4.257 -6.875 441 HD1 PHE 56 HD1 PHE 56 -4.058 5.743 -6.445 442 HD2 PHE 56 HD2 PHE 56 -3.935 1.511 -7.074 443 HE1 PHE 56 HE1 PHE 56 -1.709 5.905 -7.147 444 HE2 PHE 56 HE2 PHE 56 -1.584 1.691 -7.763 445 HZ PHE 56 HZ PHE 56 -0.473 3.884 -7.801 446 H ARG 57 H ARG 57 -7.984 2.526 -3.952 447 HA ARG 57 HA ARG 57 -10.061 4.340 -4.571 448 HB2 ARG 57 2HB ARG 57 -9.961 2.080 -2.542 449 HB3 ARG 57 3HB ARG 57 -11.428 2.972 -2.932 450 HG2 ARG 57 2HG ARG 57 -11.285 2.193 -5.272 451 HG3 ARG 57 3HG ARG 57 -9.818 1.289 -4.876 452 HD2 ARG 57 2HD ARG 57 -11.793 -0.184 -4.899 453 HD3 ARG 57 3HD ARG 57 -11.078 -0.093 -3.286 454 HE ARG 57 HE ARG 57 -13.339 1.684 -3.901 455 HH11 ARG 57 1HH1 ARG 57 -12.196 -1.194 -2.203 456 HH12 ARG 57 2HH1 ARG 57 -13.583 -1.278 -1.161 457 HH21 ARG 57 1HH2 ARG 57 -15.140 1.568 -2.533 458 HH22 ARG 57 2HH2 ARG 57 -15.259 0.298 -1.354 459 H ILE 58 H ILE 58 -7.756 4.350 -2.008 460 HA ILE 58 HA ILE 58 -9.376 5.715 -0.017 461 HB ILE 58 HB ILE 58 -6.376 5.108 -0.063 462 HG12 ILE 58 2HG1 ILE 58 -8.586 3.539 1.347 463 HG13 ILE 58 3HG1 ILE 58 -7.842 3.054 -0.172 464 HG21 ILE 58 1HG2 ILE 58 -8.140 5.925 2.275 465 HG22 ILE 58 2HG2 ILE 58 -6.916 6.933 1.500 466 HG23 ILE 58 3HG2 ILE 58 -6.435 5.482 2.382 467 HD11 ILE 58 3HD1 ILE 58 -6.934 1.811 1.691 468 HD12 ILE 58 1HD1 ILE 58 -6.425 3.304 2.479 469 HD13 ILE 58 2HD1 ILE 58 -5.691 2.815 0.949 470 H GLU 59 H GLU 59 -9.701 7.870 -0.176 471 HA GLU 59 HA GLU 59 -8.514 9.451 -2.190 472 HB2 GLU 59 2HB GLU 59 -9.828 11.343 -1.199 473 HB3 GLU 59 3HB GLU 59 -10.781 9.915 -1.566 474 HG2 GLU 59 2HG GLU 59 -10.711 9.287 0.855 475 HG3 GLU 59 3HG GLU 59 -9.866 10.801 1.185 476 H GLY 60 H GLY 60 -6.404 9.811 -2.093 477 HA2 GLY 60 2HA GLY 60 -5.000 11.703 -1.003 478 HA3 GLY 60 3HA GLY 60 -5.083 10.649 0.401 479 H VAL 61 H VAL 61 -5.036 8.354 -1.768 480 HA VAL 61 HA VAL 61 -2.190 7.901 -1.474 481 HB VAL 61 HB VAL 61 -4.400 6.185 -2.688 482 HG11 VAL 61 1HG1 VAL 61 -2.275 5.604 -3.786 483 HG12 VAL 61 2HG1 VAL 61 -2.779 4.311 -2.696 484 HG13 VAL 61 3HG1 VAL 61 -1.494 5.420 -2.213 485 HG21 VAL 61 3HG2 VAL 61 -2.914 5.949 -0.043 486 HG22 VAL 61 1HG2 VAL 61 -4.132 4.819 -0.641 487 HG23 VAL 61 2HG2 VAL 61 -4.585 6.480 -0.248 488 H LYS 62 H LYS 62 -0.838 8.762 -2.828 489 HA LYS 62 HA LYS 62 -1.366 9.688 -5.496 490 HB2 LYS 62 2HB LYS 62 0.259 10.739 -3.907 491 HB3 LYS 62 3HB LYS 62 1.271 9.313 -4.003 492 HG2 LYS 62 2HG LYS 62 2.207 11.073 -5.368 493 HG3 LYS 62 3HG LYS 62 1.648 9.768 -6.418 494 HD2 LYS 62 2HD LYS 62 -0.282 11.031 -7.098 495 HD3 LYS 62 3HD LYS 62 -0.015 12.243 -5.842 496 HE2 LYS 62 2HE LYS 62 0.637 13.007 -8.132 497 HE3 LYS 62 3HE LYS 62 1.961 13.067 -6.971 498 HZ1 LYS 62 3HZ LYS 62 2.863 11.058 -7.902 499 HZ2 LYS 62 1HZ LYS 62 2.614 12.173 -9.147 500 HZ3 LYS 62 2HZ LYS 62 1.546 10.885 -8.942 501 H SER 63 H SER 63 0.420 7.031 -4.016 502 HA SER 63 HA SER 63 0.550 5.467 -6.444 503 HB2 SER 63 2HB SER 63 3.111 6.592 -5.199 504 HB3 SER 63 3HB SER 63 3.049 5.377 -6.481 505 HG SER 63 HG SER 63 1.650 7.221 -7.491 506 H VAL 64 H VAL 64 1.022 3.336 -6.011 507 HA VAL 64 HA VAL 64 1.392 2.515 -3.183 508 HB VAL 64 HB VAL 64 -0.003 0.991 -5.440 509 HG11 VAL 64 1HG1 VAL 64 -0.588 -0.701 -3.729 510 HG12 VAL 64 2HG1 VAL 64 0.385 0.166 -2.540 511 HG13 VAL 64 3HG1 VAL 64 1.161 -0.574 -3.941 512 HG21 VAL 64 3HG2 VAL 64 -2.068 1.284 -4.124 513 HG22 VAL 64 1HG2 VAL 64 -1.379 2.844 -4.586 514 HG23 VAL 64 2HG2 VAL 64 -1.181 2.244 -2.937 515 H PHE 65 H PHE 65 3.160 1.290 -2.762 516 HA PHE 65 HA PHE 65 4.649 0.011 -4.981 517 HB2 PHE 65 2HB PHE 65 5.907 2.033 -4.309 518 HB3 PHE 65 3HB PHE 65 5.840 1.555 -2.618 519 HD1 PHE 65 HD2 PHE 65 7.154 0.445 -5.949 520 HD2 PHE 65 HD1 PHE 65 7.633 0.252 -1.702 521 HE1 PHE 65 HE2 PHE 65 9.268 -0.774 -6.241 522 HE2 PHE 65 HE1 PHE 65 9.748 -0.969 -2.007 523 HZ PHE 65 HZ PHE 65 10.565 -1.486 -4.272 524 H PHE 66 H PHE 66 5.206 -2.061 -4.583 525 HA PHE 66 HA PHE 66 4.960 -3.148 -1.838 526 HB2 PHE 66 2HB PHE 66 4.594 -4.588 -4.492 527 HB3 PHE 66 3HB PHE 66 4.545 -5.365 -2.916 528 HD1 PHE 66 HD2 PHE 66 2.838 -3.361 -1.416 529 HD2 PHE 66 HD1 PHE 66 2.434 -5.021 -5.335 530 HE1 PHE 66 HE2 PHE 66 0.407 -3.004 -1.324 531 HE2 PHE 66 HE1 PHE 66 0.009 -4.650 -5.225 532 HZ PHE 66 HZ PHE 66 -1.011 -3.647 -3.229 533 H GLY 67 H GLY 67 6.737 -3.962 -1.008 534 HA2 GLY 67 2HA GLY 67 9.088 -4.622 -2.686 535 HA3 GLY 67 3HA GLY 67 9.241 -3.643 -1.226 536 HA PRO 68 HA PRO 68 9.522 -8.327 -0.265 537 HB2 PRO 68 2HB PRO 68 12.067 -8.247 0.871 538 HB3 PRO 68 3HB PRO 68 11.741 -8.641 -0.829 539 HG2 PRO 68 2HG PRO 68 12.602 -6.016 0.351 540 HG3 PRO 68 3HG PRO 68 13.168 -6.826 -1.127 541 HD2 PRO 68 2HD PRO 68 11.396 -4.801 -1.258 542 HD3 PRO 68 3HD PRO 68 11.295 -6.183 -2.372 543 H ASP 69 H ASP 69 8.404 -8.726 1.508 544 HA ASP 69 HA ASP 69 7.876 -9.058 3.677 545 HB2 ASP 69 2HB ASP 69 10.161 -8.955 4.432 546 HB3 ASP 69 3HB ASP 69 10.211 -7.210 4.258 547 H SER 70 H SER 70 7.905 -5.852 2.296 548 HA SER 70 HA SER 70 5.774 -4.971 4.117 549 HB2 SER 70 2HB SER 70 6.990 -2.797 4.515 550 HB3 SER 70 3HB SER 70 7.791 -4.196 5.231 551 HG SER 70 HG SER 70 9.239 -4.205 3.507 552 H ILE 71 H ILE 71 4.902 -2.858 3.490 553 HA ILE 71 HA ILE 71 4.730 -2.434 0.551 554 HB ILE 71 HB ILE 71 2.562 -2.103 2.696 555 HG12 ILE 71 2HG1 ILE 71 2.758 -4.129 0.421 556 HG13 ILE 71 3HG1 ILE 71 3.024 -4.476 2.124 557 HG21 ILE 71 1HG2 ILE 71 0.992 -1.555 0.859 558 HG22 ILE 71 2HG2 ILE 71 2.329 -1.596 -0.291 559 HG23 ILE 71 3HG2 ILE 71 2.297 -0.370 0.976 560 HD11 ILE 71 3HD1 ILE 71 0.862 -5.250 1.426 561 HD12 ILE 71 1HD1 ILE 71 0.414 -3.638 0.867 562 HD13 ILE 71 2HD1 ILE 71 0.682 -3.939 2.587 563 H THR 72 H THR 72 4.676 -0.207 -0.090 564 HA THR 72 HA THR 72 4.998 1.858 2.001 565 HB THR 72 HB THR 72 6.552 1.776 -0.628 566 HG1 THR 72 HG1 THR 72 7.226 0.249 1.031 567 HG21 THR 72 3HG2 THR 72 6.073 4.095 0.158 568 HG22 THR 72 1HG2 THR 72 7.796 3.713 0.281 569 HG23 THR 72 2HG2 THR 72 6.782 3.700 1.724 570 H VAL 73 H VAL 73 3.328 3.242 1.834 571 HA VAL 73 HA VAL 73 2.004 3.691 -0.782 572 HB VAL 73 HB VAL 73 0.896 4.139 2.036 573 HG11 VAL 73 1HG1 VAL 73 -1.259 4.615 0.941 574 HG12 VAL 73 2HG1 VAL 73 -0.499 4.444 -0.642 575 HG13 VAL 73 3HG1 VAL 73 -0.019 5.763 0.427 576 HG21 VAL 73 3HG2 VAL 73 1.058 1.732 1.505 577 HG22 VAL 73 1HG2 VAL 73 0.149 1.993 0.013 578 HG23 VAL 73 2HG2 VAL 73 -0.629 2.249 1.577 579 H THR 74 H THR 74 1.912 5.778 -1.521 580 HA THR 74 HA THR 74 3.285 7.897 0.036 581 HB THR 74 HB THR 74 3.035 7.625 -2.995 582 HG1 THR 74 HG1 THR 74 4.462 6.085 -1.863 583 HG21 THR 74 3HG2 THR 74 3.252 9.993 -2.247 584 HG22 THR 74 1HG2 THR 74 4.695 9.448 -3.109 585 HG23 THR 74 2HG2 THR 74 4.711 9.567 -1.349 586 H LYS 75 H LYS 75 2.229 9.858 0.274 587 HA LYS 75 HA LYS 75 -0.606 10.075 -0.426 588 HB2 LYS 75 2HB LYS 75 -0.648 11.965 1.102 589 HB3 LYS 75 3HB LYS 75 0.266 10.681 1.887 590 HG2 LYS 75 2HG LYS 75 2.386 11.819 1.153 591 HG3 LYS 75 3HG LYS 75 1.402 13.137 0.515 592 HD2 LYS 75 2HD LYS 75 2.255 13.789 2.676 593 HD3 LYS 75 3HD LYS 75 0.514 13.539 2.818 594 HE2 LYS 75 2HE LYS 75 0.884 11.368 3.873 595 HE3 LYS 75 3HE LYS 75 2.625 11.509 3.622 596 HZ1 LYS 75 3HZ LYS 75 2.669 13.396 5.112 597 HZ2 LYS 75 1HZ LYS 75 1.973 12.064 5.889 598 HZ3 LYS 75 2HZ LYS 75 0.993 13.318 5.324 599 H GLU 76 H GLU 76 -1.401 12.013 -1.529 600 HA GLU 76 HA GLU 76 0.070 12.579 -3.900 601 HB2 GLU 76 2HB GLU 76 -2.476 13.882 -2.870 602 HB3 GLU 76 3HB GLU 76 -1.841 14.039 -4.507 603 HG2 GLU 76 2HG GLU 76 -2.124 11.591 -4.838 604 HG3 GLU 76 3HG GLU 76 -2.793 11.461 -3.212 605 H ASN 77 H ASN 77 -1.016 14.749 -1.290 606 HA ASN 77 HA ASN 77 1.244 16.576 -1.881 607 HB2 ASN 77 2HB ASN 77 -0.189 18.496 -1.291 608 HB3 ASN 77 3HB ASN 77 -0.872 17.630 -2.662 609 HD21 ASN 77 1HD2 ASN 77 -2.842 16.565 -2.408 610 HD22 ASN 77 2HD2 ASN 77 -3.852 16.792 -1.024 611 H GLU 78 H GLU 78 1.825 17.901 0.009 612 HA GLU 78 HA GLU 78 2.534 16.237 2.178 613 HB2 GLU 78 2HB GLU 78 2.741 19.270 1.950 614 HB3 GLU 78 3HB GLU 78 3.617 18.267 3.106 615 HG2 GLU 78 2HG GLU 78 4.873 17.202 1.298 616 HG3 GLU 78 3HG GLU 78 3.940 18.087 0.089 617 H GLU 79 H GLU 79 -0.164 18.385 1.708 618 HA GLU 79 HA GLU 79 -0.716 18.876 4.504 619 HB2 GLU 79 2HB GLU 79 -2.517 19.420 2.104 620 HB3 GLU 79 3HB GLU 79 -2.676 20.100 3.718 621 HG2 GLU 79 2HG GLU 79 -0.463 20.666 1.723 622 HG3 GLU 79 3HG GLU 79 -1.747 21.765 2.219 623 H LEU 80 H LEU 80 -1.216 16.196 2.537 624 HA LEU 80 HA LEU 80 -3.629 15.209 3.806 625 HB2 LEU 80 2HB LEU 80 -1.532 13.865 2.062 626 HB3 LEU 80 3HB LEU 80 -2.975 13.054 2.657 627 HG LEU 80 HG LEU 80 -3.044 15.504 0.847 628 HD11 LEU 80 1HD1 LEU 80 -3.373 12.590 0.132 629 HD12 LEU 80 2HD1 LEU 80 -2.018 13.631 -0.308 630 HD13 LEU 80 3HD1 LEU 80 -3.623 13.961 -0.954 631 HD21 LEU 80 3HD2 LEU 80 -5.250 13.571 1.652 632 HD22 LEU 80 1HD2 LEU 80 -5.407 14.906 0.505 633 HD23 LEU 80 2HD2 LEU 80 -5.080 15.240 2.203 634 H ASP 81 H ASP 81 -3.609 14.569 5.788 635 HA ASP 81 HA ASP 81 -1.223 13.787 7.256 636 HB2 ASP 81 2HB ASP 81 -2.757 15.299 8.345 637 HB3 ASP 81 3HB ASP 81 -4.133 14.255 8.011 638 H TRP 82 H TRP 82 -0.699 11.728 7.907 639 HA TRP 82 HA TRP 82 -1.736 9.537 6.469 640 HB2 TRP 82 2HB TRP 82 0.331 9.774 8.655 641 HB3 TRP 82 3HB TRP 82 -0.259 8.173 8.233 642 HD1 TRP 82 HD1 TRP 82 2.609 10.158 7.477 643 HE1 TRP 82 HE1 TRP 82 3.621 9.596 5.181 644 HE3 TRP 82 HE3 TRP 82 -1.355 7.621 5.406 645 HZ2 TRP 82 HZ2 TRP 82 2.856 8.277 2.812 646 HZ3 TRP 82 HZ3 TRP 82 -1.120 6.744 3.117 647 HH2 TRP 82 HH2 TRP 82 0.944 7.068 1.850 648 H ASN 83 H ASN 83 -2.582 10.722 9.709 649 HA ASN 83 HA ASN 83 -3.607 8.322 10.799 650 HB2 ASN 83 2HB ASN 83 -4.491 11.179 11.399 651 HB3 ASN 83 3HB ASN 83 -4.953 9.769 12.345 652 HD21 ASN 83 1HD2 ASN 83 -2.384 11.985 11.570 653 HD22 ASN 83 2HD2 ASN 83 -1.332 11.495 12.855 654 H LEU 84 H LEU 84 -4.890 10.417 8.361 655 HA LEU 84 HA LEU 84 -7.664 9.637 8.630 656 HB2 LEU 84 2HB LEU 84 -6.255 11.049 6.329 657 HB3 LEU 84 3HB LEU 84 -7.994 10.933 6.559 658 HG LEU 84 HG LEU 84 -6.040 12.480 8.306 659 HD11 LEU 84 1HD1 LEU 84 -7.217 14.470 7.516 660 HD12 LEU 84 2HD1 LEU 84 -8.242 13.474 6.480 661 HD13 LEU 84 3HD1 LEU 84 -6.505 13.572 6.177 662 HD21 LEU 84 3HD2 LEU 84 -9.043 12.178 8.660 663 HD22 LEU 84 1HD2 LEU 84 -8.001 13.278 9.570 664 HD23 LEU 84 2HD2 LEU 84 -7.789 11.537 9.725 665 H LEU 85 H LEU 85 -4.901 8.737 6.557 666 HA LEU 85 HA LEU 85 -6.482 6.966 4.881 667 HB2 LEU 85 2HB LEU 85 -3.472 7.409 5.009 668 HB3 LEU 85 3HB LEU 85 -4.288 6.395 3.835 669 HG LEU 85 HG LEU 85 -5.561 8.580 3.147 670 HD11 LEU 85 1HD1 LEU 85 -4.348 10.677 3.449 671 HD12 LEU 85 2HD1 LEU 85 -3.184 9.858 4.498 672 HD13 LEU 85 3HD1 LEU 85 -4.872 9.996 4.990 673 HD21 LEU 85 3HD2 LEU 85 -2.632 8.228 2.448 674 HD22 LEU 85 1HD2 LEU 85 -3.801 9.183 1.529 675 HD23 LEU 85 2HD2 LEU 85 -4.002 7.438 1.665 676 H LYS 86 H LYS 86 -4.257 6.591 7.634 677 HA LYS 86 HA LYS 86 -3.474 3.991 7.370 678 HB2 LYS 86 2HB LYS 86 -3.917 5.625 9.859 679 HB3 LYS 86 3HB LYS 86 -3.310 3.971 9.955 680 HG2 LYS 86 2HG LYS 86 -1.424 4.621 8.463 681 HG3 LYS 86 3HG LYS 86 -1.993 6.295 8.526 682 HD2 LYS 86 2HD LYS 86 -1.662 6.355 10.953 683 HD3 LYS 86 3HD LYS 86 -1.210 4.647 10.961 684 HE2 LYS 86 2HE LYS 86 0.741 5.254 9.485 685 HE3 LYS 86 3HE LYS 86 0.324 6.950 9.739 686 HZ1 LYS 86 3HZ LYS 86 2.056 6.065 11.255 687 HZ2 LYS 86 1HZ LYS 86 0.898 5.051 11.940 688 HZ3 LYS 86 2HZ LYS 86 0.730 6.727 12.054 689 HA PRO 87 HA PRO 87 -7.267 2.247 10.029 690 HB2 PRO 87 2HB PRO 87 -9.676 3.615 9.599 691 HB3 PRO 87 3HB PRO 87 -8.645 3.836 11.026 692 HG2 PRO 87 2HG PRO 87 -8.768 5.498 8.525 693 HG3 PRO 87 3HG PRO 87 -8.686 6.025 10.226 694 HD2 PRO 87 2HD PRO 87 -6.483 6.059 8.726 695 HD3 PRO 87 3HD PRO 87 -6.399 5.527 10.415 696 H ASP 88 H ASP 88 -7.742 3.939 6.978 697 HA ASP 88 HA ASP 88 -9.415 2.021 5.684 698 HB2 ASP 88 2HB ASP 88 -7.712 4.325 4.648 699 HB3 ASP 88 3HB ASP 88 -8.764 3.383 3.607 700 H ILE 89 H ILE 89 -5.909 2.712 5.626 701 HA ILE 89 HA ILE 89 -5.199 0.882 3.577 702 HB ILE 89 HB ILE 89 -3.497 2.159 5.772 703 HG12 ILE 89 2HG1 ILE 89 -3.787 2.861 2.814 704 HG13 ILE 89 3HG1 ILE 89 -4.520 3.748 4.143 705 HG21 ILE 89 1HG2 ILE 89 -1.487 1.529 4.470 706 HG22 ILE 89 2HG2 ILE 89 -2.500 0.630 3.339 707 HG23 ILE 89 3HG2 ILE 89 -2.369 0.099 5.016 708 HD11 ILE 89 3HD1 ILE 89 -2.599 4.919 3.323 709 HD12 ILE 89 1HD1 ILE 89 -1.571 3.506 3.564 710 HD13 ILE 89 2HD1 ILE 89 -2.276 4.337 4.954 711 H TYR 90 H TYR 90 -5.272 0.639 7.128 712 HA TYR 90 HA TYR 90 -4.125 -1.953 7.337 713 HB2 TYR 90 2HB TYR 90 -5.918 -0.491 9.325 714 HB3 TYR 90 3HB TYR 90 -4.996 -1.951 9.678 715 HD1 TYR 90 HD2 TYR 90 -2.627 -0.483 7.765 716 HD2 TYR 90 HD1 TYR 90 -4.708 0.330 11.412 717 HE1 TYR 90 HE2 TYR 90 -0.751 0.898 8.532 718 HE2 TYR 90 HE1 TYR 90 -2.831 1.709 12.169 719 HH TYR 90 HH TYR 90 -0.373 1.922 11.714 720 H ALA 91 H ALA 91 -7.508 -0.777 7.344 721 HA ALA 91 HA ALA 91 -8.803 -3.234 7.756 722 HB1 ALA 91 3HB ALA 91 -9.817 -0.832 6.200 723 HB2 ALA 91 1HB ALA 91 -9.947 -1.059 7.945 724 HB3 ALA 91 2HB ALA 91 -10.811 -2.141 6.849 725 H THR 92 H THR 92 -7.848 -1.600 4.736 726 HA THR 92 HA THR 92 -8.917 -3.413 2.884 727 HB THR 92 HB THR 92 -6.536 -1.531 2.571 728 HG1 THR 92 HG1 THR 92 -8.100 -0.107 2.626 729 HG21 THR 92 3HG2 THR 92 -6.548 -3.239 0.778 730 HG22 THR 92 1HG2 THR 92 -6.976 -1.644 0.147 731 HG23 THR 92 2HG2 THR 92 -8.230 -2.853 0.426 732 H ILE 93 H ILE 93 -5.597 -3.232 4.266 733 HA ILE 93 HA ILE 93 -4.531 -5.415 2.771 734 HB ILE 93 HB ILE 93 -3.499 -4.137 5.343 735 HG12 ILE 93 2HG1 ILE 93 -2.541 -3.810 2.460 736 HG13 ILE 93 3HG1 ILE 93 -3.530 -2.643 3.327 737 HG21 ILE 93 1HG2 ILE 93 -2.621 -6.437 5.189 738 HG22 ILE 93 2HG2 ILE 93 -1.333 -5.263 4.914 739 HG23 ILE 93 3HG2 ILE 93 -2.049 -6.122 3.548 740 HD11 ILE 93 3HD1 ILE 93 -1.692 -2.309 4.937 741 HD12 ILE 93 1HD1 ILE 93 -1.238 -1.919 3.278 742 HD13 ILE 93 2HD1 ILE 93 -0.696 -3.431 4.003 743 H MET 94 H MET 94 -5.668 -5.219 6.195 744 HA MET 94 HA MET 94 -5.206 -7.874 6.932 745 HB2 MET 94 2HB MET 94 -7.368 -5.980 7.938 746 HB3 MET 94 3HB MET 94 -7.032 -7.543 8.673 747 HG2 MET 94 2HG MET 94 -4.712 -6.758 9.149 748 HG3 MET 94 3HG MET 94 -5.167 -5.166 8.543 749 HE1 MET 94 3HE MET 94 -7.064 -3.629 9.696 750 HE2 MET 94 1HE MET 94 -7.940 -4.106 11.148 751 HE3 MET 94 2HE MET 94 -8.236 -4.949 9.627 752 H ASP 95 H ASP 95 -8.162 -6.419 5.540 753 HA ASP 95 HA ASP 95 -9.755 -8.744 5.454 754 HB2 ASP 95 2HB ASP 95 -10.705 -6.474 5.224 755 HB3 ASP 95 3HB ASP 95 -9.884 -6.260 3.680 756 H PHE 96 H PHE 96 -7.467 -7.381 3.126 757 HA PHE 96 HA PHE 96 -8.074 -8.977 0.884 758 HB2 PHE 96 2HB PHE 96 -6.735 -6.870 0.815 759 HB3 PHE 96 3HB PHE 96 -5.418 -7.682 1.647 760 HD1 PHE 96 HD2 PHE 96 -7.396 -7.629 -1.502 761 HD2 PHE 96 HD1 PHE 96 -3.812 -8.981 0.414 762 HE1 PHE 96 HE2 PHE 96 -6.487 -8.327 -3.669 763 HE2 PHE 96 HE1 PHE 96 -2.918 -9.673 -1.762 764 HZ PHE 96 HZ PHE 96 -4.252 -9.348 -3.801 765 H PHE 97 H PHE 97 -5.792 -9.411 3.546 766 HA PHE 97 HA PHE 97 -4.748 -11.946 2.606 767 HB2 PHE 97 2HB PHE 97 -4.313 -10.343 5.158 768 HB3 PHE 97 3HB PHE 97 -3.610 -11.943 4.935 769 HD1 PHE 97 HD1 PHE 97 -3.873 -8.752 2.918 770 HD2 PHE 97 HD2 PHE 97 -1.369 -11.935 4.266 771 HE1 PHE 97 HE1 PHE 97 -1.960 -7.731 1.769 772 HE2 PHE 97 HE2 PHE 97 0.543 -10.907 3.111 773 HZ PHE 97 HZ PHE 97 0.252 -8.808 1.863 774 H ALA 98 H ALA 98 -7.231 -10.882 4.862 775 HA ALA 98 HA ALA 98 -7.803 -13.410 6.071 776 HB1 ALA 98 3HB ALA 98 -8.533 -11.288 7.092 777 HB2 ALA 98 1HB ALA 98 -9.909 -12.355 6.818 778 HB3 ALA 98 2HB ALA 98 -9.621 -10.987 5.737 779 H SER 99 H SER 99 -8.778 -11.834 3.110 780 HA SER 99 HA SER 99 -10.738 -13.803 2.311 781 HB2 SER 99 2HB SER 99 -10.845 -11.432 1.527 782 HB3 SER 99 3HB SER 99 -9.311 -11.640 0.682 783 HG SER 99 HG SER 99 -11.727 -12.145 -0.225 784 H GLY 100 H GLY 100 -7.336 -13.044 1.735 785 HA2 GLY 100 2HA GLY 100 -5.578 -14.438 1.249 786 HA3 GLY 100 3HA GLY 100 -6.689 -15.780 1.035 787 H LEU 101 H LEU 101 -7.012 -12.705 -0.633 788 HA LEU 101 HA LEU 101 -6.988 -13.903 -3.241 789 HB2 LEU 101 2HB LEU 101 -6.940 -10.984 -2.363 790 HB3 LEU 101 3HB LEU 101 -7.123 -11.499 -4.033 791 HG LEU 101 HG LEU 101 -9.096 -12.170 -1.812 792 HD11 LEU 101 1HD1 LEU 101 -9.349 -10.061 -3.974 793 HD12 LEU 101 2HD1 LEU 101 -9.074 -9.757 -2.256 794 HD13 LEU 101 3HD1 LEU 101 -10.579 -10.504 -2.784 795 HD21 LEU 101 3HD2 LEU 101 -9.285 -12.565 -4.819 796 HD22 LEU 101 1HD2 LEU 101 -10.583 -12.865 -3.657 797 HD23 LEU 101 2HD2 LEU 101 -9.112 -13.830 -3.599 798 HA PRO 102 HA PRO 102 -2.558 -13.787 -4.267 799 HB2 PRO 102 2HB PRO 102 -3.587 -12.861 -6.960 800 HB3 PRO 102 3HB PRO 102 -2.428 -14.161 -6.586 801 HG2 PRO 102 2HG PRO 102 -4.900 -14.785 -7.258 802 HG3 PRO 102 3HG PRO 102 -4.109 -15.651 -5.918 803 HD2 PRO 102 2HD PRO 102 -6.175 -13.457 -5.785 804 HD3 PRO 102 3HD PRO 102 -6.032 -14.928 -4.793 805 H LEU 103 H LEU 103 -1.261 -12.202 -3.643 806 HA LEU 103 HA LEU 103 -1.797 -9.528 -3.271 807 HB2 LEU 103 2HB LEU 103 0.132 -11.076 -2.388 808 HB3 LEU 103 3HB LEU 103 1.016 -10.571 -3.809 809 HG LEU 103 HG LEU 103 1.640 -9.337 -1.720 810 HD11 LEU 103 1HD1 LEU 103 0.470 -7.499 -3.815 811 HD12 LEU 103 2HD1 LEU 103 2.059 -8.263 -3.877 812 HD13 LEU 103 3HD1 LEU 103 1.702 -7.086 -2.616 813 HD21 LEU 103 3HD2 LEU 103 -1.150 -8.159 -1.848 814 HD22 LEU 103 1HD2 LEU 103 0.134 -7.692 -0.729 815 HD23 LEU 103 2HD2 LEU 103 -0.564 -9.307 -0.641 816 H VAL 104 H VAL 104 -0.085 -11.081 -5.960 817 HA VAL 104 HA VAL 104 -0.859 -8.883 -7.781 818 HB VAL 104 HB VAL 104 1.915 -10.179 -7.676 819 HG11 VAL 104 1HG1 VAL 104 2.485 -8.804 -9.652 820 HG12 VAL 104 2HG1 VAL 104 0.815 -8.241 -9.752 821 HG13 VAL 104 3HG1 VAL 104 1.190 -9.945 -10.026 822 HG21 VAL 104 3HG2 VAL 104 1.077 -7.271 -7.339 823 HG22 VAL 104 1HG2 VAL 104 2.740 -7.871 -7.339 824 HG23 VAL 104 2HG2 VAL 104 1.631 -8.345 -6.050 825 H THR 105 H THR 105 -2.038 -9.697 -9.346 826 HA THR 105 HA THR 105 -2.318 -12.544 -9.791 827 HB THR 105 HB THR 105 -4.102 -11.722 -11.459 828 HG1 THR 105 HG1 THR 105 -3.868 -9.672 -11.957 829 HG21 THR 105 3HG2 THR 105 -5.703 -11.007 -9.710 830 HG22 THR 105 1HG2 THR 105 -4.360 -10.763 -8.585 831 HG23 THR 105 2HG2 THR 105 -4.739 -12.384 -9.169 832 H GLU 106 H GLU 106 -1.565 -9.723 -11.935 833 HA GLU 106 HA GLU 106 -0.267 -11.555 -13.857 834 HB2 GLU 106 2HB GLU 106 -1.155 -8.655 -14.166 835 HB3 GLU 106 3HB GLU 106 -0.162 -9.482 -15.359 836 HG2 GLU 106 2HG GLU 106 -2.402 -9.546 -16.158 837 HG3 GLU 106 3HG GLU 106 -2.010 -11.177 -15.621 838 H GLU 107 H GLU 107 1.608 -11.976 -12.725 839 HA GLU 107 HA GLU 107 3.469 -9.880 -12.004 840 HB2 GLU 107 2HB GLU 107 3.831 -12.909 -12.134 841 HB3 GLU 107 3HB GLU 107 5.043 -11.778 -11.550 842 HG2 GLU 107 2HG GLU 107 3.299 -11.042 -9.810 843 HG3 GLU 107 3HG GLU 107 2.386 -12.476 -10.281 Start of MODEL 4 1 H1 MET 1 1H MET 1 -11.753 -32.557 20.423 2 H2 MET 1 2H MET 1 -10.149 -32.759 20.912 3 H3 MET 1 3H MET 1 -10.669 -33.402 19.438 4 HA MET 1 HA MET 1 -11.062 -31.224 18.554 5 HB2 MET 1 2HB MET 1 -9.922 -30.223 21.208 6 HB3 MET 1 3HB MET 1 -10.345 -29.207 19.831 7 HG2 MET 1 2HG MET 1 -12.284 -30.860 21.468 8 HG3 MET 1 3HG MET 1 -12.050 -29.112 21.581 9 HE1 MET 1 3HE MET 1 -14.894 -30.664 21.038 10 HE2 MET 1 1HE MET 1 -15.588 -29.515 19.895 11 HE3 MET 1 2HE MET 1 -14.710 -28.928 21.307 12 H GLY 2 H GLY 2 -9.431 -30.439 17.223 13 HA2 GLY 2 2HA GLY 2 -6.655 -31.380 17.684 14 HA3 GLY 2 3HA GLY 2 -7.339 -30.825 16.158 15 H HIS 3 H HIS 3 -5.077 -29.684 16.505 16 HA HIS 3 HA HIS 3 -5.038 -27.420 18.276 17 HB2 HIS 3 2HB HIS 3 -2.856 -26.869 17.319 18 HB3 HIS 3 3HB HIS 3 -2.933 -28.581 17.683 19 HD1 HIS 3 HD1 HIS 3 -2.555 -26.166 14.870 20 HD2 HIS 3 HD2 HIS 3 -2.756 -30.274 15.403 21 HE1 HIS 3 HE1 HIS 3 -1.751 -27.162 12.713 22 HE2 HIS 3 HE2 HIS 3 -2.058 -29.637 13.009 23 H HIS 4 H HIS 4 -6.449 -25.833 17.919 24 HA HIS 4 HA HIS 4 -7.121 -24.824 15.258 25 HB2 HIS 4 2HB HIS 4 -7.989 -23.824 18.022 26 HB3 HIS 4 3HB HIS 4 -8.639 -23.266 16.483 27 HD1 HIS 4 HD1 HIS 4 -9.204 -25.683 19.097 28 HD2 HIS 4 HD2 HIS 4 -10.038 -25.434 15.041 29 HE1 HIS 4 HE1 HIS 4 -11.009 -27.364 18.682 30 HE2 HIS 4 HE2 HIS 4 -11.618 -27.064 16.255 31 H HIS 5 H HIS 5 -6.060 -23.154 14.314 32 HA HIS 5 HA HIS 5 -3.974 -21.679 15.715 33 HB2 HIS 5 2HB HIS 5 -3.763 -22.520 13.299 34 HB3 HIS 5 3HB HIS 5 -4.934 -21.291 12.842 35 HD1 HIS 5 HD1 HIS 5 -3.819 -19.267 11.914 36 HD2 HIS 5 HD2 HIS 5 -1.442 -21.151 14.757 37 HE1 HIS 5 HE1 HIS 5 -1.699 -17.925 12.030 38 HE2 HIS 5 HE2 HIS 5 -0.273 -19.099 13.736 39 H HIS 6 H HIS 6 -5.821 -21.014 17.171 40 HA HIS 6 HA HIS 6 -7.827 -19.151 16.473 41 HB2 HIS 6 2HB HIS 6 -8.108 -18.866 18.915 42 HB3 HIS 6 3HB HIS 6 -7.916 -20.567 18.516 43 HD1 HIS 6 HD1 HIS 6 -6.440 -17.852 20.525 44 HD2 HIS 6 HD2 HIS 6 -5.352 -21.669 19.289 45 HE1 HIS 6 HE1 HIS 6 -4.497 -18.511 21.969 46 HE2 HIS 6 HE2 HIS 6 -3.938 -20.864 21.286 47 H HIS 7 H HIS 7 -7.931 -16.844 17.266 48 HA HIS 7 HA HIS 7 -7.305 -14.768 16.644 49 HB2 HIS 7 2HB HIS 7 -4.567 -15.662 17.665 50 HB3 HIS 7 3HB HIS 7 -4.873 -14.037 17.087 51 HD1 HIS 7 HD1 HIS 7 -3.974 -14.860 20.003 52 HD2 HIS 7 HD2 HIS 7 -7.813 -13.800 18.827 53 HE1 HIS 7 HE1 HIS 7 -5.075 -13.924 22.051 54 HE2 HIS 7 HE2 HIS 7 -7.320 -13.108 21.260 55 H HIS 8 H HIS 8 -7.808 -16.207 14.611 56 HA HIS 8 HA HIS 8 -5.725 -16.914 12.799 57 HB2 HIS 8 2HB HIS 8 -7.913 -18.034 12.799 58 HB3 HIS 8 3HB HIS 8 -8.721 -16.532 12.374 59 HD1 HIS 8 HD1 HIS 8 -9.501 -16.714 10.064 60 HD2 HIS 8 HD2 HIS 8 -5.785 -18.505 10.532 61 HE1 HIS 8 HE1 HIS 8 -8.877 -17.569 7.790 62 HE2 HIS 8 HE2 HIS 8 -6.694 -18.773 8.135 63 H SER 9 H SER 9 -7.730 -14.042 13.191 64 HA SER 9 HA SER 9 -6.520 -12.712 10.847 65 HB2 SER 9 2HB SER 9 -8.334 -10.973 11.313 66 HB3 SER 9 3HB SER 9 -8.938 -12.569 10.872 67 HG SER 9 HG SER 9 -10.071 -11.845 12.647 68 H HIS 10 H HIS 10 -5.198 -13.213 13.579 69 HA HIS 10 HA HIS 10 -4.805 -10.666 14.851 70 HB2 HIS 10 2HB HIS 10 -4.454 -12.862 15.992 71 HB3 HIS 10 3HB HIS 10 -3.092 -13.189 14.939 72 HD1 HIS 10 HD1 HIS 10 -0.860 -12.166 15.554 73 HD2 HIS 10 HD2 HIS 10 -3.951 -10.919 18.032 74 HE1 HIS 10 HE1 HIS 10 0.255 -11.093 17.528 75 HE2 HIS 10 HE2 HIS 10 -1.631 -10.503 19.085 76 H MET 11 H MET 11 -4.335 -9.283 13.092 77 HA MET 11 HA MET 11 -1.718 -9.591 11.726 78 HB2 MET 11 2HB MET 11 -4.151 -7.944 10.888 79 HB3 MET 11 3HB MET 11 -2.636 -8.064 9.997 80 HG2 MET 11 2HG MET 11 -4.575 -10.343 10.498 81 HG3 MET 11 3HG MET 11 -4.407 -9.436 8.992 82 HE1 MET 11 3HE MET 11 -1.207 -9.113 8.735 83 HE2 MET 11 1HE MET 11 -2.254 -9.593 7.397 84 HE3 MET 11 2HE MET 11 -0.827 -10.553 7.789 85 H PHE 12 H PHE 12 -0.230 -8.403 12.751 86 HA PHE 12 HA PHE 12 -0.858 -5.645 13.611 87 HB2 PHE 12 2HB PHE 12 1.182 -7.672 14.571 88 HB3 PHE 12 3HB PHE 12 1.546 -5.958 14.732 89 HD1 PHE 12 HD1 PHE 12 -0.999 -8.556 15.660 90 HD2 PHE 12 HD2 PHE 12 0.627 -4.684 16.507 91 HE1 PHE 12 HE1 PHE 12 -2.355 -8.417 17.708 92 HE2 PHE 12 HE2 PHE 12 -0.731 -4.567 18.547 93 HZ PHE 12 HZ PHE 12 -2.224 -6.426 19.149 94 H ILE 13 H ILE 13 -0.453 -4.243 12.081 95 HA ILE 13 HA ILE 13 1.652 -4.637 10.090 96 HB ILE 13 HB ILE 13 -0.507 -2.473 10.298 97 HG12 ILE 13 2HG1 ILE 13 -0.280 -4.889 8.427 98 HG13 ILE 13 3HG1 ILE 13 -1.416 -4.731 9.761 99 HG21 ILE 13 1HG2 ILE 13 1.489 -2.957 8.045 100 HG22 ILE 13 2HG2 ILE 13 1.509 -1.595 9.166 101 HG23 ILE 13 3HG2 ILE 13 0.178 -1.770 8.025 102 HD11 ILE 13 3HD1 ILE 13 -2.504 -2.863 8.584 103 HD12 ILE 13 1HD1 ILE 13 -2.522 -4.360 7.654 104 HD13 ILE 13 2HD1 ILE 13 -1.387 -3.079 7.234 105 H GLN 14 H GLN 14 3.559 -3.735 10.347 106 HA GLN 14 HA GLN 14 4.146 -1.860 12.530 107 HB2 GLN 14 2HB GLN 14 5.412 -4.000 12.475 108 HB3 GLN 14 3HB GLN 14 5.920 -3.679 10.820 109 HG2 GLN 14 2HG GLN 14 7.107 -1.613 11.718 110 HG3 GLN 14 3HG GLN 14 6.763 -2.221 13.336 111 HE21 GLN 14 1HE2 GLN 14 7.639 -4.231 10.546 112 HE22 GLN 14 2HE2 GLN 14 9.164 -4.736 11.169 113 H THR 15 H THR 15 4.333 0.270 11.870 114 HA THR 15 HA THR 15 4.884 0.837 9.024 115 HB THR 15 HB THR 15 4.083 3.178 9.595 116 HG1 THR 15 HG1 THR 15 4.210 2.191 12.096 117 HG21 THR 15 3HG2 THR 15 2.573 1.520 8.542 118 HG22 THR 15 1HG2 THR 15 1.696 2.576 9.655 119 HG23 THR 15 2HG2 THR 15 2.106 0.931 10.141 120 H GLN 16 H GLN 16 6.590 1.942 8.385 121 HA GLN 16 HA GLN 16 8.591 2.956 10.297 122 HB2 GLN 16 2HB GLN 16 9.223 0.658 9.457 123 HB3 GLN 16 3HB GLN 16 9.146 1.261 7.804 124 HG2 GLN 16 2HG GLN 16 10.983 2.896 8.410 125 HG3 GLN 16 3HG GLN 16 11.109 2.094 9.970 126 HE21 GLN 16 1HE2 GLN 16 11.928 -0.059 10.038 127 HE22 GLN 16 2HE2 GLN 16 12.852 -0.706 8.733 128 H ASP 17 H ASP 17 9.419 4.929 9.646 129 HA ASP 17 HA ASP 17 8.138 6.339 7.476 130 HB2 ASP 17 2HB ASP 17 8.693 7.511 9.581 131 HB3 ASP 17 3HB ASP 17 10.405 7.167 9.344 132 H THR 18 H THR 18 9.343 7.441 5.762 133 HA THR 18 HA THR 18 11.561 5.813 4.642 134 HB THR 18 HB THR 18 10.471 6.148 2.391 135 HG1 THR 18 HG1 THR 18 8.651 7.575 3.959 136 HG21 THR 18 3HG2 THR 18 10.015 4.029 3.584 137 HG22 THR 18 1HG2 THR 18 8.607 4.539 2.647 138 HG23 THR 18 2HG2 THR 18 8.636 4.775 4.396 139 HA PRO 19 HA PRO 19 14.081 9.463 3.639 140 HB2 PRO 19 2HB PRO 19 13.232 8.970 0.756 141 HB3 PRO 19 3HB PRO 19 14.831 9.442 1.390 142 HG2 PRO 19 2HG PRO 19 14.372 6.896 0.808 143 HG3 PRO 19 3HG PRO 19 15.268 7.325 2.283 144 HD2 PRO 19 2HD PRO 19 12.479 6.277 2.027 145 HD3 PRO 19 3HD PRO 19 13.624 6.118 3.375 146 H ASN 20 H ASN 20 10.941 9.405 1.957 147 HA ASN 20 HA ASN 20 10.601 12.322 2.385 148 HB2 ASN 20 2HB ASN 20 9.260 10.452 0.373 149 HB3 ASN 20 3HB ASN 20 8.759 12.120 0.635 150 HD21 ASN 20 1HD2 ASN 20 9.991 13.779 -0.251 151 HD22 ASN 20 2HD2 ASN 20 11.327 13.503 -1.304 152 HA PRO 21 HA PRO 21 7.688 10.900 5.587 153 HB2 PRO 21 2HB PRO 21 6.619 13.328 6.302 154 HB3 PRO 21 3HB PRO 21 8.270 12.841 6.756 155 HG2 PRO 21 2HG PRO 21 7.394 14.591 4.463 156 HG3 PRO 21 3HG PRO 21 8.700 14.858 5.643 157 HD2 PRO 21 2HD PRO 21 9.211 13.887 3.167 158 HD3 PRO 21 3HD PRO 21 10.159 13.370 4.577 159 H ASN 22 H ASN 22 6.805 12.501 2.639 160 HA ASN 22 HA ASN 22 3.947 12.407 2.906 161 HB2 ASN 22 2HB ASN 22 5.328 13.885 1.287 162 HB3 ASN 22 3HB ASN 22 5.478 12.462 0.267 163 HD21 ASN 22 1HD2 ASN 22 4.247 13.200 -1.430 164 HD22 ASN 22 2HD2 ASN 22 2.565 13.555 -1.336 165 H SER 23 H SER 23 6.319 10.061 2.405 166 HA SER 23 HA SER 23 4.338 8.022 1.572 167 HB2 SER 23 2HB SER 23 6.439 6.718 0.773 168 HB3 SER 23 3HB SER 23 5.938 8.101 -0.200 169 HG SER 23 HG SER 23 7.840 8.391 1.854 170 H LEU 24 H LEU 24 4.344 6.083 2.711 171 HA LEU 24 HA LEU 24 6.015 5.810 5.134 172 HB2 LEU 24 2HB LEU 24 3.798 6.854 5.703 173 HB3 LEU 24 3HB LEU 24 2.990 5.449 5.032 174 HG LEU 24 HG LEU 24 4.038 4.025 6.817 175 HD11 LEU 24 1HD1 LEU 24 6.038 5.340 7.286 176 HD12 LEU 24 2HD1 LEU 24 5.113 5.066 8.758 177 HD13 LEU 24 3HD1 LEU 24 5.054 6.643 7.964 178 HD21 LEU 24 3HD2 LEU 24 2.410 6.367 7.850 179 HD22 LEU 24 1HD2 LEU 24 2.619 4.810 8.662 180 HD23 LEU 24 2HD2 LEU 24 1.776 4.891 7.117 181 H LYS 25 H LYS 25 6.428 3.684 5.737 182 HA LYS 25 HA LYS 25 6.000 1.624 3.682 183 HB2 LYS 25 2HB LYS 25 8.326 2.250 4.280 184 HB3 LYS 25 3HB LYS 25 8.007 1.862 5.967 185 HG2 LYS 25 2HG LYS 25 7.633 -0.531 5.265 186 HG3 LYS 25 3HG LYS 25 8.154 -0.079 3.633 187 HD2 LYS 25 2HD LYS 25 10.338 0.663 4.532 188 HD3 LYS 25 3HD LYS 25 9.817 0.261 6.168 189 HE2 LYS 25 2HE LYS 25 11.256 -1.495 5.403 190 HE3 LYS 25 3HE LYS 25 9.613 -2.139 5.418 191 HZ1 LYS 25 3HZ LYS 25 11.046 -1.134 3.020 192 HZ2 LYS 25 1HZ LYS 25 9.491 -1.797 3.038 193 HZ3 LYS 25 2HZ LYS 25 10.822 -2.756 3.424 194 H PHE 26 H PHE 26 4.499 0.062 4.133 195 HA PHE 26 HA PHE 26 3.561 -0.392 6.903 196 HB2 PHE 26 2HB PHE 26 2.166 -1.002 4.252 197 HB3 PHE 26 3HB PHE 26 1.471 -1.208 5.856 198 HD1 PHE 26 HD2 PHE 26 2.460 1.276 3.279 199 HD2 PHE 26 HD1 PHE 26 0.628 0.714 7.109 200 HE1 PHE 26 HE2 PHE 26 1.552 3.559 3.191 201 HE2 PHE 26 HE1 PHE 26 -0.276 2.997 7.003 202 HZ PHE 26 HZ PHE 26 0.182 4.419 5.045 203 H ILE 27 H ILE 27 4.664 -2.168 7.709 204 HA ILE 27 HA ILE 27 5.281 -4.481 6.023 205 HB ILE 27 HB ILE 27 5.994 -3.885 8.947 206 HG12 ILE 27 2HG1 ILE 27 8.420 -3.998 7.998 207 HG13 ILE 27 3HG1 ILE 27 7.687 -3.847 6.407 208 HG21 ILE 27 1HG2 ILE 27 6.776 -6.332 7.317 209 HG22 ILE 27 2HG2 ILE 27 5.662 -6.303 8.686 210 HG23 ILE 27 3HG2 ILE 27 7.372 -5.945 8.934 211 HD11 ILE 27 3HD1 ILE 27 8.540 -1.731 7.255 212 HD12 ILE 27 1HD1 ILE 27 7.468 -1.840 8.649 213 HD13 ILE 27 2HD1 ILE 27 6.793 -1.666 7.025 214 HA PRO 28 HA PRO 28 1.185 -5.830 7.672 215 HB2 PRO 28 2HB PRO 28 0.658 -7.815 5.878 216 HB3 PRO 28 3HB PRO 28 0.581 -6.100 5.413 217 HG2 PRO 28 2HG PRO 28 2.824 -8.064 4.975 218 HG3 PRO 28 3HG PRO 28 2.095 -6.916 3.825 219 HD2 PRO 28 2HD PRO 28 4.423 -6.372 5.152 220 HD3 PRO 28 3HD PRO 28 3.283 -5.101 4.661 221 H GLY 29 H GLY 29 4.157 -7.410 7.812 222 HA2 GLY 29 2HA GLY 29 4.931 -8.955 9.346 223 HA3 GLY 29 3HA GLY 29 3.279 -9.316 9.827 224 H LYS 30 H LYS 30 3.751 -9.386 6.448 225 HA LYS 30 HA LYS 30 4.315 -12.274 6.346 226 HB2 LYS 30 2HB LYS 30 2.007 -10.861 4.930 227 HB3 LYS 30 3HB LYS 30 2.557 -12.488 4.530 228 HG2 LYS 30 2HG LYS 30 2.012 -13.198 6.871 229 HG3 LYS 30 3HG LYS 30 1.349 -11.590 7.171 230 HD2 LYS 30 2HD LYS 30 -0.463 -13.149 6.656 231 HD3 LYS 30 3HD LYS 30 -0.323 -11.956 5.365 232 HE2 LYS 30 2HE LYS 30 0.933 -13.629 3.998 233 HE3 LYS 30 3HE LYS 30 0.722 -14.813 5.290 234 HZ1 LYS 30 3HZ LYS 30 -1.451 -13.521 3.735 235 HZ2 LYS 30 1HZ LYS 30 -1.679 -14.633 4.988 236 HZ3 LYS 30 2HZ LYS 30 -0.914 -15.113 3.557 237 HA PRO 31 HA PRO 31 6.972 -10.959 2.928 238 HB2 PRO 31 2HB PRO 31 7.444 -13.401 1.758 239 HB3 PRO 31 3HB PRO 31 8.200 -12.911 3.289 240 HG2 PRO 31 2HG PRO 31 5.835 -14.693 2.829 241 HG3 PRO 31 3HG PRO 31 7.168 -14.875 3.992 242 HD2 PRO 31 2HD PRO 31 4.691 -13.910 4.674 243 HD3 PRO 31 3HD PRO 31 6.178 -13.460 5.533 244 H VAL 32 H VAL 32 5.265 -9.741 1.961 245 HA VAL 32 HA VAL 32 3.228 -10.800 0.303 246 HB VAL 32 HB VAL 32 2.919 -8.426 -0.494 247 HG11 VAL 32 1HG1 VAL 32 3.098 -8.809 2.521 248 HG12 VAL 32 2HG1 VAL 32 1.733 -9.247 1.488 249 HG13 VAL 32 3HG1 VAL 32 2.167 -7.551 1.697 250 HG21 VAL 32 3HG2 VAL 32 5.253 -7.620 -0.388 251 HG22 VAL 32 1HG2 VAL 32 5.247 -7.779 1.371 252 HG23 VAL 32 2HG2 VAL 32 4.197 -6.595 0.586 253 H LEU 33 H LEU 33 6.290 -9.176 -0.575 254 HA LEU 33 HA LEU 33 6.524 -10.764 -3.012 255 HB2 LEU 33 2HB LEU 33 6.417 -7.721 -2.961 256 HB3 LEU 33 3HB LEU 33 7.295 -8.570 -4.219 257 HG LEU 33 HG LEU 33 4.291 -8.737 -3.720 258 HD11 LEU 33 1HD1 LEU 33 5.011 -6.625 -4.729 259 HD12 LEU 33 2HD1 LEU 33 4.080 -7.587 -5.866 260 HD13 LEU 33 3HD1 LEU 33 5.838 -7.498 -6.018 261 HD21 LEU 33 3HD2 LEU 33 4.191 -10.104 -5.762 262 HD22 LEU 33 1HD2 LEU 33 5.136 -10.898 -4.502 263 HD23 LEU 33 2HD2 LEU 33 5.956 -10.111 -5.857 264 H GLU 34 H GLU 34 7.989 -11.617 -1.288 265 HA GLU 34 HA GLU 34 10.528 -10.307 -0.892 266 HB2 GLU 34 2HB GLU 34 11.219 -12.857 -0.375 267 HB3 GLU 34 3HB GLU 34 10.296 -11.904 0.768 268 HG2 GLU 34 2HG GLU 34 9.471 -14.235 0.527 269 HG3 GLU 34 3HG GLU 34 8.248 -13.017 0.194 270 H THR 35 H THR 35 9.057 -12.205 -3.390 271 HA THR 35 HA THR 35 11.333 -13.212 -4.744 272 HB THR 35 HB THR 35 9.171 -14.229 -5.128 273 HG1 THR 35 HG1 THR 35 10.776 -13.884 -6.983 274 HG21 THR 35 3HG2 THR 35 7.700 -12.270 -4.806 275 HG22 THR 35 1HG2 THR 35 7.324 -13.110 -6.314 276 HG23 THR 35 2HG2 THR 35 8.238 -11.602 -6.349 277 H ARG 36 H ARG 36 9.569 -10.123 -5.008 278 HA ARG 36 HA ARG 36 11.687 -8.837 -6.467 279 HB2 ARG 36 2HB ARG 36 10.439 -8.302 -8.515 280 HB3 ARG 36 3HB ARG 36 10.555 -10.051 -8.343 281 HG2 ARG 36 2HG ARG 36 8.226 -10.168 -7.571 282 HG3 ARG 36 3HG ARG 36 8.099 -8.407 -7.611 283 HD2 ARG 36 2HD ARG 36 7.042 -9.472 -9.587 284 HD3 ARG 36 3HD ARG 36 8.368 -8.398 -10.032 285 HE ARG 36 HE ARG 36 9.556 -10.190 -10.824 286 HH11 ARG 36 1HH1 ARG 36 6.780 -11.441 -9.047 287 HH12 ARG 36 2HH1 ARG 36 7.013 -13.065 -9.599 288 HH21 ARG 36 1HH2 ARG 36 9.845 -12.311 -11.529 289 HH22 ARG 36 2HH2 ARG 36 8.752 -13.558 -11.014 290 H THR 37 H THR 37 10.772 -6.587 -7.236 291 HA THR 37 HA THR 37 8.796 -5.502 -5.305 292 HB THR 37 HB THR 37 9.865 -3.275 -5.719 293 HG1 THR 37 HG1 THR 37 10.766 -3.668 -7.776 294 HG21 THR 37 3HG2 THR 37 11.959 -3.637 -4.473 295 HG22 THR 37 1HG2 THR 37 11.872 -5.369 -4.808 296 HG23 THR 37 2HG2 THR 37 10.651 -4.604 -3.786 297 H MET 38 H MET 38 7.160 -4.152 -6.177 298 HA MET 38 HA MET 38 6.909 -3.969 -9.108 299 HB2 MET 38 2HB MET 38 4.809 -5.154 -7.242 300 HB3 MET 38 3HB MET 38 4.426 -4.563 -8.855 301 HG2 MET 38 2HG MET 38 6.007 -6.213 -9.818 302 HG3 MET 38 3HG MET 38 6.329 -6.831 -8.197 303 HE1 MET 38 3HE MET 38 2.175 -7.043 -10.185 304 HE2 MET 38 1HE MET 38 3.570 -6.291 -10.954 305 HE3 MET 38 2HE MET 38 2.857 -5.563 -9.515 306 H ASP 39 H ASP 39 6.990 -1.858 -9.353 307 HA ASP 39 HA ASP 39 5.825 0.050 -7.494 308 HB2 ASP 39 2HB ASP 39 6.810 1.763 -9.001 309 HB3 ASP 39 3HB ASP 39 8.006 0.553 -8.545 310 H PHE 40 H PHE 40 3.997 1.172 -7.795 311 HA PHE 40 HA PHE 40 2.529 1.086 -10.373 312 HB2 PHE 40 2HB PHE 40 1.226 1.173 -7.609 313 HB3 PHE 40 3HB PHE 40 0.403 1.043 -9.162 314 HD1 PHE 40 HD2 PHE 40 0.876 -1.068 -10.591 315 HD2 PHE 40 HD1 PHE 40 1.847 -0.800 -6.432 316 HE1 PHE 40 HE2 PHE 40 0.993 -3.512 -10.451 317 HE2 PHE 40 HE1 PHE 40 1.968 -3.250 -6.322 318 HZ PHE 40 HZ PHE 40 1.537 -4.607 -8.320 319 HA PRO 41 HA PRO 41 3.735 5.444 -9.261 320 HB2 PRO 41 2HB PRO 41 4.302 6.289 -11.807 321 HB3 PRO 41 3HB PRO 41 5.446 5.313 -10.861 322 HG2 PRO 41 2HG PRO 41 3.515 4.397 -12.991 323 HG3 PRO 41 3HG PRO 41 5.239 3.993 -12.791 324 HD2 PRO 41 2HD PRO 41 3.269 2.319 -11.944 325 HD3 PRO 41 3HD PRO 41 4.825 2.446 -11.090 326 H THR 42 H THR 42 1.440 4.166 -11.538 327 HA THR 42 HA THR 42 -0.349 6.494 -11.214 328 HB THR 42 HB THR 42 -1.216 5.991 -13.533 329 HG1 THR 42 HG1 THR 42 0.977 4.634 -14.414 330 HG21 THR 42 3HG2 THR 42 0.437 7.811 -13.282 331 HG22 THR 42 1HG2 THR 42 0.666 6.960 -14.811 332 HG23 THR 42 2HG2 THR 42 1.756 6.647 -13.459 333 HA PRO 43 HA PRO 43 -3.480 3.445 -9.918 334 HB2 PRO 43 2HB PRO 43 -5.735 4.696 -11.069 335 HB3 PRO 43 3HB PRO 43 -5.054 5.072 -9.472 336 HG2 PRO 43 2HG PRO 43 -4.628 6.484 -12.083 337 HG3 PRO 43 3HG PRO 43 -4.854 7.164 -10.454 338 HD2 PRO 43 2HD PRO 43 -2.403 7.038 -11.553 339 HD3 PRO 43 3HD PRO 43 -2.633 6.734 -9.816 340 H ALA 44 H ALA 44 -3.092 4.485 -13.257 341 HA ALA 44 HA ALA 44 -4.592 2.454 -14.555 342 HB1 ALA 44 3HB ALA 44 -2.199 4.021 -15.594 343 HB2 ALA 44 1HB ALA 44 -3.887 4.527 -15.696 344 HB3 ALA 44 2HB ALA 44 -3.340 3.103 -16.581 345 H ALA 45 H ALA 45 -1.254 2.608 -13.367 346 HA ALA 45 HA ALA 45 -0.276 0.231 -14.592 347 HB1 ALA 45 3HB ALA 45 1.651 0.537 -13.087 348 HB2 ALA 45 1HB ALA 45 0.747 1.736 -12.157 349 HB3 ALA 45 2HB ALA 45 1.185 2.068 -13.833 350 H ALA 46 H ALA 46 -2.266 0.763 -11.850 351 HA ALA 46 HA ALA 46 -1.349 -1.273 -10.117 352 HB1 ALA 46 3HB ALA 46 -2.500 0.743 -9.348 353 HB2 ALA 46 1HB ALA 46 -3.307 -0.718 -8.769 354 HB3 ALA 46 2HB ALA 46 -3.991 0.195 -10.117 355 H PHE 47 H PHE 47 -3.096 -1.714 -12.975 356 HA PHE 47 HA PHE 47 -5.097 -3.556 -12.352 357 HB2 PHE 47 2HB PHE 47 -5.069 -4.240 -14.677 358 HB3 PHE 47 3HB PHE 47 -4.776 -2.510 -14.604 359 HD1 PHE 47 HD1 PHE 47 -2.342 -1.682 -14.852 360 HD2 PHE 47 HD2 PHE 47 -3.527 -5.683 -15.820 361 HE1 PHE 47 HE1 PHE 47 -0.330 -1.955 -16.232 362 HE2 PHE 47 HE2 PHE 47 -1.508 -5.937 -17.193 363 HZ PHE 47 HZ PHE 47 0.092 -4.078 -17.402 364 H ARG 48 H ARG 48 -1.665 -4.020 -12.491 365 HA ARG 48 HA ARG 48 -1.458 -6.810 -12.781 366 HB2 ARG 48 2HB ARG 48 0.378 -4.696 -11.621 367 HB3 ARG 48 3HB ARG 48 0.855 -6.388 -11.679 368 HG2 ARG 48 2HG ARG 48 0.774 -6.416 -14.083 369 HG3 ARG 48 3HG ARG 48 0.052 -4.801 -14.138 370 HD2 ARG 48 2HD ARG 48 2.795 -5.347 -12.947 371 HD3 ARG 48 3HD ARG 48 2.553 -4.931 -14.648 372 HE ARG 48 HE ARG 48 1.310 -2.891 -13.571 373 HH11 ARG 48 1HH1 ARG 48 4.364 -4.268 -12.437 374 HH12 ARG 48 2HH1 ARG 48 4.925 -2.751 -11.809 375 HH21 ARG 48 1HH2 ARG 48 2.090 -0.958 -12.806 376 HH22 ARG 48 2HH2 ARG 48 3.632 -0.875 -12.022 377 H SER 49 H SER 49 -2.453 -4.959 -10.018 378 HA SER 49 HA SER 49 -2.484 -7.384 -8.357 379 HB2 SER 49 2HB SER 49 -0.478 -6.318 -7.569 380 HB3 SER 49 3HB SER 49 -1.238 -4.729 -7.552 381 HG SER 49 HG SER 49 -1.273 -6.703 -5.664 382 HA PRO 50 HA PRO 50 -6.643 -5.813 -7.583 383 HB2 PRO 50 2HB PRO 50 -6.727 -7.683 -5.262 384 HB3 PRO 50 3HB PRO 50 -7.722 -7.676 -6.730 385 HG2 PRO 50 2HG PRO 50 -5.862 -9.574 -6.306 386 HG3 PRO 50 3HG PRO 50 -6.219 -8.954 -7.934 387 HD2 PRO 50 2HD PRO 50 -3.914 -8.249 -6.121 388 HD3 PRO 50 3HD PRO 50 -3.918 -8.570 -7.872 389 H LEU 51 H LEU 51 -4.360 -6.301 -4.877 390 HA LEU 51 HA LEU 51 -5.726 -4.648 -3.004 391 HB2 LEU 51 2HB LEU 51 -4.140 -6.428 -2.319 392 HB3 LEU 51 3HB LEU 51 -2.812 -5.521 -3.025 393 HG LEU 51 HG LEU 51 -3.149 -3.701 -1.352 394 HD11 LEU 51 1HD1 LEU 51 -4.670 -3.988 0.556 395 HD12 LEU 51 2HD1 LEU 51 -5.316 -5.463 -0.171 396 HD13 LEU 51 3HD1 LEU 51 -5.547 -3.905 -0.970 397 HD21 LEU 51 3HD2 LEU 51 -2.332 -4.891 0.623 398 HD22 LEU 51 1HD2 LEU 51 -1.567 -5.497 -0.843 399 HD23 LEU 51 2HD2 LEU 51 -2.851 -6.432 -0.068 400 H ALA 52 H ALA 52 -3.098 -4.101 -5.338 401 HA ALA 52 HA ALA 52 -2.278 -1.521 -4.616 402 HB1 ALA 52 3HB ALA 52 -1.508 -1.286 -6.943 403 HB2 ALA 52 1HB ALA 52 -2.479 -2.683 -7.417 404 HB3 ALA 52 2HB ALA 52 -1.121 -2.885 -6.306 405 H ARG 53 H ARG 53 -4.791 -2.523 -6.933 406 HA ARG 53 HA ARG 53 -5.809 -0.019 -7.643 407 HB2 ARG 53 2HB ARG 53 -6.979 -2.815 -7.641 408 HB3 ARG 53 3HB ARG 53 -7.965 -1.442 -8.136 409 HG2 ARG 53 2HG ARG 53 -6.515 -0.940 -9.976 410 HG3 ARG 53 3HG ARG 53 -5.302 -2.092 -9.423 411 HD2 ARG 53 2HD ARG 53 -8.082 -3.026 -10.161 412 HD3 ARG 53 3HD ARG 53 -6.867 -2.747 -11.411 413 HE ARG 53 HE ARG 53 -5.528 -4.347 -9.733 414 HH11 ARG 53 1HH1 ARG 53 -8.779 -4.703 -11.046 415 HH12 ARG 53 2HH1 ARG 53 -8.721 -6.436 -11.019 416 HH21 ARG 53 1HH2 ARG 53 -5.452 -6.615 -9.790 417 HH22 ARG 53 2HH2 ARG 53 -6.840 -7.513 -10.310 418 H GLN 54 H GLN 54 -6.676 -2.159 -4.934 419 HA GLN 54 HA GLN 54 -8.975 -0.711 -4.043 420 HB2 GLN 54 2HB GLN 54 -7.176 -2.720 -2.623 421 HB3 GLN 54 3HB GLN 54 -8.656 -2.070 -1.917 422 HG2 GLN 54 2HG GLN 54 -9.991 -3.077 -3.693 423 HG3 GLN 54 3HG GLN 54 -8.532 -3.652 -4.498 424 HE21 GLN 54 1HE2 GLN 54 -10.639 -4.101 -1.730 425 HE22 GLN 54 2HE2 GLN 54 -10.042 -5.658 -1.288 426 H LEU 55 H LEU 55 -5.529 -0.538 -3.283 427 HA LEU 55 HA LEU 55 -5.725 1.295 -1.099 428 HB2 LEU 55 2HB LEU 55 -3.369 0.648 -2.917 429 HB3 LEU 55 3HB LEU 55 -3.253 1.680 -1.498 430 HG LEU 55 HG LEU 55 -3.984 -1.277 -1.477 431 HD11 LEU 55 1HD1 LEU 55 -1.433 0.070 -0.561 432 HD12 LEU 55 2HD1 LEU 55 -1.629 -0.929 -2.003 433 HD13 LEU 55 3HD1 LEU 55 -1.826 -1.647 -0.408 434 HD21 LEU 55 3HD2 LEU 55 -5.132 -0.119 0.341 435 HD22 LEU 55 1HD2 LEU 55 -3.615 0.614 0.873 436 HD23 LEU 55 2HD2 LEU 55 -3.844 -1.134 0.979 437 H PHE 56 H PHE 56 -5.291 1.708 -4.622 438 HA PHE 56 HA PHE 56 -5.013 4.544 -4.622 439 HB2 PHE 56 2HB PHE 56 -5.787 2.545 -6.764 440 HB3 PHE 56 3HB PHE 56 -5.896 4.268 -7.096 441 HD1 PHE 56 HD1 PHE 56 -3.788 5.692 -6.851 442 HD2 PHE 56 HD2 PHE 56 -3.681 1.424 -6.968 443 HE1 PHE 56 HE1 PHE 56 -1.426 5.753 -7.503 444 HE2 PHE 56 HE2 PHE 56 -1.316 1.501 -7.606 445 HZ PHE 56 HZ PHE 56 -0.187 3.665 -7.880 446 H ARG 57 H ARG 57 -7.816 2.507 -4.259 447 HA ARG 57 HA ARG 57 -9.806 4.454 -4.968 448 HB2 ARG 57 2HB ARG 57 -9.985 1.909 -3.317 449 HB3 ARG 57 3HB ARG 57 -11.381 2.909 -3.727 450 HG2 ARG 57 2HG ARG 57 -10.912 2.529 -6.135 451 HG3 ARG 57 3HG ARG 57 -9.575 1.467 -5.688 452 HD2 ARG 57 2HD ARG 57 -11.554 0.158 -6.238 453 HD3 ARG 57 3HD ARG 57 -11.155 -0.026 -4.528 454 HE ARG 57 HE ARG 57 -12.987 2.008 -4.565 455 HH11 ARG 57 1HH1 ARG 57 -13.016 -1.295 -5.777 456 HH12 ARG 57 2HH1 ARG 57 -14.729 -1.481 -5.580 457 HH21 ARG 57 1HH2 ARG 57 -15.232 1.737 -4.284 458 HH22 ARG 57 2HH2 ARG 57 -15.983 0.238 -4.732 459 H ILE 58 H ILE 58 -7.769 4.097 -2.244 460 HA ILE 58 HA ILE 58 -9.525 5.239 -0.249 461 HB ILE 58 HB ILE 58 -6.499 4.794 -0.220 462 HG12 ILE 58 2HG1 ILE 58 -8.764 3.124 0.977 463 HG13 ILE 58 3HG1 ILE 58 -7.798 2.690 -0.429 464 HG21 ILE 58 1HG2 ILE 58 -8.338 5.494 2.106 465 HG22 ILE 58 2HG2 ILE 58 -7.120 6.552 1.391 466 HG23 ILE 58 3HG2 ILE 58 -6.622 5.088 2.237 467 HD11 ILE 58 3HD1 ILE 58 -6.787 2.965 2.400 468 HD12 ILE 58 1HD1 ILE 58 -5.815 2.529 0.987 469 HD13 ILE 58 2HD1 ILE 58 -7.108 1.461 1.531 470 H GLU 59 H GLU 59 -9.914 7.360 -0.017 471 HA GLU 59 HA GLU 59 -9.037 9.295 -1.869 472 HB2 GLU 59 2HB GLU 59 -10.395 9.748 0.827 473 HB3 GLU 59 3HB GLU 59 -10.287 10.924 -0.485 474 HG2 GLU 59 2HG GLU 59 -11.641 9.392 -1.922 475 HG3 GLU 59 3HG GLU 59 -11.806 8.291 -0.550 476 H GLY 60 H GLY 60 -6.892 9.691 -1.912 477 HA2 GLY 60 2HA GLY 60 -5.500 11.529 -0.750 478 HA3 GLY 60 3HA GLY 60 -5.436 10.371 0.570 479 H VAL 61 H VAL 61 -5.356 8.130 -1.474 480 HA VAL 61 HA VAL 61 -2.481 7.920 -1.502 481 HB VAL 61 HB VAL 61 -4.658 6.049 -2.513 482 HG11 VAL 61 1HG1 VAL 61 -2.646 5.613 -3.838 483 HG12 VAL 61 2HG1 VAL 61 -2.902 4.296 -2.693 484 HG13 VAL 61 3HG1 VAL 61 -1.666 5.515 -2.371 485 HG21 VAL 61 3HG2 VAL 61 -4.600 6.328 -0.053 486 HG22 VAL 61 1HG2 VAL 61 -2.887 5.891 -0.032 487 HG23 VAL 61 2HG2 VAL 61 -4.099 4.699 -0.512 488 H LYS 62 H LYS 62 -1.275 8.813 -2.987 489 HA LYS 62 HA LYS 62 -2.258 9.587 -5.619 490 HB2 LYS 62 2HB LYS 62 -0.908 11.200 -4.358 491 HB3 LYS 62 3HB LYS 62 0.422 10.057 -4.239 492 HG2 LYS 62 2HG LYS 62 0.882 11.773 -5.933 493 HG3 LYS 62 3HG LYS 62 0.776 10.173 -6.669 494 HD2 LYS 62 2HD LYS 62 -1.577 10.699 -7.373 495 HD3 LYS 62 3HD LYS 62 -1.385 12.326 -6.711 496 HE2 LYS 62 2HE LYS 62 0.388 12.795 -8.333 497 HE3 LYS 62 3HE LYS 62 0.304 11.138 -8.939 498 HZ1 LYS 62 3HZ LYS 62 -1.860 13.161 -9.092 499 HZ2 LYS 62 1HZ LYS 62 -1.983 11.560 -9.620 500 HZ3 LYS 62 2HZ LYS 62 -0.901 12.622 -10.372 501 H SER 63 H SER 63 0.175 7.405 -4.213 502 HA SER 63 HA SER 63 0.300 5.778 -6.608 503 HB2 SER 63 2HB SER 63 2.810 6.001 -6.789 504 HB3 SER 63 3HB SER 63 1.944 7.478 -7.211 505 HG SER 63 HG SER 63 2.497 8.367 -5.270 506 H VAL 64 H VAL 64 1.310 3.734 -6.214 507 HA VAL 64 HA VAL 64 1.859 3.069 -3.369 508 HB VAL 64 HB VAL 64 0.293 1.277 -5.299 509 HG11 VAL 64 1HG1 VAL 64 1.604 -0.010 -3.655 510 HG12 VAL 64 2HG1 VAL 64 -0.122 -0.154 -3.320 511 HG13 VAL 64 3HG1 VAL 64 0.883 0.912 -2.332 512 HG21 VAL 64 3HG2 VAL 64 -1.692 1.696 -3.888 513 HG22 VAL 64 1HG2 VAL 64 -1.103 3.188 -4.627 514 HG23 VAL 64 2HG2 VAL 64 -0.769 2.857 -2.924 515 H PHE 65 H PHE 65 3.491 1.633 -3.054 516 HA PHE 65 HA PHE 65 4.855 0.331 -5.333 517 HB2 PHE 65 2HB PHE 65 6.185 2.298 -4.564 518 HB3 PHE 65 3HB PHE 65 6.161 1.688 -2.917 519 HD1 PHE 65 HD2 PHE 65 7.471 1.048 -6.340 520 HD2 PHE 65 HD1 PHE 65 7.809 0.059 -2.187 521 HE1 PHE 65 HE2 PHE 65 9.580 -0.131 -6.786 522 HE2 PHE 65 HE1 PHE 65 9.922 -1.114 -2.648 523 HZ PHE 65 HZ PHE 65 10.807 -1.212 -4.944 524 H PHE 66 H PHE 66 5.210 -1.801 -5.002 525 HA PHE 66 HA PHE 66 4.708 -3.008 -2.349 526 HB2 PHE 66 2HB PHE 66 4.637 -4.159 -5.167 527 HB3 PHE 66 3HB PHE 66 4.639 -5.178 -3.734 528 HD1 PHE 66 HD2 PHE 66 2.677 -2.125 -3.283 529 HD2 PHE 66 HD1 PHE 66 2.558 -6.111 -4.847 530 HE1 PHE 66 HE2 PHE 66 0.225 -2.086 -3.222 531 HE2 PHE 66 HE1 PHE 66 0.108 -6.045 -4.777 532 HZ PHE 66 HZ PHE 66 -1.061 -4.041 -3.964 533 H GLY 67 H GLY 67 6.390 -3.776 -1.253 534 HA2 GLY 67 2HA GLY 67 9.032 -4.108 -2.575 535 HA3 GLY 67 3HA GLY 67 8.832 -3.308 -1.021 536 HA PRO 68 HA PRO 68 9.757 -7.972 -0.548 537 HB2 PRO 68 2HB PRO 68 12.065 -7.650 0.978 538 HB3 PRO 68 3HB PRO 68 12.056 -7.846 -0.787 539 HG2 PRO 68 2HG PRO 68 12.262 -5.316 0.823 540 HG3 PRO 68 3HG PRO 68 13.148 -5.795 -0.644 541 HD2 PRO 68 2HD PRO 68 11.062 -4.087 -0.780 542 HD3 PRO 68 3HD PRO 68 11.370 -5.275 -2.064 543 H ASP 69 H ASP 69 8.159 -8.459 0.826 544 HA ASP 69 HA ASP 69 7.089 -9.016 2.746 545 HB2 ASP 69 2HB ASP 69 9.588 -7.963 4.153 546 HB3 ASP 69 3HB ASP 69 8.287 -8.838 4.955 547 H SER 70 H SER 70 7.163 -6.100 1.616 548 HA SER 70 HA SER 70 5.692 -4.785 3.752 549 HB2 SER 70 2HB SER 70 7.249 -2.814 3.810 550 HB3 SER 70 3HB SER 70 8.006 -4.286 4.423 551 HG SER 70 HG SER 70 8.946 -4.535 2.313 552 H ILE 71 H ILE 71 5.070 -2.602 3.097 553 HA ILE 71 HA ILE 71 4.611 -2.212 0.197 554 HB ILE 71 HB ILE 71 2.696 -1.235 2.384 555 HG12 ILE 71 2HG1 ILE 71 2.519 -3.926 0.936 556 HG13 ILE 71 3HG1 ILE 71 2.881 -3.706 2.642 557 HG21 ILE 71 1HG2 ILE 71 1.056 -1.133 0.539 558 HG22 ILE 71 2HG2 ILE 71 2.257 -1.789 -0.578 559 HG23 ILE 71 3HG2 ILE 71 2.503 -0.199 0.147 560 HD11 ILE 71 3HD1 ILE 71 0.614 -4.432 2.318 561 HD12 ILE 71 1HD1 ILE 71 0.277 -3.042 1.282 562 HD13 ILE 71 2HD1 ILE 71 0.643 -2.802 2.995 563 H THR 72 H THR 72 4.747 0.025 -0.440 564 HA THR 72 HA THR 72 5.231 2.065 1.626 565 HB THR 72 HB THR 72 6.890 1.862 -0.940 566 HG1 THR 72 HG1 THR 72 7.260 0.775 1.510 567 HG21 THR 72 3HG2 THR 72 8.169 3.774 -0.023 568 HG22 THR 72 1HG2 THR 72 7.074 3.856 1.360 569 HG23 THR 72 2HG2 THR 72 6.478 4.215 -0.262 570 H VAL 73 H VAL 73 3.562 3.439 1.398 571 HA VAL 73 HA VAL 73 2.333 3.867 -1.272 572 HB VAL 73 HB VAL 73 1.036 4.057 1.498 573 HG11 VAL 73 1HG1 VAL 73 -1.097 4.463 0.310 574 HG12 VAL 73 2HG1 VAL 73 -0.237 4.483 -1.232 575 HG13 VAL 73 3HG1 VAL 73 0.079 5.735 -0.029 576 HG21 VAL 73 3HG2 VAL 73 0.563 2.025 -0.723 577 HG22 VAL 73 1HG2 VAL 73 -0.334 2.113 0.796 578 HG23 VAL 73 2HG2 VAL 73 1.385 1.714 0.809 579 H THR 74 H THR 74 2.218 5.973 -1.951 580 HA THR 74 HA THR 74 3.109 8.134 -0.133 581 HB THR 74 HB THR 74 3.133 8.159 -3.189 582 HG1 THR 74 HG1 THR 74 4.643 6.659 -2.101 583 HG21 THR 74 3HG2 THR 74 3.002 10.423 -2.159 584 HG22 THR 74 1HG2 THR 74 4.578 10.158 -2.913 585 HG23 THR 74 2HG2 THR 74 4.408 10.049 -1.160 586 H LYS 75 H LYS 75 1.669 9.694 0.333 587 HA LYS 75 HA LYS 75 -1.026 9.649 -0.853 588 HB2 LYS 75 2HB LYS 75 -1.589 11.283 0.972 589 HB3 LYS 75 3HB LYS 75 -0.972 9.744 1.573 590 HG2 LYS 75 2HG LYS 75 1.289 10.839 1.797 591 HG3 LYS 75 3HG LYS 75 0.513 12.380 1.417 592 HD2 LYS 75 2HD LYS 75 -0.860 12.240 3.416 593 HD3 LYS 75 3HD LYS 75 -0.293 10.599 3.750 594 HE2 LYS 75 2HE LYS 75 0.848 12.163 5.222 595 HE3 LYS 75 3HE LYS 75 2.015 11.498 4.079 596 HZ1 LYS 75 3HZ LYS 75 1.820 13.537 2.787 597 HZ2 LYS 75 1HZ LYS 75 2.301 13.867 4.372 598 HZ3 LYS 75 2HZ LYS 75 0.707 14.155 3.893 599 H GLU 76 H GLU 76 -1.975 11.943 -1.194 600 HA GLU 76 HA GLU 76 -0.917 12.979 -3.532 601 HB2 GLU 76 2HB GLU 76 -2.908 14.185 -1.566 602 HB3 GLU 76 3HB GLU 76 -2.532 14.950 -3.104 603 HG2 GLU 76 2HG GLU 76 -3.731 12.183 -2.783 604 HG3 GLU 76 3HG GLU 76 -4.642 13.649 -3.148 605 H ASN 77 H ASN 77 -0.803 14.339 -0.280 606 HA ASN 77 HA ASN 77 1.486 15.985 -0.762 607 HB2 ASN 77 2HB ASN 77 0.158 18.163 -0.314 608 HB3 ASN 77 3HB ASN 77 0.007 17.469 -1.918 609 HD21 ASN 77 1HD2 ASN 77 -1.806 16.181 0.871 610 HD22 ASN 77 2HD2 ASN 77 -3.340 16.720 0.313 611 H GLU 78 H GLU 78 1.700 17.559 1.191 612 HA GLU 78 HA GLU 78 1.579 15.874 3.547 613 HB2 GLU 78 2HB GLU 78 2.801 18.630 3.131 614 HB3 GLU 78 3HB GLU 78 2.999 17.642 4.580 615 HG2 GLU 78 2HG GLU 78 4.193 15.937 3.335 616 HG3 GLU 78 3HG GLU 78 3.857 16.750 1.807 617 H GLU 79 H GLU 79 -0.531 18.110 2.202 618 HA GLU 79 HA GLU 79 -1.761 19.317 4.449 619 HB2 GLU 79 2HB GLU 79 -2.283 19.983 2.115 620 HB3 GLU 79 3HB GLU 79 -2.996 18.407 1.800 621 HG2 GLU 79 2HG GLU 79 -4.766 20.034 2.132 622 HG3 GLU 79 3HG GLU 79 -4.772 18.891 3.474 623 H LEU 80 H LEU 80 -2.237 16.216 2.817 624 HA LEU 80 HA LEU 80 -4.109 15.144 4.732 625 HB2 LEU 80 2HB LEU 80 -2.422 13.791 2.588 626 HB3 LEU 80 3HB LEU 80 -3.734 13.028 3.483 627 HG LEU 80 HG LEU 80 -4.145 15.436 1.669 628 HD11 LEU 80 1HD1 LEU 80 -4.528 12.517 1.014 629 HD12 LEU 80 2HD1 LEU 80 -3.292 13.587 0.348 630 HD13 LEU 80 3HD1 LEU 80 -4.991 13.883 -0.008 631 HD21 LEU 80 3HD2 LEU 80 -5.896 15.144 3.366 632 HD22 LEU 80 1HD2 LEU 80 -6.130 13.465 2.866 633 HD23 LEU 80 2HD2 LEU 80 -6.520 14.788 1.760 634 H ASP 81 H ASP 81 -3.480 14.418 6.629 635 HA ASP 81 HA ASP 81 -0.718 13.641 7.221 636 HB2 ASP 81 2HB ASP 81 -1.996 15.039 8.860 637 HB3 ASP 81 3HB ASP 81 -3.160 13.731 9.060 638 H TRP 82 H TRP 82 -0.137 11.527 7.954 639 HA TRP 82 HA TRP 82 -1.315 9.460 6.439 640 HB2 TRP 82 2HB TRP 82 0.962 9.562 8.404 641 HB3 TRP 82 3HB TRP 82 0.295 7.979 8.028 642 HD1 TRP 82 HD1 TRP 82 3.026 10.060 6.887 643 HE1 TRP 82 HE1 TRP 82 3.698 9.500 4.467 644 HE3 TRP 82 HE3 TRP 82 -1.107 7.348 5.465 645 HZ2 TRP 82 HZ2 TRP 82 2.624 8.105 2.260 646 HZ3 TRP 82 HZ3 TRP 82 -1.190 6.441 3.178 647 HH2 TRP 82 HH2 TRP 82 0.643 6.816 1.611 648 H ASN 83 H ASN 83 -1.811 10.416 9.812 649 HA ASN 83 HA ASN 83 -2.915 7.998 10.804 650 HB2 ASN 83 2HB ASN 83 -3.337 10.870 11.725 651 HB3 ASN 83 3HB ASN 83 -3.989 9.478 12.588 652 HD21 ASN 83 1HD2 ASN 83 -2.051 11.504 13.428 653 HD22 ASN 83 2HD2 ASN 83 -0.646 10.638 13.934 654 H LEU 84 H LEU 84 -4.206 10.373 8.669 655 HA LEU 84 HA LEU 84 -7.019 9.874 9.115 656 HB2 LEU 84 2HB LEU 84 -5.661 11.132 6.694 657 HB3 LEU 84 3HB LEU 84 -7.353 11.292 7.151 658 HG LEU 84 HG LEU 84 -4.994 12.429 8.713 659 HD11 LEU 84 1HD1 LEU 84 -6.985 13.866 6.941 660 HD12 LEU 84 2HD1 LEU 84 -5.272 13.594 6.602 661 HD13 LEU 84 3HD1 LEU 84 -5.746 14.626 7.947 662 HD21 LEU 84 3HD2 LEU 84 -7.972 12.809 9.181 663 HD22 LEU 84 1HD2 LEU 84 -6.673 13.638 10.047 664 HD23 LEU 84 2HD2 LEU 84 -6.860 11.894 10.205 665 H LEU 85 H LEU 85 -4.529 8.830 6.808 666 HA LEU 85 HA LEU 85 -6.309 7.170 5.235 667 HB2 LEU 85 2HB LEU 85 -3.278 7.454 5.190 668 HB3 LEU 85 3HB LEU 85 -4.197 6.455 4.076 669 HG LEU 85 HG LEU 85 -5.430 8.697 3.457 670 HD11 LEU 85 1HD1 LEU 85 -2.893 9.868 4.602 671 HD12 LEU 85 2HD1 LEU 85 -4.530 10.100 5.217 672 HD13 LEU 85 3HD1 LEU 85 -4.095 10.731 3.632 673 HD21 LEU 85 3HD2 LEU 85 -2.583 8.205 2.525 674 HD22 LEU 85 1HD2 LEU 85 -3.797 9.178 1.686 675 HD23 LEU 85 2HD2 LEU 85 -4.040 7.445 1.881 676 H LYS 86 H LYS 86 -3.997 6.617 7.872 677 HA LYS 86 HA LYS 86 -3.250 4.022 7.539 678 HB2 LYS 86 2HB LYS 86 -3.689 5.552 10.107 679 HB3 LYS 86 3HB LYS 86 -3.047 3.912 10.117 680 HG2 LYS 86 2HG LYS 86 -1.106 4.611 8.830 681 HG3 LYS 86 3HG LYS 86 -1.765 6.241 8.663 682 HD2 LYS 86 2HD LYS 86 -1.696 6.461 11.179 683 HD3 LYS 86 3HD LYS 86 -0.885 4.893 11.246 684 HE2 LYS 86 2HE LYS 86 1.001 5.805 9.967 685 HE3 LYS 86 3HE LYS 86 0.175 7.359 9.827 686 HZ1 LYS 86 3HZ LYS 86 0.291 7.607 12.210 687 HZ2 LYS 86 1HZ LYS 86 1.838 7.350 11.588 688 HZ3 LYS 86 2HZ LYS 86 1.025 6.095 12.376 689 HA PRO 87 HA PRO 87 -7.021 2.240 10.227 690 HB2 PRO 87 2HB PRO 87 -9.411 3.694 9.992 691 HB3 PRO 87 3HB PRO 87 -8.298 3.811 11.371 692 HG2 PRO 87 2HG PRO 87 -8.503 5.594 8.959 693 HG3 PRO 87 3HG PRO 87 -8.325 6.036 10.676 694 HD2 PRO 87 2HD PRO 87 -6.204 6.095 9.068 695 HD3 PRO 87 3HD PRO 87 -6.042 5.481 10.725 696 H ASP 88 H ASP 88 -7.668 4.106 7.291 697 HA ASP 88 HA ASP 88 -9.584 2.314 6.146 698 HB2 ASP 88 2HB ASP 88 -9.141 4.865 5.656 699 HB3 ASP 88 3HB ASP 88 -7.915 4.291 4.535 700 H ILE 89 H ILE 89 -6.125 2.941 5.619 701 HA ILE 89 HA ILE 89 -5.625 1.131 3.533 702 HB ILE 89 HB ILE 89 -3.710 2.312 5.602 703 HG12 ILE 89 2HG1 ILE 89 -4.292 3.082 2.700 704 HG13 ILE 89 3HG1 ILE 89 -4.771 3.992 4.128 705 HG21 ILE 89 1HG2 ILE 89 -2.972 0.799 3.064 706 HG22 ILE 89 2HG2 ILE 89 -2.715 0.238 4.716 707 HG23 ILE 89 3HG2 ILE 89 -1.834 1.645 4.122 708 HD11 ILE 89 3HD1 ILE 89 -2.402 4.418 4.623 709 HD12 ILE 89 1HD1 ILE 89 -2.896 5.032 3.046 710 HD13 ILE 89 2HD1 ILE 89 -1.951 3.547 3.153 711 H TYR 90 H TYR 90 -5.312 0.766 7.062 712 HA TYR 90 HA TYR 90 -4.218 -1.838 7.099 713 HB2 TYR 90 2HB TYR 90 -5.880 -0.474 9.260 714 HB3 TYR 90 3HB TYR 90 -4.926 -1.937 9.489 715 HD1 TYR 90 HD2 TYR 90 -2.650 -0.454 7.538 716 HD2 TYR 90 HD1 TYR 90 -4.608 0.363 11.252 717 HE1 TYR 90 HE2 TYR 90 -0.747 0.920 8.243 718 HE2 TYR 90 HE1 TYR 90 -2.710 1.736 11.948 719 HH TYR 90 HH TYR 90 -0.250 1.880 11.402 720 H ALA 91 H ALA 91 -7.562 -0.627 7.315 721 HA ALA 91 HA ALA 91 -8.904 -3.060 7.676 722 HB1 ALA 91 3HB ALA 91 -9.983 -0.871 7.989 723 HB2 ALA 91 1HB ALA 91 -10.908 -1.871 6.863 724 HB3 ALA 91 2HB ALA 91 -9.891 -0.561 6.255 725 H THR 92 H THR 92 -7.952 -1.356 4.705 726 HA THR 92 HA THR 92 -9.113 -3.044 2.789 727 HB THR 92 HB THR 92 -6.617 -1.301 2.504 728 HG1 THR 92 HG1 THR 92 -8.023 0.259 2.765 729 HG21 THR 92 3HG2 THR 92 -7.227 -1.182 0.109 730 HG22 THR 92 1HG2 THR 92 -8.555 -2.310 0.390 731 HG23 THR 92 2HG2 THR 92 -6.886 -2.846 0.590 732 H ILE 93 H ILE 93 -5.812 -3.002 4.112 733 HA ILE 93 HA ILE 93 -4.692 -5.114 2.612 734 HB ILE 93 HB ILE 93 -3.881 -4.012 5.347 735 HG12 ILE 93 2HG1 ILE 93 -2.629 -3.482 2.605 736 HG13 ILE 93 3HG1 ILE 93 -3.792 -2.412 3.379 737 HG21 ILE 93 1HG2 ILE 93 -2.275 -5.872 3.540 738 HG22 ILE 93 2HG2 ILE 93 -2.955 -6.282 5.114 739 HG23 ILE 93 3HG2 ILE 93 -1.663 -5.089 5.003 740 HD11 ILE 93 3HD1 ILE 93 -2.225 -2.050 5.227 741 HD12 ILE 93 1HD1 ILE 93 -1.541 -1.595 3.666 742 HD13 ILE 93 2HD1 ILE 93 -1.051 -3.104 4.432 743 H MET 94 H MET 94 -5.894 -5.114 5.998 744 HA MET 94 HA MET 94 -5.394 -7.850 6.470 745 HB2 MET 94 2HB MET 94 -7.227 -5.933 7.969 746 HB3 MET 94 3HB MET 94 -6.771 -7.534 8.549 747 HG2 MET 94 2HG MET 94 -4.390 -6.820 8.552 748 HG3 MET 94 3HG MET 94 -4.896 -5.201 8.067 749 HE1 MET 94 3HE MET 94 -6.888 -4.000 11.239 750 HE2 MET 94 1HE MET 94 -7.559 -4.737 9.786 751 HE3 MET 94 2HE MET 94 -6.272 -3.538 9.653 752 H ASP 95 H ASP 95 -8.340 -6.151 5.406 753 HA ASP 95 HA ASP 95 -10.162 -8.270 5.336 754 HB2 ASP 95 2HB ASP 95 -10.844 -5.952 4.951 755 HB3 ASP 95 3HB ASP 95 -9.881 -5.869 3.483 756 H PHE 96 H PHE 96 -7.966 -7.140 2.795 757 HA PHE 96 HA PHE 96 -8.626 -8.949 0.747 758 HB2 PHE 96 2HB PHE 96 -7.438 -6.819 0.395 759 HB3 PHE 96 3HB PHE 96 -6.068 -7.395 1.333 760 HD1 PHE 96 HD2 PHE 96 -7.991 -8.030 -1.806 761 HD2 PHE 96 HD1 PHE 96 -4.272 -8.491 0.245 762 HE1 PHE 96 HE2 PHE 96 -6.934 -8.820 -3.873 763 HE2 PHE 96 HE1 PHE 96 -3.235 -9.271 -1.820 764 HZ PHE 96 HZ PHE 96 -4.549 -9.436 -3.888 765 H PHE 97 H PHE 97 -6.195 -9.102 3.320 766 HA PHE 97 HA PHE 97 -4.976 -11.587 2.566 767 HB2 PHE 97 2HB PHE 97 -4.854 -9.893 5.095 768 HB3 PHE 97 3HB PHE 97 -4.033 -11.448 4.991 769 HD1 PHE 97 HD1 PHE 97 -4.300 -8.764 2.346 770 HD2 PHE 97 HD2 PHE 97 -1.744 -10.864 5.061 771 HE1 PHE 97 HE1 PHE 97 -2.348 -7.645 1.377 772 HE2 PHE 97 HE2 PHE 97 0.203 -9.735 4.075 773 HZ PHE 97 HZ PHE 97 -0.096 -8.126 2.235 774 H ALA 98 H ALA 98 -7.617 -10.662 4.734 775 HA ALA 98 HA ALA 98 -7.985 -13.160 6.044 776 HB1 ALA 98 3HB ALA 98 -10.143 -12.251 6.790 777 HB2 ALA 98 1HB ALA 98 -10.000 -10.926 5.631 778 HB3 ALA 98 2HB ALA 98 -8.860 -11.053 6.973 779 H SER 99 H SER 99 -9.207 -11.808 3.020 780 HA SER 99 HA SER 99 -11.061 -13.943 2.464 781 HB2 SER 99 2HB SER 99 -9.832 -11.880 0.579 782 HB3 SER 99 3HB SER 99 -11.234 -12.905 0.235 783 HG SER 99 HG SER 99 -12.188 -11.881 2.147 784 H GLY 100 H GLY 100 -7.658 -13.357 2.040 785 HA2 GLY 100 2HA GLY 100 -5.931 -14.741 1.475 786 HA3 GLY 100 3HA GLY 100 -7.076 -16.059 1.260 787 H LEU 101 H LEU 101 -7.347 -12.977 -0.376 788 HA LEU 101 HA LEU 101 -7.432 -14.156 -2.983 789 HB2 LEU 101 2HB LEU 101 -7.241 -11.232 -2.143 790 HB3 LEU 101 3HB LEU 101 -7.585 -11.784 -3.776 791 HG LEU 101 HG LEU 101 -9.380 -12.221 -1.354 792 HD11 LEU 101 1HD1 LEU 101 -9.752 -10.332 -3.699 793 HD12 LEU 101 2HD1 LEU 101 -9.358 -9.875 -2.039 794 HD13 LEU 101 3HD1 LEU 101 -10.912 -10.625 -2.396 795 HD21 LEU 101 3HD2 LEU 101 -9.877 -12.925 -4.266 796 HD22 LEU 101 1HD2 LEU 101 -11.050 -13.063 -2.949 797 HD23 LEU 101 2HD2 LEU 101 -9.602 -14.065 -2.946 798 HA PRO 102 HA PRO 102 -3.070 -14.159 -4.054 799 HB2 PRO 102 2HB PRO 102 -3.197 -13.499 -6.771 800 HB3 PRO 102 3HB PRO 102 -3.509 -15.124 -6.124 801 HG2 PRO 102 2HG PRO 102 -5.480 -12.985 -6.879 802 HG3 PRO 102 3HG PRO 102 -5.550 -14.737 -7.186 803 HD2 PRO 102 2HD PRO 102 -6.978 -13.620 -5.196 804 HD3 PRO 102 3HD PRO 102 -6.245 -15.229 -4.999 805 H LEU 103 H LEU 103 -1.730 -12.646 -3.422 806 HA LEU 103 HA LEU 103 -2.162 -10.006 -2.934 807 HB2 LEU 103 2HB LEU 103 -0.275 -11.612 -2.153 808 HB3 LEU 103 3HB LEU 103 0.598 -11.119 -3.581 809 HG LEU 103 HG LEU 103 1.284 -9.998 -1.408 810 HD11 LEU 103 1HD1 LEU 103 1.892 -9.013 -3.564 811 HD12 LEU 103 2HD1 LEU 103 1.616 -7.785 -2.333 812 HD13 LEU 103 3HD1 LEU 103 0.389 -8.083 -3.569 813 HD21 LEU 103 3HD2 LEU 103 -0.093 -8.228 -0.471 814 HD22 LEU 103 1HD2 LEU 103 -0.975 -9.751 -0.447 815 HD23 LEU 103 2HD2 LEU 103 -1.359 -8.529 -1.663 816 H VAL 104 H VAL 104 -0.388 -11.325 -5.667 817 HA VAL 104 HA VAL 104 -1.065 -8.975 -7.344 818 HB VAL 104 HB VAL 104 1.533 -10.591 -7.274 819 HG11 VAL 104 1HG1 VAL 104 0.724 -8.435 -9.249 820 HG12 VAL 104 2HG1 VAL 104 0.884 -10.155 -9.609 821 HG13 VAL 104 3HG1 VAL 104 2.307 -9.216 -9.159 822 HG21 VAL 104 3HG2 VAL 104 1.430 -8.811 -5.566 823 HG22 VAL 104 1HG2 VAL 104 1.053 -7.617 -6.811 824 HG23 VAL 104 2HG2 VAL 104 2.625 -8.424 -6.802 825 H THR 105 H THR 105 -1.950 -9.504 -9.301 826 HA THR 105 HA THR 105 -2.516 -12.323 -9.890 827 HB THR 105 HB THR 105 -4.075 -11.295 -11.652 828 HG1 THR 105 HG1 THR 105 -3.887 -9.221 -11.974 829 HG21 THR 105 3HG2 THR 105 -4.540 -10.527 -8.745 830 HG22 THR 105 1HG2 THR 105 -4.945 -12.079 -9.486 831 HG23 THR 105 2HG2 THR 105 -5.787 -10.611 -9.991 832 H GLU 106 H GLU 106 -1.123 -9.442 -11.517 833 HA GLU 106 HA GLU 106 0.307 -11.239 -13.402 834 HB2 GLU 106 2HB GLU 106 -0.563 -8.342 -13.800 835 HB3 GLU 106 3HB GLU 106 0.482 -9.228 -14.910 836 HG2 GLU 106 2HG GLU 106 -2.419 -9.819 -14.257 837 HG3 GLU 106 3HG GLU 106 -1.767 -9.215 -15.780 838 H GLU 107 H GLU 107 2.141 -11.608 -12.260 839 HA GLU 107 HA GLU 107 3.609 -9.426 -10.981 840 HB2 GLU 107 2HB GLU 107 5.150 -11.336 -10.230 841 HB3 GLU 107 3HB GLU 107 3.510 -11.335 -9.596 842 HG2 GLU 107 2HG GLU 107 2.872 -13.083 -11.215 843 HG3 GLU 107 3HG GLU 107 4.508 -13.082 -11.875 Start of MODEL 5 1 H1 MET 1 1H MET 1 -8.595 -35.521 8.799 2 H2 MET 1 2H MET 1 -7.027 -35.063 9.222 3 H3 MET 1 3H MET 1 -7.279 -36.454 8.301 4 HA MET 1 HA MET 1 -6.466 -34.639 6.947 5 HB2 MET 1 2HB MET 1 -9.368 -35.424 6.389 6 HB3 MET 1 3HB MET 1 -8.297 -34.667 5.209 7 HG2 MET 1 2HG MET 1 -8.401 -37.052 4.799 8 HG3 MET 1 3HG MET 1 -6.783 -36.625 5.363 9 HE1 MET 1 3HE MET 1 -7.135 -40.177 6.968 10 HE2 MET 1 1HE MET 1 -6.108 -39.105 6.017 11 HE3 MET 1 2HE MET 1 -7.645 -39.668 5.358 12 H GLY 2 H GLY 2 -6.109 -32.590 7.693 13 HA2 GLY 2 2HA GLY 2 -7.581 -30.405 7.070 14 HA3 GLY 2 3HA GLY 2 -8.246 -30.852 8.642 15 H HIS 3 H HIS 3 -7.382 -28.598 9.045 16 HA HIS 3 HA HIS 3 -4.951 -28.796 10.595 17 HB2 HIS 3 2HB HIS 3 -4.074 -28.218 8.292 18 HB3 HIS 3 3HB HIS 3 -5.074 -26.769 8.296 19 HD1 HIS 3 HD1 HIS 3 -1.897 -28.177 9.645 20 HD2 HIS 3 HD2 HIS 3 -4.099 -24.665 9.989 21 HE1 HIS 3 HE1 HIS 3 -0.372 -26.524 10.758 22 HE2 HIS 3 HE2 HIS 3 -1.703 -24.396 10.902 23 H HIS 4 H HIS 4 -5.088 -27.368 12.329 24 HA HIS 4 HA HIS 4 -7.492 -26.036 12.948 25 HB2 HIS 4 2HB HIS 4 -4.721 -25.649 14.160 26 HB3 HIS 4 3HB HIS 4 -6.186 -24.947 14.826 27 HD1 HIS 4 HD1 HIS 4 -4.018 -27.783 15.166 28 HD2 HIS 4 HD2 HIS 4 -8.077 -27.086 15.731 29 HE1 HIS 4 HE1 HIS 4 -4.803 -29.601 16.707 30 HE2 HIS 4 HE2 HIS 4 -7.284 -29.261 16.890 31 H HIS 5 H HIS 5 -8.019 -24.607 11.218 32 HA HIS 5 HA HIS 5 -6.389 -22.211 10.775 33 HB2 HIS 5 2HB HIS 5 -9.123 -23.052 9.728 34 HB3 HIS 5 3HB HIS 5 -8.447 -21.459 9.417 35 HD1 HIS 5 HD1 HIS 5 -6.685 -21.254 7.610 36 HD2 HIS 5 HD2 HIS 5 -7.784 -25.192 8.362 37 HE1 HIS 5 HE1 HIS 5 -5.723 -22.598 5.725 38 HE2 HIS 5 HE2 HIS 5 -6.527 -24.941 6.121 39 H HIS 6 H HIS 6 -6.460 -22.069 13.192 40 HA HIS 6 HA HIS 6 -8.625 -21.199 14.719 41 HB2 HIS 6 2HB HIS 6 -6.780 -20.215 16.216 42 HB3 HIS 6 3HB HIS 6 -6.636 -21.928 15.836 43 HD1 HIS 6 HD1 HIS 6 -4.710 -22.629 14.192 44 HD2 HIS 6 HD2 HIS 6 -4.669 -18.608 15.267 45 HE1 HIS 6 HE1 HIS 6 -2.492 -21.742 13.432 46 HE2 HIS 6 HE2 HIS 6 -2.569 -19.293 13.934 47 H HIS 7 H HIS 7 -9.585 -19.201 15.066 48 HA HIS 7 HA HIS 7 -8.866 -17.083 13.120 49 HB2 HIS 7 2HB HIS 7 -11.531 -17.635 14.495 50 HB3 HIS 7 3HB HIS 7 -11.222 -16.292 13.399 51 HD1 HIS 7 HD1 HIS 7 -13.256 -18.817 13.065 52 HD2 HIS 7 HD2 HIS 7 -9.699 -18.112 11.027 53 HE1 HIS 7 HE1 HIS 7 -13.455 -20.073 10.896 54 HE2 HIS 7 HE2 HIS 7 -11.378 -19.477 9.619 55 H HIS 8 H HIS 8 -7.880 -15.375 13.883 56 HA HIS 8 HA HIS 8 -9.107 -13.670 15.788 57 HB2 HIS 8 2HB HIS 8 -7.409 -13.464 17.486 58 HB3 HIS 8 3HB HIS 8 -7.725 -15.189 17.340 59 HD1 HIS 8 HD1 HIS 8 -5.012 -12.731 17.273 60 HD2 HIS 8 HD2 HIS 8 -5.596 -16.592 15.842 61 HE1 HIS 8 HE1 HIS 8 -2.723 -13.610 16.737 62 HE2 HIS 8 HE2 HIS 8 -3.094 -15.972 15.990 63 H SER 9 H SER 9 -7.660 -11.556 15.961 64 HA SER 9 HA SER 9 -6.804 -10.794 13.346 65 HB2 SER 9 2HB SER 9 -6.405 -9.360 16.004 66 HB3 SER 9 3HB SER 9 -6.123 -8.647 14.413 67 HG SER 9 HG SER 9 -8.272 -8.760 13.978 68 H HIS 10 H HIS 10 -5.166 -12.046 12.628 69 HA HIS 10 HA HIS 10 -2.638 -12.310 14.166 70 HB2 HIS 10 2HB HIS 10 -2.152 -14.278 12.754 71 HB3 HIS 10 3HB HIS 10 -3.710 -14.458 13.554 72 HD1 HIS 10 HD1 HIS 10 -2.152 -14.757 10.309 73 HD2 HIS 10 HD2 HIS 10 -5.964 -13.828 11.676 74 HE1 HIS 10 HE1 HIS 10 -3.689 -15.133 8.360 75 HE2 HIS 10 HE2 HIS 10 -5.987 -14.681 9.250 76 H MET 11 H MET 11 -4.035 -10.753 11.472 77 HA MET 11 HA MET 11 -1.571 -10.523 9.917 78 HB2 MET 11 2HB MET 11 -3.765 -10.901 8.786 79 HB3 MET 11 3HB MET 11 -4.363 -9.376 9.434 80 HG2 MET 11 2HG MET 11 -3.693 -9.161 7.087 81 HG3 MET 11 3HG MET 11 -2.691 -8.150 8.135 82 HE1 MET 11 3HE MET 11 -0.151 -9.188 5.378 83 HE2 MET 11 1HE MET 11 -0.796 -7.850 6.329 84 HE3 MET 11 2HE MET 11 -1.844 -8.726 5.212 85 H PHE 12 H PHE 12 -0.366 -9.428 11.576 86 HA PHE 12 HA PHE 12 -1.209 -6.831 12.592 87 HB2 PHE 12 2HB PHE 12 1.465 -8.252 12.983 88 HB3 PHE 12 3HB PHE 12 0.861 -6.883 13.911 89 HD1 PHE 12 HD2 PHE 12 -1.392 -7.286 15.234 90 HD2 PHE 12 HD1 PHE 12 1.141 -10.433 13.820 91 HE1 PHE 12 HE2 PHE 12 -2.377 -8.836 16.879 92 HE2 PHE 12 HE1 PHE 12 0.147 -11.970 15.464 93 HZ PHE 12 HZ PHE 12 -1.610 -11.174 16.996 94 H ILE 13 H ILE 13 -0.691 -4.901 11.641 95 HA ILE 13 HA ILE 13 1.473 -4.816 9.611 96 HB ILE 13 HB ILE 13 -0.998 -3.014 9.734 97 HG12 ILE 13 2HG1 ILE 13 -0.478 -5.312 7.782 98 HG13 ILE 13 3HG1 ILE 13 -1.568 -5.411 9.160 99 HG21 ILE 13 1HG2 ILE 13 -0.284 -2.271 7.465 100 HG22 ILE 13 2HG2 ILE 13 1.147 -3.298 7.578 101 HG23 ILE 13 3HG2 ILE 13 0.956 -1.929 8.676 102 HD11 ILE 13 3HD1 ILE 13 -1.869 -3.585 6.786 103 HD12 ILE 13 1HD1 ILE 13 -2.949 -3.643 8.184 104 HD13 ILE 13 2HD1 ILE 13 -2.791 -5.047 7.129 105 H GLN 14 H GLN 14 3.189 -3.773 10.459 106 HA GLN 14 HA GLN 14 2.835 -1.631 12.472 107 HB2 GLN 14 2HB GLN 14 5.246 -2.072 13.035 108 HB3 GLN 14 3HB GLN 14 4.210 -3.465 13.312 109 HG2 GLN 14 2HG GLN 14 4.990 -4.459 11.181 110 HG3 GLN 14 3HG GLN 14 6.036 -3.064 10.925 111 HE21 GLN 14 1HE2 GLN 14 7.899 -4.369 10.889 112 HE22 GLN 14 2HE2 GLN 14 8.541 -5.105 12.313 113 H THR 15 H THR 15 3.896 0.368 12.135 114 HA THR 15 HA THR 15 4.540 0.950 9.306 115 HB THR 15 HB THR 15 4.209 3.376 9.983 116 HG1 THR 15 HG1 THR 15 4.360 2.494 12.398 117 HG21 THR 15 3HG2 THR 15 2.387 2.105 8.887 118 HG22 THR 15 1HG2 THR 15 1.756 3.272 10.049 119 HG23 THR 15 2HG2 THR 15 1.815 1.559 10.467 120 H GLN 16 H GLN 16 6.425 1.784 8.702 121 HA GLN 16 HA GLN 16 8.476 2.562 10.681 122 HB2 GLN 16 2HB GLN 16 9.050 0.411 9.529 123 HB3 GLN 16 3HB GLN 16 8.884 1.206 7.968 124 HG2 GLN 16 2HG GLN 16 11.232 0.981 8.546 125 HG3 GLN 16 3HG GLN 16 10.785 2.685 8.528 126 HE21 GLN 16 1HE2 GLN 16 11.633 -0.027 10.555 127 HE22 GLN 16 2HE2 GLN 16 11.996 0.891 11.972 128 H ASP 17 H ASP 17 9.117 4.625 10.415 129 HA ASP 17 HA ASP 17 7.927 6.281 8.377 130 HB2 ASP 17 2HB ASP 17 9.927 6.957 10.582 131 HB3 ASP 17 3HB ASP 17 9.152 8.144 9.531 132 H THR 18 H THR 18 9.197 7.745 7.053 133 HA THR 18 HA THR 18 11.664 6.550 5.938 134 HB THR 18 HB THR 18 10.671 7.035 3.629 135 HG1 THR 18 HG1 THR 18 8.763 7.955 3.528 136 HG21 THR 18 3HG2 THR 18 10.653 4.715 4.458 137 HG22 THR 18 1HG2 THR 18 9.178 5.046 3.548 138 HG23 THR 18 2HG2 THR 18 9.137 5.013 5.311 139 HA PRO 19 HA PRO 19 13.170 10.777 5.955 140 HB2 PRO 19 2HB PRO 19 14.489 11.004 3.513 141 HB3 PRO 19 3HB PRO 19 15.145 10.143 4.919 142 HG2 PRO 19 2HG PRO 19 13.702 9.018 2.538 143 HG3 PRO 19 3HG PRO 19 15.173 8.423 3.345 144 HD2 PRO 19 2HD PRO 19 12.797 7.273 3.822 145 HD3 PRO 19 3HD PRO 19 13.978 7.490 5.132 146 H ASN 20 H ASN 20 11.213 9.755 3.257 147 HA ASN 20 HA ASN 20 10.398 12.499 2.578 148 HB2 ASN 20 2HB ASN 20 9.705 9.815 1.301 149 HB3 ASN 20 3HB ASN 20 9.102 11.377 0.743 150 HD21 ASN 20 1HD2 ASN 20 10.071 11.128 -1.281 151 HD22 ASN 20 2HD2 ASN 20 11.777 11.240 -1.516 152 HA PRO 21 HA PRO 21 6.984 11.730 5.593 153 HB2 PRO 21 2HB PRO 21 6.006 14.313 5.605 154 HB3 PRO 21 3HB PRO 21 7.437 13.813 6.527 155 HG2 PRO 21 2HG PRO 21 7.320 15.163 3.843 156 HG3 PRO 21 3HG PRO 21 8.341 15.547 5.251 157 HD2 PRO 21 2HD PRO 21 9.313 14.132 3.172 158 HD3 PRO 21 3HD PRO 21 9.807 13.773 4.844 159 H ASN 22 H ASN 22 6.769 12.870 2.288 160 HA ASN 22 HA ASN 22 3.957 12.729 1.911 161 HB2 ASN 22 2HB ASN 22 6.355 12.676 0.089 162 HB3 ASN 22 3HB ASN 22 4.858 12.048 -0.582 163 HD21 ASN 22 1HD2 ASN 22 6.505 14.532 -1.091 164 HD22 ASN 22 2HD2 ASN 22 5.347 15.814 -1.035 165 H SER 23 H SER 23 6.314 10.261 2.367 166 HA SER 23 HA SER 23 4.360 8.180 1.562 167 HB2 SER 23 2HB SER 23 6.252 8.432 -0.081 168 HB3 SER 23 3HB SER 23 7.388 8.008 1.205 169 HG SER 23 HG SER 23 5.361 6.422 0.018 170 H LEU 24 H LEU 24 4.355 6.313 2.802 171 HA LEU 24 HA LEU 24 6.047 6.124 5.220 172 HB2 LEU 24 2HB LEU 24 3.863 7.208 5.825 173 HB3 LEU 24 3HB LEU 24 3.014 5.810 5.195 174 HG LEU 24 HG LEU 24 4.122 4.398 6.980 175 HD11 LEU 24 1HD1 LEU 24 5.172 5.505 8.908 176 HD12 LEU 24 2HD1 LEU 24 5.082 7.059 8.077 177 HD13 LEU 24 3HD1 LEU 24 6.097 5.768 7.429 178 HD21 LEU 24 3HD2 LEU 24 1.840 5.235 7.270 179 HD22 LEU 24 1HD2 LEU 24 2.457 6.724 7.992 180 HD23 LEU 24 2HD2 LEU 24 2.689 5.176 8.811 181 H LYS 25 H LYS 25 6.538 4.005 5.793 182 HA LYS 25 HA LYS 25 5.946 1.973 3.743 183 HB2 LYS 25 2HB LYS 25 8.318 2.657 4.239 184 HB3 LYS 25 3HB LYS 25 8.122 2.069 5.886 185 HG2 LYS 25 2HG LYS 25 7.851 -0.219 5.081 186 HG3 LYS 25 3HG LYS 25 7.894 0.337 3.402 187 HD2 LYS 25 2HD LYS 25 10.230 1.206 3.819 188 HD3 LYS 25 3HD LYS 25 10.165 0.479 5.427 189 HE2 LYS 25 2HE LYS 25 9.844 -1.749 4.361 190 HE3 LYS 25 3HE LYS 25 10.009 -0.988 2.777 191 HZ1 LYS 25 3HZ LYS 25 12.248 -0.261 3.471 192 HZ2 LYS 25 1HZ LYS 25 12.081 -1.939 3.419 193 HZ3 LYS 25 2HZ LYS 25 12.074 -1.137 4.903 194 H PHE 26 H PHE 26 4.582 0.338 4.261 195 HA PHE 26 HA PHE 26 3.818 -0.154 7.093 196 HB2 PHE 26 2HB PHE 26 2.288 -0.731 4.500 197 HB3 PHE 26 3HB PHE 26 1.714 -1.121 6.118 198 HD1 PHE 26 HD2 PHE 26 2.491 1.700 3.798 199 HD2 PHE 26 HD1 PHE 26 0.658 0.563 7.500 200 HE1 PHE 26 HE2 PHE 26 1.436 3.921 3.968 201 HE2 PHE 26 HE1 PHE 26 -0.388 2.789 7.654 202 HZ PHE 26 HZ PHE 26 0.000 4.464 5.893 203 H ILE 27 H ILE 27 4.911 -1.935 7.857 204 HA ILE 27 HA ILE 27 5.626 -4.153 6.099 205 HB ILE 27 HB ILE 27 6.274 -3.679 9.048 206 HG12 ILE 27 2HG1 ILE 27 8.694 -3.532 8.176 207 HG13 ILE 27 3HG1 ILE 27 8.020 -3.416 6.556 208 HG21 ILE 27 1HG2 ILE 27 7.229 -5.953 7.264 209 HG22 ILE 27 2HG2 ILE 27 6.099 -6.097 8.610 210 HG23 ILE 27 3HG2 ILE 27 7.774 -5.643 8.915 211 HD11 ILE 27 3HD1 ILE 27 6.904 -1.328 7.184 212 HD12 ILE 27 1HD1 ILE 27 8.647 -1.242 7.441 213 HD13 ILE 27 2HD1 ILE 27 7.564 -1.467 8.815 214 HA PRO 28 HA PRO 28 1.656 -5.948 7.637 215 HB2 PRO 28 2HB PRO 28 1.242 -7.681 5.610 216 HB3 PRO 28 3HB PRO 28 1.040 -5.933 5.368 217 HG2 PRO 28 2HG PRO 28 3.400 -7.669 4.671 218 HG3 PRO 28 3HG PRO 28 2.567 -6.455 3.668 219 HD2 PRO 28 2HD PRO 28 4.862 -5.900 5.036 220 HD3 PRO 28 3HD PRO 28 3.620 -4.674 4.707 221 H GLY 29 H GLY 29 4.752 -7.221 7.532 222 HA2 GLY 29 2HA GLY 29 5.739 -8.871 8.783 223 HA3 GLY 29 3HA GLY 29 4.159 -9.306 9.413 224 H LYS 30 H LYS 30 4.260 -9.281 6.006 225 HA LYS 30 HA LYS 30 4.843 -12.172 5.802 226 HB2 LYS 30 2HB LYS 30 2.469 -10.681 4.572 227 HB3 LYS 30 3HB LYS 30 2.941 -12.320 4.123 228 HG2 LYS 30 2HG LYS 30 2.527 -13.058 6.463 229 HG3 LYS 30 3HG LYS 30 1.994 -11.421 6.862 230 HD2 LYS 30 2HD LYS 30 0.141 -11.607 5.249 231 HD3 LYS 30 3HD LYS 30 0.689 -13.220 4.779 232 HE2 LYS 30 2HE LYS 30 -0.325 -12.414 7.524 233 HE3 LYS 30 3HE LYS 30 -1.213 -13.344 6.319 234 HZ1 LYS 30 3HZ LYS 30 1.314 -14.203 7.607 235 HZ2 LYS 30 1HZ LYS 30 0.414 -15.096 6.496 236 HZ3 LYS 30 2HZ LYS 30 -0.226 -14.753 8.020 237 HA PRO 31 HA PRO 31 7.309 -10.678 2.297 238 HB2 PRO 31 2HB PRO 31 7.306 -13.451 1.214 239 HB3 PRO 31 3HB PRO 31 8.661 -12.499 1.852 240 HG2 PRO 31 2HG PRO 31 7.670 -14.638 3.176 241 HG3 PRO 31 3HG PRO 31 8.352 -13.229 4.025 242 HD2 PRO 31 2HD PRO 31 5.449 -13.912 3.531 243 HD3 PRO 31 3HD PRO 31 6.228 -13.303 5.011 244 H VAL 32 H VAL 32 5.339 -9.536 1.627 245 HA VAL 32 HA VAL 32 3.339 -10.621 -0.037 246 HB VAL 32 HB VAL 32 2.755 -8.258 -0.623 247 HG11 VAL 32 1HG1 VAL 32 2.151 -7.528 1.655 248 HG12 VAL 32 2HG1 VAL 32 3.281 -8.697 2.342 249 HG13 VAL 32 3HG1 VAL 32 1.868 -9.258 1.443 250 HG21 VAL 32 3HG2 VAL 32 5.210 -7.494 1.014 251 HG22 VAL 32 1HG2 VAL 32 4.004 -6.372 0.375 252 HG23 VAL 32 2HG2 VAL 32 5.025 -7.292 -0.730 253 H LEU 33 H LEU 33 6.518 -9.311 -0.758 254 HA LEU 33 HA LEU 33 6.384 -10.514 -3.413 255 HB2 LEU 33 2HB LEU 33 6.996 -7.599 -2.900 256 HB3 LEU 33 3HB LEU 33 7.749 -8.424 -4.247 257 HG LEU 33 HG LEU 33 4.780 -7.923 -3.865 258 HD11 LEU 33 1HD1 LEU 33 5.002 -6.590 -5.905 259 HD12 LEU 33 2HD1 LEU 33 6.729 -6.953 -5.983 260 HD13 LEU 33 3HD1 LEU 33 6.083 -5.993 -4.648 261 HD21 LEU 33 3HD2 LEU 33 6.163 -9.519 -6.051 262 HD22 LEU 33 1HD2 LEU 33 4.466 -9.030 -6.061 263 HD23 LEU 33 2HD2 LEU 33 5.050 -10.148 -4.834 264 H GLU 34 H GLU 34 7.639 -12.063 -2.068 265 HA GLU 34 HA GLU 34 10.425 -11.460 -1.579 266 HB2 GLU 34 2HB GLU 34 10.679 -13.910 -1.250 267 HB3 GLU 34 3HB GLU 34 9.391 -13.224 -0.269 268 HG2 GLU 34 2HG GLU 34 7.702 -14.119 -1.788 269 HG3 GLU 34 3HG GLU 34 8.954 -14.730 -2.867 270 H THR 35 H THR 35 8.520 -12.279 -4.296 271 HA THR 35 HA THR 35 10.478 -13.505 -5.964 272 HB THR 35 HB THR 35 8.814 -12.955 -7.812 273 HG1 THR 35 HG1 THR 35 7.033 -11.792 -7.350 274 HG21 THR 35 3HG2 THR 35 7.031 -14.456 -6.987 275 HG22 THR 35 1HG2 THR 35 7.649 -14.298 -5.340 276 HG23 THR 35 2HG2 THR 35 8.626 -15.090 -6.580 277 H ARG 36 H ARG 36 9.067 -10.185 -6.037 278 HA ARG 36 HA ARG 36 11.543 -9.045 -7.105 279 HB2 ARG 36 2HB ARG 36 10.428 -8.112 -9.120 280 HB3 ARG 36 3HB ARG 36 10.419 -9.871 -9.150 281 HG2 ARG 36 2HG ARG 36 8.060 -9.926 -8.522 282 HG3 ARG 36 3HG ARG 36 8.042 -8.175 -8.293 283 HD2 ARG 36 2HD ARG 36 8.421 -9.648 -10.928 284 HD3 ARG 36 3HD ARG 36 7.001 -8.725 -10.425 285 HE ARG 36 HE ARG 36 9.623 -7.391 -10.682 286 HH11 ARG 36 1HH1 ARG 36 6.299 -7.643 -11.860 287 HH12 ARG 36 2HH1 ARG 36 6.414 -6.179 -12.780 288 HH21 ARG 36 1HH2 ARG 36 9.695 -5.457 -11.831 289 HH22 ARG 36 2HH2 ARG 36 8.319 -4.952 -12.762 290 H THR 37 H THR 37 10.922 -6.575 -7.726 291 HA THR 37 HA THR 37 9.096 -5.438 -5.679 292 HB THR 37 HB THR 37 10.240 -3.227 -6.331 293 HG1 THR 37 HG1 THR 37 12.485 -3.851 -7.248 294 HG21 THR 37 3HG2 THR 37 12.055 -5.378 -5.181 295 HG22 THR 37 1HG2 THR 37 10.884 -4.426 -4.265 296 HG23 THR 37 2HG2 THR 37 12.275 -3.636 -5.011 297 H MET 38 H MET 38 7.414 -4.019 -6.378 298 HA MET 38 HA MET 38 6.900 -3.709 -9.259 299 HB2 MET 38 2HB MET 38 4.941 -5.041 -7.327 300 HB3 MET 38 3HB MET 38 4.507 -4.476 -8.934 301 HG2 MET 38 2HG MET 38 5.904 -6.118 -9.977 302 HG3 MET 38 3HG MET 38 6.647 -6.546 -8.438 303 HE1 MET 38 3HE MET 38 3.389 -6.719 -10.611 304 HE2 MET 38 1HE MET 38 2.798 -5.928 -9.150 305 HE3 MET 38 2HE MET 38 2.289 -7.570 -9.530 306 H ASP 39 H ASP 39 6.895 -1.598 -9.329 307 HA ASP 39 HA ASP 39 5.628 0.066 -7.261 308 HB2 ASP 39 2HB ASP 39 6.775 1.961 -8.337 309 HB3 ASP 39 3HB ASP 39 7.919 0.681 -7.961 310 H PHE 40 H PHE 40 3.886 1.322 -7.642 311 HA PHE 40 HA PHE 40 2.530 1.222 -10.275 312 HB2 PHE 40 2HB PHE 40 1.100 1.139 -7.577 313 HB3 PHE 40 3HB PHE 40 0.392 0.904 -9.177 314 HD1 PHE 40 HD2 PHE 40 1.437 -1.108 -10.577 315 HD2 PHE 40 HD1 PHE 40 1.626 -0.788 -6.316 316 HE1 PHE 40 HE2 PHE 40 1.829 -3.524 -10.403 317 HE2 PHE 40 HE1 PHE 40 2.028 -3.210 -6.168 318 HZ PHE 40 HZ PHE 40 2.120 -4.576 -8.201 319 HA PRO 41 HA PRO 41 3.110 5.695 -9.186 320 HB2 PRO 41 2HB PRO 41 3.048 6.585 -11.810 321 HB3 PRO 41 3HB PRO 41 4.517 6.006 -11.001 322 HG2 PRO 41 2HG PRO 41 2.698 4.519 -12.871 323 HG3 PRO 41 3HG PRO 41 4.476 4.560 -12.830 324 HD2 PRO 41 2HD PRO 41 3.090 2.486 -11.787 325 HD3 PRO 41 3HD PRO 41 4.604 3.055 -11.045 326 H THR 42 H THR 42 0.774 4.175 -11.397 327 HA THR 42 HA THR 42 -1.275 6.220 -10.721 328 HB THR 42 HB THR 42 -2.281 5.757 -12.969 329 HG1 THR 42 HG1 THR 42 -0.099 4.594 -14.105 330 HG21 THR 42 3HG2 THR 42 -0.708 7.665 -12.764 331 HG22 THR 42 1HG2 THR 42 -0.618 6.918 -14.362 332 HG23 THR 42 2HG2 THR 42 0.638 6.594 -13.167 333 HA PRO 43 HA PRO 43 -4.063 2.794 -9.463 334 HB2 PRO 43 2HB PRO 43 -6.152 4.221 -11.108 335 HB3 PRO 43 3HB PRO 43 -6.215 3.687 -9.414 336 HG2 PRO 43 2HG PRO 43 -5.924 6.268 -10.013 337 HG3 PRO 43 3HG PRO 43 -5.070 5.548 -8.628 338 HD2 PRO 43 2HD PRO 43 -3.989 6.280 -11.338 339 HD3 PRO 43 3HD PRO 43 -3.224 6.415 -9.738 340 H ALA 44 H ALA 44 -3.897 3.940 -12.806 341 HA ALA 44 HA ALA 44 -4.974 1.736 -14.177 342 HB1 ALA 44 3HB ALA 44 -4.512 3.910 -15.241 343 HB2 ALA 44 1HB ALA 44 -3.749 2.593 -16.131 344 HB3 ALA 44 2HB ALA 44 -2.776 3.631 -15.084 345 H ALA 45 H ALA 45 -1.576 2.476 -13.328 346 HA ALA 45 HA ALA 45 -0.367 0.106 -14.225 347 HB1 ALA 45 3HB ALA 45 0.531 1.964 -11.995 348 HB2 ALA 45 1HB ALA 45 0.868 2.172 -13.714 349 HB3 ALA 45 2HB ALA 45 1.550 0.796 -12.847 350 H ALA 46 H ALA 46 -2.168 0.751 -11.310 351 HA ALA 46 HA ALA 46 -1.125 -1.246 -9.602 352 HB1 ALA 46 3HB ALA 46 -2.372 0.713 -8.820 353 HB2 ALA 46 1HB ALA 46 -3.071 -0.784 -8.201 354 HB3 ALA 46 2HB ALA 46 -3.850 0.071 -9.538 355 H PHE 47 H PHE 47 -2.956 -1.736 -12.397 356 HA PHE 47 HA PHE 47 -4.803 -3.726 -11.719 357 HB2 PHE 47 2HB PHE 47 -4.989 -4.199 -14.058 358 HB3 PHE 47 3HB PHE 47 -4.626 -2.490 -13.929 359 HD1 PHE 47 HD1 PHE 47 -1.918 -1.994 -14.003 360 HD2 PHE 47 HD2 PHE 47 -3.896 -5.330 -15.793 361 HE1 PHE 47 HE1 PHE 47 -0.072 -2.223 -15.612 362 HE2 PHE 47 HE2 PHE 47 -2.043 -5.556 -17.398 363 HZ PHE 47 HZ PHE 47 -0.137 -4.001 -17.312 364 H ARG 48 H ARG 48 -1.379 -3.982 -11.824 365 HA ARG 48 HA ARG 48 -1.059 -6.770 -12.352 366 HB2 ARG 48 2HB ARG 48 0.779 -4.965 -10.734 367 HB3 ARG 48 3HB ARG 48 1.225 -6.454 -11.557 368 HG2 ARG 48 2HG ARG 48 0.244 -3.980 -12.995 369 HG3 ARG 48 3HG ARG 48 1.945 -4.306 -12.677 370 HD2 ARG 48 2HD ARG 48 0.276 -6.352 -14.133 371 HD3 ARG 48 3HD ARG 48 0.901 -4.947 -14.993 372 HE ARG 48 HE ARG 48 2.640 -6.863 -13.549 373 HH11 ARG 48 1HH1 ARG 48 1.957 -4.933 -16.414 374 HH12 ARG 48 2HH1 ARG 48 3.434 -5.372 -17.205 375 HH21 ARG 48 1HH2 ARG 48 4.582 -7.411 -14.611 376 HH22 ARG 48 2HH2 ARG 48 4.915 -6.767 -16.192 377 H SER 49 H SER 49 -1.546 -4.879 -9.406 378 HA SER 49 HA SER 49 -1.728 -7.333 -7.751 379 HB2 SER 49 2HB SER 49 0.248 -6.107 -7.054 380 HB3 SER 49 3HB SER 49 -0.634 -4.580 -7.021 381 HG SER 49 HG SER 49 -0.666 -6.718 -5.209 382 HA PRO 50 HA PRO 50 -6.063 -5.803 -7.447 383 HB2 PRO 50 2HB PRO 50 -6.167 -8.062 -5.449 384 HB3 PRO 50 3HB PRO 50 -7.266 -7.684 -6.796 385 HG2 PRO 50 2HG PRO 50 -5.546 -9.685 -7.020 386 HG3 PRO 50 3HG PRO 50 -5.853 -8.605 -8.399 387 HD2 PRO 50 2HD PRO 50 -3.496 -8.643 -6.519 388 HD3 PRO 50 3HD PRO 50 -3.530 -8.415 -8.285 389 H LEU 51 H LEU 51 -3.877 -6.507 -4.707 390 HA LEU 51 HA LEU 51 -5.371 -5.041 -2.761 391 HB2 LEU 51 2HB LEU 51 -3.747 -6.752 -2.077 392 HB3 LEU 51 3HB LEU 51 -2.428 -5.815 -2.760 393 HG LEU 51 HG LEU 51 -2.727 -4.057 -1.054 394 HD11 LEU 51 1HD1 LEU 51 -4.339 -4.262 0.789 395 HD12 LEU 51 2HD1 LEU 51 -5.035 -5.696 0.034 396 HD13 LEU 51 3HD1 LEU 51 -5.152 -4.130 -0.769 397 HD21 LEU 51 3HD2 LEU 51 -1.265 -5.943 -0.471 398 HD22 LEU 51 1HD2 LEU 51 -2.634 -6.804 0.240 399 HD23 LEU 51 2HD2 LEU 51 -2.063 -5.293 0.959 400 H ALA 52 H ALA 52 -2.782 -4.217 -5.054 401 HA ALA 52 HA ALA 52 -2.239 -1.579 -4.167 402 HB1 ALA 52 3HB ALA 52 -0.823 -2.741 -5.807 403 HB2 ALA 52 1HB ALA 52 -1.349 -1.175 -6.422 404 HB3 ALA 52 2HB ALA 52 -2.118 -2.657 -7.002 405 H ARG 53 H ARG 53 -4.581 -2.855 -6.542 406 HA ARG 53 HA ARG 53 -5.917 -0.517 -7.267 407 HB2 ARG 53 2HB ARG 53 -6.850 -3.400 -7.012 408 HB3 ARG 53 3HB ARG 53 -7.946 -2.142 -7.562 409 HG2 ARG 53 2HG ARG 53 -5.350 -2.916 -8.931 410 HG3 ARG 53 3HG ARG 53 -6.967 -3.422 -9.424 411 HD2 ARG 53 2HD ARG 53 -5.804 -0.619 -9.486 412 HD3 ARG 53 3HD ARG 53 -6.366 -1.599 -10.847 413 HE ARG 53 HE ARG 53 -8.597 -1.368 -9.341 414 HH11 ARG 53 1HH1 ARG 53 -6.407 1.032 -10.650 415 HH12 ARG 53 2HH1 ARG 53 -7.624 2.267 -10.748 416 HH21 ARG 53 1HH2 ARG 53 -10.150 0.305 -9.350 417 HH22 ARG 53 2HH2 ARG 53 -9.731 1.856 -10.013 418 H GLN 54 H GLN 54 -6.418 -2.624 -4.444 419 HA GLN 54 HA GLN 54 -8.743 -1.246 -3.489 420 HB2 GLN 54 2HB GLN 54 -6.947 -3.270 -2.104 421 HB3 GLN 54 3HB GLN 54 -8.453 -2.655 -1.430 422 HG2 GLN 54 2HG GLN 54 -9.623 -3.558 -3.489 423 HG3 GLN 54 3HG GLN 54 -8.110 -4.359 -3.904 424 HE21 GLN 54 1HE2 GLN 54 -10.661 -5.590 -3.355 425 HE22 GLN 54 2HE2 GLN 54 -10.431 -6.632 -1.995 426 H LEU 55 H LEU 55 -5.324 -0.846 -2.960 427 HA LEU 55 HA LEU 55 -5.577 1.019 -0.769 428 HB2 LEU 55 2HB LEU 55 -3.233 0.391 -2.611 429 HB3 LEU 55 3HB LEU 55 -3.131 1.476 -1.232 430 HG LEU 55 HG LEU 55 -3.771 -1.504 -1.076 431 HD11 LEU 55 1HD1 LEU 55 -1.429 -1.105 -1.683 432 HD12 LEU 55 2HD1 LEU 55 -1.568 -1.784 -0.063 433 HD13 LEU 55 3HD1 LEU 55 -1.227 -0.063 -0.271 434 HD21 LEU 55 3HD2 LEU 55 -3.568 -1.263 1.365 435 HD22 LEU 55 1HD2 LEU 55 -4.891 -0.286 0.731 436 HD23 LEU 55 2HD2 LEU 55 -3.368 0.481 1.188 437 H PHE 56 H PHE 56 -5.379 1.272 -4.292 438 HA PHE 56 HA PHE 56 -5.225 4.152 -4.393 439 HB2 PHE 56 2HB PHE 56 -5.588 1.962 -6.445 440 HB3 PHE 56 3HB PHE 56 -5.954 3.620 -6.908 441 HD1 PHE 56 HD1 PHE 56 -4.125 5.391 -6.639 442 HD2 PHE 56 HD2 PHE 56 -3.307 1.206 -6.446 443 HE1 PHE 56 HE1 PHE 56 -1.758 5.815 -7.143 444 HE2 PHE 56 HE2 PHE 56 -0.945 1.642 -6.948 445 HZ PHE 56 HZ PHE 56 -0.175 3.945 -7.298 446 H ARG 57 H ARG 57 -7.780 2.031 -3.702 447 HA ARG 57 HA ARG 57 -10.059 3.468 -4.467 448 HB2 ARG 57 2HB ARG 57 -9.426 1.796 -2.013 449 HB3 ARG 57 3HB ARG 57 -10.996 2.568 -2.195 450 HG2 ARG 57 2HG ARG 57 -11.525 1.256 -4.134 451 HG3 ARG 57 3HG ARG 57 -9.878 0.615 -4.228 452 HD2 ARG 57 2HD ARG 57 -11.578 -0.977 -3.234 453 HD3 ARG 57 3HD ARG 57 -10.169 -0.677 -2.223 454 HE ARG 57 HE ARG 57 -12.903 0.360 -1.762 455 HH11 ARG 57 1HH1 ARG 57 -9.663 -0.238 -0.494 456 HH12 ARG 57 2HH1 ARG 57 -10.112 0.105 1.146 457 HH21 ARG 57 1HH2 ARG 57 -13.480 0.775 0.393 458 HH22 ARG 57 2HH2 ARG 57 -12.284 0.683 1.649 459 H ILE 58 H ILE 58 -7.591 4.256 -2.104 460 HA ILE 58 HA ILE 58 -9.246 5.948 -0.437 461 HB ILE 58 HB ILE 58 -6.233 5.454 -0.430 462 HG12 ILE 58 2HG1 ILE 58 -8.404 4.190 1.299 463 HG13 ILE 58 3HG1 ILE 58 -7.581 3.393 -0.036 464 HG21 ILE 58 1HG2 ILE 58 -6.260 6.360 1.886 465 HG22 ILE 58 2HG2 ILE 58 -7.965 6.772 1.694 466 HG23 ILE 58 3HG2 ILE 58 -6.749 7.570 0.697 467 HD11 ILE 58 3HD1 ILE 58 -6.710 2.672 2.090 468 HD12 ILE 58 1HD1 ILE 58 -6.299 4.332 2.522 469 HD13 ILE 58 2HD1 ILE 58 -5.472 3.536 1.179 470 H GLU 59 H GLU 59 -9.433 8.052 -0.646 471 HA GLU 59 HA GLU 59 -8.949 9.522 -2.911 472 HB2 GLU 59 2HB GLU 59 -9.648 11.481 -1.516 473 HB3 GLU 59 3HB GLU 59 -10.694 10.079 -1.320 474 HG2 GLU 59 2HG GLU 59 -9.475 9.498 0.779 475 HG3 GLU 59 3HG GLU 59 -8.510 10.960 0.595 476 H GLY 60 H GLY 60 -6.911 9.119 -0.200 477 HA2 GLY 60 2HA GLY 60 -5.287 11.483 -0.688 478 HA3 GLY 60 3HA GLY 60 -5.128 10.357 0.646 479 H VAL 61 H VAL 61 -5.202 8.313 -1.894 480 HA VAL 61 HA VAL 61 -2.309 7.973 -1.687 481 HB VAL 61 HB VAL 61 -4.479 6.174 -2.848 482 HG11 VAL 61 1HG1 VAL 61 -2.745 4.428 -3.109 483 HG12 VAL 61 2HG1 VAL 61 -1.495 5.589 -2.653 484 HG13 VAL 61 3HG1 VAL 61 -2.408 5.816 -4.146 485 HG21 VAL 61 3HG2 VAL 61 -2.735 5.901 -0.366 486 HG22 VAL 61 1HG2 VAL 61 -3.945 4.735 -0.911 487 HG23 VAL 61 2HG2 VAL 61 -4.444 6.342 -0.383 488 H LYS 62 H LYS 62 -0.981 8.794 -3.084 489 HA LYS 62 HA LYS 62 -1.667 9.686 -5.764 490 HB2 LYS 62 2HB LYS 62 -0.119 10.949 -4.229 491 HB3 LYS 62 3HB LYS 62 1.022 9.616 -4.311 492 HG2 LYS 62 2HG LYS 62 1.810 11.340 -5.767 493 HG3 LYS 62 3HG LYS 62 1.213 10.033 -6.794 494 HD2 LYS 62 2HD LYS 62 -0.890 11.287 -7.169 495 HD3 LYS 62 3HD LYS 62 -0.313 12.582 -6.114 496 HE2 LYS 62 2HE LYS 62 1.567 12.997 -7.692 497 HE3 LYS 62 3HE LYS 62 0.939 11.731 -8.750 498 HZ1 LYS 62 3HZ LYS 62 0.255 13.907 -9.492 499 HZ2 LYS 62 1HZ LYS 62 -0.481 14.229 -8.006 500 HZ3 LYS 62 2HZ LYS 62 -1.093 13.016 -9.012 501 H SER 63 H SER 63 0.360 7.207 -4.223 502 HA SER 63 HA SER 63 0.508 5.507 -6.503 503 HB2 SER 63 2HB SER 63 3.055 5.759 -6.780 504 HB3 SER 63 3HB SER 63 2.077 7.085 -7.413 505 HG SER 63 HG SER 63 2.594 8.308 -5.635 506 H VAL 64 H VAL 64 1.274 3.454 -5.941 507 HA VAL 64 HA VAL 64 2.157 3.078 -3.119 508 HB VAL 64 HB VAL 64 0.373 1.149 -4.702 509 HG11 VAL 64 1HG1 VAL 64 1.252 1.058 -1.787 510 HG12 VAL 64 2HG1 VAL 64 1.829 -0.001 -3.078 511 HG13 VAL 64 3HG1 VAL 64 0.141 -0.070 -2.573 512 HG21 VAL 64 3HG2 VAL 64 -0.907 3.154 -4.092 513 HG22 VAL 64 1HG2 VAL 64 -0.406 2.988 -2.406 514 HG23 VAL 64 2HG2 VAL 64 -1.444 1.765 -3.147 515 H PHE 65 H PHE 65 3.747 1.554 -2.785 516 HA PHE 65 HA PHE 65 4.990 0.220 -5.113 517 HB2 PHE 65 2HB PHE 65 6.472 2.051 -4.517 518 HB3 PHE 65 3HB PHE 65 6.328 1.704 -2.796 519 HD1 PHE 65 HD2 PHE 65 7.529 0.119 -5.993 520 HD2 PHE 65 HD1 PHE 65 8.031 0.427 -1.753 521 HE1 PHE 65 HE2 PHE 65 9.531 -1.306 -6.119 522 HE2 PHE 65 HE1 PHE 65 10.030 -1.006 -1.891 523 HZ PHE 65 HZ PHE 65 10.778 -1.867 -4.071 524 H PHE 66 H PHE 66 4.836 -1.927 -4.825 525 HA PHE 66 HA PHE 66 4.787 -3.110 -2.119 526 HB2 PHE 66 2HB PHE 66 4.148 -4.214 -4.884 527 HB3 PHE 66 3HB PHE 66 4.407 -5.279 -3.511 528 HD1 PHE 66 HD2 PHE 66 2.422 -2.125 -4.124 529 HD2 PHE 66 HD1 PHE 66 2.438 -6.137 -2.645 530 HE1 PHE 66 HE2 PHE 66 0.048 -1.930 -3.539 531 HE2 PHE 66 HE1 PHE 66 0.057 -5.924 -2.066 532 HZ PHE 66 HZ PHE 66 -1.138 -3.819 -2.514 533 H GLY 67 H GLY 67 6.457 -4.218 -1.344 534 HA2 GLY 67 2HA GLY 67 8.732 -5.064 -3.007 535 HA3 GLY 67 3HA GLY 67 9.025 -3.938 -1.680 536 HA PRO 68 HA PRO 68 9.309 -8.551 -0.270 537 HB2 PRO 68 2HB PRO 68 11.916 -7.419 0.775 538 HB3 PRO 68 3HB PRO 68 11.577 -9.017 0.071 539 HG2 PRO 68 2HG PRO 68 12.837 -7.193 -1.388 540 HG3 PRO 68 3HG PRO 68 11.583 -8.216 -2.131 541 HD2 PRO 68 2HD PRO 68 11.385 -5.338 -1.252 542 HD3 PRO 68 3HD PRO 68 10.711 -6.135 -2.694 543 H ASP 69 H ASP 69 7.853 -8.561 1.329 544 HA ASP 69 HA ASP 69 6.995 -8.642 3.412 545 HB2 ASP 69 2HB ASP 69 9.771 -7.750 4.293 546 HB3 ASP 69 3HB ASP 69 8.496 -8.230 5.406 547 H SER 70 H SER 70 7.121 -5.975 1.817 548 HA SER 70 HA SER 70 5.872 -4.327 3.846 549 HB2 SER 70 2HB SER 70 7.513 -2.415 3.509 550 HB3 SER 70 3HB SER 70 8.172 -3.804 4.377 551 HG SER 70 HG SER 70 9.089 -4.494 2.363 552 H ILE 71 H ILE 71 4.726 -2.618 3.020 553 HA ILE 71 HA ILE 71 4.550 -2.212 0.099 554 HB ILE 71 HB ILE 71 2.203 -2.259 2.082 555 HG12 ILE 71 2HG1 ILE 71 2.821 -4.329 -0.081 556 HG13 ILE 71 3HG1 ILE 71 3.188 -4.554 1.625 557 HG21 ILE 71 1HG2 ILE 71 1.840 -0.701 0.212 558 HG22 ILE 71 2HG2 ILE 71 0.770 -2.096 0.067 559 HG23 ILE 71 3HG2 ILE 71 2.205 -1.981 -0.950 560 HD11 ILE 71 3HD1 ILE 71 1.174 -5.715 1.018 561 HD12 ILE 71 1HD1 ILE 71 0.442 -4.221 0.429 562 HD13 ILE 71 2HD1 ILE 71 0.803 -4.413 2.148 563 H THR 72 H THR 72 5.455 -0.167 -0.084 564 HA THR 72 HA THR 72 5.060 1.841 2.013 565 HB THR 72 HB THR 72 6.802 1.930 -0.500 566 HG1 THR 72 HG1 THR 72 7.234 0.257 1.215 567 HG21 THR 72 3HG2 THR 72 8.036 3.710 0.707 568 HG22 THR 72 1HG2 THR 72 6.871 3.631 2.029 569 HG23 THR 72 2HG2 THR 72 6.357 4.175 0.429 570 H VAL 73 H VAL 73 3.441 3.341 1.759 571 HA VAL 73 HA VAL 73 2.128 3.667 -0.889 572 HB VAL 73 HB VAL 73 0.945 4.167 1.902 573 HG11 VAL 73 1HG1 VAL 73 -1.222 4.396 0.746 574 HG12 VAL 73 2HG1 VAL 73 -0.427 4.185 -0.816 575 HG13 VAL 73 3HG1 VAL 73 -0.071 5.605 0.169 576 HG21 VAL 73 3HG2 VAL 73 1.297 1.753 1.531 577 HG22 VAL 73 1HG2 VAL 73 0.411 1.844 0.005 578 HG23 VAL 73 2HG2 VAL 73 -0.425 2.141 1.533 579 H THR 74 H THR 74 1.745 5.810 -1.605 580 HA THR 74 HA THR 74 3.103 8.020 -0.146 581 HB THR 74 HB THR 74 2.890 7.639 -3.179 582 HG1 THR 74 HG1 THR 74 4.537 6.367 -2.821 583 HG21 THR 74 3HG2 THR 74 4.482 9.699 -1.596 584 HG22 THR 74 1HG2 THR 74 2.997 10.037 -2.493 585 HG23 THR 74 2HG2 THR 74 4.450 9.526 -3.353 586 H LYS 75 H LYS 75 2.067 10.061 -0.207 587 HA LYS 75 HA LYS 75 -0.849 10.000 -0.668 588 HB2 LYS 75 2HB LYS 75 -0.998 11.859 0.889 589 HB3 LYS 75 3HB LYS 75 0.050 10.644 1.612 590 HG2 LYS 75 2HG LYS 75 2.039 11.984 0.822 591 HG3 LYS 75 3HG LYS 75 0.915 13.226 0.275 592 HD2 LYS 75 2HD LYS 75 1.889 13.808 2.453 593 HD3 LYS 75 3HD LYS 75 0.145 13.588 2.579 594 HE2 LYS 75 2HE LYS 75 0.430 11.441 3.636 595 HE3 LYS 75 3HE LYS 75 2.164 11.448 3.314 596 HZ1 LYS 75 3HZ LYS 75 2.450 13.245 4.837 597 HZ2 LYS 75 1HZ LYS 75 1.586 12.025 5.621 598 HZ3 LYS 75 2HZ LYS 75 0.791 13.405 5.071 599 H GLU 76 H GLU 76 -1.869 11.959 -1.534 600 HA GLU 76 HA GLU 76 -0.998 12.753 -4.045 601 HB2 GLU 76 2HB GLU 76 -2.984 13.995 -2.115 602 HB3 GLU 76 3HB GLU 76 -2.740 14.648 -3.725 603 HG2 GLU 76 2HG GLU 76 -3.563 11.772 -3.237 604 HG3 GLU 76 3HG GLU 76 -4.723 13.088 -3.420 605 H ASN 77 H ASN 77 -0.834 14.570 -1.013 606 HA ASN 77 HA ASN 77 1.510 16.061 -1.739 607 HB2 ASN 77 2HB ASN 77 0.398 18.328 -1.526 608 HB3 ASN 77 3HB ASN 77 -0.030 17.447 -2.985 609 HD21 ASN 77 1HD2 ASN 77 -1.913 18.674 -3.255 610 HD22 ASN 77 2HD2 ASN 77 -3.308 18.494 -2.253 611 H GLU 78 H GLU 78 2.050 17.682 0.050 612 HA GLU 78 HA GLU 78 2.016 16.200 2.509 613 HB2 GLU 78 2HB GLU 78 3.169 18.971 1.980 614 HB3 GLU 78 3HB GLU 78 3.537 17.930 3.357 615 HG2 GLU 78 2HG GLU 78 4.454 16.228 1.751 616 HG3 GLU 78 3HG GLU 78 4.215 17.395 0.453 617 H GLU 79 H GLU 79 -0.222 18.394 1.300 618 HA GLU 79 HA GLU 79 -1.169 19.692 3.631 619 HB2 GLU 79 2HB GLU 79 -2.876 18.701 1.302 620 HB3 GLU 79 3HB GLU 79 -3.235 20.036 2.387 621 HG2 GLU 79 2HG GLU 79 -0.991 19.969 0.353 622 HG3 GLU 79 3HG GLU 79 -2.527 20.803 0.150 623 H LEU 80 H LEU 80 -1.538 16.473 2.361 624 HA LEU 80 HA LEU 80 -3.551 15.575 4.246 625 HB2 LEU 80 2HB LEU 80 -1.791 14.010 2.321 626 HB3 LEU 80 3HB LEU 80 -3.157 13.349 3.213 627 HG LEU 80 HG LEU 80 -3.386 15.556 1.131 628 HD11 LEU 80 1HD1 LEU 80 -2.640 13.489 0.080 629 HD12 LEU 80 2HD1 LEU 80 -4.309 13.843 -0.358 630 HD13 LEU 80 3HD1 LEU 80 -3.960 12.596 0.845 631 HD21 LEU 80 3HD2 LEU 80 -5.199 15.638 2.772 632 HD22 LEU 80 1HD2 LEU 80 -5.541 13.923 2.520 633 HD23 LEU 80 2HD2 LEU 80 -5.807 15.083 1.216 634 H ASP 81 H ASP 81 -3.197 14.623 6.135 635 HA ASP 81 HA ASP 81 -0.476 13.836 6.987 636 HB2 ASP 81 2HB ASP 81 -1.794 15.381 8.456 637 HB3 ASP 81 3HB ASP 81 -3.033 14.147 8.630 638 H TRP 82 H TRP 82 -0.069 11.738 7.813 639 HA TRP 82 HA TRP 82 -1.314 9.693 6.281 640 HB2 TRP 82 2HB TRP 82 0.977 9.726 8.244 641 HB3 TRP 82 3HB TRP 82 0.260 8.165 7.850 642 HD1 TRP 82 HD1 TRP 82 3.042 10.185 6.731 643 HE1 TRP 82 HE1 TRP 82 3.704 9.647 4.300 644 HE3 TRP 82 HE3 TRP 82 -1.131 7.579 5.301 645 HZ2 TRP 82 HZ2 TRP 82 2.596 8.291 2.082 646 HZ3 TRP 82 HZ3 TRP 82 -1.246 6.695 3.011 647 HH2 TRP 82 HH2 TRP 82 0.582 7.044 1.435 648 H ASN 83 H ASN 83 -1.869 10.760 9.585 649 HA ASN 83 HA ASN 83 -2.845 8.352 10.712 650 HB2 ASN 83 2HB ASN 83 -3.442 11.248 11.461 651 HB3 ASN 83 3HB ASN 83 -3.959 9.865 12.426 652 HD21 ASN 83 1HD2 ASN 83 -2.100 12.122 12.991 653 HD22 ASN 83 2HD2 ASN 83 -0.648 11.371 13.552 654 H LEU 84 H LEU 84 -4.298 10.555 8.498 655 HA LEU 84 HA LEU 84 -7.058 9.873 8.908 656 HB2 LEU 84 2HB LEU 84 -5.643 11.088 6.492 657 HB3 LEU 84 3HB LEU 84 -7.386 11.029 6.711 658 HG LEU 84 HG LEU 84 -5.456 12.582 8.486 659 HD11 LEU 84 1HD1 LEU 84 -7.371 13.608 6.367 660 HD12 LEU 84 2HD1 LEU 84 -5.609 13.589 6.264 661 HD13 LEU 84 3HD1 LEU 84 -6.406 14.604 7.463 662 HD21 LEU 84 3HD2 LEU 84 -7.409 11.848 9.758 663 HD22 LEU 84 1HD2 LEU 84 -8.494 12.492 8.521 664 HD23 LEU 84 2HD2 LEU 84 -7.490 13.584 9.479 665 H LEU 85 H LEU 85 -4.522 8.851 6.630 666 HA LEU 85 HA LEU 85 -6.253 7.124 5.102 667 HB2 LEU 85 2HB LEU 85 -3.220 7.458 5.000 668 HB3 LEU 85 3HB LEU 85 -4.166 6.495 3.880 669 HG LEU 85 HG LEU 85 -5.409 8.734 3.316 670 HD11 LEU 85 1HD1 LEU 85 -4.111 10.787 3.572 671 HD12 LEU 85 2HD1 LEU 85 -2.899 9.917 4.517 672 HD13 LEU 85 3HD1 LEU 85 -4.541 10.095 5.137 673 HD21 LEU 85 3HD2 LEU 85 -2.545 8.308 2.419 674 HD22 LEU 85 1HD2 LEU 85 -3.744 9.304 1.592 675 HD23 LEU 85 2HD2 LEU 85 -3.983 7.565 1.719 676 H LYS 86 H LYS 86 -3.839 6.658 7.665 677 HA LYS 86 HA LYS 86 -3.042 4.075 7.407 678 HB2 LYS 86 2HB LYS 86 -3.599 5.610 9.955 679 HB3 LYS 86 3HB LYS 86 -2.846 4.021 9.968 680 HG2 LYS 86 2HG LYS 86 -0.953 4.854 8.695 681 HG3 LYS 86 3HG LYS 86 -1.722 6.441 8.539 682 HD2 LYS 86 2HD LYS 86 -1.732 6.598 11.067 683 HD3 LYS 86 3HD LYS 86 -0.777 5.111 11.109 684 HE2 LYS 86 2HE LYS 86 1.020 6.235 9.861 685 HE3 LYS 86 3HE LYS 86 0.049 7.706 9.779 686 HZ1 LYS 86 3HZ LYS 86 1.052 6.434 12.262 687 HZ2 LYS 86 1HZ LYS 86 0.120 7.838 12.188 688 HZ3 LYS 86 2HZ LYS 86 1.677 7.822 11.538 689 HA PRO 87 HA PRO 87 -6.641 2.198 10.180 690 HB2 PRO 87 2HB PRO 87 -8.941 4.108 9.775 691 HB3 PRO 87 3HB PRO 87 -8.397 3.292 11.257 692 HG2 PRO 87 2HG PRO 87 -7.961 5.892 10.940 693 HG3 PRO 87 3HG PRO 87 -6.719 4.852 11.682 694 HD2 PRO 87 2HD PRO 87 -6.860 5.880 8.841 695 HD3 PRO 87 3HD PRO 87 -5.477 5.854 9.958 696 H ASP 88 H ASP 88 -7.519 4.028 7.280 697 HA ASP 88 HA ASP 88 -9.327 2.121 6.170 698 HB2 ASP 88 2HB ASP 88 -9.026 4.653 5.584 699 HB3 ASP 88 3HB ASP 88 -7.710 4.126 4.547 700 H ILE 89 H ILE 89 -5.849 2.790 5.745 701 HA ILE 89 HA ILE 89 -5.287 0.922 3.704 702 HB ILE 89 HB ILE 89 -3.427 2.161 5.798 703 HG12 ILE 89 2HG1 ILE 89 -3.873 2.848 2.851 704 HG13 ILE 89 3HG1 ILE 89 -4.490 3.771 4.210 705 HG21 ILE 89 1HG2 ILE 89 -1.519 1.470 4.379 706 HG22 ILE 89 2HG2 ILE 89 -2.620 0.601 3.309 707 HG23 ILE 89 3HG2 ILE 89 -2.407 0.063 4.975 708 HD11 ILE 89 3HD1 ILE 89 -2.186 4.303 4.868 709 HD12 ILE 89 1HD1 ILE 89 -2.584 4.860 3.243 710 HD13 ILE 89 2HD1 ILE 89 -1.596 3.415 3.459 711 H TYR 90 H TYR 90 -5.136 0.645 7.268 712 HA TYR 90 HA TYR 90 -4.071 -1.979 7.412 713 HB2 TYR 90 2HB TYR 90 -5.886 -0.619 9.453 714 HB3 TYR 90 3HB TYR 90 -4.869 -2.026 9.747 715 HD1 TYR 90 HD2 TYR 90 -2.337 -0.962 8.262 716 HD2 TYR 90 HD1 TYR 90 -4.975 0.816 11.129 717 HE1 TYR 90 HE2 TYR 90 -0.528 0.530 9.022 718 HE2 TYR 90 HE1 TYR 90 -3.166 2.294 11.873 719 HH TYR 90 HH TYR 90 -0.673 2.335 11.856 720 H ALA 91 H ALA 91 -7.400 -0.745 7.633 721 HA ALA 91 HA ALA 91 -8.801 -3.122 7.963 722 HB1 ALA 91 3HB ALA 91 -9.787 -0.879 8.250 723 HB2 ALA 91 1HB ALA 91 -10.767 -1.871 7.169 724 HB3 ALA 91 2HB ALA 91 -9.714 -0.615 6.508 725 H THR 92 H THR 92 -7.925 -1.439 4.968 726 HA THR 92 HA THR 92 -9.082 -3.121 3.066 727 HB THR 92 HB THR 92 -6.690 -1.245 2.898 728 HG1 THR 92 HG1 THR 92 -8.241 0.188 2.794 729 HG21 THR 92 3HG2 THR 92 -8.196 -2.532 0.592 730 HG22 THR 92 1HG2 THR 92 -6.516 -2.854 1.034 731 HG23 THR 92 2HG2 THR 92 -6.984 -1.258 0.448 732 H ILE 93 H ILE 93 -5.674 -3.120 4.238 733 HA ILE 93 HA ILE 93 -4.816 -5.278 2.583 734 HB ILE 93 HB ILE 93 -3.505 -4.176 5.114 735 HG12 ILE 93 2HG1 ILE 93 -2.860 -3.665 2.166 736 HG13 ILE 93 3HG1 ILE 93 -3.684 -2.532 3.233 737 HG21 ILE 93 1HG2 ILE 93 -1.424 -5.316 4.376 738 HG22 ILE 93 2HG2 ILE 93 -2.304 -6.063 3.043 739 HG23 ILE 93 3HG2 ILE 93 -2.710 -6.481 4.707 740 HD11 ILE 93 3HD1 ILE 93 -1.374 -1.905 2.946 741 HD12 ILE 93 1HD1 ILE 93 -0.836 -3.490 3.504 742 HD13 ILE 93 2HD1 ILE 93 -1.657 -2.393 4.617 743 H MET 94 H MET 94 -5.756 -5.174 6.050 744 HA MET 94 HA MET 94 -5.357 -7.897 6.637 745 HB2 MET 94 2HB MET 94 -7.306 -5.929 7.906 746 HB3 MET 94 3HB MET 94 -6.991 -7.538 8.539 747 HG2 MET 94 2HG MET 94 -4.598 -6.900 8.840 748 HG3 MET 94 3HG MET 94 -5.013 -5.261 8.335 749 HE1 MET 94 3HE MET 94 -6.825 -3.713 9.729 750 HE2 MET 94 1HE MET 94 -7.542 -4.236 11.253 751 HE3 MET 94 2HE MET 94 -8.006 -5.024 9.747 752 H ASP 95 H ASP 95 -8.281 -6.180 5.507 753 HA ASP 95 HA ASP 95 -10.096 -8.302 5.377 754 HB2 ASP 95 2HB ASP 95 -10.763 -5.941 5.128 755 HB3 ASP 95 3HB ASP 95 -9.907 -5.825 3.597 756 H PHE 96 H PHE 96 -7.732 -7.189 3.022 757 HA PHE 96 HA PHE 96 -8.416 -8.806 0.823 758 HB2 PHE 96 2HB PHE 96 -6.953 -6.796 0.736 759 HB3 PHE 96 3HB PHE 96 -5.692 -7.670 1.595 760 HD1 PHE 96 HD2 PHE 96 -7.582 -7.462 -1.589 761 HD2 PHE 96 HD1 PHE 96 -4.220 -9.181 0.410 762 HE1 PHE 96 HE2 PHE 96 -6.682 -8.214 -3.740 763 HE2 PHE 96 HE1 PHE 96 -3.332 -9.932 -1.748 764 HZ PHE 96 HZ PHE 96 -4.549 -9.444 -3.824 765 H PHE 97 H PHE 97 -6.126 -9.352 3.476 766 HA PHE 97 HA PHE 97 -5.295 -11.971 2.524 767 HB2 PHE 97 2HB PHE 97 -4.653 -10.376 5.026 768 HB3 PHE 97 3HB PHE 97 -4.119 -12.044 4.838 769 HD1 PHE 97 HD1 PHE 97 -4.007 -8.755 2.993 770 HD2 PHE 97 HD2 PHE 97 -2.025 -12.442 3.832 771 HE1 PHE 97 HE1 PHE 97 -2.035 -7.979 1.749 772 HE2 PHE 97 HE2 PHE 97 -0.055 -11.652 2.585 773 HZ PHE 97 HZ PHE 97 -0.059 -9.427 1.546 774 H ALA 98 H ALA 98 -7.743 -10.753 4.705 775 HA ALA 98 HA ALA 98 -8.493 -13.287 5.829 776 HB1 ALA 98 3HB ALA 98 -10.530 -12.115 6.569 777 HB2 ALA 98 1HB ALA 98 -10.118 -10.727 5.553 778 HB3 ALA 98 2HB ALA 98 -9.089 -11.162 6.917 779 H SER 99 H SER 99 -9.324 -11.470 2.954 780 HA SER 99 HA SER 99 -11.491 -13.114 2.048 781 HB2 SER 99 2HB SER 99 -11.215 -10.750 1.342 782 HB3 SER 99 3HB SER 99 -9.712 -11.158 0.511 783 HG SER 99 HG SER 99 -11.499 -11.085 -0.903 784 H GLY 100 H GLY 100 -7.997 -13.032 1.591 785 HA2 GLY 100 2HA GLY 100 -6.539 -14.670 0.902 786 HA3 GLY 100 3HA GLY 100 -7.898 -15.750 0.637 787 H LEU 101 H LEU 101 -7.877 -12.603 -0.851 788 HA LEU 101 HA LEU 101 -7.951 -13.571 -3.532 789 HB2 LEU 101 2HB LEU 101 -7.371 -10.772 -2.474 790 HB3 LEU 101 3HB LEU 101 -7.660 -11.147 -4.164 791 HG LEU 101 HG LEU 101 -9.681 -11.363 -1.899 792 HD11 LEU 101 1HD1 LEU 101 -9.239 -9.054 -2.579 793 HD12 LEU 101 2HD1 LEU 101 -10.855 -9.547 -3.076 794 HD13 LEU 101 3HD1 LEU 101 -9.556 -9.465 -4.268 795 HD21 LEU 101 3HD2 LEU 101 -10.064 -12.014 -4.842 796 HD22 LEU 101 1HD2 LEU 101 -11.345 -11.945 -3.628 797 HD23 LEU 101 2HD2 LEU 101 -10.082 -13.167 -3.506 798 HA PRO 102 HA PRO 102 -3.525 -13.980 -4.445 799 HB2 PRO 102 2HB PRO 102 -3.467 -13.176 -7.115 800 HB3 PRO 102 3HB PRO 102 -4.001 -14.782 -6.583 801 HG2 PRO 102 2HG PRO 102 -5.666 -12.384 -7.276 802 HG3 PRO 102 3HG PRO 102 -5.916 -14.089 -7.718 803 HD2 PRO 102 2HD PRO 102 -7.319 -12.963 -5.714 804 HD3 PRO 102 3HD PRO 102 -6.771 -14.652 -5.608 805 H LEU 103 H LEU 103 -2.048 -12.574 -3.677 806 HA LEU 103 HA LEU 103 -2.305 -9.843 -3.295 807 HB2 LEU 103 2HB LEU 103 -0.709 -11.527 -2.200 808 HB3 LEU 103 3HB LEU 103 0.328 -11.349 -3.594 809 HG LEU 103 HG LEU 103 1.080 -10.081 -1.555 810 HD11 LEU 103 1HD1 LEU 103 0.488 -8.255 -3.895 811 HD12 LEU 103 2HD1 LEU 103 1.865 -9.352 -3.763 812 HD13 LEU 103 3HD1 LEU 103 1.709 -8.003 -2.640 813 HD21 LEU 103 3HD2 LEU 103 -0.062 -8.042 -0.851 814 HD22 LEU 103 1HD2 LEU 103 -1.122 -9.441 -0.675 815 HD23 LEU 103 2HD2 LEU 103 -1.349 -8.326 -2.025 816 H VAL 104 H VAL 104 -0.749 -11.614 -5.896 817 HA VAL 104 HA VAL 104 -0.847 -9.238 -7.664 818 HB VAL 104 HB VAL 104 1.360 -11.365 -7.521 819 HG11 VAL 104 1HG1 VAL 104 2.474 -10.135 -9.342 820 HG12 VAL 104 2HG1 VAL 104 1.089 -9.048 -9.475 821 HG13 VAL 104 3HG1 VAL 104 0.908 -10.761 -9.864 822 HG21 VAL 104 3HG2 VAL 104 1.589 -9.664 -5.768 823 HG22 VAL 104 1HG2 VAL 104 1.478 -8.374 -6.970 824 HG23 VAL 104 2HG2 VAL 104 2.863 -9.472 -6.972 825 H THR 105 H THR 105 -2.090 -9.644 -9.442 826 HA THR 105 HA THR 105 -2.974 -12.305 -10.168 827 HB THR 105 HB THR 105 -3.938 -11.025 -12.240 828 HG1 THR 105 HG1 THR 105 -4.140 -8.647 -11.417 829 HG21 THR 105 3HG2 THR 105 -5.823 -10.098 -10.952 830 HG22 THR 105 1HG2 THR 105 -4.878 -10.212 -9.466 831 HG23 THR 105 2HG2 THR 105 -5.351 -11.677 -10.325 832 H GLU 106 H GLU 106 -1.069 -9.776 -11.816 833 HA GLU 106 HA GLU 106 0.476 -11.858 -13.252 834 HB2 GLU 106 2HB GLU 106 0.562 -10.304 -15.218 835 HB3 GLU 106 3HB GLU 106 -1.049 -10.924 -14.887 836 HG2 GLU 106 2HG GLU 106 -1.769 -8.832 -13.968 837 HG3 GLU 106 3HG GLU 106 -0.126 -8.194 -13.953 838 H GLU 107 H GLU 107 2.606 -11.684 -12.897 839 HA GLU 107 HA GLU 107 3.623 -9.757 -11.088 840 HB2 GLU 107 2HB GLU 107 5.899 -10.853 -11.617 841 HB3 GLU 107 3HB GLU 107 4.653 -11.854 -10.897 842 HG2 GLU 107 2HG GLU 107 4.192 -12.917 -13.049 843 HG3 GLU 107 3HG GLU 107 5.341 -11.847 -13.850 Start of MODEL 6 1 H1 MET 1 1H MET 1 -6.837 -14.805 34.354 2 H2 MET 1 2H MET 1 -6.506 -16.345 33.737 3 H3 MET 1 3H MET 1 -8.091 -15.764 33.751 4 HA MET 1 HA MET 1 -7.551 -14.052 32.192 5 HB2 MET 1 2HB MET 1 -5.187 -13.727 32.851 6 HB3 MET 1 3HB MET 1 -4.772 -15.315 32.228 7 HG2 MET 1 2HG MET 1 -5.335 -14.552 29.943 8 HG3 MET 1 3HG MET 1 -5.721 -12.956 30.579 9 HE1 MET 1 3HE MET 1 -3.372 -12.556 32.780 10 HE2 MET 1 1HE MET 1 -3.861 -11.295 31.638 11 HE3 MET 1 2HE MET 1 -2.163 -11.735 31.794 12 H GLY 2 H GLY 2 -8.707 -14.722 30.496 13 HA2 GLY 2 2HA GLY 2 -8.646 -17.483 29.558 14 HA3 GLY 2 3HA GLY 2 -9.762 -16.216 29.077 15 H HIS 3 H HIS 3 -6.575 -17.553 28.601 16 HA HIS 3 HA HIS 3 -5.603 -15.745 26.657 17 HB2 HIS 3 2HB HIS 3 -4.815 -18.639 27.195 18 HB3 HIS 3 3HB HIS 3 -3.939 -17.564 26.110 19 HD1 HIS 3 HD1 HIS 3 -4.317 -18.442 29.682 20 HD2 HIS 3 HD2 HIS 3 -2.555 -15.416 27.437 21 HE1 HIS 3 HE1 HIS 3 -2.753 -17.257 31.245 22 HE2 HIS 3 HE2 HIS 3 -1.838 -15.343 29.914 23 H HIS 4 H HIS 4 -7.864 -18.361 26.375 24 HA HIS 4 HA HIS 4 -7.371 -19.037 23.635 25 HB2 HIS 4 2HB HIS 4 -9.845 -19.552 25.342 26 HB3 HIS 4 3HB HIS 4 -9.523 -20.287 23.773 27 HD1 HIS 4 HD1 HIS 4 -7.991 -22.319 23.719 28 HD2 HIS 4 HD2 HIS 4 -8.116 -20.483 27.451 29 HE1 HIS 4 HE1 HIS 4 -6.789 -23.871 25.282 30 HE2 HIS 4 HE2 HIS 4 -6.981 -22.798 27.545 31 H HIS 5 H HIS 5 -9.625 -16.823 25.250 32 HA HIS 5 HA HIS 5 -10.702 -15.919 22.646 33 HB2 HIS 5 2HB HIS 5 -11.701 -15.547 25.503 34 HB3 HIS 5 3HB HIS 5 -12.404 -14.690 24.136 35 HD1 HIS 5 HD1 HIS 5 -14.318 -15.839 23.045 36 HD2 HIS 5 HD2 HIS 5 -11.931 -18.523 25.137 37 HE1 HIS 5 HE1 HIS 5 -15.468 -18.058 22.856 38 HE2 HIS 5 HE2 HIS 5 -13.967 -19.684 24.041 39 H HIS 6 H HIS 6 -8.076 -15.125 24.435 40 HA HIS 6 HA HIS 6 -8.264 -12.230 23.774 41 HB2 HIS 6 2HB HIS 6 -7.875 -12.731 26.186 42 HB3 HIS 6 3HB HIS 6 -6.388 -13.569 25.772 43 HD1 HIS 6 HD1 HIS 6 -7.837 -10.147 26.218 44 HD2 HIS 6 HD2 HIS 6 -4.200 -11.814 25.083 45 HE1 HIS 6 HE1 HIS 6 -6.160 -8.284 26.349 46 HE2 HIS 6 HE2 HIS 6 -3.955 -9.358 25.836 47 H HIS 7 H HIS 7 -6.520 -15.194 23.135 48 HA HIS 7 HA HIS 7 -4.390 -13.810 21.631 49 HB2 HIS 7 2HB HIS 7 -3.830 -15.721 23.202 50 HB3 HIS 7 3HB HIS 7 -4.687 -16.813 22.124 51 HD1 HIS 7 HD1 HIS 7 -1.891 -14.235 21.728 52 HD2 HIS 7 HD2 HIS 7 -2.890 -18.079 20.492 53 HE1 HIS 7 HE1 HIS 7 0.005 -14.985 20.271 54 HE2 HIS 7 HE2 HIS 7 -0.690 -17.243 19.416 55 H HIS 8 H HIS 8 -7.287 -13.955 20.806 56 HA HIS 8 HA HIS 8 -7.286 -15.324 18.249 57 HB2 HIS 8 2HB HIS 8 -9.319 -14.782 19.795 58 HB3 HIS 8 3HB HIS 8 -9.219 -13.149 19.152 59 HD1 HIS 8 HD1 HIS 8 -9.977 -16.700 18.110 60 HD2 HIS 8 HD2 HIS 8 -10.419 -12.838 16.646 61 HE1 HIS 8 HE1 HIS 8 -11.492 -16.902 16.128 62 HE2 HIS 8 HE2 HIS 8 -11.935 -14.532 15.434 63 H SER 9 H SER 9 -5.577 -12.787 19.317 64 HA SER 9 HA SER 9 -5.729 -10.593 17.722 65 HB2 SER 9 2HB SER 9 -3.228 -10.385 18.182 66 HB3 SER 9 3HB SER 9 -4.216 -10.687 19.611 67 HG SER 9 HG SER 9 -2.771 -12.654 18.147 68 H HIS 10 H HIS 10 -5.871 -10.468 15.601 69 HA HIS 10 HA HIS 10 -4.688 -12.399 13.768 70 HB2 HIS 10 2HB HIS 10 -6.539 -10.006 13.371 71 HB3 HIS 10 3HB HIS 10 -5.924 -10.968 12.030 72 HD1 HIS 10 HD1 HIS 10 -8.849 -10.677 13.961 73 HD2 HIS 10 HD2 HIS 10 -6.605 -13.912 12.643 74 HE1 HIS 10 HE1 HIS 10 -10.431 -12.631 13.935 75 HE2 HIS 10 HE2 HIS 10 -8.986 -14.602 13.342 76 H MET 11 H MET 11 -4.038 -11.033 11.573 77 HA MET 11 HA MET 11 -1.476 -9.887 12.155 78 HB2 MET 11 2HB MET 11 -1.910 -11.305 10.124 79 HB3 MET 11 3HB MET 11 -2.960 -10.044 9.491 80 HG2 MET 11 2HG MET 11 -0.884 -8.501 9.689 81 HG3 MET 11 3HG MET 11 0.033 -9.998 9.839 82 HE1 MET 11 3HE MET 11 -3.177 -9.200 7.574 83 HE2 MET 11 1HE MET 11 -2.362 -8.755 6.077 84 HE3 MET 11 2HE MET 11 -2.188 -7.738 7.508 85 H PHE 12 H PHE 12 -1.572 -7.890 13.123 86 HA PHE 12 HA PHE 12 -2.990 -5.692 11.750 87 HB2 PHE 12 2HB PHE 12 -2.466 -4.322 13.737 88 HB3 PHE 12 3HB PHE 12 -3.313 -5.783 14.202 89 HD1 PHE 12 HD2 PHE 12 -2.151 -7.552 15.509 90 HD2 PHE 12 HD1 PHE 12 -0.141 -3.922 14.449 91 HE1 PHE 12 HE2 PHE 12 -0.402 -8.021 17.180 92 HE2 PHE 12 HE1 PHE 12 1.599 -4.401 16.125 93 HZ PHE 12 HZ PHE 12 1.469 -6.448 17.489 94 H ILE 13 H ILE 13 -1.806 -3.903 10.946 95 HA ILE 13 HA ILE 13 0.784 -4.631 9.827 96 HB ILE 13 HB ILE 13 -1.044 -2.222 9.337 97 HG12 ILE 13 2HG1 ILE 13 -1.218 -3.262 6.976 98 HG13 ILE 13 3HG1 ILE 13 -0.465 -4.694 7.651 99 HG21 ILE 13 1HG2 ILE 13 0.424 -1.570 7.458 100 HG22 ILE 13 2HG2 ILE 13 1.562 -2.841 7.906 101 HG23 ILE 13 3HG2 ILE 13 1.273 -1.493 9.006 102 HD11 ILE 13 3HD1 ILE 13 -2.879 -4.918 7.452 103 HD12 ILE 13 1HD1 ILE 13 -3.104 -3.532 8.519 104 HD13 ILE 13 2HD1 ILE 13 -2.364 -5.011 9.136 105 H GLN 14 H GLN 14 2.733 -3.493 10.209 106 HA GLN 14 HA GLN 14 2.759 -1.392 12.314 107 HB2 GLN 14 2HB GLN 14 5.066 -2.099 12.844 108 HB3 GLN 14 3HB GLN 14 3.935 -3.430 13.052 109 HG2 GLN 14 2HG GLN 14 4.643 -4.345 10.856 110 HG3 GLN 14 3HG GLN 14 5.804 -3.032 10.697 111 HE21 GLN 14 1HE2 GLN 14 6.572 -3.125 13.555 112 HE22 GLN 14 2HE2 GLN 14 7.533 -4.547 13.728 113 H THR 15 H THR 15 4.333 0.351 12.002 114 HA THR 15 HA THR 15 4.904 0.908 9.142 115 HB THR 15 HB THR 15 4.711 3.362 9.821 116 HG1 THR 15 HG1 THR 15 4.804 2.566 12.209 117 HG21 THR 15 3HG2 THR 15 2.199 1.701 10.242 118 HG22 THR 15 1HG2 THR 15 2.839 2.211 8.670 119 HG23 THR 15 2HG2 THR 15 2.258 3.411 9.822 120 H GLN 16 H GLN 16 6.921 1.462 8.575 121 HA GLN 16 HA GLN 16 9.004 1.764 10.658 122 HB2 GLN 16 2HB GLN 16 9.212 -0.272 9.243 123 HB3 GLN 16 3HB GLN 16 9.249 0.728 7.799 124 HG2 GLN 16 2HG GLN 16 11.490 -0.074 8.410 125 HG3 GLN 16 3HG GLN 16 11.394 1.682 8.466 126 HE21 GLN 16 1HE2 GLN 16 11.599 -1.234 10.406 127 HE22 GLN 16 2HE2 GLN 16 12.136 -0.462 11.854 128 H ASP 17 H ASP 17 10.548 3.352 10.434 129 HA ASP 17 HA ASP 17 9.812 5.878 9.466 130 HB2 ASP 17 2HB ASP 17 12.597 4.857 10.198 131 HB3 ASP 17 3HB ASP 17 12.162 6.555 10.010 132 H THR 18 H THR 18 9.961 6.778 7.499 133 HA THR 18 HA THR 18 11.737 5.616 5.427 134 HB THR 18 HB THR 18 10.146 6.784 3.792 135 HG1 THR 18 HG1 THR 18 8.461 7.842 4.540 136 HG21 THR 18 3HG2 THR 18 8.359 5.077 3.909 137 HG22 THR 18 1HG2 THR 18 8.892 4.636 5.540 138 HG23 THR 18 2HG2 THR 18 9.948 4.352 4.156 139 HA PRO 19 HA PRO 19 13.949 9.559 5.639 140 HB2 PRO 19 2HB PRO 19 14.752 9.241 2.790 141 HB3 PRO 19 3HB PRO 19 15.752 9.171 4.254 142 HG2 PRO 19 2HG PRO 19 15.239 6.968 2.790 143 HG3 PRO 19 3HG PRO 19 15.413 6.901 4.560 144 HD2 PRO 19 2HD PRO 19 12.880 6.941 2.915 145 HD3 PRO 19 3HD PRO 19 13.302 5.915 4.306 146 H ASN 20 H ASN 20 11.179 9.195 3.816 147 HA ASN 20 HA ASN 20 11.041 12.049 3.068 148 HB2 ASN 20 2HB ASN 20 11.527 10.988 0.971 149 HB3 ASN 20 3HB ASN 20 10.465 9.630 1.311 150 HD21 ASN 20 1HD2 ASN 20 10.518 13.071 0.500 151 HD22 ASN 20 2HD2 ASN 20 8.948 13.097 -0.222 152 HA PRO 21 HA PRO 21 7.294 11.417 5.534 153 HB2 PRO 21 2HB PRO 21 6.481 14.195 4.997 154 HB3 PRO 21 3HB PRO 21 7.150 13.504 6.486 155 HG2 PRO 21 2HG PRO 21 8.514 15.289 4.937 156 HG3 PRO 21 3HG PRO 21 9.316 14.066 5.949 157 HD2 PRO 21 2HD PRO 21 8.756 13.991 2.982 158 HD3 PRO 21 3HD PRO 21 10.239 13.541 3.860 159 H ASN 22 H ASN 22 7.243 12.445 2.204 160 HA ASN 22 HA ASN 22 4.418 12.520 1.766 161 HB2 ASN 22 2HB ASN 22 6.661 12.049 -0.251 162 HB3 ASN 22 3HB ASN 22 4.997 12.471 -0.643 163 HD21 ASN 22 1HD2 ASN 22 5.569 14.335 -1.722 164 HD22 ASN 22 2HD2 ASN 22 6.196 15.737 -0.932 165 H SER 23 H SER 23 6.704 10.017 2.114 166 HA SER 23 HA SER 23 4.717 7.958 1.327 167 HB2 SER 23 2HB SER 23 6.672 6.458 0.836 168 HB3 SER 23 3HB SER 23 6.607 7.863 -0.228 169 HG SER 23 HG SER 23 8.155 8.848 1.237 170 H LEU 24 H LEU 24 4.486 6.206 2.752 171 HA LEU 24 HA LEU 24 6.297 5.991 5.066 172 HB2 LEU 24 2HB LEU 24 4.324 7.251 5.883 173 HB3 LEU 24 3HB LEU 24 3.252 5.996 5.289 174 HG LEU 24 HG LEU 24 4.122 4.407 6.967 175 HD11 LEU 24 1HD1 LEU 24 5.687 5.111 8.738 176 HD12 LEU 24 2HD1 LEU 24 5.939 6.648 7.907 177 HD13 LEU 24 3HD1 LEU 24 6.436 5.136 7.142 178 HD21 LEU 24 3HD2 LEU 24 3.298 7.055 8.213 179 HD22 LEU 24 1HD2 LEU 24 3.231 5.477 9.006 180 HD23 LEU 24 2HD2 LEU 24 2.212 5.802 7.607 181 H LYS 25 H LYS 25 6.698 3.920 5.659 182 HA LYS 25 HA LYS 25 5.869 1.817 3.813 183 HB2 LYS 25 2HB LYS 25 8.265 2.094 4.292 184 HB3 LYS 25 3HB LYS 25 7.971 1.873 6.014 185 HG2 LYS 25 2HG LYS 25 7.283 -0.446 5.636 186 HG3 LYS 25 3HG LYS 25 7.478 -0.253 3.892 187 HD2 LYS 25 2HD LYS 25 9.714 0.012 5.938 188 HD3 LYS 25 3HD LYS 25 9.401 -1.430 4.972 189 HE2 LYS 25 2HE LYS 25 9.925 -0.245 2.924 190 HE3 LYS 25 3HE LYS 25 10.045 1.292 3.789 191 HZ1 LYS 25 3HZ LYS 25 11.942 0.397 5.007 192 HZ2 LYS 25 1HZ LYS 25 12.218 0.377 3.342 193 HZ3 LYS 25 2HZ LYS 25 11.830 -1.054 4.147 194 H PHE 26 H PHE 26 4.380 0.424 4.335 195 HA PHE 26 HA PHE 26 3.433 -0.016 7.098 196 HB2 PHE 26 2HB PHE 26 1.933 -0.221 4.427 197 HB3 PHE 26 3HB PHE 26 1.247 -0.656 5.988 198 HD1 PHE 26 HD2 PHE 26 2.345 2.185 3.858 199 HD2 PHE 26 HD1 PHE 26 0.480 1.049 7.536 200 HE1 PHE 26 HE2 PHE 26 1.583 4.504 4.195 201 HE2 PHE 26 HE1 PHE 26 -0.270 3.362 7.854 202 HZ PHE 26 HZ PHE 26 0.273 5.093 6.202 203 H ILE 27 H ILE 27 4.802 -1.726 7.563 204 HA ILE 27 HA ILE 27 5.172 -3.995 5.800 205 HB ILE 27 HB ILE 27 5.970 -3.632 8.734 206 HG12 ILE 27 2HG1 ILE 27 7.701 -3.252 6.245 207 HG13 ILE 27 3HG1 ILE 27 7.004 -1.938 7.182 208 HG21 ILE 27 1HG2 ILE 27 7.545 -5.509 8.380 209 HG22 ILE 27 2HG2 ILE 27 6.956 -5.703 6.729 210 HG23 ILE 27 3HG2 ILE 27 5.877 -6.020 8.087 211 HD11 ILE 27 3HD1 ILE 27 9.326 -2.239 7.717 212 HD12 ILE 27 1HD1 ILE 27 9.044 -3.922 8.164 213 HD13 ILE 27 2HD1 ILE 27 8.325 -2.621 9.117 214 HA PRO 28 HA PRO 28 1.124 -5.432 7.367 215 HB2 PRO 28 2HB PRO 28 0.804 -7.603 5.707 216 HB3 PRO 28 3HB PRO 28 0.544 -5.931 5.170 217 HG2 PRO 28 2HG PRO 28 2.976 -7.654 4.811 218 HG3 PRO 28 3HG PRO 28 2.140 -6.624 3.626 219 HD2 PRO 28 2HD PRO 28 4.382 -5.788 4.875 220 HD3 PRO 28 3HD PRO 28 3.074 -4.656 4.461 221 H GLY 29 H GLY 29 4.029 -7.410 7.139 222 HA2 GLY 29 2HA GLY 29 4.789 -8.856 8.885 223 HA3 GLY 29 3HA GLY 29 3.126 -9.140 9.379 224 H LYS 30 H LYS 30 2.956 -9.239 6.157 225 HA LYS 30 HA LYS 30 3.688 -12.089 5.857 226 HB2 LYS 30 2HB LYS 30 1.343 -10.561 4.628 227 HB3 LYS 30 3HB LYS 30 1.817 -12.189 4.145 228 HG2 LYS 30 2HG LYS 30 1.360 -12.999 6.439 229 HG3 LYS 30 3HG LYS 30 0.867 -11.369 6.908 230 HD2 LYS 30 2HD LYS 30 -1.004 -11.447 5.310 231 HD3 LYS 30 3HD LYS 30 -0.494 -13.045 4.757 232 HE2 LYS 30 2HE LYS 30 -1.448 -12.368 7.560 233 HE3 LYS 30 3HE LYS 30 -2.399 -13.181 6.315 234 HZ1 LYS 30 3HZ LYS 30 0.050 -14.204 7.634 235 HZ2 LYS 30 1HZ LYS 30 -0.694 -14.950 6.312 236 HZ3 LYS 30 2HZ LYS 30 -1.520 -14.811 7.778 237 HA PRO 31 HA PRO 31 6.457 -10.445 2.731 238 HB2 PRO 31 2HB PRO 31 7.021 -12.752 1.329 239 HB3 PRO 31 3HB PRO 31 7.692 -12.407 2.934 240 HG2 PRO 31 2HG PRO 31 5.359 -14.142 2.209 241 HG3 PRO 31 3HG PRO 31 6.665 -14.444 3.378 242 HD2 PRO 31 2HD PRO 31 4.212 -13.585 4.167 243 HD3 PRO 31 3HD PRO 31 5.699 -13.115 5.019 244 H VAL 32 H VAL 32 4.976 -9.086 1.688 245 HA VAL 32 HA VAL 32 2.981 -9.926 -0.125 246 HB VAL 32 HB VAL 32 2.854 -7.522 -0.850 247 HG11 VAL 32 1HG1 VAL 32 2.073 -6.664 1.336 248 HG12 VAL 32 2HG1 VAL 32 2.880 -8.005 2.149 249 HG13 VAL 32 3HG1 VAL 32 1.541 -8.321 1.046 250 HG21 VAL 32 3HG2 VAL 32 4.202 -5.808 0.310 251 HG22 VAL 32 1HG2 VAL 32 5.234 -6.892 -0.630 252 HG23 VAL 32 2HG2 VAL 32 5.131 -7.070 1.123 253 H LEU 33 H LEU 33 6.253 -8.618 -0.757 254 HA LEU 33 HA LEU 33 6.421 -10.289 -3.157 255 HB2 LEU 33 2HB LEU 33 6.870 -7.284 -3.154 256 HB3 LEU 33 3HB LEU 33 7.597 -8.325 -4.364 257 HG LEU 33 HG LEU 33 4.614 -7.886 -3.952 258 HD11 LEU 33 1HD1 LEU 33 5.761 -5.966 -4.960 259 HD12 LEU 33 2HD1 LEU 33 4.677 -6.752 -6.102 260 HD13 LEU 33 3HD1 LEU 33 6.420 -7.009 -6.224 261 HD21 LEU 33 3HD2 LEU 33 6.034 -9.605 -6.014 262 HD22 LEU 33 1HD2 LEU 33 4.307 -9.228 -5.998 263 HD23 LEU 33 2HD2 LEU 33 5.011 -10.178 -4.692 264 H GLU 34 H GLU 34 7.674 -11.474 -1.572 265 HA GLU 34 HA GLU 34 10.292 -10.376 -0.812 266 HB2 GLU 34 2HB GLU 34 8.789 -11.727 0.756 267 HB3 GLU 34 3HB GLU 34 9.156 -13.146 -0.217 268 HG2 GLU 34 2HG GLU 34 10.510 -13.035 1.845 269 HG3 GLU 34 3HG GLU 34 11.516 -12.994 0.400 270 H THR 35 H THR 35 9.751 -10.659 -3.543 271 HA THR 35 HA THR 35 11.805 -12.542 -4.460 272 HB THR 35 HB THR 35 9.729 -13.673 -4.992 273 HG1 THR 35 HG1 THR 35 11.281 -13.696 -6.665 274 HG21 THR 35 3HG2 THR 35 8.146 -11.800 -4.827 275 HG22 THR 35 1HG2 THR 35 7.936 -12.658 -6.357 276 HG23 THR 35 2HG2 THR 35 8.780 -11.108 -6.322 277 H ARG 36 H ARG 36 10.015 -9.527 -4.793 278 HA ARG 36 HA ARG 36 12.087 -8.138 -6.163 279 HB2 ARG 36 2HB ARG 36 10.996 -7.730 -8.299 280 HB3 ARG 36 3HB ARG 36 11.141 -9.466 -8.074 281 HG2 ARG 36 2HG ARG 36 8.778 -9.674 -7.554 282 HG3 ARG 36 3HG ARG 36 8.579 -7.920 -7.527 283 HD2 ARG 36 2HD ARG 36 9.155 -7.839 -9.942 284 HD3 ARG 36 3HD ARG 36 9.285 -9.602 -9.955 285 HE ARG 36 HE ARG 36 6.770 -9.087 -8.982 286 HH11 ARG 36 1HH1 ARG 36 8.464 -8.261 -11.961 287 HH12 ARG 36 2HH1 ARG 36 7.013 -8.226 -12.909 288 HH21 ARG 36 1HH2 ARG 36 4.903 -9.070 -10.251 289 HH22 ARG 36 2HH2 ARG 36 4.996 -8.686 -11.937 290 H THR 37 H THR 37 10.834 -6.017 -7.202 291 HA THR 37 HA THR 37 8.841 -5.021 -5.234 292 HB THR 37 HB THR 37 9.768 -2.719 -5.661 293 HG1 THR 37 HG1 THR 37 11.730 -4.188 -7.131 294 HG21 THR 37 3HG2 THR 37 11.860 -2.949 -4.349 295 HG22 THR 37 1HG2 THR 37 11.826 -4.696 -4.603 296 HG23 THR 37 2HG2 THR 37 10.553 -3.915 -3.661 297 H MET 38 H MET 38 7.144 -3.691 -6.145 298 HA MET 38 HA MET 38 6.965 -3.400 -9.070 299 HB2 MET 38 2HB MET 38 4.820 -4.776 -7.380 300 HB3 MET 38 3HB MET 38 4.508 -4.129 -8.984 301 HG2 MET 38 2HG MET 38 6.003 -5.723 -9.990 302 HG3 MET 38 3HG MET 38 6.562 -6.267 -8.409 303 HE1 MET 38 3HE MET 38 2.332 -7.125 -10.083 304 HE2 MET 38 1HE MET 38 3.641 -6.486 -11.079 305 HE3 MET 38 2HE MET 38 2.937 -5.493 -9.803 306 H ASP 39 H ASP 39 6.621 -1.342 -9.381 307 HA ASP 39 HA ASP 39 5.260 0.335 -7.365 308 HB2 ASP 39 2HB ASP 39 6.318 2.258 -8.471 309 HB3 ASP 39 3HB ASP 39 7.531 1.066 -8.023 310 H PHE 40 H PHE 40 3.521 1.535 -7.862 311 HA PHE 40 HA PHE 40 2.293 1.427 -10.551 312 HB2 PHE 40 2HB PHE 40 0.734 1.182 -7.933 313 HB3 PHE 40 3HB PHE 40 0.082 1.083 -9.569 314 HD1 PHE 40 HD2 PHE 40 1.064 -0.834 -11.084 315 HD2 PHE 40 HD1 PHE 40 1.285 -0.827 -6.814 316 HE1 PHE 40 HE2 PHE 40 1.415 -3.266 -11.094 317 HE2 PHE 40 HE1 PHE 40 1.649 -3.256 -6.842 318 HZ PHE 40 HZ PHE 40 1.707 -4.475 -8.973 319 HA PRO 41 HA PRO 41 2.720 5.851 -9.209 320 HB2 PRO 41 2HB PRO 41 3.138 6.883 -11.707 321 HB3 PRO 41 3HB PRO 41 4.433 6.092 -10.787 322 HG2 PRO 41 2HG PRO 41 2.703 4.931 -12.959 323 HG3 PRO 41 3HG PRO 41 4.472 4.841 -12.769 324 HD2 PRO 41 2HD PRO 41 2.857 2.801 -12.017 325 HD3 PRO 41 3HD PRO 41 4.347 3.190 -11.124 326 H THR 42 H THR 42 0.640 4.249 -11.500 327 HA THR 42 HA THR 42 -1.435 6.346 -11.307 328 HB THR 42 HB THR 42 -2.167 5.732 -13.595 329 HG1 THR 42 HG1 THR 42 0.184 4.198 -13.966 330 HG21 THR 42 3HG2 THR 42 -0.519 7.565 -13.432 331 HG22 THR 42 1HG2 THR 42 -0.309 6.645 -14.922 332 HG23 THR 42 2HG2 THR 42 0.798 6.397 -13.570 333 HA PRO 43 HA PRO 43 -4.167 3.016 -9.822 334 HB2 PRO 43 2HB PRO 43 -6.367 4.405 -11.329 335 HB3 PRO 43 3HB PRO 43 -6.252 4.007 -9.601 336 HG2 PRO 43 2HG PRO 43 -5.970 6.521 -10.411 337 HG3 PRO 43 3HG PRO 43 -4.948 5.871 -9.104 338 HD2 PRO 43 2HD PRO 43 -4.252 6.272 -12.019 339 HD3 PRO 43 3HD PRO 43 -3.296 6.665 -10.569 340 H ALA 44 H ALA 44 -3.996 3.878 -13.241 341 HA ALA 44 HA ALA 44 -5.425 1.639 -14.300 342 HB1 ALA 44 3HB ALA 44 -4.418 2.257 -16.456 343 HB2 ALA 44 1HB ALA 44 -3.297 3.353 -15.634 344 HB3 ALA 44 2HB ALA 44 -5.028 3.684 -15.619 345 H ALA 45 H ALA 45 -1.941 2.323 -13.854 346 HA ALA 45 HA ALA 45 -0.831 -0.079 -14.758 347 HB1 ALA 45 3HB ALA 45 1.167 0.573 -13.469 348 HB2 ALA 45 1HB ALA 45 0.212 1.766 -12.576 349 HB3 ALA 45 2HB ALA 45 0.478 1.958 -14.307 350 H ALA 46 H ALA 46 -2.464 0.625 -11.787 351 HA ALA 46 HA ALA 46 -1.392 -1.314 -10.055 352 HB1 ALA 46 3HB ALA 46 -3.296 -0.783 -8.612 353 HB2 ALA 46 1HB ALA 46 -4.093 0.046 -9.959 354 HB3 ALA 46 2HB ALA 46 -2.590 0.680 -9.294 355 H PHE 47 H PHE 47 -3.439 -1.856 -12.747 356 HA PHE 47 HA PHE 47 -5.272 -3.775 -11.879 357 HB2 PHE 47 2HB PHE 47 -5.599 -4.385 -14.176 358 HB3 PHE 47 3HB PHE 47 -5.192 -2.676 -14.172 359 HD1 PHE 47 HD1 PHE 47 -2.629 -2.103 -14.607 360 HD2 PHE 47 HD2 PHE 47 -4.461 -5.813 -15.671 361 HE1 PHE 47 HE1 PHE 47 -0.846 -2.516 -16.248 362 HE2 PHE 47 HE2 PHE 47 -2.672 -6.225 -17.307 363 HZ PHE 47 HZ PHE 47 -0.866 -4.574 -17.598 364 H ARG 48 H ARG 48 -1.880 -4.099 -12.330 365 HA ARG 48 HA ARG 48 -1.646 -6.894 -12.693 366 HB2 ARG 48 2HB ARG 48 0.337 -4.850 -11.637 367 HB3 ARG 48 3HB ARG 48 0.753 -6.517 -12.024 368 HG2 ARG 48 2HG ARG 48 -0.022 -6.066 -14.389 369 HG3 ARG 48 3HG ARG 48 -0.171 -4.364 -13.944 370 HD2 ARG 48 2HD ARG 48 2.373 -6.021 -13.845 371 HD3 ARG 48 3HD ARG 48 1.971 -4.813 -15.065 372 HE ARG 48 HE ARG 48 1.876 -3.252 -12.984 373 HH11 ARG 48 1HH1 ARG 48 4.227 -5.832 -13.495 374 HH12 ARG 48 2HH1 ARG 48 5.466 -5.047 -12.570 375 HH21 ARG 48 1HH2 ARG 48 3.507 -2.239 -11.768 376 HH22 ARG 48 2HH2 ARG 48 5.055 -2.999 -11.586 377 H SER 49 H SER 49 -2.328 -5.044 -9.866 378 HA SER 49 HA SER 49 -2.069 -7.423 -8.158 379 HB2 SER 49 2HB SER 49 -0.907 -4.686 -7.478 380 HB3 SER 49 3HB SER 49 -0.988 -6.061 -6.375 381 HG SER 49 HG SER 49 0.192 -7.107 -8.331 382 HA PRO 50 HA PRO 50 -6.295 -5.874 -7.418 383 HB2 PRO 50 2HB PRO 50 -6.331 -7.978 -5.294 384 HB3 PRO 50 3HB PRO 50 -7.440 -7.729 -6.654 385 HG2 PRO 50 2HG PRO 50 -5.671 -9.729 -6.692 386 HG3 PRO 50 3HG PRO 50 -6.080 -8.824 -8.165 387 HD2 PRO 50 2HD PRO 50 -3.627 -8.609 -6.440 388 HD3 PRO 50 3HD PRO 50 -3.775 -8.554 -8.215 389 H LEU 51 H LEU 51 -3.976 -6.479 -4.775 390 HA LEU 51 HA LEU 51 -5.346 -5.009 -2.764 391 HB2 LEU 51 2HB LEU 51 -3.622 -6.668 -2.192 392 HB3 LEU 51 3HB LEU 51 -2.388 -5.701 -2.983 393 HG LEU 51 HG LEU 51 -2.606 -3.944 -1.263 394 HD11 LEU 51 1HD1 LEU 51 -4.989 -4.113 -0.754 395 HD12 LEU 51 2HD1 LEU 51 -4.029 -4.210 0.720 396 HD13 LEU 51 3HD1 LEU 51 -4.736 -5.673 0.031 397 HD21 LEU 51 3HD2 LEU 51 -2.272 -6.697 -0.023 398 HD22 LEU 51 1HD2 LEU 51 -1.730 -5.172 0.687 399 HD23 LEU 51 2HD2 LEU 51 -1.015 -5.745 -0.818 400 H ALA 52 H ALA 52 -2.981 -4.129 -5.242 401 HA ALA 52 HA ALA 52 -2.312 -1.514 -4.342 402 HB1 ALA 52 3HB ALA 52 -2.382 -2.570 -7.193 403 HB2 ALA 52 1HB ALA 52 -1.025 -2.707 -6.078 404 HB3 ALA 52 2HB ALA 52 -1.539 -1.117 -6.645 405 H ARG 53 H ARG 53 -4.759 -2.721 -6.587 406 HA ARG 53 HA ARG 53 -6.045 -0.356 -7.370 407 HB2 ARG 53 2HB ARG 53 -7.207 -3.161 -7.013 408 HB3 ARG 53 3HB ARG 53 -7.934 -1.879 -7.979 409 HG2 ARG 53 2HG ARG 53 -6.201 -1.971 -9.607 410 HG3 ARG 53 3HG ARG 53 -5.151 -2.914 -8.551 411 HD2 ARG 53 2HD ARG 53 -6.031 -4.319 -10.323 412 HD3 ARG 53 3HD ARG 53 -6.678 -4.845 -8.773 413 HE ARG 53 HE ARG 53 -8.542 -3.106 -9.866 414 HH11 ARG 53 1HH1 ARG 53 -7.145 -6.228 -10.757 415 HH12 ARG 53 2HH1 ARG 53 -8.557 -6.749 -11.615 416 HH21 ARG 53 1HH2 ARG 53 -10.379 -3.812 -10.980 417 HH22 ARG 53 2HH2 ARG 53 -10.400 -5.370 -11.742 418 H GLN 54 H GLN 54 -6.590 -2.496 -4.625 419 HA GLN 54 HA GLN 54 -8.921 -1.236 -3.562 420 HB2 GLN 54 2HB GLN 54 -6.909 -3.182 -2.370 421 HB3 GLN 54 3HB GLN 54 -8.368 -2.668 -1.531 422 HG2 GLN 54 2HG GLN 54 -9.785 -3.767 -3.101 423 HG3 GLN 54 3HG GLN 54 -8.454 -4.019 -4.233 424 HE21 GLN 54 1HE2 GLN 54 -8.799 -6.260 -4.308 425 HE22 GLN 54 2HE2 GLN 54 -8.404 -7.303 -2.987 426 H LEU 55 H LEU 55 -5.458 -0.836 -3.022 427 HA LEU 55 HA LEU 55 -5.679 0.971 -0.798 428 HB2 LEU 55 2HB LEU 55 -3.352 0.384 -2.666 429 HB3 LEU 55 3HB LEU 55 -3.231 1.473 -1.295 430 HG LEU 55 HG LEU 55 -3.902 -1.494 -1.075 431 HD11 LEU 55 1HD1 LEU 55 -1.601 -1.180 -1.854 432 HD12 LEU 55 2HD1 LEU 55 -1.637 -1.814 -0.212 433 HD13 LEU 55 3HD1 LEU 55 -1.267 -0.108 -0.492 434 HD21 LEU 55 3HD2 LEU 55 -3.276 0.523 1.114 435 HD22 LEU 55 1HD2 LEU 55 -3.513 -1.213 1.343 436 HD23 LEU 55 2HD2 LEU 55 -4.848 -0.209 0.783 437 H PHE 56 H PHE 56 -5.663 1.428 -4.312 438 HA PHE 56 HA PHE 56 -5.424 4.296 -4.242 439 HB2 PHE 56 2HB PHE 56 -6.301 2.343 -6.391 440 HB3 PHE 56 3HB PHE 56 -6.499 4.074 -6.636 441 HD1 PHE 56 HD1 PHE 56 -4.390 5.561 -6.353 442 HD2 PHE 56 HD2 PHE 56 -4.193 1.334 -6.925 443 HE1 PHE 56 HE1 PHE 56 -2.074 5.767 -7.132 444 HE2 PHE 56 HE2 PHE 56 -1.872 1.559 -7.701 445 HZ PHE 56 HZ PHE 56 -0.812 3.770 -7.807 446 H ARG 57 H ARG 57 -8.057 2.126 -3.643 447 HA ARG 57 HA ARG 57 -10.287 3.849 -3.993 448 HB2 ARG 57 2HB ARG 57 -9.823 1.523 -2.091 449 HB3 ARG 57 3HB ARG 57 -11.371 2.343 -2.243 450 HG2 ARG 57 2HG ARG 57 -11.578 1.629 -4.567 451 HG3 ARG 57 3HG ARG 57 -9.977 0.877 -4.504 452 HD2 ARG 57 2HD ARG 57 -11.950 -0.709 -4.235 453 HD3 ARG 57 3HD ARG 57 -10.725 -0.806 -2.969 454 HE ARG 57 HE ARG 57 -13.356 0.555 -2.692 455 HH11 ARG 57 1HH1 ARG 57 -10.676 -1.192 -1.223 456 HH12 ARG 57 2HH1 ARG 57 -11.402 -1.248 0.349 457 HH21 ARG 57 1HH2 ARG 57 -14.285 0.525 -0.601 458 HH22 ARG 57 2HH2 ARG 57 -13.457 -0.268 0.700 459 H ILE 58 H ILE 58 -7.751 3.917 -1.683 460 HA ILE 58 HA ILE 58 -9.225 5.094 0.533 461 HB ILE 58 HB ILE 58 -6.219 4.685 0.134 462 HG12 ILE 58 2HG1 ILE 58 -8.243 2.903 1.564 463 HG13 ILE 58 3HG1 ILE 58 -7.487 2.552 0.017 464 HG21 ILE 58 1HG2 ILE 58 -6.020 4.923 2.583 465 HG22 ILE 58 2HG2 ILE 58 -7.750 5.243 2.703 466 HG23 ILE 58 3HG2 ILE 58 -6.702 6.385 1.860 467 HD11 ILE 58 3HD1 ILE 58 -6.434 1.266 1.693 468 HD12 ILE 58 1HD1 ILE 58 -6.160 2.687 2.703 469 HD13 ILE 58 2HD1 ILE 58 -5.295 2.507 1.170 470 H GLU 59 H GLU 59 -9.602 7.242 0.657 471 HA GLU 59 HA GLU 59 -8.901 9.096 -1.331 472 HB2 GLU 59 2HB GLU 59 -9.909 9.583 1.502 473 HB3 GLU 59 3HB GLU 59 -9.828 10.822 0.254 474 HG2 GLU 59 2HG GLU 59 -11.431 9.485 -1.117 475 HG3 GLU 59 3HG GLU 59 -11.550 8.329 0.207 476 H GLY 60 H GLY 60 -6.887 9.770 -1.718 477 HA2 GLY 60 2HA GLY 60 -5.287 11.485 -1.075 478 HA3 GLY 60 3HA GLY 60 -5.212 10.770 0.525 479 H VAL 61 H VAL 61 -5.279 8.324 -1.821 480 HA VAL 61 HA VAL 61 -2.384 7.916 -1.580 481 HB VAL 61 HB VAL 61 -4.583 6.094 -2.665 482 HG11 VAL 61 1HG1 VAL 61 -2.883 4.298 -2.787 483 HG12 VAL 61 2HG1 VAL 61 -1.617 5.460 -2.386 484 HG13 VAL 61 3HG1 VAL 61 -2.510 5.616 -3.900 485 HG21 VAL 61 3HG2 VAL 61 -4.629 6.385 -0.222 486 HG22 VAL 61 1HG2 VAL 61 -2.926 5.931 -0.117 487 HG23 VAL 61 2HG2 VAL 61 -4.125 4.747 -0.639 488 H LYS 62 H LYS 62 -1.133 8.814 -3.005 489 HA LYS 62 HA LYS 62 -1.865 9.573 -5.697 490 HB2 LYS 62 2HB LYS 62 -0.269 10.974 -4.523 491 HB3 LYS 62 3HB LYS 62 0.775 9.603 -4.171 492 HG2 LYS 62 2HG LYS 62 1.778 10.960 -5.910 493 HG3 LYS 62 3HG LYS 62 1.310 9.400 -6.578 494 HD2 LYS 62 2HD LYS 62 0.458 10.704 -8.258 495 HD3 LYS 62 3HD LYS 62 -0.933 10.823 -7.191 496 HE2 LYS 62 2HE LYS 62 1.323 12.848 -7.388 497 HE3 LYS 62 3HE LYS 62 -0.263 13.000 -8.144 498 HZ1 LYS 62 3HZ LYS 62 0.325 12.940 -5.244 499 HZ2 LYS 62 1HZ LYS 62 -1.237 12.883 -5.897 500 HZ3 LYS 62 2HZ LYS 62 -0.262 14.241 -6.148 501 H SER 63 H SER 63 0.089 7.033 -4.168 502 HA SER 63 HA SER 63 0.007 5.358 -6.494 503 HB2 SER 63 2HB SER 63 2.501 5.289 -6.837 504 HB3 SER 63 3HB SER 63 1.791 6.854 -7.246 505 HG SER 63 HG SER 63 3.317 6.134 -4.977 506 H VAL 64 H VAL 64 1.063 3.315 -6.152 507 HA VAL 64 HA VAL 64 1.434 2.551 -3.311 508 HB VAL 64 HB VAL 64 0.005 0.961 -5.503 509 HG11 VAL 64 1HG1 VAL 64 0.610 0.119 -2.645 510 HG12 VAL 64 2HG1 VAL 64 1.305 -0.574 -4.110 511 HG13 VAL 64 3HG1 VAL 64 -0.415 -0.767 -3.777 512 HG21 VAL 64 3HG2 VAL 64 -2.001 1.146 -4.057 513 HG22 VAL 64 1HG2 VAL 64 -1.415 2.733 -4.568 514 HG23 VAL 64 2HG2 VAL 64 -1.094 2.158 -2.930 515 H PHE 65 H PHE 65 3.325 1.553 -2.935 516 HA PHE 65 HA PHE 65 4.845 0.305 -5.155 517 HB2 PHE 65 2HB PHE 65 5.962 2.413 -4.519 518 HB3 PHE 65 3HB PHE 65 5.914 1.972 -2.816 519 HD1 PHE 65 HD2 PHE 65 7.414 1.015 -6.107 520 HD2 PHE 65 HD1 PHE 65 7.710 0.684 -1.851 521 HE1 PHE 65 HE2 PHE 65 9.632 -0.024 -6.334 522 HE2 PHE 65 HE1 PHE 65 9.927 -0.358 -2.094 523 HZ PHE 65 HZ PHE 65 10.887 -0.711 -4.331 524 H PHE 66 H PHE 66 4.784 -1.850 -4.759 525 HA PHE 66 HA PHE 66 4.796 -2.874 -2.004 526 HB2 PHE 66 2HB PHE 66 4.556 -4.323 -4.673 527 HB3 PHE 66 3HB PHE 66 4.585 -5.132 -3.111 528 HD1 PHE 66 HD2 PHE 66 2.792 -3.382 -1.495 529 HD2 PHE 66 HD1 PHE 66 2.399 -4.796 -5.513 530 HE1 PHE 66 HE2 PHE 66 0.346 -3.210 -1.322 531 HE2 PHE 66 HE1 PHE 66 -0.049 -4.603 -5.321 532 HZ PHE 66 HZ PHE 66 -1.078 -3.818 -3.233 533 H GLY 67 H GLY 67 6.498 -3.748 -1.111 534 HA2 GLY 67 2HA GLY 67 9.027 -4.181 -2.585 535 HA3 GLY 67 3HA GLY 67 8.960 -3.299 -1.058 536 HA PRO 68 HA PRO 68 9.674 -7.982 -0.351 537 HB2 PRO 68 2HB PRO 68 11.964 -7.648 1.200 538 HB3 PRO 68 3HB PRO 68 11.973 -7.936 -0.547 539 HG2 PRO 68 2HG PRO 68 12.241 -5.340 0.917 540 HG3 PRO 68 3HG PRO 68 13.130 -5.929 -0.507 541 HD2 PRO 68 2HD PRO 68 11.112 -4.157 -0.764 542 HD3 PRO 68 3HD PRO 68 11.392 -5.424 -1.979 543 H ASP 69 H ASP 69 7.876 -8.124 0.905 544 HA ASP 69 HA ASP 69 6.691 -8.582 2.781 545 HB2 ASP 69 2HB ASP 69 8.831 -9.556 3.607 546 HB3 ASP 69 3HB ASP 69 9.304 -7.996 4.252 547 H SER 70 H SER 70 7.178 -5.717 1.720 548 HA SER 70 HA SER 70 5.960 -4.215 3.946 549 HB2 SER 70 2HB SER 70 7.611 -2.352 3.554 550 HB3 SER 70 3HB SER 70 8.359 -3.819 4.186 551 HG SER 70 HG SER 70 9.236 -4.234 2.231 552 H ILE 71 H ILE 71 4.731 -2.413 3.274 553 HA ILE 71 HA ILE 71 4.246 -2.065 0.353 554 HB ILE 71 HB ILE 71 2.172 -1.982 2.611 555 HG12 ILE 71 2HG1 ILE 71 2.467 -4.030 0.367 556 HG13 ILE 71 3HG1 ILE 71 2.901 -4.301 2.050 557 HG21 ILE 71 1HG2 ILE 71 0.470 -1.687 0.835 558 HG22 ILE 71 2HG2 ILE 71 1.746 -1.592 -0.376 559 HG23 ILE 71 3HG2 ILE 71 1.617 -0.344 0.866 560 HD11 ILE 71 3HD1 ILE 71 0.790 -5.330 1.512 561 HD12 ILE 71 1HD1 ILE 71 0.119 -3.778 1.007 562 HD13 ILE 71 2HD1 ILE 71 0.563 -4.047 2.696 563 H THR 72 H THR 72 5.240 -0.058 -0.028 564 HA THR 72 HA THR 72 4.996 2.077 1.969 565 HB THR 72 HB THR 72 6.673 1.931 -0.585 566 HG1 THR 72 HG1 THR 72 7.257 0.440 1.135 567 HG21 THR 72 3HG2 THR 72 6.809 3.926 1.719 568 HG22 THR 72 1HG2 THR 72 6.205 4.275 0.095 569 HG23 THR 72 2HG2 THR 72 7.904 3.866 0.336 570 H VAL 73 H VAL 73 3.369 3.506 1.696 571 HA VAL 73 HA VAL 73 1.991 3.781 -0.913 572 HB VAL 73 HB VAL 73 1.019 4.504 1.907 573 HG11 VAL 73 1HG1 VAL 73 -0.522 4.579 -0.712 574 HG12 VAL 73 2HG1 VAL 73 0.028 5.981 0.207 575 HG13 VAL 73 3HG1 VAL 73 -1.190 4.902 0.891 576 HG21 VAL 73 3HG2 VAL 73 1.138 2.054 1.598 577 HG22 VAL 73 1HG2 VAL 73 0.140 2.179 0.146 578 HG23 VAL 73 2HG2 VAL 73 -0.536 2.598 1.724 579 H THR 74 H THR 74 1.887 5.847 -1.842 580 HA THR 74 HA THR 74 3.256 8.079 -0.450 581 HB THR 74 HB THR 74 2.778 7.703 -3.444 582 HG1 THR 74 HG1 THR 74 5.362 7.714 -2.374 583 HG21 THR 74 3HG2 THR 74 4.441 9.795 -1.992 584 HG22 THR 74 1HG2 THR 74 2.904 10.092 -2.814 585 HG23 THR 74 2HG2 THR 74 4.321 9.602 -3.742 586 H LYS 75 H LYS 75 2.133 9.946 -0.137 587 HA LYS 75 HA LYS 75 -0.759 9.937 -0.407 588 HB2 LYS 75 2HB LYS 75 -0.678 11.976 0.961 589 HB3 LYS 75 3HB LYS 75 0.351 10.743 1.683 590 HG2 LYS 75 2HG LYS 75 2.345 11.848 0.645 591 HG3 LYS 75 3HG LYS 75 1.278 13.108 0.023 592 HD2 LYS 75 2HD LYS 75 2.412 13.893 2.031 593 HD3 LYS 75 3HD LYS 75 0.683 13.743 2.343 594 HE2 LYS 75 2HE LYS 75 1.006 11.751 3.632 595 HE3 LYS 75 3HE LYS 75 2.685 11.598 3.104 596 HZ1 LYS 75 3HZ LYS 75 1.664 13.870 4.725 597 HZ2 LYS 75 1HZ LYS 75 3.272 13.532 4.342 598 HZ3 LYS 75 2HZ LYS 75 2.415 12.501 5.376 599 H GLU 76 H GLU 76 -1.930 11.725 -1.378 600 HA GLU 76 HA GLU 76 -1.183 12.463 -3.988 601 HB2 GLU 76 2HB GLU 76 -3.346 13.380 -2.059 602 HB3 GLU 76 3HB GLU 76 -3.139 14.242 -3.574 603 HG2 GLU 76 2HG GLU 76 -3.492 11.238 -3.545 604 HG3 GLU 76 3HG GLU 76 -4.884 12.321 -3.460 605 H ASN 77 H ASN 77 -1.593 14.730 -1.248 606 HA ASN 77 HA ASN 77 0.693 16.343 -2.223 607 HB2 ASN 77 2HB ASN 77 -0.471 18.398 -1.538 608 HB3 ASN 77 3HB ASN 77 -1.443 17.533 -2.722 609 HD21 ASN 77 1HD2 ASN 77 -2.225 19.512 -0.680 610 HD22 ASN 77 2HD2 ASN 77 -3.461 18.750 0.252 611 H GLU 78 H GLU 78 1.710 17.595 -0.503 612 HA GLU 78 HA GLU 78 2.526 15.829 1.568 613 HB2 GLU 78 2HB GLU 78 3.242 18.781 1.297 614 HB3 GLU 78 3HB GLU 78 4.152 17.538 2.157 615 HG2 GLU 78 2HG GLU 78 4.540 16.369 -0.013 616 HG3 GLU 78 3HG GLU 78 3.719 17.691 -0.836 617 H GLU 79 H GLU 79 0.016 18.093 1.483 618 HA GLU 79 HA GLU 79 -0.003 18.978 4.213 619 HB2 GLU 79 2HB GLU 79 -0.926 20.323 2.340 620 HB3 GLU 79 3HB GLU 79 -2.165 19.105 2.063 621 HG2 GLU 79 2HG GLU 79 -3.070 21.062 3.242 622 HG3 GLU 79 3HG GLU 79 -3.180 19.614 4.242 623 H LEU 80 H LEU 80 -1.112 16.115 2.621 624 HA LEU 80 HA LEU 80 -3.208 15.353 4.430 625 HB2 LEU 80 2HB LEU 80 -1.503 13.734 2.501 626 HB3 LEU 80 3HB LEU 80 -2.833 13.043 3.422 627 HG LEU 80 HG LEU 80 -3.162 15.317 1.433 628 HD11 LEU 80 1HD1 LEU 80 -2.396 13.308 0.286 629 HD12 LEU 80 2HD1 LEU 80 -4.075 13.663 -0.108 630 HD13 LEU 80 3HD1 LEU 80 -3.693 12.365 1.031 631 HD21 LEU 80 3HD2 LEU 80 -5.563 14.794 1.564 632 HD22 LEU 80 1HD2 LEU 80 -4.925 15.274 3.136 633 HD23 LEU 80 2HD2 LEU 80 -5.243 13.570 2.796 634 H ASP 81 H ASP 81 -3.040 14.562 6.387 635 HA ASP 81 HA ASP 81 -0.513 13.668 7.541 636 HB2 ASP 81 2HB ASP 81 -2.110 15.131 8.820 637 HB3 ASP 81 3HB ASP 81 -3.303 13.838 8.775 638 H TRP 82 H TRP 82 -0.071 11.525 8.126 639 HA TRP 82 HA TRP 82 -1.225 9.555 6.438 640 HB2 TRP 82 2HB TRP 82 0.936 9.423 8.548 641 HB3 TRP 82 3HB TRP 82 0.269 7.922 7.910 642 HD1 TRP 82 HD1 TRP 82 3.063 10.151 7.240 643 HE1 TRP 82 HE1 TRP 82 3.930 9.891 4.830 644 HE3 TRP 82 HE3 TRP 82 -0.870 7.549 5.226 645 HZ2 TRP 82 HZ2 TRP 82 3.061 8.751 2.408 646 HZ3 TRP 82 HZ3 TRP 82 -0.769 6.921 2.846 647 HH2 TRP 82 HH2 TRP 82 1.161 7.510 1.471 648 H ASN 83 H ASN 83 -1.898 10.397 9.784 649 HA ASN 83 HA ASN 83 -3.059 7.936 10.616 650 HB2 ASN 83 2HB ASN 83 -3.452 10.759 11.706 651 HB3 ASN 83 3HB ASN 83 -4.155 9.322 12.446 652 HD21 ASN 83 1HD2 ASN 83 -1.159 10.979 11.716 653 HD22 ASN 83 2HD2 ASN 83 -0.183 10.108 12.847 654 H LEU 84 H LEU 84 -4.273 10.337 8.492 655 HA LEU 84 HA LEU 84 -7.096 9.843 8.793 656 HB2 LEU 84 2HB LEU 84 -5.560 10.929 6.393 657 HB3 LEU 84 3HB LEU 84 -7.301 11.028 6.621 658 HG LEU 84 HG LEU 84 -5.224 12.412 8.355 659 HD11 LEU 84 1HD1 LEU 84 -5.311 13.370 6.107 660 HD12 LEU 84 2HD1 LEU 84 -5.955 14.490 7.302 661 HD13 LEU 84 3HD1 LEU 84 -7.056 13.594 6.250 662 HD21 LEU 84 3HD2 LEU 84 -7.140 13.622 9.352 663 HD22 LEU 84 1HD2 LEU 84 -7.220 11.886 9.661 664 HD23 LEU 84 2HD2 LEU 84 -8.257 12.611 8.431 665 H LEU 85 H LEU 85 -4.622 8.827 6.443 666 HA LEU 85 HA LEU 85 -6.325 7.071 4.939 667 HB2 LEU 85 2HB LEU 85 -3.277 7.303 4.957 668 HB3 LEU 85 3HB LEU 85 -4.207 6.377 3.797 669 HG LEU 85 HG LEU 85 -5.271 8.620 3.077 670 HD11 LEU 85 1HD1 LEU 85 -4.010 10.667 3.471 671 HD12 LEU 85 2HD1 LEU 85 -2.909 9.805 4.550 672 HD13 LEU 85 3HD1 LEU 85 -4.607 9.992 4.988 673 HD21 LEU 85 3HD2 LEU 85 -3.394 9.152 1.566 674 HD22 LEU 85 1HD2 LEU 85 -3.669 7.414 1.687 675 HD23 LEU 85 2HD2 LEU 85 -2.323 8.155 2.551 676 H LYS 86 H LYS 86 -3.997 6.723 7.499 677 HA LYS 86 HA LYS 86 -3.061 4.199 7.280 678 HB2 LYS 86 2HB LYS 86 -2.226 6.025 8.746 679 HB3 LYS 86 3HB LYS 86 -3.530 5.702 9.878 680 HG2 LYS 86 2HG LYS 86 -2.597 3.556 10.427 681 HG3 LYS 86 3HG LYS 86 -1.425 3.680 9.119 682 HD2 LYS 86 2HD LYS 86 -0.344 5.600 10.235 683 HD3 LYS 86 3HD LYS 86 -1.524 5.515 11.546 684 HE2 LYS 86 2HE LYS 86 0.444 3.326 10.830 685 HE3 LYS 86 3HE LYS 86 0.653 4.491 12.136 686 HZ1 LYS 86 3HZ LYS 86 -1.660 2.655 11.966 687 HZ2 LYS 86 1HZ LYS 86 -1.182 3.596 13.283 688 HZ3 LYS 86 2HZ LYS 86 -0.238 2.276 12.795 689 HA PRO 87 HA PRO 87 -6.549 2.244 10.209 690 HB2 PRO 87 2HB PRO 87 -9.051 3.473 10.053 691 HB3 PRO 87 3HB PRO 87 -7.887 3.764 11.359 692 HG2 PRO 87 2HG PRO 87 -8.380 5.402 8.890 693 HG3 PRO 87 3HG PRO 87 -8.166 5.940 10.573 694 HD2 PRO 87 2HD PRO 87 -6.138 6.106 8.834 695 HD3 PRO 87 3HD PRO 87 -5.841 5.627 10.521 696 H ASP 88 H ASP 88 -7.359 3.928 7.175 697 HA ASP 88 HA ASP 88 -9.081 1.830 6.171 698 HB2 ASP 88 2HB ASP 88 -9.256 4.325 5.607 699 HB3 ASP 88 3HB ASP 88 -7.853 4.118 4.576 700 H ILE 89 H ILE 89 -5.676 2.754 5.792 701 HA ILE 89 HA ILE 89 -4.994 0.986 3.667 702 HB ILE 89 HB ILE 89 -3.218 2.238 5.826 703 HG12 ILE 89 2HG1 ILE 89 -3.673 2.989 2.896 704 HG13 ILE 89 3HG1 ILE 89 -4.310 3.858 4.283 705 HG21 ILE 89 1HG2 ILE 89 -2.318 0.770 3.313 706 HG22 ILE 89 2HG2 ILE 89 -2.113 0.197 4.968 707 HG23 ILE 89 3HG2 ILE 89 -1.261 1.643 4.428 708 HD11 ILE 89 3HD1 ILE 89 -1.405 3.596 3.536 709 HD12 ILE 89 1HD1 ILE 89 -2.036 4.454 4.944 710 HD13 ILE 89 2HD1 ILE 89 -2.432 5.014 3.320 711 H TYR 90 H TYR 90 -4.828 0.699 7.201 712 HA TYR 90 HA TYR 90 -3.901 -1.954 7.415 713 HB2 TYR 90 2HB TYR 90 -5.535 -0.182 9.270 714 HB3 TYR 90 3HB TYR 90 -5.179 -1.852 9.698 715 HD1 TYR 90 HD2 TYR 90 -2.956 0.737 8.074 716 HD2 TYR 90 HD1 TYR 90 -3.679 -1.735 11.485 717 HE1 TYR 90 HE2 TYR 90 -0.823 1.455 9.046 718 HE2 TYR 90 HE1 TYR 90 -1.535 -1.032 12.432 719 HH TYR 90 HH TYR 90 0.585 -0.122 11.727 720 H ALA 91 H ALA 91 -7.223 -0.648 7.379 721 HA ALA 91 HA ALA 91 -8.751 -2.932 7.616 722 HB1 ALA 91 3HB ALA 91 -9.357 -0.509 5.880 723 HB2 ALA 91 1HB ALA 91 -9.696 -0.649 7.600 724 HB3 ALA 91 2HB ALA 91 -10.541 -1.691 6.450 725 H THR 92 H THR 92 -7.658 -1.407 4.594 726 HA THR 92 HA THR 92 -8.748 -3.154 2.731 727 HB THR 92 HB THR 92 -6.285 -1.367 2.557 728 HG1 THR 92 HG1 THR 92 -7.761 0.137 2.458 729 HG21 THR 92 3HG2 THR 92 -7.871 -2.612 0.290 730 HG22 THR 92 1HG2 THR 92 -6.201 -2.995 0.717 731 HG23 THR 92 2HG2 THR 92 -6.612 -1.390 0.112 732 H ILE 93 H ILE 93 -5.440 -3.151 4.074 733 HA ILE 93 HA ILE 93 -4.394 -5.345 2.621 734 HB ILE 93 HB ILE 93 -3.532 -4.126 5.285 735 HG12 ILE 93 2HG1 ILE 93 -2.337 -3.799 2.487 736 HG13 ILE 93 3HG1 ILE 93 -3.409 -2.634 3.257 737 HG21 ILE 93 1HG2 ILE 93 -1.355 -5.275 5.013 738 HG22 ILE 93 2HG2 ILE 93 -1.979 -6.125 3.600 739 HG23 ILE 93 3HG2 ILE 93 -2.680 -6.434 5.187 740 HD11 ILE 93 3HD1 ILE 93 -0.648 -3.408 4.184 741 HD12 ILE 93 1HD1 ILE 93 -1.730 -2.291 5.022 742 HD13 ILE 93 2HD1 ILE 93 -1.131 -1.898 3.411 743 H MET 94 H MET 94 -5.884 -5.149 5.858 744 HA MET 94 HA MET 94 -5.562 -7.850 6.626 745 HB2 MET 94 2HB MET 94 -7.447 -5.657 7.555 746 HB3 MET 94 3HB MET 94 -7.529 -7.274 8.243 747 HG2 MET 94 2HG MET 94 -5.330 -7.101 9.158 748 HG3 MET 94 3HG MET 94 -4.986 -5.645 8.222 749 HE1 MET 94 3HE MET 94 -8.515 -6.130 9.915 750 HE2 MET 94 1HE MET 94 -8.193 -5.575 11.557 751 HE3 MET 94 2HE MET 94 -7.475 -7.081 10.983 752 H ASP 95 H ASP 95 -8.362 -6.194 5.097 753 HA ASP 95 HA ASP 95 -10.135 -8.352 4.905 754 HB2 ASP 95 2HB ASP 95 -9.790 -6.079 2.887 755 HB3 ASP 95 3HB ASP 95 -11.177 -7.162 2.953 756 H PHE 96 H PHE 96 -7.625 -7.273 2.697 757 HA PHE 96 HA PHE 96 -8.069 -8.907 0.482 758 HB2 PHE 96 2HB PHE 96 -6.594 -6.911 0.507 759 HB3 PHE 96 3HB PHE 96 -5.456 -7.738 1.563 760 HD1 PHE 96 HD2 PHE 96 -6.979 -7.804 -1.827 761 HD2 PHE 96 HD1 PHE 96 -3.738 -9.119 0.636 762 HE1 PHE 96 HE2 PHE 96 -5.809 -8.661 -3.797 763 HE2 PHE 96 HE1 PHE 96 -2.579 -9.969 -1.356 764 HZ PHE 96 HZ PHE 96 -3.623 -9.733 -3.573 765 H PHE 97 H PHE 97 -5.856 -9.399 3.233 766 HA PHE 97 HA PHE 97 -5.014 -12.026 2.370 767 HB2 PHE 97 2HB PHE 97 -4.439 -10.412 4.880 768 HB3 PHE 97 3HB PHE 97 -3.819 -12.048 4.648 769 HD1 PHE 97 HD1 PHE 97 -2.493 -12.494 2.428 770 HD2 PHE 97 HD2 PHE 97 -3.141 -8.579 4.025 771 HE1 PHE 97 HE1 PHE 97 -0.598 -11.638 1.118 772 HE2 PHE 97 HE2 PHE 97 -1.236 -7.737 2.709 773 HZ PHE 97 HZ PHE 97 0.035 -9.266 1.257 774 H ALA 98 H ALA 98 -7.440 -10.802 4.626 775 HA ALA 98 HA ALA 98 -8.058 -13.250 5.937 776 HB1 ALA 98 3HB ALA 98 -10.157 -12.162 6.625 777 HB2 ALA 98 1HB ALA 98 -9.880 -10.857 5.459 778 HB3 ALA 98 2HB ALA 98 -8.791 -11.069 6.828 779 H SER 99 H SER 99 -9.091 -11.810 2.902 780 HA SER 99 HA SER 99 -11.065 -13.812 2.231 781 HB2 SER 99 2HB SER 99 -9.648 -11.757 0.470 782 HB3 SER 99 3HB SER 99 -11.058 -12.711 0.001 783 HG SER 99 HG SER 99 -11.004 -10.940 2.218 784 H GLY 100 H GLY 100 -7.622 -13.356 1.845 785 HA2 GLY 100 2HA GLY 100 -5.948 -14.790 1.205 786 HA3 GLY 100 3HA GLY 100 -7.147 -16.051 0.949 787 H LEU 101 H LEU 101 -6.732 -12.822 -0.460 788 HA LEU 101 HA LEU 101 -7.129 -13.842 -3.172 789 HB2 LEU 101 2HB LEU 101 -6.729 -10.999 -2.154 790 HB3 LEU 101 3HB LEU 101 -7.133 -11.429 -3.810 791 HG LEU 101 HG LEU 101 -8.911 -11.858 -1.383 792 HD11 LEU 101 1HD1 LEU 101 -10.349 -10.124 -2.352 793 HD12 LEU 101 2HD1 LEU 101 -9.181 -9.861 -3.649 794 HD13 LEU 101 3HD1 LEU 101 -8.743 -9.498 -1.976 795 HD21 LEU 101 3HD2 LEU 101 -9.482 -12.448 -4.306 796 HD22 LEU 101 1HD2 LEU 101 -10.662 -12.522 -2.993 797 HD23 LEU 101 2HD2 LEU 101 -9.294 -13.631 -3.009 798 HA PRO 102 HA PRO 102 -2.695 -13.933 -4.123 799 HB2 PRO 102 2HB PRO 102 -2.748 -13.550 -6.860 800 HB3 PRO 102 3HB PRO 102 -3.223 -15.079 -6.095 801 HG2 PRO 102 2HG PRO 102 -4.968 -12.862 -7.098 802 HG3 PRO 102 3HG PRO 102 -5.171 -14.620 -7.274 803 HD2 PRO 102 2HD PRO 102 -6.548 -13.193 -5.415 804 HD3 PRO 102 3HD PRO 102 -6.047 -14.875 -5.132 805 H LEU 103 H LEU 103 -1.171 -12.383 -3.855 806 HA LEU 103 HA LEU 103 -1.712 -9.671 -3.572 807 HB2 LEU 103 2HB LEU 103 0.255 -11.111 -2.668 808 HB3 LEU 103 3HB LEU 103 1.065 -10.757 -4.176 809 HG LEU 103 HG LEU 103 1.808 -9.342 -2.232 810 HD11 LEU 103 1HD1 LEU 103 1.882 -7.178 -3.353 811 HD12 LEU 103 2HD1 LEU 103 0.621 -7.691 -4.476 812 HD13 LEU 103 3HD1 LEU 103 2.194 -8.491 -4.491 813 HD21 LEU 103 3HD2 LEU 103 0.393 -7.547 -1.363 814 HD22 LEU 103 1HD2 LEU 103 -0.342 -9.125 -1.071 815 HD23 LEU 103 2HD2 LEU 103 -0.952 -8.092 -2.366 816 H VAL 104 H VAL 104 -0.248 -11.389 -6.268 817 HA VAL 104 HA VAL 104 -0.678 -9.094 -8.092 818 HB VAL 104 HB VAL 104 1.613 -11.134 -8.124 819 HG11 VAL 104 1HG1 VAL 104 1.107 -8.841 -10.050 820 HG12 VAL 104 2HG1 VAL 104 0.929 -10.559 -10.413 821 HG13 VAL 104 3HG1 VAL 104 2.521 -9.897 -10.043 822 HG21 VAL 104 3HG2 VAL 104 1.917 -9.410 -6.390 823 HG22 VAL 104 1HG2 VAL 104 1.706 -8.138 -7.598 824 HG23 VAL 104 2HG2 VAL 104 3.102 -9.216 -7.682 825 H THR 105 H THR 105 -2.042 -9.572 -9.719 826 HA THR 105 HA THR 105 -2.696 -12.352 -10.433 827 HB THR 105 HB THR 105 -4.418 -11.105 -11.954 828 HG1 THR 105 HG1 THR 105 -4.763 -8.960 -11.508 829 HG21 THR 105 3HG2 THR 105 -5.997 -10.757 -10.082 830 HG22 THR 105 1HG2 THR 105 -4.661 -10.838 -8.929 831 HG23 THR 105 2HG2 THR 105 -5.100 -12.259 -9.878 832 H GLU 106 H GLU 106 -1.799 -9.290 -12.084 833 HA GLU 106 HA GLU 106 -0.800 -10.795 -14.425 834 HB2 GLU 106 2HB GLU 106 -1.200 -7.780 -14.151 835 HB3 GLU 106 3HB GLU 106 -0.908 -8.675 -15.633 836 HG2 GLU 106 2HG GLU 106 -3.409 -8.779 -13.928 837 HG3 GLU 106 3HG GLU 106 -3.243 -8.005 -15.503 838 H GLU 107 H GLU 107 1.371 -10.922 -14.816 839 HA GLU 107 HA GLU 107 3.240 -10.181 -12.820 840 HB2 GLU 107 2HB GLU 107 4.971 -11.040 -14.487 841 HB3 GLU 107 3HB GLU 107 3.711 -12.171 -14.025 842 HG2 GLU 107 2HG GLU 107 2.528 -11.699 -16.167 843 HG3 GLU 107 3HG GLU 107 3.847 -10.632 -16.638 Start of MODEL 7 1 H1 MET 1 1H MET 1 -13.211 -7.023 36.276 2 H2 MET 1 2H MET 1 -11.836 -7.446 35.392 3 H3 MET 1 3H MET 1 -12.602 -8.598 36.365 4 HA MET 1 HA MET 1 -13.087 -8.936 34.024 5 HB2 MET 1 2HB MET 1 -15.419 -8.047 35.774 6 HB3 MET 1 3HB MET 1 -15.632 -8.890 34.246 7 HG2 MET 1 2HG MET 1 -14.454 -10.836 35.140 8 HG3 MET 1 3HG MET 1 -14.195 -9.997 36.666 9 HE1 MET 1 3HE MET 1 -16.133 -9.370 38.374 10 HE2 MET 1 1HE MET 1 -17.836 -9.729 38.103 11 HE3 MET 1 2HE MET 1 -17.031 -8.494 37.133 12 H GLY 2 H GLY 2 -14.802 -8.165 32.348 13 HA2 GLY 2 2HA GLY 2 -16.005 -6.438 31.282 14 HA3 GLY 2 3HA GLY 2 -15.039 -5.230 32.115 15 H HIS 3 H HIS 3 -12.683 -5.154 31.462 16 HA HIS 3 HA HIS 3 -12.616 -5.249 28.488 17 HB2 HIS 3 2HB HIS 3 -11.139 -3.312 30.323 18 HB3 HIS 3 3HB HIS 3 -11.264 -3.222 28.565 19 HD1 HIS 3 HD1 HIS 3 -13.039 -2.321 31.694 20 HD2 HIS 3 HD2 HIS 3 -13.875 -2.421 27.616 21 HE1 HIS 3 HE1 HIS 3 -15.138 -0.968 31.400 22 HE2 HIS 3 HE2 HIS 3 -15.569 -0.962 28.917 23 H HIS 4 H HIS 4 -11.362 -6.981 30.940 24 HA HIS 4 HA HIS 4 -8.541 -6.977 30.230 25 HB2 HIS 4 2HB HIS 4 -9.206 -7.317 32.589 26 HB3 HIS 4 3HB HIS 4 -10.083 -8.778 32.149 27 HD1 HIS 4 HD1 HIS 4 -8.721 -10.938 31.898 28 HD2 HIS 4 HD2 HIS 4 -6.329 -7.590 32.503 29 HE1 HIS 4 HE1 HIS 4 -6.418 -11.825 32.355 30 HE2 HIS 4 HE2 HIS 4 -5.058 -9.803 32.961 31 H HIS 5 H HIS 5 -8.949 -7.451 28.007 32 HA HIS 5 HA HIS 5 -8.168 -10.097 27.388 33 HB2 HIS 5 2HB HIS 5 -9.973 -10.616 25.694 34 HB3 HIS 5 3HB HIS 5 -10.504 -10.727 27.363 35 HD1 HIS 5 HD1 HIS 5 -11.701 -9.621 24.241 36 HD2 HIS 5 HD2 HIS 5 -11.907 -8.089 28.101 37 HE1 HIS 5 HE1 HIS 5 -13.650 -8.040 24.232 38 HE2 HIS 5 HE2 HIS 5 -13.625 -6.974 26.511 39 H HIS 6 H HIS 6 -6.428 -9.425 26.333 40 HA HIS 6 HA HIS 6 -6.198 -6.842 25.109 41 HB2 HIS 6 2HB HIS 6 -4.188 -9.131 25.062 42 HB3 HIS 6 3HB HIS 6 -3.841 -7.429 24.778 43 HD1 HIS 6 HD1 HIS 6 -3.192 -9.774 27.218 44 HD2 HIS 6 HD2 HIS 6 -4.868 -5.974 27.402 45 HE1 HIS 6 HE1 HIS 6 -2.878 -9.020 29.589 46 HE2 HIS 6 HE2 HIS 6 -3.717 -6.653 29.622 47 H HIS 7 H HIS 7 -7.699 -9.381 23.762 48 HA HIS 7 HA HIS 7 -6.646 -9.838 21.251 49 HB2 HIS 7 2HB HIS 7 -8.528 -11.131 22.128 50 HB3 HIS 7 3HB HIS 7 -9.568 -9.713 22.090 51 HD1 HIS 7 HD1 HIS 7 -7.918 -12.215 19.785 52 HD2 HIS 7 HD2 HIS 7 -10.735 -9.158 19.603 53 HE1 HIS 7 HE1 HIS 7 -8.929 -12.353 17.492 54 HE2 HIS 7 HE2 HIS 7 -10.718 -10.602 17.461 55 H HIS 8 H HIS 8 -5.913 -8.256 20.042 56 HA HIS 8 HA HIS 8 -7.752 -6.142 19.057 57 HB2 HIS 8 2HB HIS 8 -4.690 -6.251 19.054 58 HB3 HIS 8 3HB HIS 8 -5.650 -4.948 18.357 59 HD1 HIS 8 HD1 HIS 8 -3.753 -5.544 21.263 60 HD2 HIS 8 HD2 HIS 8 -7.534 -3.952 20.607 61 HE1 HIS 8 HE1 HIS 8 -4.286 -4.213 23.318 62 HE2 HIS 8 HE2 HIS 8 -6.480 -3.100 22.807 63 H SER 9 H SER 9 -6.142 -5.712 16.647 64 HA SER 9 HA SER 9 -7.110 -7.663 14.870 65 HB2 SER 9 2HB SER 9 -4.792 -5.720 14.468 66 HB3 SER 9 3HB SER 9 -5.661 -6.572 13.192 67 HG SER 9 HG SER 9 -6.908 -4.886 13.200 68 H HIS 10 H HIS 10 -6.512 -9.777 15.001 69 HA HIS 10 HA HIS 10 -4.053 -10.808 15.980 70 HB2 HIS 10 2HB HIS 10 -4.814 -12.993 15.235 71 HB3 HIS 10 3HB HIS 10 -6.229 -12.119 15.808 72 HD1 HIS 10 HD1 HIS 10 -7.982 -11.392 13.964 73 HD2 HIS 10 HD2 HIS 10 -4.820 -13.679 12.531 74 HE1 HIS 10 HE1 HIS 10 -8.642 -12.079 11.642 75 HE2 HIS 10 HE2 HIS 10 -6.677 -13.377 10.756 76 H MET 11 H MET 11 -5.046 -9.729 12.852 77 HA MET 11 HA MET 11 -2.587 -10.498 11.471 78 HB2 MET 11 2HB MET 11 -4.914 -10.550 10.406 79 HB3 MET 11 3HB MET 11 -4.944 -8.797 10.503 80 HG2 MET 11 2HG MET 11 -2.893 -10.386 8.954 81 HG3 MET 11 3HG MET 11 -4.367 -9.713 8.258 82 HE1 MET 11 3HE MET 11 -1.585 -7.455 6.743 83 HE2 MET 11 1HE MET 11 -2.951 -8.515 6.405 84 HE3 MET 11 2HE MET 11 -1.467 -9.177 7.092 85 H PHE 12 H PHE 12 -0.980 -9.342 12.473 86 HA PHE 12 HA PHE 12 -1.354 -6.627 13.427 87 HB2 PHE 12 2HB PHE 12 1.089 -8.460 13.524 88 HB3 PHE 12 3HB PHE 12 0.979 -6.888 14.310 89 HD1 PHE 12 HD2 PHE 12 -0.810 -6.555 16.122 90 HD2 PHE 12 HD1 PHE 12 0.291 -10.422 14.658 91 HE1 PHE 12 HE2 PHE 12 -1.783 -7.598 18.127 92 HE2 PHE 12 HE1 PHE 12 -0.695 -11.455 16.669 93 HZ PHE 12 HZ PHE 12 -1.731 -10.044 18.400 94 H ILE 13 H ILE 13 -0.780 -4.825 12.349 95 HA ILE 13 HA ILE 13 1.179 -4.993 10.128 96 HB ILE 13 HB ILE 13 -1.107 -2.979 10.455 97 HG12 ILE 13 2HG1 ILE 13 -0.855 -5.275 8.444 98 HG13 ILE 13 3HG1 ILE 13 -1.924 -5.263 9.840 99 HG21 ILE 13 1HG2 ILE 13 0.864 -3.299 8.143 100 HG22 ILE 13 2HG2 ILE 13 0.848 -1.982 9.316 101 HG23 ILE 13 3HG2 ILE 13 -0.494 -2.169 8.191 102 HD11 ILE 13 3HD1 ILE 13 -3.141 -3.369 8.872 103 HD12 ILE 13 1HD1 ILE 13 -3.146 -4.794 7.833 104 HD13 ILE 13 2HD1 ILE 13 -2.086 -3.438 7.457 105 H GLN 14 H GLN 14 3.045 -3.998 10.614 106 HA GLN 14 HA GLN 14 3.215 -1.869 12.655 107 HB2 GLN 14 2HB GLN 14 4.861 -3.702 12.846 108 HB3 GLN 14 3HB GLN 14 5.343 -3.492 11.167 109 HG2 GLN 14 2HG GLN 14 6.193 -1.208 11.750 110 HG3 GLN 14 3HG GLN 14 5.824 -1.532 13.441 111 HE21 GLN 14 1HE2 GLN 14 7.925 -2.347 10.746 112 HE22 GLN 14 2HE2 GLN 14 9.143 -3.138 11.677 113 H THR 15 H THR 15 3.479 0.240 11.958 114 HA THR 15 HA THR 15 4.096 0.736 9.110 115 HB THR 15 HB THR 15 3.450 3.161 9.693 116 HG1 THR 15 HG1 THR 15 3.480 2.496 12.105 117 HG21 THR 15 3HG2 THR 15 1.291 1.034 9.919 118 HG22 THR 15 1HG2 THR 15 1.979 1.644 8.411 119 HG23 THR 15 2HG2 THR 15 1.049 2.716 9.452 120 H GLN 16 H GLN 16 5.817 1.922 8.497 121 HA GLN 16 HA GLN 16 7.761 2.905 10.456 122 HB2 GLN 16 2HB GLN 16 8.369 0.535 9.992 123 HB3 GLN 16 3HB GLN 16 8.428 0.879 8.268 124 HG2 GLN 16 2HG GLN 16 10.330 2.367 8.595 125 HG3 GLN 16 3HG GLN 16 10.245 2.151 10.344 126 HE21 GLN 16 1HE2 GLN 16 12.452 1.584 8.498 127 HE22 GLN 16 2HE2 GLN 16 12.830 -0.088 8.699 128 H ASP 17 H ASP 17 8.758 4.677 9.760 129 HA ASP 17 HA ASP 17 7.776 6.112 7.489 130 HB2 ASP 17 2HB ASP 17 9.281 7.908 8.206 131 HB3 ASP 17 3HB ASP 17 8.454 7.233 9.602 132 H THR 18 H THR 18 9.155 7.079 5.827 133 HA THR 18 HA THR 18 11.368 5.319 4.905 134 HB THR 18 HB THR 18 10.732 5.910 2.591 135 HG1 THR 18 HG1 THR 18 8.824 7.551 3.895 136 HG21 THR 18 3HG2 THR 18 9.588 3.951 3.552 137 HG22 THR 18 1HG2 THR 18 8.540 4.804 2.417 138 HG23 THR 18 2HG2 THR 18 8.294 4.993 4.154 139 HA PRO 19 HA PRO 19 14.229 8.901 4.676 140 HB2 PRO 19 2HB PRO 19 14.529 9.348 1.872 141 HB3 PRO 19 3HB PRO 19 15.550 8.327 2.899 142 HG2 PRO 19 2HG PRO 19 13.238 7.531 1.170 143 HG3 PRO 19 3HG PRO 19 14.776 6.686 1.459 144 HD2 PRO 19 2HD PRO 19 12.569 5.820 2.648 145 HD3 PRO 19 3HD PRO 19 14.086 5.899 3.577 146 H ASN 20 H ASN 20 11.238 9.089 2.815 147 HA ASN 20 HA ASN 20 11.121 12.016 3.321 148 HB2 ASN 20 2HB ASN 20 9.720 10.399 1.147 149 HB3 ASN 20 3HB ASN 20 9.424 12.109 1.470 150 HD21 ASN 20 1HD2 ASN 20 11.131 13.616 1.078 151 HD22 ASN 20 2HD2 ASN 20 12.408 13.249 -0.024 152 HA PRO 21 HA PRO 21 7.610 10.950 6.068 153 HB2 PRO 21 2HB PRO 21 6.658 13.491 6.495 154 HB3 PRO 21 3HB PRO 21 8.133 12.884 7.271 155 HG2 PRO 21 2HG PRO 21 7.871 14.596 4.820 156 HG3 PRO 21 3HG PRO 21 8.957 14.794 6.216 157 HD2 PRO 21 2HD PRO 21 9.820 13.697 3.902 158 HD3 PRO 21 3HD PRO 21 10.428 13.140 5.477 159 H ASN 22 H ASN 22 7.438 12.453 2.977 160 HA ASN 22 HA ASN 22 4.580 12.493 2.647 161 HB2 ASN 22 2HB ASN 22 6.844 12.632 0.604 162 HB3 ASN 22 3HB ASN 22 5.139 12.892 0.231 163 HD21 ASN 22 1HD2 ASN 22 4.200 14.858 0.756 164 HD22 ASN 22 2HD2 ASN 22 5.090 16.206 1.370 165 H SER 23 H SER 23 6.781 9.983 2.822 166 HA SER 23 HA SER 23 4.865 8.104 1.604 167 HB2 SER 23 2HB SER 23 7.905 7.954 1.338 168 HB3 SER 23 3HB SER 23 6.801 6.658 0.874 169 HG SER 23 HG SER 23 5.949 7.948 -0.708 170 H LEU 24 H LEU 24 4.548 6.213 2.733 171 HA LEU 24 HA LEU 24 6.009 5.693 5.243 172 HB2 LEU 24 2HB LEU 24 3.970 7.052 5.792 173 HB3 LEU 24 3HB LEU 24 2.976 5.858 4.983 174 HG LEU 24 HG LEU 24 3.718 4.163 6.714 175 HD11 LEU 24 1HD1 LEU 24 4.884 6.588 8.114 176 HD12 LEU 24 2HD1 LEU 24 5.794 5.233 7.442 177 HD13 LEU 24 3HD1 LEU 24 4.713 4.973 8.807 178 HD21 LEU 24 3HD2 LEU 24 1.538 5.285 6.865 179 HD22 LEU 24 1HD2 LEU 24 2.266 6.619 7.764 180 HD23 LEU 24 2HD2 LEU 24 2.209 5.001 8.468 181 H LYS 25 H LYS 25 6.370 3.524 5.471 182 HA LYS 25 HA LYS 25 5.098 1.724 3.492 183 HB2 LYS 25 2HB LYS 25 7.003 0.353 3.472 184 HB3 LYS 25 3HB LYS 25 7.625 1.991 3.463 185 HG2 LYS 25 2HG LYS 25 8.098 1.727 5.929 186 HG3 LYS 25 3HG LYS 25 7.647 0.025 5.764 187 HD2 LYS 25 2HD LYS 25 9.418 0.009 3.805 188 HD3 LYS 25 3HD LYS 25 10.011 1.489 4.559 189 HE2 LYS 25 2HE LYS 25 11.321 -0.338 5.384 190 HE3 LYS 25 3HE LYS 25 10.275 0.187 6.706 191 HZ1 LYS 25 3HZ LYS 25 10.331 -2.221 6.515 192 HZ2 LYS 25 1HZ LYS 25 9.781 -2.145 4.919 193 HZ3 LYS 25 2HZ LYS 25 8.782 -1.645 6.183 194 H PHE 26 H PHE 26 3.825 0.144 4.093 195 HA PHE 26 HA PHE 26 3.153 -0.244 6.935 196 HB2 PHE 26 2HB PHE 26 1.579 -0.839 4.374 197 HB3 PHE 26 3HB PHE 26 0.981 -1.101 6.009 198 HD1 PHE 26 HD2 PHE 26 2.148 1.622 3.669 199 HD2 PHE 26 HD1 PHE 26 -0.185 0.650 7.126 200 HE1 PHE 26 HE2 PHE 26 1.240 3.914 3.713 201 HE2 PHE 26 HE1 PHE 26 -1.082 2.943 7.156 202 HZ PHE 26 HZ PHE 26 -0.369 4.577 5.455 203 H ILE 27 H ILE 27 4.394 -1.966 7.662 204 HA ILE 27 HA ILE 27 4.951 -4.305 6.065 205 HB ILE 27 HB ILE 27 5.410 -3.817 9.060 206 HG12 ILE 27 2HG1 ILE 27 7.902 -3.703 8.394 207 HG13 ILE 27 3HG1 ILE 27 7.366 -3.506 6.737 208 HG21 ILE 27 1HG2 ILE 27 6.467 -6.082 7.323 209 HG22 ILE 27 2HG2 ILE 27 5.228 -6.210 8.572 210 HG23 ILE 27 3HG2 ILE 27 6.881 -5.804 9.019 211 HD11 ILE 27 3HD1 ILE 27 7.964 -1.379 7.755 212 HD12 ILE 27 1HD1 ILE 27 6.768 -1.629 9.029 213 HD13 ILE 27 2HD1 ILE 27 6.246 -1.409 7.356 214 HA PRO 28 HA PRO 28 0.886 -5.794 7.663 215 HB2 PRO 28 2HB PRO 28 0.229 -7.432 5.655 216 HB3 PRO 28 3HB PRO 28 0.325 -5.682 5.366 217 HG2 PRO 28 2HG PRO 28 2.292 -7.818 4.652 218 HG3 PRO 28 3HG PRO 28 1.778 -6.399 3.715 219 HD2 PRO 28 2HD PRO 28 4.109 -6.561 5.289 220 HD3 PRO 28 3HD PRO 28 3.370 -5.061 4.683 221 H GLY 29 H GLY 29 3.642 -7.005 8.322 222 HA2 GLY 29 2HA GLY 29 4.395 -8.837 9.505 223 HA3 GLY 29 3HA GLY 29 2.824 -9.596 9.303 224 H LYS 30 H LYS 30 2.476 -9.835 6.684 225 HA LYS 30 HA LYS 30 4.328 -11.921 5.938 226 HB2 LYS 30 2HB LYS 30 1.837 -10.895 4.503 227 HB3 LYS 30 3HB LYS 30 2.697 -12.388 4.144 228 HG2 LYS 30 2HG LYS 30 2.114 -13.269 6.380 229 HG3 LYS 30 3HG LYS 30 1.253 -11.770 6.735 230 HD2 LYS 30 2HD LYS 30 -0.263 -12.254 4.783 231 HD3 LYS 30 3HD LYS 30 0.530 -13.822 4.606 232 HE2 LYS 30 2HE LYS 30 -0.958 -12.872 7.081 233 HE3 LYS 30 3HE LYS 30 -1.605 -13.967 5.864 234 HZ1 LYS 30 3HZ LYS 30 -0.786 -15.156 7.802 235 HZ2 LYS 30 1HZ LYS 30 0.761 -14.508 7.577 236 HZ3 LYS 30 2HZ LYS 30 0.109 -15.561 6.426 237 HA PRO 31 HA PRO 31 6.745 -9.184 3.154 238 HB2 PRO 31 2HB PRO 31 7.670 -11.833 2.036 239 HB3 PRO 31 3HB PRO 31 8.630 -10.461 2.636 240 HG2 PRO 31 2HG PRO 31 8.431 -12.666 4.093 241 HG3 PRO 31 3HG PRO 31 8.370 -11.067 4.874 242 HD2 PRO 31 2HD PRO 31 6.082 -12.925 4.203 243 HD3 PRO 31 3HD PRO 31 6.383 -12.000 5.694 244 H VAL 32 H VAL 32 5.434 -8.225 1.663 245 HA VAL 32 HA VAL 32 3.366 -9.576 0.300 246 HB VAL 32 HB VAL 32 2.985 -7.411 -0.957 247 HG11 VAL 32 1HG1 VAL 32 1.860 -7.892 1.172 248 HG12 VAL 32 2HG1 VAL 32 2.213 -6.175 1.022 249 HG13 VAL 32 3HG1 VAL 32 3.208 -7.188 2.068 250 HG21 VAL 32 3HG2 VAL 32 4.244 -5.403 -0.277 251 HG22 VAL 32 1HG2 VAL 32 5.308 -6.588 -1.037 252 HG23 VAL 32 2HG2 VAL 32 5.316 -6.393 0.717 253 H LEU 33 H LEU 33 6.432 -8.239 -1.057 254 HA LEU 33 HA LEU 33 6.244 -10.302 -3.178 255 HB2 LEU 33 2HB LEU 33 7.201 -7.436 -3.550 256 HB3 LEU 33 3HB LEU 33 7.471 -8.712 -4.723 257 HG LEU 33 HG LEU 33 4.796 -7.505 -3.936 258 HD11 LEU 33 1HD1 LEU 33 4.718 -6.729 -6.269 259 HD12 LEU 33 2HD1 LEU 33 6.323 -7.404 -6.556 260 HD13 LEU 33 3HD1 LEU 33 6.113 -6.078 -5.413 261 HD21 LEU 33 3HD2 LEU 33 5.304 -9.783 -5.884 262 HD22 LEU 33 1HD2 LEU 33 3.766 -8.945 -5.642 263 HD23 LEU 33 2HD2 LEU 33 4.464 -9.895 -4.334 264 H GLU 34 H GLU 34 7.510 -11.444 -1.458 265 HA GLU 34 HA GLU 34 10.266 -10.711 -1.052 266 HB2 GLU 34 2HB GLU 34 9.017 -12.172 0.521 267 HB3 GLU 34 3HB GLU 34 8.909 -13.427 -0.707 268 HG2 GLU 34 2HG GLU 34 11.332 -13.724 -0.667 269 HG3 GLU 34 3HG GLU 34 11.517 -12.387 0.461 270 H THR 35 H THR 35 8.534 -12.198 -3.596 271 HA THR 35 HA THR 35 10.716 -13.649 -4.817 272 HB THR 35 HB THR 35 7.982 -12.969 -6.005 273 HG1 THR 35 HG1 THR 35 8.775 -14.890 -4.088 274 HG21 THR 35 3HG2 THR 35 8.295 -15.033 -7.317 275 HG22 THR 35 1HG2 THR 35 9.892 -15.271 -6.583 276 HG23 THR 35 2HG2 THR 35 9.596 -13.894 -7.642 277 H ARG 36 H ARG 36 9.292 -10.432 -5.138 278 HA ARG 36 HA ARG 36 11.330 -9.551 -7.036 279 HB2 ARG 36 2HB ARG 36 9.765 -8.820 -8.772 280 HB3 ARG 36 3HB ARG 36 9.535 -10.543 -8.496 281 HG2 ARG 36 2HG ARG 36 7.537 -10.043 -7.108 282 HG3 ARG 36 3HG ARG 36 7.759 -8.321 -7.429 283 HD2 ARG 36 2HD ARG 36 6.056 -9.139 -8.918 284 HD3 ARG 36 3HD ARG 36 7.498 -8.815 -9.888 285 HE ARG 36 HE ARG 36 7.306 -11.538 -8.973 286 HH11 ARG 36 1HH1 ARG 36 6.305 -9.352 -11.550 287 HH12 ARG 36 2HH1 ARG 36 6.032 -10.638 -12.681 288 HH21 ARG 36 1HH2 ARG 36 6.874 -13.205 -10.450 289 HH22 ARG 36 2HH2 ARG 36 6.353 -12.817 -12.062 290 H THR 37 H THR 37 10.519 -7.079 -7.702 291 HA THR 37 HA THR 37 8.911 -5.833 -5.547 292 HB THR 37 HB THR 37 10.342 -3.719 -5.829 293 HG1 THR 37 HG1 THR 37 11.574 -3.964 -7.555 294 HG21 THR 37 3HG2 THR 37 10.636 -5.106 -3.807 295 HG22 THR 37 1HG2 THR 37 12.172 -4.420 -4.334 296 HG23 THR 37 2HG2 THR 37 11.808 -6.115 -4.657 297 H MET 38 H MET 38 7.584 -4.080 -6.329 298 HA MET 38 HA MET 38 7.568 -3.408 -9.160 299 HB2 MET 38 2HB MET 38 5.147 -4.775 -7.875 300 HB3 MET 38 3HB MET 38 5.067 -3.865 -9.372 301 HG2 MET 38 2HG MET 38 7.012 -5.612 -10.042 302 HG3 MET 38 3HG MET 38 6.140 -6.585 -8.865 303 HE1 MET 38 3HE MET 38 3.398 -7.075 -9.159 304 HE2 MET 38 1HE MET 38 2.508 -6.593 -10.607 305 HE3 MET 38 2HE MET 38 3.068 -5.369 -9.463 306 H ASP 39 H ASP 39 6.279 -1.536 -9.595 307 HA ASP 39 HA ASP 39 5.155 -0.112 -7.271 308 HB2 ASP 39 2HB ASP 39 6.315 1.912 -7.640 309 HB3 ASP 39 3HB ASP 39 7.571 0.703 -7.838 310 H PHE 40 H PHE 40 3.619 1.404 -7.789 311 HA PHE 40 HA PHE 40 2.535 1.531 -10.521 312 HB2 PHE 40 2HB PHE 40 0.856 1.144 -7.995 313 HB3 PHE 40 3HB PHE 40 0.245 1.314 -9.641 314 HD1 PHE 40 HD2 PHE 40 1.158 -0.465 -11.365 315 HD2 PHE 40 HD1 PHE 40 1.114 -1.051 -7.135 316 HE1 PHE 40 HE2 PHE 40 1.262 -2.895 -11.701 317 HE2 PHE 40 HE1 PHE 40 1.230 -3.485 -7.483 318 HZ PHE 40 HZ PHE 40 1.302 -4.409 -9.762 319 HA PRO 41 HA PRO 41 3.064 5.794 -8.808 320 HB2 PRO 41 2HB PRO 41 3.578 7.023 -11.192 321 HB3 PRO 41 3HB PRO 41 4.825 6.124 -10.306 322 HG2 PRO 41 2HG PRO 41 3.176 5.238 -12.647 323 HG3 PRO 41 3HG PRO 41 4.915 5.014 -12.350 324 HD2 PRO 41 2HD PRO 41 3.068 3.053 -11.901 325 HD3 PRO 41 3HD PRO 41 4.577 3.189 -10.970 326 H THR 42 H THR 42 0.977 4.414 -11.202 327 HA THR 42 HA THR 42 -0.995 6.610 -10.979 328 HB THR 42 HB THR 42 -1.654 6.085 -13.346 329 HG1 THR 42 HG1 THR 42 0.738 4.714 -13.825 330 HG21 THR 42 3HG2 THR 42 1.283 6.832 -13.065 331 HG22 THR 42 1HG2 THR 42 -0.079 7.951 -12.958 332 HG23 THR 42 2HG2 THR 42 0.274 7.134 -14.480 333 HA PRO 43 HA PRO 43 -3.884 3.311 -9.714 334 HB2 PRO 43 2HB PRO 43 -6.238 4.483 -10.695 335 HB3 PRO 43 3HB PRO 43 -5.500 4.844 -9.126 336 HG2 PRO 43 2HG PRO 43 -5.280 6.368 -11.694 337 HG3 PRO 43 3HG PRO 43 -5.473 6.974 -10.033 338 HD2 PRO 43 2HD PRO 43 -3.081 7.023 -11.243 339 HD3 PRO 43 3HD PRO 43 -3.217 6.656 -9.509 340 H ALA 44 H ALA 44 -3.708 4.541 -13.027 341 HA ALA 44 HA ALA 44 -5.227 2.582 -14.379 342 HB1 ALA 44 3HB ALA 44 -4.029 3.312 -16.403 343 HB2 ALA 44 1HB ALA 44 -2.840 4.159 -15.405 344 HB3 ALA 44 2HB ALA 44 -4.519 4.697 -15.428 345 H ALA 45 H ALA 45 -1.770 2.705 -13.522 346 HA ALA 45 HA ALA 45 -0.991 0.291 -14.848 347 HB1 ALA 45 3HB ALA 45 1.142 0.570 -13.635 348 HB2 ALA 45 1HB ALA 45 0.412 1.828 -12.629 349 HB3 ALA 45 2HB ALA 45 0.616 2.087 -14.361 350 H ALA 46 H ALA 46 -2.604 0.885 -11.881 351 HA ALA 46 HA ALA 46 -1.486 -1.141 -10.217 352 HB1 ALA 46 3HB ALA 46 -2.521 0.882 -9.335 353 HB2 ALA 46 1HB ALA 46 -3.288 -0.556 -8.660 354 HB3 ALA 46 2HB ALA 46 -4.099 0.363 -9.932 355 H PHE 47 H PHE 47 -3.458 -1.606 -12.862 356 HA PHE 47 HA PHE 47 -5.376 -3.470 -11.972 357 HB2 PHE 47 2HB PHE 47 -5.830 -3.941 -14.297 358 HB3 PHE 47 3HB PHE 47 -5.488 -2.228 -14.140 359 HD1 PHE 47 HD1 PHE 47 -2.682 -1.848 -14.375 360 HD2 PHE 47 HD2 PHE 47 -5.076 -4.784 -16.342 361 HE1 PHE 47 HE1 PHE 47 -1.017 -1.996 -16.179 362 HE2 PHE 47 HE2 PHE 47 -3.404 -4.937 -18.144 363 HZ PHE 47 HZ PHE 47 -1.374 -3.540 -18.064 364 H ARG 48 H ARG 48 -2.079 -3.978 -11.981 365 HA ARG 48 HA ARG 48 -2.117 -6.815 -12.632 366 HB2 ARG 48 2HB ARG 48 0.109 -5.123 -11.437 367 HB3 ARG 48 3HB ARG 48 0.285 -6.737 -12.114 368 HG2 ARG 48 2HG ARG 48 -0.492 -4.250 -13.682 369 HG3 ARG 48 3HG ARG 48 1.117 -4.964 -13.633 370 HD2 ARG 48 2HD ARG 48 0.048 -5.630 -15.688 371 HD3 ARG 48 3HD ARG 48 0.170 -7.046 -14.639 372 HE ARG 48 HE ARG 48 -2.332 -5.635 -14.428 373 HH11 ARG 48 1HH1 ARG 48 -0.693 -8.114 -16.300 374 HH12 ARG 48 2HH1 ARG 48 -2.173 -8.882 -16.778 375 HH21 ARG 48 1HH2 ARG 48 -4.246 -6.762 -14.951 376 HH22 ARG 48 2HH2 ARG 48 -4.160 -8.126 -16.022 377 H SER 49 H SER 49 -2.239 -4.810 -9.770 378 HA SER 49 HA SER 49 -2.311 -7.203 -8.016 379 HB2 SER 49 2HB SER 49 -0.343 -5.892 -7.444 380 HB3 SER 49 3HB SER 49 -1.278 -4.396 -7.418 381 HG SER 49 HG SER 49 -1.102 -6.437 -5.530 382 HA PRO 50 HA PRO 50 -6.618 -5.816 -7.311 383 HB2 PRO 50 2HB PRO 50 -6.488 -7.696 -4.974 384 HB3 PRO 50 3HB PRO 50 -7.622 -7.663 -6.341 385 HG2 PRO 50 2HG PRO 50 -5.739 -9.548 -6.154 386 HG3 PRO 50 3HG PRO 50 -6.233 -8.878 -7.727 387 HD2 PRO 50 2HD PRO 50 -3.771 -8.276 -6.100 388 HD3 PRO 50 3HD PRO 50 -3.942 -8.475 -7.861 389 H LEU 51 H LEU 51 -4.190 -6.244 -4.752 390 HA LEU 51 HA LEU 51 -5.456 -4.687 -2.756 391 HB2 LEU 51 2HB LEU 51 -3.717 -6.391 -2.294 392 HB3 LEU 51 3HB LEU 51 -2.514 -5.394 -3.094 393 HG LEU 51 HG LEU 51 -2.682 -3.701 -1.327 394 HD11 LEU 51 1HD1 LEU 51 -4.066 -4.017 0.684 395 HD12 LEU 51 2HD1 LEU 51 -4.810 -5.444 -0.041 396 HD13 LEU 51 3HD1 LEU 51 -5.052 -3.855 -0.768 397 HD21 LEU 51 3HD2 LEU 51 -1.760 -5.000 0.560 398 HD22 LEU 51 1HD2 LEU 51 -1.098 -5.539 -0.982 399 HD23 LEU 51 2HD2 LEU 51 -2.341 -6.495 -0.173 400 H ALA 52 H ALA 52 -3.090 -3.942 -5.300 401 HA ALA 52 HA ALA 52 -2.420 -1.289 -4.572 402 HB1 ALA 52 3HB ALA 52 -2.561 -2.461 -7.371 403 HB2 ALA 52 1HB ALA 52 -1.182 -2.574 -6.280 404 HB3 ALA 52 2HB ALA 52 -1.687 -1.001 -6.895 405 H ARG 53 H ARG 53 -4.908 -2.551 -6.780 406 HA ARG 53 HA ARG 53 -6.119 -0.138 -7.539 407 HB2 ARG 53 2HB ARG 53 -7.093 -3.008 -7.418 408 HB3 ARG 53 3HB ARG 53 -8.200 -1.719 -7.883 409 HG2 ARG 53 2HG ARG 53 -6.916 -1.176 -9.828 410 HG3 ARG 53 3HG ARG 53 -5.563 -2.177 -9.303 411 HD2 ARG 53 2HD ARG 53 -8.293 -3.353 -9.929 412 HD3 ARG 53 3HD ARG 53 -7.048 -3.127 -11.156 413 HE ARG 53 HE ARG 53 -5.971 -4.543 -8.960 414 HH11 ARG 53 1HH1 ARG 53 -8.171 -5.062 -11.665 415 HH12 ARG 53 2HH1 ARG 53 -7.841 -6.759 -11.769 416 HH21 ARG 53 1HH2 ARG 53 -5.490 -6.778 -9.145 417 HH22 ARG 53 2HH2 ARG 53 -6.312 -7.742 -10.328 418 H GLN 54 H GLN 54 -6.756 -2.250 -4.755 419 HA GLN 54 HA GLN 54 -9.065 -0.913 -3.754 420 HB2 GLN 54 2HB GLN 54 -7.006 -2.631 -2.309 421 HB3 GLN 54 3HB GLN 54 -8.546 -2.134 -1.618 422 HG2 GLN 54 2HG GLN 54 -9.758 -3.454 -3.262 423 HG3 GLN 54 3HG GLN 54 -8.259 -3.871 -4.084 424 HE21 GLN 54 1HE2 GLN 54 -6.827 -4.260 -1.487 425 HE22 GLN 54 2HE2 GLN 54 -7.380 -5.780 -0.898 426 H LEU 55 H LEU 55 -5.597 -0.553 -3.168 427 HA LEU 55 HA LEU 55 -5.793 1.367 -1.062 428 HB2 LEU 55 2HB LEU 55 -3.453 0.661 -2.872 429 HB3 LEU 55 3HB LEU 55 -3.336 1.752 -1.502 430 HG LEU 55 HG LEU 55 -4.046 -1.207 -1.323 431 HD11 LEU 55 1HD1 LEU 55 -1.703 -0.882 -1.967 432 HD12 LEU 55 2HD1 LEU 55 -1.823 -1.525 -0.332 433 HD13 LEU 55 3HD1 LEU 55 -1.450 0.183 -0.580 434 HD21 LEU 55 3HD2 LEU 55 -5.120 0.056 0.470 435 HD22 LEU 55 1HD2 LEU 55 -3.580 0.800 0.908 436 HD23 LEU 55 2HD2 LEU 55 -3.819 -0.938 1.116 437 H PHE 56 H PHE 56 -5.499 1.623 -4.586 438 HA PHE 56 HA PHE 56 -5.248 4.491 -4.641 439 HB2 PHE 56 2HB PHE 56 -5.768 2.376 -6.737 440 HB3 PHE 56 3HB PHE 56 -6.034 4.066 -7.146 441 HD1 PHE 56 HD1 PHE 56 -4.069 5.713 -6.593 442 HD2 PHE 56 HD2 PHE 56 -3.574 1.497 -7.048 443 HE1 PHE 56 HE1 PHE 56 -1.692 6.036 -7.099 444 HE2 PHE 56 HE2 PHE 56 -1.188 1.833 -7.550 445 HZ PHE 56 HZ PHE 56 -0.250 4.107 -7.573 446 H ARG 57 H ARG 57 -7.934 2.375 -4.207 447 HA ARG 57 HA ARG 57 -10.000 4.308 -4.821 448 HB2 ARG 57 2HB ARG 57 -10.024 1.700 -3.257 449 HB3 ARG 57 3HB ARG 57 -11.463 2.675 -3.534 450 HG2 ARG 57 2HG ARG 57 -11.335 2.317 -5.928 451 HG3 ARG 57 3HG ARG 57 -9.772 1.504 -5.766 452 HD2 ARG 57 2HD ARG 57 -11.649 -0.102 -6.064 453 HD3 ARG 57 3HD ARG 57 -10.810 -0.333 -4.524 454 HE ARG 57 HE ARG 57 -13.264 1.305 -4.611 455 HH11 ARG 57 1HH1 ARG 57 -11.725 -1.687 -3.572 456 HH12 ARG 57 2HH1 ARG 57 -12.987 -2.099 -2.457 457 HH21 ARG 57 1HH2 ARG 57 -14.889 0.812 -3.108 458 HH22 ARG 57 2HH2 ARG 57 -14.813 -0.660 -2.192 459 H ILE 58 H ILE 58 -7.794 3.978 -2.275 460 HA ILE 58 HA ILE 58 -9.407 5.210 -0.180 461 HB ILE 58 HB ILE 58 -6.426 4.508 -0.237 462 HG12 ILE 58 2HG1 ILE 58 -8.784 2.986 0.974 463 HG13 ILE 58 3HG1 ILE 58 -7.851 2.504 -0.434 464 HG21 ILE 58 1HG2 ILE 58 -8.142 5.316 2.145 465 HG22 ILE 58 2HG2 ILE 58 -6.885 6.299 1.392 466 HG23 ILE 58 3HG2 ILE 58 -6.455 4.801 2.217 467 HD11 ILE 58 3HD1 ILE 58 -5.869 2.246 1.014 468 HD12 ILE 58 1HD1 ILE 58 -7.215 1.190 1.439 469 HD13 ILE 58 2HD1 ILE 58 -6.887 2.622 2.412 470 H GLU 59 H GLU 59 -9.663 7.315 -0.101 471 HA GLU 59 HA GLU 59 -8.515 9.215 -1.827 472 HB2 GLU 59 2HB GLU 59 -9.979 9.650 0.807 473 HB3 GLU 59 3HB GLU 59 -9.715 10.879 -0.426 474 HG2 GLU 59 2HG GLU 59 -11.111 9.565 -2.006 475 HG3 GLU 59 3HG GLU 59 -11.385 8.364 -0.749 476 H GLY 60 H GLY 60 -6.470 9.874 -1.770 477 HA2 GLY 60 2HA GLY 60 -4.952 11.343 -0.391 478 HA3 GLY 60 3HA GLY 60 -5.007 10.056 0.809 479 H VAL 61 H VAL 61 -5.053 8.108 -1.617 480 HA VAL 61 HA VAL 61 -2.178 7.687 -1.543 481 HB VAL 61 HB VAL 61 -4.447 5.997 -2.691 482 HG11 VAL 61 1HG1 VAL 61 -1.494 5.279 -2.466 483 HG12 VAL 61 2HG1 VAL 61 -2.412 5.509 -3.956 484 HG13 VAL 61 3HG1 VAL 61 -2.791 4.158 -2.892 485 HG21 VAL 61 3HG2 VAL 61 -4.036 4.551 -0.719 486 HG22 VAL 61 1HG2 VAL 61 -4.482 6.188 -0.239 487 HG23 VAL 61 2HG2 VAL 61 -2.798 5.672 -0.147 488 H LYS 62 H LYS 62 -0.864 8.435 -3.018 489 HA LYS 62 HA LYS 62 -1.748 9.316 -5.684 490 HB2 LYS 62 2HB LYS 62 -0.363 10.808 -4.174 491 HB3 LYS 62 3HB LYS 62 0.960 9.664 -4.317 492 HG2 LYS 62 2HG LYS 62 1.362 11.535 -5.784 493 HG3 LYS 62 3HG LYS 62 1.030 10.111 -6.776 494 HD2 LYS 62 2HD LYS 62 -1.299 10.896 -7.110 495 HD3 LYS 62 3HD LYS 62 -0.967 12.312 -6.106 496 HE2 LYS 62 2HE LYS 62 -0.861 12.922 -8.455 497 HE3 LYS 62 3HE LYS 62 0.751 13.040 -7.751 498 HZ1 LYS 62 3HZ LYS 62 -0.252 10.758 -9.362 499 HZ2 LYS 62 1HZ LYS 62 1.318 10.939 -8.756 500 HZ3 LYS 62 2HZ LYS 62 0.738 11.998 -9.940 501 H SER 63 H SER 63 0.453 7.070 -4.082 502 HA SER 63 HA SER 63 0.874 5.510 -6.500 503 HB2 SER 63 2HB SER 63 3.219 6.795 -5.012 504 HB3 SER 63 3HB SER 63 3.370 5.593 -6.293 505 HG SER 63 HG SER 63 1.865 7.413 -7.336 506 H VAL 64 H VAL 64 1.285 3.392 -6.046 507 HA VAL 64 HA VAL 64 1.692 2.544 -3.231 508 HB VAL 64 HB VAL 64 0.179 1.064 -5.455 509 HG11 VAL 64 1HG1 VAL 64 -0.289 -0.688 -3.769 510 HG12 VAL 64 2HG1 VAL 64 0.761 0.136 -2.613 511 HG13 VAL 64 3HG1 VAL 64 1.437 -0.539 -4.096 512 HG21 VAL 64 3HG2 VAL 64 -0.861 2.232 -2.841 513 HG22 VAL 64 1HG2 VAL 64 -1.811 1.309 -4.011 514 HG23 VAL 64 2HG2 VAL 64 -1.147 2.880 -4.457 515 H PHE 65 H PHE 65 3.534 1.468 -2.896 516 HA PHE 65 HA PHE 65 4.983 0.216 -5.166 517 HB2 PHE 65 2HB PHE 65 6.260 2.178 -4.507 518 HB3 PHE 65 3HB PHE 65 6.090 1.801 -2.795 519 HD1 PHE 65 HD2 PHE 65 7.516 0.306 -5.948 520 HD2 PHE 65 HD1 PHE 65 7.898 0.716 -1.713 521 HE1 PHE 65 HE2 PHE 65 9.631 -0.945 -6.012 522 HE2 PHE 65 HE1 PHE 65 10.007 -0.542 -1.787 523 HZ PHE 65 HZ PHE 65 10.879 -1.372 -3.934 524 H PHE 66 H PHE 66 5.236 -1.917 -4.861 525 HA PHE 66 HA PHE 66 4.953 -3.080 -2.162 526 HB2 PHE 66 2HB PHE 66 4.817 -4.356 -4.928 527 HB3 PHE 66 3HB PHE 66 4.744 -5.261 -3.421 528 HD1 PHE 66 HD2 PHE 66 2.887 -4.502 -1.711 529 HD2 PHE 66 HD1 PHE 66 2.794 -3.659 -5.896 530 HE1 PHE 66 HE2 PHE 66 0.452 -4.165 -1.590 531 HE2 PHE 66 HE1 PHE 66 0.364 -3.315 -5.768 532 HZ PHE 66 HZ PHE 66 -0.818 -3.570 -3.619 533 H GLY 67 H GLY 67 6.691 -3.517 -1.145 534 HA2 GLY 67 2HA GLY 67 9.329 -3.814 -2.429 535 HA3 GLY 67 3HA GLY 67 9.019 -3.322 -0.766 536 HA PRO 68 HA PRO 68 10.036 -7.997 -1.133 537 HB2 PRO 68 2HB PRO 68 12.071 -7.981 0.762 538 HB3 PRO 68 3HB PRO 68 12.328 -7.772 -0.981 539 HG2 PRO 68 2HG PRO 68 12.138 -5.679 1.156 540 HG3 PRO 68 3HG PRO 68 13.273 -5.800 -0.209 541 HD2 PRO 68 2HD PRO 68 11.160 -4.139 -0.306 542 HD3 PRO 68 3HD PRO 68 11.711 -5.007 -1.756 543 H ASP 69 H ASP 69 9.552 -5.822 1.608 544 HA ASP 69 HA ASP 69 8.390 -8.022 3.234 545 HB2 ASP 69 2HB ASP 69 9.262 -6.955 5.239 546 HB3 ASP 69 3HB ASP 69 10.584 -7.166 4.099 547 H SER 70 H SER 70 7.928 -4.745 2.045 548 HA SER 70 HA SER 70 5.433 -4.432 3.604 549 HB2 SER 70 2HB SER 70 6.191 -2.094 4.242 550 HB3 SER 70 3HB SER 70 7.107 -3.394 4.998 551 HG SER 70 HG SER 70 8.712 -3.097 3.355 552 H ILE 71 H ILE 71 4.417 -2.199 3.009 553 HA ILE 71 HA ILE 71 4.380 -1.899 0.050 554 HB ILE 71 HB ILE 71 2.022 -1.465 1.971 555 HG12 ILE 71 2HG1 ILE 71 2.464 -3.900 0.175 556 HG13 ILE 71 3HG1 ILE 71 2.714 -3.884 1.916 557 HG21 ILE 71 1HG2 ILE 71 1.855 -0.161 -0.109 558 HG22 ILE 71 2HG2 ILE 71 0.641 -1.437 -0.093 559 HG23 ILE 71 3HG2 ILE 71 2.093 -1.618 -1.077 560 HD11 ILE 71 3HD1 ILE 71 0.600 -4.893 1.339 561 HD12 ILE 71 1HD1 ILE 71 0.089 -3.418 0.518 562 HD13 ILE 71 2HD1 ILE 71 0.352 -3.412 2.264 563 H THR 72 H THR 72 5.407 0.100 -0.339 564 HA THR 72 HA THR 72 5.234 2.221 1.666 565 HB THR 72 HB THR 72 6.824 2.063 -0.945 566 HG1 THR 72 HG1 THR 72 7.241 0.623 1.101 567 HG21 THR 72 3HG2 THR 72 7.078 3.993 1.401 568 HG22 THR 72 1HG2 THR 72 6.487 4.395 -0.210 569 HG23 THR 72 2HG2 THR 72 8.167 3.909 0.014 570 H VAL 73 H VAL 73 3.533 3.568 1.471 571 HA VAL 73 HA VAL 73 2.248 4.038 -1.149 572 HB VAL 73 HB VAL 73 1.144 4.437 1.691 573 HG11 VAL 73 1HG1 VAL 73 -1.008 4.992 0.621 574 HG12 VAL 73 2HG1 VAL 73 -0.258 4.884 -0.973 575 HG13 VAL 73 3HG1 VAL 73 0.250 6.137 0.160 576 HG21 VAL 73 3HG2 VAL 73 1.261 2.054 1.072 577 HG22 VAL 73 1HG2 VAL 73 0.363 2.372 -0.415 578 HG23 VAL 73 2HG2 VAL 73 -0.417 2.589 1.156 579 H THR 74 H THR 74 2.233 6.138 -1.903 580 HA THR 74 HA THR 74 3.545 8.254 -0.301 581 HB THR 74 HB THR 74 3.167 8.079 -3.339 582 HG1 THR 74 HG1 THR 74 5.668 7.969 -2.951 583 HG21 THR 74 3HG2 THR 74 4.767 9.956 -3.436 584 HG22 THR 74 1HG2 THR 74 4.801 10.029 -1.673 585 HG23 THR 74 2HG2 THR 74 3.314 10.412 -2.547 586 H LYS 75 H LYS 75 2.379 10.092 0.148 587 HA LYS 75 HA LYS 75 -0.481 10.146 -0.366 588 HB2 LYS 75 2HB LYS 75 -0.514 12.146 1.079 589 HB3 LYS 75 3HB LYS 75 0.394 10.851 1.854 590 HG2 LYS 75 2HG LYS 75 2.519 11.955 1.107 591 HG3 LYS 75 3HG LYS 75 1.551 13.273 0.445 592 HD2 LYS 75 2HD LYS 75 2.394 13.964 2.606 593 HD3 LYS 75 3HD LYS 75 0.655 13.727 2.740 594 HE2 LYS 75 2HE LYS 75 0.976 11.606 3.865 595 HE3 LYS 75 3HE LYS 75 2.719 11.672 3.597 596 HZ1 LYS 75 3HZ LYS 75 2.088 12.317 5.862 597 HZ2 LYS 75 1HZ LYS 75 1.179 13.604 5.255 598 HZ3 LYS 75 2HZ LYS 75 2.854 13.582 5.047 599 H GLU 76 H GLU 76 -1.561 11.942 -1.396 600 HA GLU 76 HA GLU 76 -0.453 12.632 -3.916 601 HB2 GLU 76 2HB GLU 76 -2.930 13.778 -2.565 602 HB3 GLU 76 3HB GLU 76 -2.522 13.953 -4.271 603 HG2 GLU 76 2HG GLU 76 -2.670 11.490 -4.549 604 HG3 GLU 76 3HG GLU 76 -3.112 11.340 -2.851 605 H ASN 77 H ASN 77 -1.092 14.582 -1.051 606 HA ASN 77 HA ASN 77 1.141 16.327 -1.725 607 HB2 ASN 77 2HB ASN 77 -0.257 18.398 -1.080 608 HB3 ASN 77 3HB ASN 77 -0.505 17.724 -2.676 609 HD21 ASN 77 1HD2 ASN 77 -1.987 16.475 0.346 610 HD22 ASN 77 2HD2 ASN 77 -3.596 16.896 -0.104 611 H GLU 78 H GLU 78 1.921 17.567 0.085 612 HA GLU 78 HA GLU 78 2.275 16.024 2.391 613 HB2 GLU 78 2HB GLU 78 3.877 17.732 1.534 614 HB3 GLU 78 3HB GLU 78 2.784 19.012 2.045 615 HG2 GLU 78 2HG GLU 78 3.068 18.271 4.405 616 HG3 GLU 78 3HG GLU 78 4.222 17.051 3.871 617 H GLU 79 H GLU 79 -0.075 18.455 1.648 618 HA GLU 79 HA GLU 79 -1.186 19.346 3.979 619 HB2 GLU 79 2HB GLU 79 -2.014 20.049 1.810 620 HB3 GLU 79 3HB GLU 79 -2.470 18.407 1.386 621 HG2 GLU 79 2HG GLU 79 -4.171 18.537 3.290 622 HG3 GLU 79 3HG GLU 79 -3.833 20.267 3.339 623 H LEU 80 H LEU 80 -1.635 16.165 2.460 624 HA LEU 80 HA LEU 80 -3.660 15.160 4.186 625 HB2 LEU 80 2HB LEU 80 -1.673 13.779 2.350 626 HB3 LEU 80 3HB LEU 80 -3.020 12.961 3.126 627 HG LEU 80 HG LEU 80 -3.372 15.273 1.192 628 HD11 LEU 80 1HD1 LEU 80 -3.440 12.308 0.607 629 HD12 LEU 80 2HD1 LEU 80 -2.253 13.475 0.022 630 HD13 LEU 80 3HD1 LEU 80 -3.926 13.582 -0.513 631 HD21 LEU 80 3HD2 LEU 80 -5.366 13.220 2.199 632 HD22 LEU 80 1HD2 LEU 80 -5.687 14.489 1.013 633 HD23 LEU 80 2HD2 LEU 80 -5.290 14.918 2.674 634 H ASP 81 H ASP 81 -3.343 14.614 6.228 635 HA ASP 81 HA ASP 81 -0.754 13.740 7.257 636 HB2 ASP 81 2HB ASP 81 -2.221 15.141 8.670 637 HB3 ASP 81 3HB ASP 81 -3.474 13.903 8.625 638 H TRP 82 H TRP 82 -0.240 11.636 7.878 639 HA TRP 82 HA TRP 82 -1.319 9.577 6.299 640 HB2 TRP 82 2HB TRP 82 0.748 9.619 8.505 641 HB3 TRP 82 3HB TRP 82 0.154 8.066 7.925 642 HD1 TRP 82 HD1 TRP 82 2.968 10.230 7.313 643 HE1 TRP 82 HE1 TRP 82 3.960 9.884 4.966 644 HE3 TRP 82 HE3 TRP 82 -0.904 7.658 5.138 645 HZ2 TRP 82 HZ2 TRP 82 3.213 8.696 2.527 646 HZ3 TRP 82 HZ3 TRP 82 -0.678 6.957 2.790 647 HH2 TRP 82 HH2 TRP 82 1.340 7.468 1.514 648 H ASN 83 H ASN 83 -2.086 10.537 9.584 649 HA ASN 83 HA ASN 83 -3.196 8.075 10.468 650 HB2 ASN 83 2HB ASN 83 -3.633 10.917 11.460 651 HB3 ASN 83 3HB ASN 83 -4.329 9.507 12.251 652 HD21 ASN 83 1HD2 ASN 83 -1.346 11.171 11.487 653 HD22 ASN 83 2HD2 ASN 83 -0.364 10.344 12.637 654 H LEU 84 H LEU 84 -4.458 10.425 8.312 655 HA LEU 84 HA LEU 84 -7.257 9.825 8.563 656 HB2 LEU 84 2HB LEU 84 -5.725 10.917 6.159 657 HB3 LEU 84 3HB LEU 84 -7.463 10.996 6.390 658 HG LEU 84 HG LEU 84 -5.381 12.473 8.051 659 HD11 LEU 84 1HD1 LEU 84 -6.237 14.511 6.975 660 HD12 LEU 84 2HD1 LEU 84 -7.329 13.543 5.984 661 HD13 LEU 84 3HD1 LEU 84 -5.583 13.384 5.787 662 HD21 LEU 84 3HD2 LEU 84 -7.314 11.910 9.442 663 HD22 LEU 84 1HD2 LEU 84 -8.413 12.598 8.242 664 HD23 LEU 84 2HD2 LEU 84 -7.284 13.639 9.112 665 H LEU 85 H LEU 85 -4.573 8.689 6.546 666 HA LEU 85 HA LEU 85 -6.159 6.885 4.944 667 HB2 LEU 85 2HB LEU 85 -3.128 7.257 5.075 668 HB3 LEU 85 3HB LEU 85 -3.972 6.234 3.930 669 HG LEU 85 HG LEU 85 -5.175 8.430 3.169 670 HD11 LEU 85 1HD1 LEU 85 -3.880 10.491 3.405 671 HD12 LEU 85 2HD1 LEU 85 -2.763 9.675 4.504 672 HD13 LEU 85 3HD1 LEU 85 -4.454 9.894 4.961 673 HD21 LEU 85 3HD2 LEU 85 -3.673 7.175 1.745 674 HD22 LEU 85 1HD2 LEU 85 -2.265 7.905 2.514 675 HD23 LEU 85 2HD2 LEU 85 -3.358 8.896 1.549 676 H LYS 86 H LYS 86 -3.762 6.538 7.579 677 HA LYS 86 HA LYS 86 -2.969 3.953 7.254 678 HB2 LYS 86 2HB LYS 86 -3.221 5.486 9.870 679 HB3 LYS 86 3HB LYS 86 -2.403 3.930 9.730 680 HG2 LYS 86 2HG LYS 86 -0.757 4.872 8.199 681 HG3 LYS 86 3HG LYS 86 -1.626 6.407 8.166 682 HD2 LYS 86 2HD LYS 86 0.279 6.639 9.640 683 HD3 LYS 86 3HD LYS 86 -1.187 6.665 10.617 684 HE2 LYS 86 2HE LYS 86 -0.817 4.296 11.227 685 HE3 LYS 86 3HE LYS 86 0.642 4.274 10.237 686 HZ1 LYS 86 3HZ LYS 86 1.230 4.586 12.523 687 HZ2 LYS 86 1HZ LYS 86 0.196 5.915 12.667 688 HZ3 LYS 86 2HZ LYS 86 1.556 6.016 11.683 689 HA PRO 87 HA PRO 87 -6.382 2.034 10.205 690 HB2 PRO 87 2HB PRO 87 -8.784 3.402 10.463 691 HB3 PRO 87 3HB PRO 87 -7.444 3.553 11.616 692 HG2 PRO 87 2HG PRO 87 -8.166 5.360 9.334 693 HG3 PRO 87 3HG PRO 87 -7.714 5.785 11.000 694 HD2 PRO 87 2HD PRO 87 -5.930 5.955 8.988 695 HD3 PRO 87 3HD PRO 87 -5.430 5.412 10.612 696 H ASP 88 H ASP 88 -7.354 3.985 7.406 697 HA ASP 88 HA ASP 88 -9.344 2.232 6.347 698 HB2 ASP 88 2HB ASP 88 -8.830 4.766 5.826 699 HB3 ASP 88 3HB ASP 88 -7.671 4.151 4.663 700 H ILE 89 H ILE 89 -5.904 2.740 5.684 701 HA ILE 89 HA ILE 89 -5.579 0.781 3.650 702 HB ILE 89 HB ILE 89 -3.507 2.163 5.433 703 HG12 ILE 89 2HG1 ILE 89 -4.392 2.685 2.546 704 HG13 ILE 89 3HG1 ILE 89 -4.716 3.716 3.932 705 HG21 ILE 89 1HG2 ILE 89 -2.565 0.031 4.624 706 HG22 ILE 89 2HG2 ILE 89 -1.770 1.401 3.855 707 HG23 ILE 89 3HG2 ILE 89 -2.972 0.467 2.963 708 HD11 ILE 89 3HD1 ILE 89 -2.986 4.650 2.535 709 HD12 ILE 89 1HD1 ILE 89 -2.018 3.185 2.698 710 HD13 ILE 89 2HD1 ILE 89 -2.319 4.206 4.105 711 H TYR 90 H TYR 90 -5.240 0.715 7.173 712 HA TYR 90 HA TYR 90 -4.241 -1.906 7.486 713 HB2 TYR 90 2HB TYR 90 -5.803 -0.045 9.290 714 HB3 TYR 90 3HB TYR 90 -5.624 -1.727 9.769 715 HD1 TYR 90 HD2 TYR 90 -3.073 0.494 8.111 716 HD2 TYR 90 HD1 TYR 90 -4.210 -1.614 11.648 717 HE1 TYR 90 HE2 TYR 90 -0.903 1.033 9.136 718 HE2 TYR 90 HE1 TYR 90 -2.044 -1.079 12.667 719 HH TYR 90 HH TYR 90 0.078 1.234 11.419 720 H ALA 91 H ALA 91 -7.581 -0.665 7.343 721 HA ALA 91 HA ALA 91 -8.992 -3.075 7.689 722 HB1 ALA 91 3HB ALA 91 -10.054 -0.842 7.767 723 HB2 ALA 91 1HB ALA 91 -10.888 -1.895 6.622 724 HB3 ALA 91 2HB ALA 91 -9.784 -0.648 6.035 725 H THR 92 H THR 92 -7.898 -1.470 4.711 726 HA THR 92 HA THR 92 -8.896 -3.202 2.756 727 HB THR 92 HB THR 92 -6.380 -1.482 2.670 728 HG1 THR 92 HG1 THR 92 -7.876 0.002 2.905 729 HG21 THR 92 3HG2 THR 92 -6.473 -3.074 0.752 730 HG22 THR 92 1HG2 THR 92 -6.692 -1.402 0.231 731 HG23 THR 92 2HG2 THR 92 -8.084 -2.479 0.352 732 H ILE 93 H ILE 93 -5.693 -3.169 4.286 733 HA ILE 93 HA ILE 93 -4.587 -5.361 2.856 734 HB ILE 93 HB ILE 93 -3.741 -3.976 5.438 735 HG12 ILE 93 2HG1 ILE 93 -2.582 -3.822 2.607 736 HG13 ILE 93 3HG1 ILE 93 -3.566 -2.583 3.381 737 HG21 ILE 93 1HG2 ILE 93 -1.576 -5.111 5.295 738 HG22 ILE 93 2HG2 ILE 93 -2.134 -6.043 3.906 739 HG23 ILE 93 3HG2 ILE 93 -2.881 -6.283 5.484 740 HD11 ILE 93 3HD1 ILE 93 -1.243 -1.957 3.434 741 HD12 ILE 93 1HD1 ILE 93 -0.814 -3.470 4.234 742 HD13 ILE 93 2HD1 ILE 93 -1.804 -2.274 5.075 743 H MET 94 H MET 94 -6.099 -5.098 6.112 744 HA MET 94 HA MET 94 -5.649 -7.767 6.926 745 HB2 MET 94 2HB MET 94 -7.776 -5.782 7.827 746 HB3 MET 94 3HB MET 94 -7.604 -7.378 8.544 747 HG2 MET 94 2HG MET 94 -5.267 -6.785 9.201 748 HG3 MET 94 3HG MET 94 -5.545 -5.156 8.585 749 HE1 MET 94 3HE MET 94 -8.439 -3.928 11.060 750 HE2 MET 94 1HE MET 94 -8.726 -4.777 9.541 751 HE3 MET 94 2HE MET 94 -7.504 -3.507 9.626 752 H ASP 95 H ASP 95 -8.513 -6.307 5.342 753 HA ASP 95 HA ASP 95 -10.036 -8.671 5.094 754 HB2 ASP 95 2HB ASP 95 -10.033 -6.051 3.557 755 HB3 ASP 95 3HB ASP 95 -11.080 -7.369 3.045 756 H PHE 96 H PHE 96 -7.474 -7.346 3.034 757 HA PHE 96 HA PHE 96 -7.857 -8.995 0.753 758 HB2 PHE 96 2HB PHE 96 -6.530 -6.897 0.755 759 HB3 PHE 96 3HB PHE 96 -5.317 -7.651 1.780 760 HD1 PHE 96 HD2 PHE 96 -6.923 -7.870 -1.589 761 HD2 PHE 96 HD1 PHE 96 -3.499 -8.830 0.784 762 HE1 PHE 96 HE2 PHE 96 -5.711 -8.572 -3.609 763 HE2 PHE 96 HE1 PHE 96 -2.293 -9.526 -1.243 764 HZ PHE 96 HZ PHE 96 -3.399 -9.394 -3.439 765 H PHE 97 H PHE 97 -5.637 -9.310 3.512 766 HA PHE 97 HA PHE 97 -4.569 -11.852 2.647 767 HB2 PHE 97 2HB PHE 97 -4.155 -10.156 5.134 768 HB3 PHE 97 3HB PHE 97 -3.401 -11.737 4.946 769 HD1 PHE 97 HD2 PHE 97 -1.635 -12.101 3.250 770 HD2 PHE 97 HD1 PHE 97 -3.345 -8.233 3.789 771 HE1 PHE 97 HE2 PHE 97 0.209 -11.097 1.970 772 HE2 PHE 97 HE1 PHE 97 -1.507 -7.238 2.496 773 HZ PHE 97 HZ PHE 97 0.275 -8.669 1.586 774 H ALA 98 H ALA 98 -7.126 -10.862 4.881 775 HA ALA 98 HA ALA 98 -7.530 -13.435 6.110 776 HB1 ALA 98 3HB ALA 98 -9.496 -11.118 5.856 777 HB2 ALA 98 1HB ALA 98 -8.358 -11.370 7.179 778 HB3 ALA 98 2HB ALA 98 -9.671 -12.517 6.922 779 H SER 99 H SER 99 -8.629 -11.895 3.164 780 HA SER 99 HA SER 99 -10.577 -13.928 2.451 781 HB2 SER 99 2HB SER 99 -10.842 -11.588 1.688 782 HB3 SER 99 3HB SER 99 -9.342 -11.701 0.768 783 HG SER 99 HG SER 99 -11.119 -12.043 -0.586 784 H GLY 100 H GLY 100 -7.182 -13.494 2.200 785 HA2 GLY 100 2HA GLY 100 -5.510 -14.900 1.521 786 HA3 GLY 100 3HA GLY 100 -6.733 -16.112 1.178 787 H LEU 101 H LEU 101 -6.458 -12.868 -0.220 788 HA LEU 101 HA LEU 101 -6.540 -13.935 -2.940 789 HB2 LEU 101 2HB LEU 101 -6.494 -11.051 -1.955 790 HB3 LEU 101 3HB LEU 101 -6.811 -11.562 -3.606 791 HG LEU 101 HG LEU 101 -8.588 -12.072 -1.191 792 HD11 LEU 101 1HD1 LEU 101 -8.699 -9.754 -1.932 793 HD12 LEU 101 2HD1 LEU 101 -10.200 -10.588 -2.328 794 HD13 LEU 101 3HD1 LEU 101 -9.012 -10.268 -3.593 795 HD21 LEU 101 3HD2 LEU 101 -8.721 -13.988 -2.696 796 HD22 LEU 101 1HD2 LEU 101 -9.018 -12.925 -4.074 797 HD23 LEU 101 2HD2 LEU 101 -10.211 -13.054 -2.779 798 HA PRO 102 HA PRO 102 -2.028 -13.649 -3.338 799 HB2 PRO 102 2HB PRO 102 -2.412 -13.536 -6.304 800 HB3 PRO 102 3HB PRO 102 -1.625 -14.787 -5.318 801 HG2 PRO 102 2HG PRO 102 -3.993 -15.229 -6.499 802 HG3 PRO 102 3HG PRO 102 -3.599 -15.928 -4.911 803 HD2 PRO 102 2HD PRO 102 -5.283 -13.504 -5.541 804 HD3 PRO 102 3HD PRO 102 -5.592 -14.825 -4.390 805 H LEU 103 H LEU 103 -0.458 -12.040 -3.684 806 HA LEU 103 HA LEU 103 -1.292 -9.364 -3.599 807 HB2 LEU 103 2HB LEU 103 0.933 -10.502 -2.820 808 HB3 LEU 103 3HB LEU 103 1.509 -10.187 -4.441 809 HG LEU 103 HG LEU 103 2.277 -8.505 -2.757 810 HD11 LEU 103 1HD1 LEU 103 0.506 -7.246 -4.873 811 HD12 LEU 103 2HD1 LEU 103 2.157 -7.821 -5.113 812 HD13 LEU 103 3HD1 LEU 103 1.848 -6.477 -4.022 813 HD21 LEU 103 3HD2 LEU 103 0.317 -8.497 -1.279 814 HD22 LEU 103 1HD2 LEU 103 -0.646 -7.701 -2.528 815 HD23 LEU 103 2HD2 LEU 103 0.725 -6.864 -1.796 816 H VAL 104 H VAL 104 0.125 -11.244 -6.269 817 HA VAL 104 HA VAL 104 -0.789 -9.221 -8.227 818 HB VAL 104 HB VAL 104 1.586 -11.143 -8.533 819 HG11 VAL 104 1HG1 VAL 104 2.111 -9.892 -10.594 820 HG12 VAL 104 2HG1 VAL 104 0.676 -8.888 -10.370 821 HG13 VAL 104 3HG1 VAL 104 0.504 -10.616 -10.680 822 HG21 VAL 104 3HG2 VAL 104 3.068 -9.185 -8.319 823 HG22 VAL 104 1HG2 VAL 104 2.102 -9.410 -6.861 824 HG23 VAL 104 2HG2 VAL 104 1.677 -8.143 -8.011 825 H THR 105 H THR 105 -2.538 -10.040 -9.263 826 HA THR 105 HA THR 105 -3.055 -12.906 -9.320 827 HB THR 105 HB THR 105 -5.204 -12.117 -10.551 828 HG1 THR 105 HG1 THR 105 -5.549 -9.990 -10.692 829 HG21 THR 105 3HG2 THR 105 -5.201 -12.785 -8.163 830 HG22 THR 105 1HG2 THR 105 -6.281 -11.413 -8.433 831 HG23 THR 105 2HG2 THR 105 -4.697 -11.160 -7.701 832 H GLU 106 H GLU 106 -2.409 -10.296 -11.673 833 HA GLU 106 HA GLU 106 -1.634 -12.335 -13.659 834 HB2 GLU 106 2HB GLU 106 -4.006 -11.549 -14.111 835 HB3 GLU 106 3HB GLU 106 -3.372 -9.925 -14.351 836 HG2 GLU 106 2HG GLU 106 -1.974 -10.785 -16.229 837 HG3 GLU 106 3HG GLU 106 -2.711 -12.373 -16.023 838 H GLU 107 H GLU 107 0.239 -11.875 -14.600 839 HA GLU 107 HA GLU 107 1.593 -9.317 -14.244 840 HB2 GLU 107 2HB GLU 107 2.492 -11.879 -15.637 841 HB3 GLU 107 3HB GLU 107 3.512 -10.479 -15.335 842 HG2 GLU 107 2HG GLU 107 3.363 -10.851 -12.913 843 HG3 GLU 107 3HG GLU 107 2.249 -12.193 -13.170 Start of MODEL 8 1 H1 MET 1 1H MET 1 -23.473 -8.367 25.166 2 H2 MET 1 2H MET 1 -24.709 -8.953 24.178 3 H3 MET 1 3H MET 1 -25.076 -8.259 25.672 4 HA MET 1 HA MET 1 -25.550 -6.831 23.760 5 HB2 MET 1 2HB MET 1 -25.127 -5.917 26.062 6 HB3 MET 1 3HB MET 1 -23.421 -5.753 25.668 7 HG2 MET 1 2HG MET 1 -23.997 -4.134 23.888 8 HG3 MET 1 3HG MET 1 -25.701 -4.297 24.300 9 HE1 MET 1 3HE MET 1 -25.841 -2.630 27.862 10 HE2 MET 1 1HE MET 1 -25.680 -4.347 27.510 11 HE3 MET 1 2HE MET 1 -26.790 -3.352 26.563 12 H GLY 2 H GLY 2 -24.867 -7.334 21.722 13 HA2 GLY 2 2HA GLY 2 -23.720 -6.967 19.785 14 HA3 GLY 2 3HA GLY 2 -22.518 -6.053 20.680 15 H HIS 3 H HIS 3 -21.838 -7.703 18.593 16 HA HIS 3 HA HIS 3 -20.244 -9.821 19.920 17 HB2 HIS 3 2HB HIS 3 -20.984 -9.476 16.977 18 HB3 HIS 3 3HB HIS 3 -19.789 -10.637 17.549 19 HD1 HIS 3 HD1 HIS 3 -20.668 -12.889 18.283 20 HD2 HIS 3 HD2 HIS 3 -23.691 -10.051 17.969 21 HE1 HIS 3 HE1 HIS 3 -22.823 -14.148 18.573 22 HE2 HIS 3 HE2 HIS 3 -24.624 -12.441 18.204 23 H HIS 4 H HIS 4 -18.750 -8.456 20.793 24 HA HIS 4 HA HIS 4 -16.778 -7.280 18.956 25 HB2 HIS 4 2HB HIS 4 -16.577 -5.240 20.326 26 HB3 HIS 4 3HB HIS 4 -18.200 -5.397 19.669 27 HD1 HIS 4 HD1 HIS 4 -16.318 -5.171 22.827 28 HD2 HIS 4 HD2 HIS 4 -20.217 -5.979 21.645 29 HE1 HIS 4 HE1 HIS 4 -17.705 -4.971 24.903 30 HE2 HIS 4 HE2 HIS 4 -20.073 -5.263 24.121 31 H HIS 5 H HIS 5 -17.290 -9.554 21.182 32 HA HIS 5 HA HIS 5 -14.843 -9.472 22.675 33 HB2 HIS 5 2HB HIS 5 -16.576 -11.824 21.796 34 HB3 HIS 5 3HB HIS 5 -15.145 -11.998 22.805 35 HD1 HIS 5 HD1 HIS 5 -18.588 -12.029 23.181 36 HD2 HIS 5 HD2 HIS 5 -15.536 -10.082 25.219 37 HE1 HIS 5 HE1 HIS 5 -19.494 -11.583 25.475 38 HE2 HIS 5 HE2 HIS 5 -17.560 -10.582 26.732 39 H HIS 6 H HIS 6 -12.872 -10.455 22.181 40 HA HIS 6 HA HIS 6 -11.061 -11.048 20.962 41 HB2 HIS 6 2HB HIS 6 -12.440 -13.156 20.703 42 HB3 HIS 6 3HB HIS 6 -13.092 -12.518 19.204 43 HD1 HIS 6 HD1 HIS 6 -9.677 -13.443 20.637 44 HD2 HIS 6 HD2 HIS 6 -11.710 -13.369 17.015 45 HE1 HIS 6 HE1 HIS 6 -8.128 -14.500 18.967 46 HE2 HIS 6 HE2 HIS 6 -9.335 -14.323 16.772 47 H HIS 7 H HIS 7 -12.351 -8.548 20.472 48 HA HIS 7 HA HIS 7 -12.211 -7.866 17.680 49 HB2 HIS 7 2HB HIS 7 -13.602 -6.552 19.306 50 HB3 HIS 7 3HB HIS 7 -12.135 -6.020 20.119 51 HD1 HIS 7 HD1 HIS 7 -11.140 -3.873 19.274 52 HD2 HIS 7 HD2 HIS 7 -13.768 -5.549 16.520 53 HE1 HIS 7 HE1 HIS 7 -11.371 -2.176 17.436 54 HE2 HIS 7 HE2 HIS 7 -12.855 -3.267 15.724 55 H HIS 8 H HIS 8 -10.255 -8.846 17.212 56 HA HIS 8 HA HIS 8 -7.799 -7.374 17.545 57 HB2 HIS 8 2HB HIS 8 -7.953 -8.753 19.678 58 HB3 HIS 8 3HB HIS 8 -8.027 -10.210 18.701 59 HD1 HIS 8 HD1 HIS 8 -5.677 -7.861 20.258 60 HD2 HIS 8 HD2 HIS 8 -5.508 -10.748 17.266 61 HE1 HIS 8 HE1 HIS 8 -3.237 -8.362 19.922 62 HE2 HIS 8 HE2 HIS 8 -3.162 -10.143 18.148 63 H SER 9 H SER 9 -7.537 -7.347 15.349 64 HA SER 9 HA SER 9 -7.888 -9.548 13.584 65 HB2 SER 9 2HB SER 9 -7.745 -7.189 12.783 66 HB3 SER 9 3HB SER 9 -6.070 -7.101 13.319 67 HG SER 9 HG SER 9 -6.493 -7.575 11.019 68 H HIS 10 H HIS 10 -6.645 -11.333 13.431 69 HA HIS 10 HA HIS 10 -4.536 -11.952 15.192 70 HB2 HIS 10 2HB HIS 10 -6.091 -13.615 14.057 71 HB3 HIS 10 3HB HIS 10 -5.178 -13.388 12.569 72 HD1 HIS 10 HD1 HIS 10 -3.115 -14.813 12.293 73 HD2 HIS 10 HD2 HIS 10 -4.551 -14.853 16.191 74 HE1 HIS 10 HE1 HIS 10 -1.802 -16.590 13.479 75 HE2 HIS 10 HE2 HIS 10 -2.827 -16.724 15.763 76 H MET 11 H MET 11 -4.613 -10.752 11.940 77 HA MET 11 HA MET 11 -1.828 -10.756 11.329 78 HB2 MET 11 2HB MET 11 -3.633 -10.626 9.626 79 HB3 MET 11 3HB MET 11 -4.139 -9.064 10.255 80 HG2 MET 11 2HG MET 11 -1.971 -8.101 9.570 81 HG3 MET 11 3HG MET 11 -1.492 -9.679 8.929 82 HE1 MET 11 3HE MET 11 -2.095 -7.669 5.683 83 HE2 MET 11 1HE MET 11 -1.006 -8.757 6.541 84 HE3 MET 11 2HE MET 11 -1.337 -7.145 7.185 85 H PHE 12 H PHE 12 -0.307 -9.158 11.645 86 HA PHE 12 HA PHE 12 -1.054 -6.625 12.988 87 HB2 PHE 12 2HB PHE 12 1.193 -6.725 14.154 88 HB3 PHE 12 3HB PHE 12 0.059 -7.958 14.677 89 HD1 PHE 12 HD2 PHE 12 0.436 -10.344 14.131 90 HD2 PHE 12 HD1 PHE 12 3.265 -7.348 12.954 91 HE1 PHE 12 HE2 PHE 12 2.114 -12.090 13.688 92 HE2 PHE 12 HE1 PHE 12 4.934 -9.107 12.515 93 HZ PHE 12 HZ PHE 12 4.356 -11.471 12.882 94 H ILE 13 H ILE 13 -0.183 -4.809 12.116 95 HA ILE 13 HA ILE 13 1.721 -5.031 9.852 96 HB ILE 13 HB ILE 13 -0.551 -2.993 10.081 97 HG12 ILE 13 2HG1 ILE 13 -0.379 -5.412 8.211 98 HG13 ILE 13 3HG1 ILE 13 -1.425 -5.294 9.620 99 HG21 ILE 13 1HG2 ILE 13 1.397 -3.517 7.792 100 HG22 ILE 13 2HG2 ILE 13 1.412 -2.117 8.868 101 HG23 ILE 13 3HG2 ILE 13 0.061 -2.360 7.761 102 HD11 ILE 13 3HD1 ILE 13 -2.644 -3.456 8.575 103 HD12 ILE 13 1HD1 ILE 13 -2.659 -4.911 7.581 104 HD13 ILE 13 2HD1 ILE 13 -1.602 -3.567 7.152 105 H GLN 14 H GLN 14 3.569 -3.997 10.279 106 HA GLN 14 HA GLN 14 3.670 -1.930 12.405 107 HB2 GLN 14 2HB GLN 14 6.092 -2.589 12.653 108 HB3 GLN 14 3HB GLN 14 4.963 -3.869 13.071 109 HG2 GLN 14 2HG GLN 14 5.373 -4.957 10.908 110 HG3 GLN 14 3HG GLN 14 6.480 -3.659 10.461 111 HE21 GLN 14 1HE2 GLN 14 8.520 -3.555 11.480 112 HE22 GLN 14 2HE2 GLN 14 9.188 -4.902 12.334 113 H THR 15 H THR 15 4.554 0.026 11.938 114 HA THR 15 HA THR 15 5.096 0.599 9.087 115 HB THR 15 HB THR 15 4.700 3.039 9.820 116 HG1 THR 15 HG1 THR 15 4.927 2.714 12.072 117 HG21 THR 15 3HG2 THR 15 2.244 2.826 9.781 118 HG22 THR 15 1HG2 THR 15 2.378 1.098 10.116 119 HG23 THR 15 2HG2 THR 15 2.986 1.751 8.593 120 H GLN 16 H GLN 16 7.004 1.402 8.400 121 HA GLN 16 HA GLN 16 9.166 1.825 10.394 122 HB2 GLN 16 2HB GLN 16 9.525 -0.119 8.889 123 HB3 GLN 16 3HB GLN 16 9.387 0.928 7.481 124 HG2 GLN 16 2HG GLN 16 11.430 2.131 8.163 125 HG3 GLN 16 3HG GLN 16 11.553 1.123 9.605 126 HE21 GLN 16 1HE2 GLN 16 12.216 -1.045 9.373 127 HE22 GLN 16 2HE2 GLN 16 12.991 -1.615 7.934 128 H ASP 17 H ASP 17 10.579 3.546 10.131 129 HA ASP 17 HA ASP 17 9.668 6.014 9.162 130 HB2 ASP 17 2HB ASP 17 12.540 5.146 9.746 131 HB3 ASP 17 3HB ASP 17 12.004 6.812 9.566 132 H THR 18 H THR 18 9.692 6.869 7.185 133 HA THR 18 HA THR 18 11.174 5.579 4.970 134 HB THR 18 HB THR 18 9.437 6.962 3.582 135 HG1 THR 18 HG1 THR 18 7.977 8.016 4.684 136 HG21 THR 18 3HG2 THR 18 7.681 5.249 3.804 137 HG22 THR 18 1HG2 THR 18 8.413 4.678 5.311 138 HG23 THR 18 2HG2 THR 18 9.278 4.502 3.785 139 HA PRO 19 HA PRO 19 13.593 9.405 4.437 140 HB2 PRO 19 2HB PRO 19 13.900 9.359 1.661 141 HB3 PRO 19 3HB PRO 19 14.879 8.401 2.789 142 HG2 PRO 19 2HG PRO 19 12.464 7.550 1.217 143 HG3 PRO 19 3HG PRO 19 14.000 6.687 1.469 144 HD2 PRO 19 2HD PRO 19 11.819 6.031 2.889 145 HD3 PRO 19 3HD PRO 19 13.425 6.029 3.650 146 H ASN 20 H ASN 20 10.754 8.798 2.367 147 HA ASN 20 HA ASN 20 10.258 11.671 1.972 148 HB2 ASN 20 2HB ASN 20 8.706 9.253 0.935 149 HB3 ASN 20 3HB ASN 20 8.415 10.930 0.484 150 HD21 ASN 20 1HD2 ASN 20 9.055 8.679 -1.219 151 HD22 ASN 20 2HD2 ASN 20 10.511 9.096 -2.048 152 HA PRO 21 HA PRO 21 7.367 11.554 5.596 153 HB2 PRO 21 2HB PRO 21 6.488 14.193 5.249 154 HB3 PRO 21 3HB PRO 21 7.935 13.725 6.162 155 HG2 PRO 21 2HG PRO 21 7.735 14.715 3.340 156 HG3 PRO 21 3HG PRO 21 8.924 15.127 4.595 157 HD2 PRO 21 2HD PRO 21 9.523 13.405 2.617 158 HD3 PRO 21 3HD PRO 21 10.152 13.165 4.263 159 H ASN 22 H ASN 22 6.612 12.471 2.257 160 HA ASN 22 HA ASN 22 3.738 12.111 2.540 161 HB2 ASN 22 2HB ASN 22 5.470 12.442 0.053 162 HB3 ASN 22 3HB ASN 22 3.715 12.260 0.001 163 HD21 ASN 22 1HD2 ASN 22 5.195 14.502 -0.959 164 HD22 ASN 22 2HD2 ASN 22 4.700 15.876 -0.036 165 H SER 23 H SER 23 6.254 9.944 2.440 166 HA SER 23 HA SER 23 4.464 7.765 1.503 167 HB2 SER 23 2HB SER 23 7.522 7.803 1.590 168 HB3 SER 23 3HB SER 23 6.515 6.462 1.034 169 HG SER 23 HG SER 23 5.720 7.856 -0.609 170 H LEU 24 H LEU 24 4.261 5.971 2.838 171 HA LEU 24 HA LEU 24 5.866 5.743 5.293 172 HB2 LEU 24 2HB LEU 24 3.769 6.964 5.896 173 HB3 LEU 24 3HB LEU 24 2.821 5.622 5.284 174 HG LEU 24 HG LEU 24 3.711 4.154 7.078 175 HD11 LEU 24 1HD1 LEU 24 5.194 6.604 8.080 176 HD12 LEU 24 2HD1 LEU 24 5.925 5.151 7.394 177 HD13 LEU 24 3HD1 LEU 24 5.056 5.058 8.924 178 HD21 LEU 24 3HD2 LEU 24 2.560 6.756 8.135 179 HD22 LEU 24 1HD2 LEU 24 2.528 5.191 8.952 180 HD23 LEU 24 2HD2 LEU 24 1.636 5.416 7.452 181 H LYS 25 H LYS 25 6.272 3.654 5.863 182 HA LYS 25 HA LYS 25 5.699 1.630 3.813 183 HB2 LYS 25 2HB LYS 25 8.045 2.236 4.335 184 HB3 LYS 25 3HB LYS 25 7.800 1.800 6.023 185 HG2 LYS 25 2HG LYS 25 7.522 -0.552 5.411 186 HG3 LYS 25 3HG LYS 25 7.646 -0.148 3.692 187 HD2 LYS 25 2HD LYS 25 9.962 0.668 4.051 188 HD3 LYS 25 3HD LYS 25 9.833 0.290 5.769 189 HE2 LYS 25 2HE LYS 25 9.618 -2.091 5.243 190 HE3 LYS 25 3HE LYS 25 9.682 -1.729 3.517 191 HZ1 LYS 25 3HZ LYS 25 11.919 -0.811 3.872 192 HZ2 LYS 25 1HZ LYS 25 11.818 -2.451 4.268 193 HZ3 LYS 25 2HZ LYS 25 11.852 -1.290 5.493 194 H PHE 26 H PHE 26 4.253 0.084 4.263 195 HA PHE 26 HA PHE 26 3.378 -0.493 7.036 196 HB2 PHE 26 2HB PHE 26 1.831 -0.744 4.394 197 HB3 PHE 26 3HB PHE 26 1.210 -1.220 5.970 198 HD1 PHE 26 HD2 PHE 26 2.101 1.670 3.826 199 HD2 PHE 26 HD1 PHE 26 0.415 0.444 7.564 200 HE1 PHE 26 HE2 PHE 26 1.231 3.944 4.187 201 HE2 PHE 26 HE1 PHE 26 -0.453 2.721 7.911 202 HZ PHE 26 HZ PHE 26 -0.043 4.471 6.226 203 H ILE 27 H ILE 27 4.492 -2.279 7.610 204 HA ILE 27 HA ILE 27 5.178 -4.400 5.715 205 HB ILE 27 HB ILE 27 5.958 -3.954 8.633 206 HG12 ILE 27 2HG1 ILE 27 7.646 -3.586 6.112 207 HG13 ILE 27 3HG1 ILE 27 6.869 -2.274 6.991 208 HG21 ILE 27 1HG2 ILE 27 7.030 -6.056 6.720 209 HG22 ILE 27 2HG2 ILE 27 6.003 -6.363 8.117 210 HG23 ILE 27 3HG2 ILE 27 7.639 -5.741 8.343 211 HD11 ILE 27 3HD1 ILE 27 9.203 -2.398 7.538 212 HD12 ILE 27 1HD1 ILE 27 9.037 -4.078 8.053 213 HD13 ILE 27 2HD1 ILE 27 8.230 -2.790 8.954 214 HA PRO 28 HA PRO 28 1.254 -6.151 7.220 215 HB2 PRO 28 2HB PRO 28 0.793 -7.918 5.234 216 HB3 PRO 28 3HB PRO 28 0.768 -6.167 4.930 217 HG2 PRO 28 2HG PRO 28 3.010 -8.111 4.430 218 HG3 PRO 28 3HG PRO 28 2.328 -6.889 3.332 219 HD2 PRO 28 2HD PRO 28 4.586 -6.438 4.798 220 HD3 PRO 28 3HD PRO 28 3.457 -5.137 4.356 221 H GLY 29 H GLY 29 4.234 -7.870 7.081 222 HA2 GLY 29 2HA GLY 29 4.937 -9.591 8.493 223 HA3 GLY 29 3HA GLY 29 3.274 -9.908 8.954 224 H LYS 30 H LYS 30 3.732 -9.667 5.600 225 HA LYS 30 HA LYS 30 4.166 -12.544 5.156 226 HB2 LYS 30 2HB LYS 30 1.754 -10.921 4.261 227 HB3 LYS 30 3HB LYS 30 2.318 -12.251 3.256 228 HG2 LYS 30 2HG LYS 30 2.013 -13.810 5.165 229 HG3 LYS 30 3HG LYS 30 1.391 -12.474 6.135 230 HD2 LYS 30 2HD LYS 30 -0.529 -12.213 4.684 231 HD3 LYS 30 3HD LYS 30 0.131 -13.358 3.512 232 HE2 LYS 30 2HE LYS 30 -1.687 -14.330 4.896 233 HE3 LYS 30 3HE LYS 30 -0.161 -15.195 5.084 234 HZ1 LYS 30 3HZ LYS 30 -1.226 -13.164 6.969 235 HZ2 LYS 30 1HZ LYS 30 0.205 -14.036 7.161 236 HZ3 LYS 30 2HZ LYS 30 -1.287 -14.838 7.200 237 HA PRO 31 HA PRO 31 6.873 -10.751 2.048 238 HB2 PRO 31 2HB PRO 31 7.544 -12.970 0.614 239 HB3 PRO 31 3HB PRO 31 8.091 -12.746 2.289 240 HG2 PRO 31 2HG PRO 31 5.814 -14.410 1.266 241 HG3 PRO 31 3HG PRO 31 7.033 -14.817 2.496 242 HD2 PRO 31 2HD PRO 31 4.501 -13.954 3.133 243 HD3 PRO 31 3HD PRO 31 5.913 -13.679 4.176 244 H VAL 32 H VAL 32 5.060 -9.500 1.230 245 HA VAL 32 HA VAL 32 3.149 -10.342 -0.623 246 HB VAL 32 HB VAL 32 2.754 -7.943 -1.125 247 HG11 VAL 32 1HG1 VAL 32 3.162 -8.526 1.827 248 HG12 VAL 32 2HG1 VAL 32 1.728 -8.901 0.866 249 HG13 VAL 32 3HG1 VAL 32 2.170 -7.221 1.168 250 HG21 VAL 32 3HG2 VAL 32 4.070 -6.158 -0.036 251 HG22 VAL 32 1HG2 VAL 32 5.059 -7.099 -1.158 252 HG23 VAL 32 2HG2 VAL 32 5.203 -7.365 0.581 253 H LEU 33 H LEU 33 6.269 -8.776 -1.214 254 HA LEU 33 HA LEU 33 6.662 -10.307 -3.647 255 HB2 LEU 33 2HB LEU 33 6.700 -7.259 -3.582 256 HB3 LEU 33 3HB LEU 33 7.631 -8.159 -4.768 257 HG LEU 33 HG LEU 33 4.601 -8.195 -4.506 258 HD11 LEU 33 1HD1 LEU 33 4.593 -6.951 -6.588 259 HD12 LEU 33 2HD1 LEU 33 6.359 -6.934 -6.624 260 HD13 LEU 33 3HD1 LEU 33 5.491 -6.072 -5.355 261 HD21 LEU 33 3HD2 LEU 33 5.410 -10.353 -5.323 262 HD22 LEU 33 1HD2 LEU 33 6.384 -9.553 -6.559 263 HD23 LEU 33 2HD2 LEU 33 4.621 -9.468 -6.626 264 H GLU 34 H GLU 34 8.136 -11.375 -2.183 265 HA GLU 34 HA GLU 34 10.353 -9.822 -1.088 266 HB2 GLU 34 2HB GLU 34 9.332 -11.661 0.244 267 HB3 GLU 34 3HB GLU 34 9.886 -12.828 -0.955 268 HG2 GLU 34 2HG GLU 34 12.240 -12.173 -0.480 269 HG3 GLU 34 3HG GLU 34 11.668 -11.034 0.738 270 H THR 35 H THR 35 9.747 -12.254 -3.582 271 HA THR 35 HA THR 35 12.374 -12.768 -4.417 272 HB THR 35 HB THR 35 9.893 -12.822 -6.201 273 HG1 THR 35 HG1 THR 35 10.779 -14.647 -4.201 274 HG21 THR 35 3HG2 THR 35 11.018 -14.705 -7.340 275 HG22 THR 35 1HG2 THR 35 12.412 -14.550 -6.276 276 HG23 THR 35 2HG2 THR 35 12.022 -13.257 -7.415 277 H ARG 36 H ARG 36 10.229 -10.077 -5.085 278 HA ARG 36 HA ARG 36 12.226 -8.691 -6.703 279 HB2 ARG 36 2HB ARG 36 10.573 -8.193 -8.509 280 HB3 ARG 36 3HB ARG 36 10.971 -9.904 -8.412 281 HG2 ARG 36 2HG ARG 36 8.840 -10.311 -7.181 282 HG3 ARG 36 3HG ARG 36 8.431 -8.601 -7.358 283 HD2 ARG 36 2HD ARG 36 7.297 -10.037 -9.033 284 HD3 ARG 36 3HD ARG 36 8.349 -8.837 -9.791 285 HE ARG 36 HE ARG 36 9.996 -10.917 -9.690 286 HH11 ARG 36 1HH1 ARG 36 6.638 -10.872 -10.724 287 HH12 ARG 36 2HH1 ARG 36 6.855 -12.198 -11.830 288 HH21 ARG 36 1HH2 ARG 36 10.246 -12.644 -11.122 289 HH22 ARG 36 2HH2 ARG 36 8.885 -13.194 -12.055 290 H THR 37 H THR 37 11.269 -6.458 -7.315 291 HA THR 37 HA THR 37 9.343 -5.400 -5.318 292 HB THR 37 HB THR 37 10.715 -3.141 -5.776 293 HG1 THR 37 HG1 THR 37 12.839 -5.010 -6.000 294 HG21 THR 37 3HG2 THR 37 12.165 -3.566 -3.823 295 HG22 THR 37 1HG2 THR 37 11.791 -5.286 -3.914 296 HG23 THR 37 2HG2 THR 37 10.516 -4.123 -3.536 297 H MET 38 H MET 38 7.840 -3.884 -6.181 298 HA MET 38 HA MET 38 7.908 -3.291 -9.033 299 HB2 MET 38 2HB MET 38 5.588 -4.866 -7.806 300 HB3 MET 38 3HB MET 38 5.529 -4.088 -9.377 301 HG2 MET 38 2HG MET 38 7.634 -5.600 -9.876 302 HG3 MET 38 3HG MET 38 7.010 -6.553 -8.536 303 HE1 MET 38 3HE MET 38 3.365 -7.352 -10.041 304 HE2 MET 38 1HE MET 38 3.808 -5.980 -9.033 305 HE3 MET 38 2HE MET 38 4.387 -7.600 -8.624 306 H ASP 39 H ASP 39 6.954 -1.419 -9.483 307 HA ASP 39 HA ASP 39 5.755 0.126 -7.249 308 HB2 ASP 39 2HB ASP 39 7.955 0.987 -8.051 309 HB3 ASP 39 3HB ASP 39 7.301 1.144 -9.678 310 H PHE 40 H PHE 40 3.888 1.170 -7.580 311 HA PHE 40 HA PHE 40 2.524 1.040 -10.205 312 HB2 PHE 40 2HB PHE 40 1.130 0.732 -7.496 313 HB3 PHE 40 3HB PHE 40 0.403 0.556 -9.091 314 HD1 PHE 40 HD2 PHE 40 0.787 -1.505 -10.425 315 HD2 PHE 40 HD1 PHE 40 2.478 -1.076 -6.518 316 HE1 PHE 40 HE2 PHE 40 1.327 -3.905 -10.389 317 HE2 PHE 40 HE1 PHE 40 3.020 -3.474 -6.500 318 HZ PHE 40 HZ PHE 40 2.451 -4.889 -8.431 319 HA PRO 41 HA PRO 41 2.870 5.448 -8.801 320 HB2 PRO 41 2HB PRO 41 3.013 6.597 -11.278 321 HB3 PRO 41 3HB PRO 41 4.409 5.805 -10.521 322 HG2 PRO 41 2HG PRO 41 2.529 4.700 -12.588 323 HG3 PRO 41 3HG PRO 41 4.308 4.628 -12.538 324 HD2 PRO 41 2HD PRO 41 2.748 2.541 -11.742 325 HD3 PRO 41 3HD PRO 41 4.328 2.877 -10.999 326 H THR 42 H THR 42 0.628 3.964 -11.075 327 HA THR 42 HA THR 42 -1.423 6.049 -10.598 328 HB THR 42 HB THR 42 -2.166 5.695 -12.965 329 HG1 THR 42 HG1 THR 42 -0.363 4.610 -14.292 330 HG21 THR 42 3HG2 THR 42 -0.309 6.845 -14.131 331 HG22 THR 42 1HG2 THR 42 0.766 6.495 -12.775 332 HG23 THR 42 2HG2 THR 42 -0.618 7.570 -12.552 333 HA PRO 43 HA PRO 43 -4.225 2.582 -9.621 334 HB2 PRO 43 2HB PRO 43 -6.339 4.004 -11.215 335 HB3 PRO 43 3HB PRO 43 -6.352 3.492 -9.513 336 HG2 PRO 43 2HG PRO 43 -6.091 6.075 -10.151 337 HG3 PRO 43 3HG PRO 43 -5.202 5.375 -8.775 338 HD2 PRO 43 2HD PRO 43 -4.193 6.022 -11.542 339 HD3 PRO 43 3HD PRO 43 -3.408 6.274 -9.968 340 H ALA 44 H ALA 44 -3.840 3.762 -12.920 341 HA ALA 44 HA ALA 44 -5.024 1.583 -14.311 342 HB1 ALA 44 3HB ALA 44 -4.608 3.752 -15.388 343 HB2 ALA 44 1HB ALA 44 -3.834 2.440 -16.279 344 HB3 ALA 44 2HB ALA 44 -2.867 3.502 -15.249 345 H ALA 45 H ALA 45 -1.586 2.350 -13.516 346 HA ALA 45 HA ALA 45 -0.453 -0.047 -14.483 347 HB1 ALA 45 3HB ALA 45 1.544 0.587 -13.197 348 HB2 ALA 45 1HB ALA 45 0.607 1.795 -12.306 349 HB3 ALA 45 2HB ALA 45 0.873 1.980 -14.041 350 H ALA 46 H ALA 46 -2.102 0.678 -11.513 351 HA ALA 46 HA ALA 46 -1.172 -1.441 -9.875 352 HB1 ALA 46 3HB ALA 46 -3.756 0.130 -9.693 353 HB2 ALA 46 1HB ALA 46 -2.213 0.589 -8.970 354 HB3 ALA 46 2HB ALA 46 -3.053 -0.859 -8.410 355 H PHE 47 H PHE 47 -3.106 -1.638 -12.651 356 HA PHE 47 HA PHE 47 -5.201 -3.339 -12.070 357 HB2 PHE 47 2HB PHE 47 -5.348 -3.845 -14.405 358 HB3 PHE 47 3HB PHE 47 -4.723 -2.213 -14.293 359 HD1 PHE 47 HD1 PHE 47 -2.070 -1.975 -14.490 360 HD2 PHE 47 HD2 PHE 47 -4.272 -5.378 -15.845 361 HE1 PHE 47 HE1 PHE 47 -0.228 -2.557 -16.018 362 HE2 PHE 47 HE2 PHE 47 -2.421 -5.959 -17.361 363 HZ PHE 47 HZ PHE 47 -0.408 -4.548 -17.456 364 H ARG 48 H ARG 48 -1.842 -4.128 -12.422 365 HA ARG 48 HA ARG 48 -1.923 -6.906 -12.796 366 HB2 ARG 48 2HB ARG 48 0.177 -5.061 -11.584 367 HB3 ARG 48 3HB ARG 48 0.471 -6.768 -11.906 368 HG2 ARG 48 2HG ARG 48 0.021 -6.384 -14.314 369 HG3 ARG 48 3HG ARG 48 -0.240 -4.672 -13.982 370 HD2 ARG 48 2HD ARG 48 2.348 -6.151 -13.434 371 HD3 ARG 48 3HD ARG 48 2.034 -5.202 -14.886 372 HE ARG 48 HE ARG 48 1.632 -3.311 -13.149 373 HH11 ARG 48 1HH1 ARG 48 4.062 -5.834 -12.850 374 HH12 ARG 48 2HH1 ARG 48 5.161 -4.838 -11.944 375 HH21 ARG 48 1HH2 ARG 48 3.097 -1.988 -12.001 376 HH22 ARG 48 2HH2 ARG 48 4.609 -2.648 -11.460 377 H SER 49 H SER 49 -2.192 -4.978 -9.873 378 HA SER 49 HA SER 49 -2.225 -7.415 -8.181 379 HB2 SER 49 2HB SER 49 -1.181 -5.917 -6.392 380 HB3 SER 49 3HB SER 49 -0.136 -6.299 -7.761 381 HG SER 49 HG SER 49 -1.647 -4.029 -8.110 382 HA PRO 50 HA PRO 50 -6.425 -5.780 -7.523 383 HB2 PRO 50 2HB PRO 50 -7.141 -7.652 -5.552 384 HB3 PRO 50 3HB PRO 50 -7.275 -7.906 -7.302 385 HG2 PRO 50 2HG PRO 50 -5.111 -8.806 -5.438 386 HG3 PRO 50 3HG PRO 50 -5.863 -9.670 -6.799 387 HD2 PRO 50 2HD PRO 50 -3.435 -8.532 -7.047 388 HD3 PRO 50 3HD PRO 50 -4.586 -8.537 -8.402 389 H LEU 51 H LEU 51 -4.161 -6.456 -4.831 390 HA LEU 51 HA LEU 51 -5.575 -5.002 -2.845 391 HB2 LEU 51 2HB LEU 51 -3.921 -6.674 -2.205 392 HB3 LEU 51 3HB LEU 51 -2.636 -5.773 -2.995 393 HG LEU 51 HG LEU 51 -2.797 -3.976 -1.305 394 HD11 LEU 51 1HD1 LEU 51 -5.013 -5.576 0.006 395 HD12 LEU 51 2HD1 LEU 51 -5.190 -4.027 -0.819 396 HD13 LEU 51 3HD1 LEU 51 -4.245 -4.127 0.663 397 HD21 LEU 51 3HD2 LEU 51 -1.986 -5.189 0.660 398 HD22 LEU 51 1HD2 LEU 51 -1.305 -5.852 -0.825 399 HD23 LEU 51 2HD2 LEU 51 -2.611 -6.705 0.002 400 H ALA 52 H ALA 52 -2.964 -4.060 -5.103 401 HA ALA 52 HA ALA 52 -2.494 -1.449 -4.082 402 HB1 ALA 52 3HB ALA 52 -0.931 -2.545 -5.632 403 HB2 ALA 52 1HB ALA 52 -1.418 -0.958 -6.231 404 HB3 ALA 52 2HB ALA 52 -2.119 -2.422 -6.933 405 H ARG 53 H ARG 53 -4.755 -2.697 -6.531 406 HA ARG 53 HA ARG 53 -5.970 -0.324 -7.411 407 HB2 ARG 53 2HB ARG 53 -7.194 -3.102 -7.059 408 HB3 ARG 53 3HB ARG 53 -7.911 -1.804 -8.006 409 HG2 ARG 53 2HG ARG 53 -6.116 -1.871 -9.612 410 HG3 ARG 53 3HG ARG 53 -5.182 -2.977 -8.604 411 HD2 ARG 53 2HD ARG 53 -6.190 -4.176 -10.476 412 HD3 ARG 53 3HD ARG 53 -6.889 -4.735 -8.956 413 HE ARG 53 HE ARG 53 -8.658 -2.845 -9.750 414 HH11 ARG 53 1HH1 ARG 53 -7.291 -5.618 -11.472 415 HH12 ARG 53 2HH1 ARG 53 -8.698 -5.837 -12.462 416 HH21 ARG 53 1HH2 ARG 53 -10.500 -3.185 -11.030 417 HH22 ARG 53 2HH2 ARG 53 -10.523 -4.458 -12.213 418 H GLN 54 H GLN 54 -6.715 -2.425 -4.645 419 HA GLN 54 HA GLN 54 -9.028 -1.064 -3.684 420 HB2 GLN 54 2HB GLN 54 -7.054 -2.855 -2.207 421 HB3 GLN 54 3HB GLN 54 -8.631 -2.375 -1.593 422 HG2 GLN 54 2HG GLN 54 -9.757 -3.644 -3.316 423 HG3 GLN 54 3HG GLN 54 -8.226 -4.014 -4.108 424 HE21 GLN 54 1HE2 GLN 54 -10.176 -5.908 -3.139 425 HE22 GLN 54 2HE2 GLN 54 -9.386 -6.876 -1.943 426 H LEU 55 H LEU 55 -5.571 -0.708 -3.050 427 HA LEU 55 HA LEU 55 -5.810 1.172 -0.886 428 HB2 LEU 55 2HB LEU 55 -3.437 0.447 -2.653 429 HB3 LEU 55 3HB LEU 55 -3.330 1.508 -1.255 430 HG LEU 55 HG LEU 55 -4.151 -1.425 -1.147 431 HD11 LEU 55 1HD1 LEU 55 -1.976 -1.853 -0.120 432 HD12 LEU 55 2HD1 LEU 55 -1.520 -0.161 -0.333 433 HD13 LEU 55 3HD1 LEU 55 -1.791 -1.186 -1.743 434 HD21 LEU 55 3HD2 LEU 55 -3.952 -1.208 1.294 435 HD22 LEU 55 1HD2 LEU 55 -5.198 -0.140 0.650 436 HD23 LEU 55 2HD2 LEU 55 -3.631 0.520 1.127 437 H PHE 56 H PHE 56 -5.520 1.472 -4.403 438 HA PHE 56 HA PHE 56 -5.238 4.341 -4.432 439 HB2 PHE 56 2HB PHE 56 -5.742 2.245 -6.552 440 HB3 PHE 56 3HB PHE 56 -6.039 3.932 -6.949 441 HD1 PHE 56 HD1 PHE 56 -4.099 5.611 -6.477 442 HD2 PHE 56 HD2 PHE 56 -3.529 1.386 -6.813 443 HE1 PHE 56 HE1 PHE 56 -1.723 5.960 -6.989 444 HE2 PHE 56 HE2 PHE 56 -1.147 1.753 -7.318 445 HZ PHE 56 HZ PHE 56 -0.251 4.040 -7.405 446 H ARG 57 H ARG 57 -7.911 2.277 -3.860 447 HA ARG 57 HA ARG 57 -10.030 4.041 -4.642 448 HB2 ARG 57 2HB ARG 57 -9.918 1.783 -2.615 449 HB3 ARG 57 3HB ARG 57 -11.383 2.704 -2.928 450 HG2 ARG 57 2HG ARG 57 -11.422 1.938 -5.251 451 HG3 ARG 57 3HG ARG 57 -9.906 1.056 -5.006 452 HD2 ARG 57 2HD ARG 57 -11.991 -0.372 -4.876 453 HD3 ARG 57 3HD ARG 57 -10.946 -0.467 -3.457 454 HE ARG 57 HE ARG 57 -13.441 1.151 -3.583 455 HH11 ARG 57 1HH1 ARG 57 -11.273 -0.929 -1.748 456 HH12 ARG 57 2HH1 ARG 57 -12.242 -0.871 -0.314 457 HH21 ARG 57 1HH2 ARG 57 -14.680 1.235 -1.670 458 HH22 ARG 57 2HH2 ARG 57 -14.171 0.354 -0.268 459 H ILE 58 H ILE 58 -7.756 4.150 -2.084 460 HA ILE 58 HA ILE 58 -9.402 5.492 -0.112 461 HB ILE 58 HB ILE 58 -6.393 4.944 -0.234 462 HG12 ILE 58 2HG1 ILE 58 -8.540 3.510 1.401 463 HG13 ILE 58 3HG1 ILE 58 -7.892 2.908 -0.120 464 HG21 ILE 58 1HG2 ILE 58 -6.826 6.885 1.211 465 HG22 ILE 58 2HG2 ILE 58 -6.330 5.498 2.183 466 HG23 ILE 58 3HG2 ILE 58 -8.031 5.961 2.114 467 HD11 ILE 58 3HD1 ILE 58 -6.344 3.299 2.439 468 HD12 ILE 58 1HD1 ILE 58 -5.679 2.727 0.904 469 HD13 ILE 58 2HD1 ILE 58 -6.896 1.773 1.747 470 H GLU 59 H GLU 59 -9.857 7.601 -0.309 471 HA GLU 59 HA GLU 59 -8.845 9.225 -2.371 472 HB2 GLU 59 2HB GLU 59 -10.191 11.062 -1.291 473 HB3 GLU 59 3HB GLU 59 -11.090 9.601 -1.671 474 HG2 GLU 59 2HG GLU 59 -10.980 8.920 0.713 475 HG3 GLU 59 3HG GLU 59 -10.121 10.414 1.088 476 H GLY 60 H GLY 60 -6.884 9.994 -2.440 477 HA2 GLY 60 2HA GLY 60 -5.467 11.833 -1.627 478 HA3 GLY 60 3HA GLY 60 -5.577 11.119 -0.025 479 H VAL 61 H VAL 61 -5.358 8.557 -2.160 480 HA VAL 61 HA VAL 61 -2.502 8.205 -1.633 481 HB VAL 61 HB VAL 61 -4.575 6.330 -2.874 482 HG11 VAL 61 1HG1 VAL 61 -2.845 4.548 -2.815 483 HG12 VAL 61 2HG1 VAL 61 -1.625 5.740 -2.363 484 HG13 VAL 61 3HG1 VAL 61 -2.408 5.835 -3.942 485 HG21 VAL 61 3HG2 VAL 61 -3.094 6.248 -0.215 486 HG22 VAL 61 1HG2 VAL 61 -4.242 5.037 -0.793 487 HG23 VAL 61 2HG2 VAL 61 -4.793 6.675 -0.446 488 H LYS 62 H LYS 62 -1.037 8.909 -2.957 489 HA LYS 62 HA LYS 62 -1.514 9.718 -5.691 490 HB2 LYS 62 2HB LYS 62 -0.090 11.084 -4.249 491 HB3 LYS 62 3HB LYS 62 0.988 9.729 -3.949 492 HG2 LYS 62 2HG LYS 62 1.957 11.356 -5.527 493 HG3 LYS 62 3HG LYS 62 1.743 9.771 -6.280 494 HD2 LYS 62 2HD LYS 62 -0.335 10.586 -7.368 495 HD3 LYS 62 3HD LYS 62 -0.101 12.173 -6.625 496 HE2 LYS 62 2HE LYS 62 0.666 12.156 -8.966 497 HE3 LYS 62 3HE LYS 62 2.020 12.436 -7.869 498 HZ1 LYS 62 3HZ LYS 62 1.331 9.828 -9.117 499 HZ2 LYS 62 1HZ LYS 62 2.641 10.113 -8.097 500 HZ3 LYS 62 2HZ LYS 62 2.576 10.857 -9.613 501 H SER 63 H SER 63 0.396 7.204 -4.022 502 HA SER 63 HA SER 63 0.634 5.574 -6.398 503 HB2 SER 63 2HB SER 63 3.147 6.865 -5.220 504 HB3 SER 63 3HB SER 63 3.134 5.609 -6.459 505 HG SER 63 HG SER 63 1.647 7.331 -7.531 506 H VAL 64 H VAL 64 1.299 3.446 -5.897 507 HA VAL 64 HA VAL 64 1.822 2.795 -3.042 508 HB VAL 64 HB VAL 64 0.145 1.139 -5.008 509 HG11 VAL 64 1HG1 VAL 64 0.838 0.536 -2.105 510 HG12 VAL 64 2HG1 VAL 64 1.428 -0.337 -3.522 511 HG13 VAL 64 3HG1 VAL 64 -0.285 -0.387 -3.109 512 HG21 VAL 64 3HG2 VAL 64 -1.756 1.581 -3.486 513 HG22 VAL 64 1HG2 VAL 64 -1.115 3.073 -4.180 514 HG23 VAL 64 2HG2 VAL 64 -0.732 2.640 -2.512 515 H PHE 65 H PHE 65 3.487 1.415 -2.691 516 HA PHE 65 HA PHE 65 4.917 0.208 -4.997 517 HB2 PHE 65 2HB PHE 65 6.191 2.164 -4.206 518 HB3 PHE 65 3HB PHE 65 6.093 1.614 -2.537 519 HD1 PHE 65 HD2 PHE 65 7.497 0.703 -5.888 520 HD2 PHE 65 HD1 PHE 65 7.821 0.209 -1.649 521 HE1 PHE 65 HE2 PHE 65 9.624 -0.494 -6.181 522 HE2 PHE 65 HE1 PHE 65 9.948 -0.991 -1.958 523 HZ PHE 65 HZ PHE 65 10.847 -1.343 -4.222 524 H PHE 66 H PHE 66 5.271 -1.938 -4.734 525 HA PHE 66 HA PHE 66 4.903 -3.186 -2.073 526 HB2 PHE 66 2HB PHE 66 4.646 -4.329 -4.884 527 HB3 PHE 66 3HB PHE 66 4.682 -5.340 -3.450 528 HD1 PHE 66 HD2 PHE 66 2.880 -2.802 -2.106 529 HD2 PHE 66 HD1 PHE 66 2.492 -5.658 -5.271 530 HE1 PHE 66 HE2 PHE 66 0.431 -2.672 -1.941 531 HE2 PHE 66 HE1 PHE 66 0.043 -5.509 -5.080 532 HZ PHE 66 HZ PHE 66 -0.989 -4.018 -3.423 533 H GLY 67 H GLY 67 6.545 -4.144 -1.141 534 HA2 GLY 67 2HA GLY 67 9.100 -4.690 -2.522 535 HA3 GLY 67 3HA GLY 67 9.056 -3.694 -1.068 536 HA PRO 68 HA PRO 68 9.543 -8.382 -0.141 537 HB2 PRO 68 2HB PRO 68 11.852 -8.206 1.380 538 HB3 PRO 68 3HB PRO 68 11.841 -8.430 -0.381 539 HG2 PRO 68 2HG PRO 68 12.223 -5.899 1.181 540 HG3 PRO 68 3HG PRO 68 13.109 -6.481 -0.246 541 HD2 PRO 68 2HD PRO 68 11.166 -4.612 -0.474 542 HD3 PRO 68 3HD PRO 68 11.423 -5.843 -1.730 543 H ASP 69 H ASP 69 7.733 -8.371 1.075 544 HA ASP 69 HA ASP 69 6.296 -8.315 2.814 545 HB2 ASP 69 2HB ASP 69 8.080 -9.781 3.845 546 HB3 ASP 69 3HB ASP 69 8.788 -8.353 4.585 547 H SER 70 H SER 70 6.440 -5.989 1.652 548 HA SER 70 HA SER 70 5.810 -4.109 3.731 549 HB2 SER 70 2HB SER 70 7.481 -2.358 2.952 550 HB3 SER 70 3HB SER 70 8.196 -3.736 3.786 551 HG SER 70 HG SER 70 8.338 -4.548 1.434 552 H ILE 71 H ILE 71 4.560 -2.467 3.024 553 HA ILE 71 HA ILE 71 4.141 -2.041 0.125 554 HB ILE 71 HB ILE 71 1.989 -2.095 2.318 555 HG12 ILE 71 2HG1 ILE 71 2.304 -3.992 -0.059 556 HG13 ILE 71 3HG1 ILE 71 2.795 -4.376 1.583 557 HG21 ILE 71 1HG2 ILE 71 1.697 -1.509 -0.653 558 HG22 ILE 71 2HG2 ILE 71 1.481 -0.359 0.669 559 HG23 ILE 71 3HG2 ILE 71 0.361 -1.706 0.484 560 HD11 ILE 71 3HD1 ILE 71 0.692 -5.405 1.072 561 HD12 ILE 71 1HD1 ILE 71 -0.022 -3.847 0.653 562 HD13 ILE 71 2HD1 ILE 71 0.467 -4.181 2.318 563 H THR 72 H THR 72 5.155 -0.044 -0.104 564 HA THR 72 HA THR 72 4.918 1.962 2.012 565 HB THR 72 HB THR 72 6.542 2.021 -0.586 566 HG1 THR 72 HG1 THR 72 7.876 0.768 0.445 567 HG21 THR 72 3HG2 THR 72 7.836 3.815 0.518 568 HG22 THR 72 1HG2 THR 72 6.753 3.757 1.911 569 HG23 THR 72 2HG2 THR 72 6.146 4.284 0.339 570 H VAL 73 H VAL 73 3.136 3.226 1.867 571 HA VAL 73 HA VAL 73 1.770 3.625 -0.721 572 HB VAL 73 HB VAL 73 0.750 4.119 2.134 573 HG11 VAL 73 1HG1 VAL 73 -1.465 4.504 1.120 574 HG12 VAL 73 2HG1 VAL 73 -0.771 4.330 -0.495 575 HG13 VAL 73 3HG1 VAL 73 -0.288 5.682 0.533 576 HG21 VAL 73 3HG2 VAL 73 -0.015 1.908 0.186 577 HG22 VAL 73 1HG2 VAL 73 -0.747 2.192 1.768 578 HG23 VAL 73 2HG2 VAL 73 0.947 1.710 1.654 579 H THR 74 H THR 74 1.517 5.691 -1.454 580 HA THR 74 HA THR 74 2.927 7.900 -0.077 581 HB THR 74 HB THR 74 2.757 7.366 -3.089 582 HG1 THR 74 HG1 THR 74 4.241 5.943 -2.240 583 HG21 THR 74 3HG2 THR 74 2.875 9.786 -2.574 584 HG22 THR 74 1HG2 THR 74 4.367 9.217 -3.331 585 HG23 THR 74 2HG2 THR 74 4.315 9.508 -1.592 586 H LYS 75 H LYS 75 1.808 9.807 0.016 587 HA LYS 75 HA LYS 75 -1.006 9.831 -0.921 588 HB2 LYS 75 2HB LYS 75 -1.412 11.468 0.909 589 HB3 LYS 75 3HB LYS 75 -0.799 9.933 1.508 590 HG2 LYS 75 2HG LYS 75 1.487 10.984 1.658 591 HG3 LYS 75 3HG LYS 75 0.740 12.530 1.241 592 HD2 LYS 75 2HD LYS 75 -0.631 12.473 3.266 593 HD3 LYS 75 3HD LYS 75 -0.063 10.843 3.648 594 HE2 LYS 75 2HE LYS 75 1.096 12.455 5.049 595 HE3 LYS 75 3HE LYS 75 2.250 11.748 3.918 596 HZ1 LYS 75 3HZ LYS 75 1.008 14.438 3.801 597 HZ2 LYS 75 1HZ LYS 75 1.882 13.767 2.510 598 HZ3 LYS 75 2HZ LYS 75 2.643 14.052 3.985 599 H GLU 76 H GLU 76 -1.887 11.986 -1.445 600 HA GLU 76 HA GLU 76 -0.733 12.963 -3.760 601 HB2 GLU 76 2HB GLU 76 -2.862 14.175 -1.958 602 HB3 GLU 76 3HB GLU 76 -2.471 14.840 -3.538 603 HG2 GLU 76 2HG GLU 76 -3.359 11.973 -3.163 604 HG3 GLU 76 3HG GLU 76 -4.506 13.291 -3.389 605 H ASN 77 H ASN 77 -0.740 14.482 -0.524 606 HA ASN 77 HA ASN 77 1.617 16.034 -1.167 607 HB2 ASN 77 2HB ASN 77 0.530 18.239 -0.586 608 HB3 ASN 77 3HB ASN 77 -0.012 17.547 -2.112 609 HD21 ASN 77 1HD2 ASN 77 -1.909 18.745 -2.094 610 HD22 ASN 77 2HD2 ASN 77 -3.220 18.426 -1.019 611 H GLU 78 H GLU 78 2.199 17.494 0.684 612 HA GLU 78 HA GLU 78 2.285 16.044 3.161 613 HB2 GLU 78 2HB GLU 78 3.496 18.350 3.874 614 HB3 GLU 78 3HB GLU 78 4.291 17.119 2.911 615 HG2 GLU 78 2HG GLU 78 4.760 19.331 2.010 616 HG3 GLU 78 3HG GLU 78 3.848 18.360 0.863 617 H GLU 79 H GLU 79 0.170 18.434 1.892 618 HA GLU 79 HA GLU 79 -0.875 19.504 4.302 619 HB2 GLU 79 2HB GLU 79 -1.801 19.367 1.440 620 HB3 GLU 79 3HB GLU 79 -3.030 19.692 2.653 621 HG2 GLU 79 2HG GLU 79 -0.512 21.326 2.248 622 HG3 GLU 79 3HG GLU 79 -2.121 21.754 1.659 623 H LEU 80 H LEU 80 -1.613 16.558 2.470 624 HA LEU 80 HA LEU 80 -3.722 15.657 4.186 625 HB2 LEU 80 2HB LEU 80 -1.857 14.146 2.317 626 HB3 LEU 80 3HB LEU 80 -3.167 13.375 3.201 627 HG LEU 80 HG LEU 80 -3.534 15.561 1.122 628 HD11 LEU 80 1HD1 LEU 80 -2.713 13.489 0.124 629 HD12 LEU 80 2HD1 LEU 80 -4.387 13.792 -0.323 630 HD13 LEU 80 3HD1 LEU 80 -4.012 12.579 0.904 631 HD21 LEU 80 3HD2 LEU 80 -5.613 13.853 2.534 632 HD22 LEU 80 1HD2 LEU 80 -5.922 15.000 1.228 633 HD23 LEU 80 2HD2 LEU 80 -5.338 15.580 2.787 634 H ASP 81 H ASP 81 -3.516 14.947 6.164 635 HA ASP 81 HA ASP 81 -0.947 14.142 7.302 636 HB2 ASP 81 2HB ASP 81 -2.610 15.632 8.513 637 HB3 ASP 81 3HB ASP 81 -3.699 14.253 8.618 638 H TRP 82 H TRP 82 -0.486 12.028 8.039 639 HA TRP 82 HA TRP 82 -1.548 9.949 6.460 640 HB2 TRP 82 2HB TRP 82 0.486 10.028 8.676 641 HB3 TRP 82 3HB TRP 82 -0.189 8.457 8.259 642 HD1 TRP 82 HD1 TRP 82 2.701 10.472 7.375 643 HE1 TRP 82 HE1 TRP 82 3.650 9.811 5.072 644 HE3 TRP 82 HE3 TRP 82 -1.261 7.728 5.597 645 HZ2 TRP 82 HZ2 TRP 82 2.823 8.334 2.818 646 HZ3 TRP 82 HZ3 TRP 82 -1.094 6.731 3.352 647 HH2 TRP 82 HH2 TRP 82 0.913 7.031 1.993 648 H ASN 83 H ASN 83 -2.433 10.994 9.719 649 HA ASN 83 HA ASN 83 -3.655 8.595 10.600 650 HB2 ASN 83 2HB ASN 83 -4.085 11.483 11.456 651 HB3 ASN 83 3HB ASN 83 -4.935 10.144 12.214 652 HD21 ASN 83 1HD2 ASN 83 -1.950 11.855 12.031 653 HD22 ASN 83 2HD2 ASN 83 -1.117 10.944 13.233 654 H LEU 84 H LEU 84 -4.720 10.882 8.249 655 HA LEU 84 HA LEU 84 -7.555 10.346 8.402 656 HB2 LEU 84 2HB LEU 84 -5.956 11.496 6.077 657 HB3 LEU 84 3HB LEU 84 -7.695 11.607 6.302 658 HG LEU 84 HG LEU 84 -5.573 12.990 7.993 659 HD11 LEU 84 1HD1 LEU 84 -6.450 15.068 7.022 660 HD12 LEU 84 2HD1 LEU 84 -7.566 14.141 6.017 661 HD13 LEU 84 3HD1 LEU 84 -5.824 13.985 5.779 662 HD21 LEU 84 3HD2 LEU 84 -7.422 14.138 9.146 663 HD22 LEU 84 1HD2 LEU 84 -7.480 12.396 9.411 664 HD23 LEU 84 2HD2 LEU 84 -8.595 13.151 8.271 665 H LEU 85 H LEU 85 -4.817 9.163 6.456 666 HA LEU 85 HA LEU 85 -6.484 7.470 4.746 667 HB2 LEU 85 2HB LEU 85 -3.444 7.784 4.846 668 HB3 LEU 85 3HB LEU 85 -4.335 6.849 3.661 669 HG LEU 85 HG LEU 85 -5.495 9.144 3.074 670 HD11 LEU 85 1HD1 LEU 85 -4.598 10.441 4.933 671 HD12 LEU 85 2HD1 LEU 85 -4.133 11.136 3.382 672 HD13 LEU 85 3HD1 LEU 85 -2.957 10.211 4.324 673 HD21 LEU 85 3HD2 LEU 85 -3.788 9.623 1.377 674 HD22 LEU 85 1HD2 LEU 85 -4.079 7.890 1.523 675 HD23 LEU 85 2HD2 LEU 85 -2.631 8.603 2.238 676 H LYS 86 H LYS 86 -4.141 7.008 7.414 677 HA LYS 86 HA LYS 86 -3.474 4.359 7.018 678 HB2 LYS 86 2HB LYS 86 -3.574 5.925 9.603 679 HB3 LYS 86 3HB LYS 86 -2.894 4.306 9.484 680 HG2 LYS 86 2HG LYS 86 -1.266 5.179 7.768 681 HG3 LYS 86 3HG LYS 86 -1.893 6.801 8.078 682 HD2 LYS 86 2HD LYS 86 0.108 6.528 9.409 683 HD3 LYS 86 3HD LYS 86 -1.269 6.507 10.516 684 HE2 LYS 86 2HE LYS 86 -1.175 3.981 10.444 685 HE3 LYS 86 3HE LYS 86 0.308 4.120 9.504 686 HZ1 LYS 86 3HZ LYS 86 -0.134 5.009 12.297 687 HZ2 LYS 86 1HZ LYS 86 1.242 5.399 11.399 688 HZ3 LYS 86 2HZ LYS 86 0.896 3.785 11.750 689 HA PRO 87 HA PRO 87 -7.240 2.897 10.001 690 HB2 PRO 87 2HB PRO 87 -9.234 4.947 8.982 691 HB3 PRO 87 3HB PRO 87 -9.126 4.172 10.582 692 HG2 PRO 87 2HG PRO 87 -8.322 6.675 10.294 693 HG3 PRO 87 3HG PRO 87 -7.385 5.543 11.296 694 HD2 PRO 87 2HD PRO 87 -6.795 6.515 8.505 695 HD3 PRO 87 3HD PRO 87 -5.688 6.254 9.869 696 H ASP 88 H ASP 88 -7.859 4.529 6.913 697 HA ASP 88 HA ASP 88 -9.506 2.541 5.733 698 HB2 ASP 88 2HB ASP 88 -7.894 4.872 4.616 699 HB3 ASP 88 3HB ASP 88 -8.851 3.848 3.567 700 H ILE 89 H ILE 89 -5.996 3.180 5.619 701 HA ILE 89 HA ILE 89 -5.307 1.313 3.594 702 HB ILE 89 HB ILE 89 -3.584 2.547 5.800 703 HG12 ILE 89 2HG1 ILE 89 -3.818 3.255 2.833 704 HG13 ILE 89 3HG1 ILE 89 -4.564 4.156 4.143 705 HG21 ILE 89 1HG2 ILE 89 -2.633 0.990 3.365 706 HG22 ILE 89 2HG2 ILE 89 -2.513 0.460 5.044 707 HG23 ILE 89 3HG2 ILE 89 -1.596 1.863 4.496 708 HD11 ILE 89 3HD1 ILE 89 -1.609 3.854 3.638 709 HD12 ILE 89 1HD1 ILE 89 -2.331 4.701 5.011 710 HD13 ILE 89 2HD1 ILE 89 -2.600 5.289 3.372 711 H TYR 90 H TYR 90 -5.121 1.067 7.167 712 HA TYR 90 HA TYR 90 -4.173 -1.569 7.354 713 HB2 TYR 90 2HB TYR 90 -5.820 0.101 9.293 714 HB3 TYR 90 3HB TYR 90 -5.232 -1.506 9.700 715 HD1 TYR 90 HD2 TYR 90 -2.466 -1.407 8.502 716 HD2 TYR 90 HD1 TYR 90 -4.610 1.484 10.806 717 HE1 TYR 90 HE2 TYR 90 -0.347 -0.507 9.355 718 HE2 TYR 90 HE1 TYR 90 -2.485 2.379 11.661 719 HH TYR 90 HH TYR 90 -0.114 1.501 12.002 720 H ALA 91 H ALA 91 -7.510 -0.303 7.396 721 HA ALA 91 HA ALA 91 -8.908 -2.689 7.848 722 HB1 ALA 91 3HB ALA 91 -9.806 -0.266 6.253 723 HB2 ALA 91 1HB ALA 91 -9.920 -0.444 8.003 724 HB3 ALA 91 2HB ALA 91 -10.863 -1.499 6.949 725 H THR 92 H THR 92 -8.040 -1.111 4.779 726 HA THR 92 HA THR 92 -9.143 -2.919 2.954 727 HB THR 92 HB THR 92 -6.736 -1.074 2.634 728 HG1 THR 92 HG1 THR 92 -8.212 0.426 2.575 729 HG21 THR 92 3HG2 THR 92 -6.780 -2.739 0.809 730 HG22 THR 92 1HG2 THR 92 -7.209 -1.128 0.218 731 HG23 THR 92 2HG2 THR 92 -8.467 -2.335 0.481 732 H ILE 93 H ILE 93 -5.784 -2.764 4.214 733 HA ILE 93 HA ILE 93 -4.737 -4.893 2.661 734 HB ILE 93 HB ILE 93 -3.687 -3.652 5.250 735 HG12 ILE 93 2HG1 ILE 93 -2.826 -3.263 2.340 736 HG13 ILE 93 3HG1 ILE 93 -3.732 -2.104 3.303 737 HG21 ILE 93 1HG2 ILE 93 -1.514 -4.729 4.796 738 HG22 ILE 93 2HG2 ILE 93 -2.211 -5.571 3.412 739 HG23 ILE 93 3HG2 ILE 93 -2.778 -5.938 5.040 740 HD11 ILE 93 3HD1 ILE 93 -1.428 -1.434 3.130 741 HD12 ILE 93 1HD1 ILE 93 -0.882 -2.983 3.778 742 HD13 ILE 93 2HD1 ILE 93 -1.792 -1.866 4.800 743 H MET 94 H MET 94 -5.846 -4.801 6.094 744 HA MET 94 HA MET 94 -5.319 -7.504 6.699 745 HB2 MET 94 2HB MET 94 -7.333 -5.611 7.980 746 HB3 MET 94 3HB MET 94 -6.949 -7.206 8.617 747 HG2 MET 94 2HG MET 94 -4.588 -6.487 8.904 748 HG3 MET 94 3HG MET 94 -5.040 -4.873 8.356 749 HE1 MET 94 3HE MET 94 -6.858 -3.315 9.718 750 HE2 MET 94 1HE MET 94 -7.569 -3.812 11.254 751 HE3 MET 94 2HE MET 94 -8.019 -4.642 9.766 752 H ASP 95 H ASP 95 -8.326 -5.944 5.532 753 HA ASP 95 HA ASP 95 -10.017 -8.161 5.445 754 HB2 ASP 95 2HB ASP 95 -10.868 -5.902 5.087 755 HB3 ASP 95 3HB ASP 95 -9.933 -5.723 3.610 756 H PHE 96 H PHE 96 -7.733 -7.004 2.983 757 HA PHE 96 HA PHE 96 -8.370 -8.762 0.892 758 HB2 PHE 96 2HB PHE 96 -6.993 -6.736 0.564 759 HB3 PHE 96 3HB PHE 96 -5.696 -7.440 1.524 760 HD1 PHE 96 HD2 PHE 96 -7.592 -7.784 -1.666 761 HD2 PHE 96 HD1 PHE 96 -4.086 -8.937 0.507 762 HE1 PHE 96 HE2 PHE 96 -6.654 -8.797 -3.699 763 HE2 PHE 96 HE1 PHE 96 -3.166 -9.952 -1.535 764 HZ PHE 96 HZ PHE 96 -4.443 -9.879 -3.635 765 H PHE 97 H PHE 97 -5.894 -9.048 3.436 766 HA PHE 97 HA PHE 97 -4.967 -11.642 2.588 767 HB2 PHE 97 2HB PHE 97 -4.431 -9.976 5.073 768 HB3 PHE 97 3HB PHE 97 -3.736 -11.582 4.854 769 HD1 PHE 97 HD2 PHE 97 -2.111 -11.998 2.987 770 HD2 PHE 97 HD1 PHE 97 -3.521 -8.065 3.851 771 HE1 PHE 97 HE2 PHE 97 -0.246 -11.033 1.704 772 HE2 PHE 97 HE1 PHE 97 -1.663 -7.114 2.554 773 HZ PHE 97 HZ PHE 97 -0.028 -8.596 1.489 774 H ALA 98 H ALA 98 -7.377 -10.506 4.898 775 HA ALA 98 HA ALA 98 -7.963 -12.999 6.129 776 HB1 ALA 98 3HB ALA 98 -8.724 -10.867 7.082 777 HB2 ALA 98 1HB ALA 98 -10.086 -11.952 6.811 778 HB3 ALA 98 2HB ALA 98 -9.796 -10.605 5.704 779 H SER 99 H SER 99 -8.981 -11.487 3.122 780 HA SER 99 HA SER 99 -10.992 -13.415 2.404 781 HB2 SER 99 2HB SER 99 -11.032 -11.093 1.528 782 HB3 SER 99 3HB SER 99 -9.521 -11.379 0.664 783 HG SER 99 HG SER 99 -11.802 -13.007 0.249 784 H GLY 100 H GLY 100 -7.530 -13.115 2.020 785 HA2 GLY 100 2HA GLY 100 -5.928 -14.581 1.318 786 HA3 GLY 100 3HA GLY 100 -7.152 -15.840 1.356 787 H LEU 101 H LEU 101 -6.394 -12.958 -0.589 788 HA LEU 101 HA LEU 101 -7.018 -14.432 -3.089 789 HB2 LEU 101 2HB LEU 101 -6.924 -11.428 -2.558 790 HB3 LEU 101 3HB LEU 101 -7.274 -12.164 -4.115 791 HG LEU 101 HG LEU 101 -9.009 -12.355 -1.620 792 HD11 LEU 101 1HD1 LEU 101 -10.621 -11.009 -2.887 793 HD12 LEU 101 2HD1 LEU 101 -9.475 -10.871 -4.224 794 HD13 LEU 101 3HD1 LEU 101 -9.100 -10.151 -2.656 795 HD21 LEU 101 3HD2 LEU 101 -9.486 -13.545 -4.374 796 HD22 LEU 101 1HD2 LEU 101 -10.662 -13.504 -3.055 797 HD23 LEU 101 2HD2 LEU 101 -9.177 -14.434 -2.881 798 HA PRO 102 HA PRO 102 -2.648 -14.207 -4.355 799 HB2 PRO 102 2HB PRO 102 -2.962 -13.479 -7.062 800 HB3 PRO 102 3HB PRO 102 -3.051 -15.140 -6.442 801 HG2 PRO 102 2HG PRO 102 -5.285 -13.246 -7.067 802 HG3 PRO 102 3HG PRO 102 -5.176 -14.993 -7.374 803 HD2 PRO 102 2HD PRO 102 -6.632 -14.054 -5.327 804 HD3 PRO 102 3HD PRO 102 -5.687 -15.550 -5.152 805 H LEU 103 H LEU 103 -1.387 -12.591 -3.734 806 HA LEU 103 HA LEU 103 -2.120 -9.998 -3.179 807 HB2 LEU 103 2HB LEU 103 -0.133 -11.411 -2.340 808 HB3 LEU 103 3HB LEU 103 0.730 -10.896 -3.772 809 HG LEU 103 HG LEU 103 1.312 -9.666 -1.640 810 HD11 LEU 103 1HD1 LEU 103 1.445 -7.433 -2.584 811 HD12 LEU 103 2HD1 LEU 103 0.269 -7.861 -3.831 812 HD13 LEU 103 3HD1 LEU 103 1.850 -8.646 -3.798 813 HD21 LEU 103 3HD2 LEU 103 -0.192 -7.979 -0.754 814 HD22 LEU 103 1HD2 LEU 103 -0.947 -9.570 -0.683 815 HD23 LEU 103 2HD2 LEU 103 -1.433 -8.419 -1.930 816 H VAL 104 H VAL 104 -0.203 -11.147 -5.912 817 HA VAL 104 HA VAL 104 -1.140 -8.899 -7.590 818 HB VAL 104 HB VAL 104 1.570 -10.309 -7.833 819 HG11 VAL 104 1HG1 VAL 104 0.635 -9.516 -9.980 820 HG12 VAL 104 2HG1 VAL 104 2.096 -8.644 -9.531 821 HG13 VAL 104 3HG1 VAL 104 0.518 -7.879 -9.323 822 HG21 VAL 104 3HG2 VAL 104 1.053 -7.486 -6.815 823 HG22 VAL 104 1HG2 VAL 104 2.637 -8.220 -7.086 824 HG23 VAL 104 2HG2 VAL 104 1.570 -8.857 -5.834 825 H THR 105 H THR 105 -2.457 -9.699 -9.131 826 HA THR 105 HA THR 105 -2.744 -12.534 -9.608 827 HB THR 105 HB THR 105 -4.472 -11.709 -11.346 828 HG1 THR 105 HG1 THR 105 -4.752 -9.603 -11.596 829 HG21 THR 105 3HG2 THR 105 -5.182 -12.388 -9.092 830 HG22 THR 105 1HG2 THR 105 -6.109 -10.991 -9.634 831 HG23 THR 105 2HG2 THR 105 -4.799 -10.780 -8.467 832 H GLU 106 H GLU 106 -1.354 -9.781 -11.320 833 HA GLU 106 HA GLU 106 -0.331 -11.527 -13.507 834 HB2 GLU 106 2HB GLU 106 -1.238 -8.606 -13.774 835 HB3 GLU 106 3HB GLU 106 -0.674 -9.656 -15.072 836 HG2 GLU 106 2HG GLU 106 -2.643 -11.070 -14.850 837 HG3 GLU 106 3HG GLU 106 -3.194 -10.130 -13.463 838 H GLU 107 H GLU 107 1.867 -11.640 -13.149 839 HA GLU 107 HA GLU 107 3.275 -9.852 -11.453 840 HB2 GLU 107 2HB GLU 107 4.272 -12.021 -13.340 841 HB3 GLU 107 3HB GLU 107 5.312 -11.164 -12.211 842 HG2 GLU 107 2HG GLU 107 2.962 -12.942 -11.485 843 HG3 GLU 107 3HG GLU 107 4.670 -13.347 -11.323 Start of MODEL 9 1 H1 MET 1 1H MET 1 3.225 -36.900 14.415 2 H2 MET 1 2H MET 1 2.987 -37.629 15.915 3 H3 MET 1 3H MET 1 3.879 -38.425 14.726 4 HA MET 1 HA MET 1 5.316 -37.519 16.404 5 HB2 MET 1 2HB MET 1 5.511 -36.091 13.708 6 HB3 MET 1 3HB MET 1 6.812 -36.111 14.898 7 HG2 MET 1 2HG MET 1 7.235 -37.745 13.153 8 HG3 MET 1 3HG MET 1 6.947 -38.569 14.687 9 HE1 MET 1 3HE MET 1 5.434 -41.088 12.069 10 HE2 MET 1 1HE MET 1 6.493 -40.930 13.470 11 HE3 MET 1 2HE MET 1 6.912 -40.132 11.952 12 H GLY 2 H GLY 2 3.712 -34.836 14.602 13 HA2 GLY 2 2HA GLY 2 4.611 -32.789 16.381 14 HA3 GLY 2 3HA GLY 2 3.432 -32.623 15.090 15 H HIS 3 H HIS 3 1.722 -34.700 16.196 16 HA HIS 3 HA HIS 3 -0.245 -34.788 17.204 17 HB2 HIS 3 2HB HIS 3 -0.251 -34.933 19.687 18 HB3 HIS 3 3HB HIS 3 0.992 -35.897 18.908 19 HD1 HIS 3 HD1 HIS 3 0.532 -32.918 21.168 20 HD2 HIS 3 HD2 HIS 3 3.645 -35.197 19.605 21 HE1 HIS 3 HE1 HIS 3 2.585 -32.210 22.423 22 HE2 HIS 3 HE2 HIS 3 4.461 -33.546 21.418 23 H HIS 4 H HIS 4 1.030 -32.044 19.188 24 HA HIS 4 HA HIS 4 -1.465 -30.569 18.573 25 HB2 HIS 4 2HB HIS 4 -1.479 -31.170 20.926 26 HB3 HIS 4 3HB HIS 4 0.179 -30.629 21.147 27 HD1 HIS 4 HD1 HIS 4 0.556 -28.133 21.576 28 HD2 HIS 4 HD2 HIS 4 -3.426 -29.052 20.811 29 HE1 HIS 4 HE1 HIS 4 -0.726 -26.045 22.104 30 HE2 HIS 4 HE2 HIS 4 -3.094 -26.567 21.457 31 H HIS 5 H HIS 5 -0.566 -29.497 16.784 32 HA HIS 5 HA HIS 5 1.446 -27.426 17.354 33 HB2 HIS 5 2HB HIS 5 -0.047 -28.208 14.812 34 HB3 HIS 5 3HB HIS 5 0.978 -26.780 14.906 35 HD1 HIS 5 HD1 HIS 5 1.197 -29.987 13.580 36 HD2 HIS 5 HD2 HIS 5 3.700 -27.805 16.076 37 HE1 HIS 5 HE1 HIS 5 3.478 -30.991 13.299 38 HE2 HIS 5 HE2 HIS 5 4.914 -29.785 14.963 39 H HIS 6 H HIS 6 0.839 -25.176 16.677 40 HA HIS 6 HA HIS 6 -1.969 -24.450 16.726 41 HB2 HIS 6 2HB HIS 6 -1.443 -24.558 19.155 42 HB3 HIS 6 3HB HIS 6 -0.083 -23.463 18.926 43 HD1 HIS 6 HD1 HIS 6 -3.857 -23.435 18.401 44 HD2 HIS 6 HD2 HIS 6 -0.756 -20.843 19.338 45 HE1 HIS 6 HE1 HIS 6 -4.946 -21.225 18.835 46 HE2 HIS 6 HE2 HIS 6 -3.072 -19.748 19.602 47 H HIS 7 H HIS 7 -1.500 -23.783 14.645 48 HA HIS 7 HA HIS 7 0.326 -21.477 14.336 49 HB2 HIS 7 2HB HIS 7 0.869 -23.469 12.924 50 HB3 HIS 7 3HB HIS 7 -0.722 -23.359 12.171 51 HD1 HIS 7 HD1 HIS 7 -0.809 -21.953 10.080 52 HD2 HIS 7 HD2 HIS 7 2.458 -20.981 12.459 53 HE1 HIS 7 HE1 HIS 7 0.492 -20.240 8.783 54 HE2 HIS 7 HE2 HIS 7 2.545 -19.831 10.165 55 H HIS 8 H HIS 8 -0.990 -19.784 14.834 56 HA HIS 8 HA HIS 8 -3.501 -19.399 13.323 57 HB2 HIS 8 2HB HIS 8 -4.008 -17.589 14.926 58 HB3 HIS 8 3HB HIS 8 -3.675 -19.094 15.775 59 HD1 HIS 8 HD1 HIS 8 -2.485 -15.597 15.425 60 HD2 HIS 8 HD2 HIS 8 -1.210 -19.095 17.272 61 HE1 HIS 8 HE1 HIS 8 -0.678 -14.897 17.021 62 HE2 HIS 8 HE2 HIS 8 0.015 -17.014 18.184 63 H SER 9 H SER 9 -3.702 -17.706 11.861 64 HA SER 9 HA SER 9 -1.298 -16.604 10.748 65 HB2 SER 9 2HB SER 9 -3.267 -17.173 9.327 66 HB3 SER 9 3HB SER 9 -4.206 -15.908 10.121 67 HG SER 9 HG SER 9 -2.616 -15.673 8.022 68 H HIS 10 H HIS 10 -0.263 -15.249 12.068 69 HA HIS 10 HA HIS 10 -1.593 -13.296 13.747 70 HB2 HIS 10 2HB HIS 10 0.739 -12.738 14.502 71 HB3 HIS 10 3HB HIS 10 0.338 -14.438 14.680 72 HD1 HIS 10 HD1 HIS 10 2.745 -12.153 13.068 73 HD2 HIS 10 HD2 HIS 10 1.714 -16.175 12.819 74 HE1 HIS 10 HE1 HIS 10 4.631 -13.261 11.833 75 HE2 HIS 10 HE2 HIS 10 3.982 -15.685 11.680 76 H MET 11 H MET 11 -2.394 -11.511 12.752 77 HA MET 11 HA MET 11 -0.856 -10.269 10.539 78 HB2 MET 11 2HB MET 11 -3.141 -11.213 9.973 79 HB3 MET 11 3HB MET 11 -3.849 -10.006 11.044 80 HG2 MET 11 2HG MET 11 -3.962 -9.271 8.721 81 HG3 MET 11 3HG MET 11 -2.881 -8.216 9.642 82 HE1 MET 11 3HE MET 11 -1.153 -8.261 6.125 83 HE2 MET 11 1HE MET 11 -1.867 -7.259 7.386 84 HE3 MET 11 2HE MET 11 -2.893 -8.314 6.411 85 H PHE 12 H PHE 12 0.405 -8.964 11.794 86 HA PHE 12 HA PHE 12 -0.906 -6.636 13.070 87 HB2 PHE 12 2HB PHE 12 1.835 -7.841 13.707 88 HB3 PHE 12 3HB PHE 12 1.170 -6.380 14.435 89 HD1 PHE 12 HD2 PHE 12 -0.872 -6.552 15.923 90 HD2 PHE 12 HD1 PHE 12 1.240 -10.018 14.562 91 HE1 PHE 12 HE2 PHE 12 -1.936 -7.900 17.687 92 HE2 PHE 12 HE1 PHE 12 0.163 -11.358 16.324 93 HZ PHE 12 HZ PHE 12 -1.421 -10.298 17.888 94 H ILE 13 H ILE 13 -0.695 -4.835 11.805 95 HA ILE 13 HA ILE 13 1.475 -4.704 9.811 96 HB ILE 13 HB ILE 13 -0.968 -2.870 10.096 97 HG12 ILE 13 2HG1 ILE 13 -0.512 -5.187 8.153 98 HG13 ILE 13 3HG1 ILE 13 -1.679 -5.156 9.468 99 HG21 ILE 13 1HG2 ILE 13 -0.343 -2.040 7.840 100 HG22 ILE 13 2HG2 ILE 13 1.078 -3.086 7.840 101 HG23 ILE 13 3HG2 ILE 13 0.958 -1.765 9.002 102 HD11 ILE 13 3HD1 ILE 13 -2.889 -3.352 8.350 103 HD12 ILE 13 1HD1 ILE 13 -2.751 -4.794 7.346 104 HD13 ILE 13 2HD1 ILE 13 -1.724 -3.399 7.020 105 H GLN 14 H GLN 14 3.231 -3.690 10.527 106 HA GLN 14 HA GLN 14 3.040 -1.544 12.567 107 HB2 GLN 14 2HB GLN 14 5.486 -2.057 12.973 108 HB3 GLN 14 3HB GLN 14 4.401 -3.388 13.355 109 HG2 GLN 14 2HG GLN 14 4.956 -4.394 11.120 110 HG3 GLN 14 3HG GLN 14 6.171 -3.135 10.910 111 HE21 GLN 14 1HE2 GLN 14 6.468 -6.066 11.074 112 HE22 GLN 14 2HE2 GLN 14 7.577 -6.345 12.368 113 H THR 15 H THR 15 3.887 0.449 12.092 114 HA THR 15 HA THR 15 4.594 0.967 9.262 115 HB THR 15 HB THR 15 4.176 3.412 9.863 116 HG1 THR 15 HG1 THR 15 3.240 3.889 11.821 117 HG21 THR 15 3HG2 THR 15 2.408 2.072 8.759 118 HG22 THR 15 1HG2 THR 15 1.720 3.247 9.883 119 HG23 THR 15 2HG2 THR 15 1.820 1.545 10.338 120 H GLN 16 H GLN 16 6.512 1.788 8.704 121 HA GLN 16 HA GLN 16 8.534 2.398 10.773 122 HB2 GLN 16 2HB GLN 16 8.978 0.217 9.673 123 HB3 GLN 16 3HB GLN 16 8.895 0.973 8.086 124 HG2 GLN 16 2HG GLN 16 11.216 0.502 8.830 125 HG3 GLN 16 3HG GLN 16 10.932 2.208 8.496 126 HE21 GLN 16 1HE2 GLN 16 11.436 -0.160 11.031 127 HE22 GLN 16 2HE2 GLN 16 11.873 0.967 12.267 128 H ASP 17 H ASP 17 9.505 4.331 10.549 129 HA ASP 17 HA ASP 17 8.449 6.341 8.877 130 HB2 ASP 17 2HB ASP 17 10.993 6.299 10.565 131 HB3 ASP 17 3HB ASP 17 10.340 7.749 9.808 132 H THR 18 H THR 18 9.224 7.266 7.048 133 HA THR 18 HA THR 18 11.347 5.864 5.539 134 HB THR 18 HB THR 18 8.883 6.926 4.118 135 HG1 THR 18 HG1 THR 18 8.978 4.687 5.828 136 HG21 THR 18 3HG2 THR 18 10.737 5.925 2.781 137 HG22 THR 18 1HG2 THR 18 9.231 5.013 2.621 138 HG23 THR 18 2HG2 THR 18 10.523 4.406 3.661 139 HA PRO 19 HA PRO 19 13.348 9.766 5.486 140 HB2 PRO 19 2HB PRO 19 13.983 9.345 2.560 141 HB3 PRO 19 3HB PRO 19 15.081 9.670 3.920 142 HG2 PRO 19 2HG PRO 19 14.926 7.218 2.942 143 HG3 PRO 19 3HG PRO 19 14.995 7.459 4.704 144 HD2 PRO 19 2HD PRO 19 12.601 6.828 2.980 145 HD3 PRO 19 3HD PRO 19 13.039 6.173 4.570 146 H ASN 20 H ASN 20 11.281 9.364 2.617 147 HA ASN 20 HA ASN 20 10.734 12.236 2.390 148 HB2 ASN 20 2HB ASN 20 11.003 10.812 0.350 149 HB3 ASN 20 3HB ASN 20 9.610 9.856 0.827 150 HD21 ASN 20 1HD2 ASN 20 10.032 11.339 -1.627 151 HD22 ASN 20 2HD2 ASN 20 8.748 12.491 -1.741 152 HA PRO 21 HA PRO 21 7.471 11.647 5.553 153 HB2 PRO 21 2HB PRO 21 6.671 14.429 4.743 154 HB3 PRO 21 3HB PRO 21 7.080 13.787 6.349 155 HG2 PRO 21 2HG PRO 21 8.801 15.356 5.068 156 HG3 PRO 21 3HG PRO 21 9.383 13.951 5.994 157 HD2 PRO 21 2HD PRO 21 9.015 14.224 3.005 158 HD3 PRO 21 3HD PRO 21 10.363 13.500 3.920 159 H ASN 22 H ASN 22 6.846 12.515 2.213 160 HA ASN 22 HA ASN 22 3.963 12.068 2.375 161 HB2 ASN 22 2HB ASN 22 5.816 12.666 0.039 162 HB3 ASN 22 3HB ASN 22 4.115 12.282 -0.196 163 HD21 ASN 22 1HD2 ASN 22 5.461 14.705 -0.908 164 HD22 ASN 22 2HD2 ASN 22 4.705 15.990 -0.035 165 H SER 23 H SER 23 6.660 10.046 2.190 166 HA SER 23 HA SER 23 4.983 7.793 1.203 167 HB2 SER 23 2HB SER 23 7.107 6.603 0.685 168 HB3 SER 23 3HB SER 23 7.008 8.126 -0.196 169 HG SER 23 HG SER 23 8.244 8.342 2.253 170 H LEU 24 H LEU 24 4.678 6.075 2.578 171 HA LEU 24 HA LEU 24 6.254 5.886 5.061 172 HB2 LEU 24 2HB LEU 24 4.107 7.044 5.581 173 HB3 LEU 24 3HB LEU 24 3.220 5.672 4.940 174 HG LEU 24 HG LEU 24 4.121 4.229 6.754 175 HD11 LEU 24 1HD1 LEU 24 5.351 5.201 8.647 176 HD12 LEU 24 2HD1 LEU 24 5.461 6.742 7.794 177 HD13 LEU 24 3HD1 LEU 24 6.268 5.312 7.146 178 HD21 LEU 24 3HD2 LEU 24 1.975 5.366 7.093 179 HD22 LEU 24 1HD2 LEU 24 2.802 6.764 7.784 180 HD23 LEU 24 2HD2 LEU 24 2.845 5.205 8.615 181 H LYS 25 H LYS 25 6.792 3.867 5.623 182 HA LYS 25 HA LYS 25 6.256 1.684 3.769 183 HB2 LYS 25 2HB LYS 25 8.564 2.319 4.495 184 HB3 LYS 25 3HB LYS 25 8.130 1.966 6.164 185 HG2 LYS 25 2HG LYS 25 7.815 -0.418 5.559 186 HG3 LYS 25 3HG LYS 25 8.305 -0.051 3.898 187 HD2 LYS 25 2HD LYS 25 10.518 0.745 4.757 188 HD3 LYS 25 3HD LYS 25 10.013 0.322 6.396 189 HE2 LYS 25 2HE LYS 25 11.424 -1.429 5.558 190 HE3 LYS 25 3HE LYS 25 9.778 -2.056 5.647 191 HZ1 LYS 25 3HZ LYS 25 9.570 -1.651 3.260 192 HZ2 LYS 25 1HZ LYS 25 10.837 -2.715 3.600 193 HZ3 LYS 25 2HZ LYS 25 11.165 -1.107 3.196 194 H PHE 26 H PHE 26 4.552 0.394 4.220 195 HA PHE 26 HA PHE 26 3.576 -0.028 6.983 196 HB2 PHE 26 2HB PHE 26 2.168 -0.399 4.285 197 HB3 PHE 26 3HB PHE 26 1.470 -0.860 5.832 198 HD1 PHE 26 HD2 PHE 26 2.498 2.030 3.733 199 HD2 PHE 26 HD1 PHE 26 0.461 0.784 7.282 200 HE1 PHE 26 HE2 PHE 26 1.518 4.276 3.964 201 HE2 PHE 26 HE1 PHE 26 -0.515 3.033 7.505 202 HZ PHE 26 HZ PHE 26 0.014 4.779 5.850 203 H ILE 27 H ILE 27 4.729 -1.777 7.697 204 HA ILE 27 HA ILE 27 5.277 -4.075 5.981 205 HB ILE 27 HB ILE 27 5.940 -3.630 8.933 206 HG12 ILE 27 2HG1 ILE 27 7.832 -3.206 6.572 207 HG13 ILE 27 3HG1 ILE 27 6.962 -1.898 7.365 208 HG21 ILE 27 1HG2 ILE 27 7.108 -5.647 6.968 209 HG22 ILE 27 2HG2 ILE 27 5.986 -6.014 8.278 210 HG23 ILE 27 3HG2 ILE 27 7.608 -5.431 8.649 211 HD11 ILE 27 3HD1 ILE 27 9.029 -3.691 8.627 212 HD12 ILE 27 1HD1 ILE 27 8.110 -2.436 9.468 213 HD13 ILE 27 2HD1 ILE 27 9.212 -1.998 8.165 214 HA PRO 28 HA PRO 28 1.276 -5.588 7.738 215 HB2 PRO 28 2HB PRO 28 0.683 -7.439 5.842 216 HB3 PRO 28 3HB PRO 28 0.535 -5.700 5.518 217 HG2 PRO 28 2HG PRO 28 2.752 -7.566 4.746 218 HG3 PRO 28 3HG PRO 28 1.943 -6.319 3.769 219 HD2 PRO 28 2HD PRO 28 4.360 -5.919 5.015 220 HD3 PRO 28 3HD PRO 28 3.214 -4.606 4.665 221 H GLY 29 H GLY 29 4.287 -7.070 7.426 222 HA2 GLY 29 2HA GLY 29 5.295 -8.745 8.631 223 HA3 GLY 29 3HA GLY 29 3.756 -9.116 9.384 224 H LYS 30 H LYS 30 3.410 -8.971 6.071 225 HA LYS 30 HA LYS 30 3.865 -11.846 5.656 226 HB2 LYS 30 2HB LYS 30 1.377 -10.220 4.957 227 HB3 LYS 30 3HB LYS 30 1.740 -11.762 4.181 228 HG2 LYS 30 2HG LYS 30 1.707 -12.878 6.397 229 HG3 LYS 30 3HG LYS 30 1.306 -11.337 7.159 230 HD2 LYS 30 2HD LYS 30 -0.839 -11.263 6.014 231 HD3 LYS 30 3HD LYS 30 -0.429 -12.694 5.059 232 HE2 LYS 30 2HE LYS 30 -1.953 -13.261 6.898 233 HE3 LYS 30 3HE LYS 30 -0.397 -14.062 7.107 234 HZ1 LYS 30 3HZ LYS 30 -1.331 -11.628 8.531 235 HZ2 LYS 30 1HZ LYS 30 0.208 -12.310 8.698 236 HZ3 LYS 30 2HZ LYS 30 -1.157 -13.177 9.186 237 HA PRO 31 HA PRO 31 6.317 -9.959 2.392 238 HB2 PRO 31 2HB PRO 31 7.017 -12.303 1.074 239 HB3 PRO 31 3HB PRO 31 7.813 -11.715 2.547 240 HG2 PRO 31 2HG PRO 31 5.685 -13.802 2.265 241 HG3 PRO 31 3HG PRO 31 7.128 -13.795 3.305 242 HD2 PRO 31 2HD PRO 31 4.672 -13.210 4.284 243 HD3 PRO 31 3HD PRO 31 6.140 -12.418 4.904 244 H VAL 32 H VAL 32 4.939 -8.811 1.160 245 HA VAL 32 HA VAL 32 2.774 -9.857 -0.345 246 HB VAL 32 HB VAL 32 2.539 -7.590 -1.304 247 HG11 VAL 32 1HG1 VAL 32 3.130 -7.546 1.684 248 HG12 VAL 32 2HG1 VAL 32 1.604 -8.003 0.923 249 HG13 VAL 32 3HG1 VAL 32 2.179 -6.343 0.805 250 HG21 VAL 32 3HG2 VAL 32 4.078 -5.754 -0.726 251 HG22 VAL 32 1HG2 VAL 32 4.917 -7.017 -1.630 252 HG23 VAL 32 2HG2 VAL 32 5.138 -6.890 0.115 253 H LEU 33 H LEU 33 6.083 -8.916 -1.214 254 HA LEU 33 HA LEU 33 6.042 -10.768 -3.481 255 HB2 LEU 33 2HB LEU 33 6.770 -7.818 -3.696 256 HB3 LEU 33 3HB LEU 33 7.365 -9.001 -4.848 257 HG LEU 33 HG LEU 33 4.428 -8.344 -4.387 258 HD11 LEU 33 1HD1 LEU 33 5.618 -6.474 -5.425 259 HD12 LEU 33 2HD1 LEU 33 4.501 -7.230 -6.556 260 HD13 LEU 33 3HD1 LEU 33 6.235 -7.543 -6.689 261 HD21 LEU 33 3HD2 LEU 33 4.023 -9.694 -6.417 262 HD22 LEU 33 1HD2 LEU 33 4.717 -10.657 -5.115 263 HD23 LEU 33 2HD2 LEU 33 5.729 -10.140 -6.464 264 H GLU 34 H GLU 34 7.267 -11.963 -1.859 265 HA GLU 34 HA GLU 34 9.737 -11.066 -0.771 266 HB2 GLU 34 2HB GLU 34 8.116 -13.159 -0.200 267 HB3 GLU 34 3HB GLU 34 9.233 -14.021 -1.239 268 HG2 GLU 34 2HG GLU 34 9.994 -12.492 1.270 269 HG3 GLU 34 3HG GLU 34 9.749 -14.230 1.184 270 H THR 35 H THR 35 8.814 -12.636 -3.760 271 HA THR 35 HA THR 35 11.418 -13.510 -4.589 272 HB THR 35 HB THR 35 8.876 -13.191 -6.270 273 HG1 THR 35 HG1 THR 35 8.688 -14.525 -4.311 274 HG21 THR 35 3HG2 THR 35 11.287 -15.027 -6.655 275 HG22 THR 35 1HG2 THR 35 10.903 -13.614 -7.641 276 HG23 THR 35 2HG2 THR 35 9.830 -15.013 -7.652 277 H ARG 36 H ARG 36 9.720 -10.454 -4.817 278 HA ARG 36 HA ARG 36 11.657 -9.267 -6.642 279 HB2 ARG 36 2HB ARG 36 10.111 -8.831 -8.453 280 HB3 ARG 36 3HB ARG 36 10.076 -10.561 -8.128 281 HG2 ARG 36 2HG ARG 36 7.979 -10.109 -6.705 282 HG3 ARG 36 3HG ARG 36 7.987 -8.487 -7.395 283 HD2 ARG 36 2HD ARG 36 6.485 -9.649 -8.760 284 HD3 ARG 36 3HD ARG 36 7.978 -9.690 -9.702 285 HE ARG 36 HE ARG 36 6.627 -11.913 -8.374 286 HH11 ARG 36 1HH1 ARG 36 9.503 -10.902 -10.150 287 HH12 ARG 36 2HH1 ARG 36 9.971 -12.531 -10.539 288 HH21 ARG 36 1HH2 ARG 36 7.266 -14.011 -8.842 289 HH22 ARG 36 2HH2 ARG 36 8.690 -14.304 -9.794 290 H THR 37 H THR 37 10.419 -7.034 -7.459 291 HA THR 37 HA THR 37 8.642 -5.912 -5.396 292 HB THR 37 HB THR 37 9.858 -3.655 -5.720 293 HG1 THR 37 HG1 THR 37 11.495 -5.329 -7.209 294 HG21 THR 37 3HG2 THR 37 11.593 -4.085 -4.036 295 HG22 THR 37 1HG2 THR 37 11.472 -5.823 -4.325 296 HG23 THR 37 2HG2 THR 37 10.114 -4.950 -3.617 297 H MET 38 H MET 38 7.216 -4.225 -6.290 298 HA MET 38 HA MET 38 7.255 -3.765 -9.197 299 HB2 MET 38 2HB MET 38 4.915 -5.074 -7.737 300 HB3 MET 38 3HB MET 38 4.700 -4.221 -9.257 301 HG2 MET 38 2HG MET 38 6.184 -5.817 -10.386 302 HG3 MET 38 3HG MET 38 6.464 -6.649 -8.856 303 HE1 MET 38 3HE MET 38 2.324 -6.528 -10.920 304 HE2 MET 38 1HE MET 38 3.754 -5.762 -11.610 305 HE3 MET 38 2HE MET 38 3.043 -5.128 -10.125 306 H ASP 39 H ASP 39 6.859 -1.689 -9.590 307 HA ASP 39 HA ASP 39 5.765 0.046 -7.462 308 HB2 ASP 39 2HB ASP 39 6.856 1.911 -8.622 309 HB3 ASP 39 3HB ASP 39 8.024 0.627 -8.325 310 H PHE 40 H PHE 40 4.071 1.362 -7.802 311 HA PHE 40 HA PHE 40 2.535 1.306 -10.337 312 HB2 PHE 40 2HB PHE 40 1.314 1.278 -7.530 313 HB3 PHE 40 3HB PHE 40 0.448 1.184 -9.064 314 HD1 PHE 40 HD2 PHE 40 0.462 -0.909 -10.384 315 HD2 PHE 40 HD1 PHE 40 2.444 -0.691 -6.603 316 HE1 PHE 40 HE2 PHE 40 0.635 -3.364 -10.332 317 HE2 PHE 40 HE1 PHE 40 2.620 -3.138 -6.564 318 HZ PHE 40 HZ PHE 40 1.719 -4.479 -8.421 319 HA PRO 41 HA PRO 41 3.568 5.680 -9.088 320 HB2 PRO 41 2HB PRO 41 3.999 6.648 -11.614 321 HB3 PRO 41 3HB PRO 41 5.231 5.729 -10.723 322 HG2 PRO 41 2HG PRO 41 3.341 4.752 -12.845 323 HG3 PRO 41 3HG PRO 41 5.088 4.450 -12.673 324 HD2 PRO 41 2HD PRO 41 3.224 2.640 -11.875 325 HD3 PRO 41 3HD PRO 41 4.784 2.820 -11.042 326 H THR 42 H THR 42 1.276 4.345 -11.341 327 HA THR 42 HA THR 42 -0.584 6.626 -11.006 328 HB THR 42 HB THR 42 -1.429 6.097 -13.318 329 HG1 THR 42 HG1 THR 42 0.130 4.788 -14.612 330 HG21 THR 42 3HG2 THR 42 1.544 6.759 -13.246 331 HG22 THR 42 1HG2 THR 42 0.222 7.919 -13.080 332 HG23 THR 42 2HG2 THR 42 0.456 7.059 -14.602 333 HA PRO 43 HA PRO 43 -3.610 3.513 -9.629 334 HB2 PRO 43 2HB PRO 43 -5.675 5.131 -11.100 335 HB3 PRO 43 3HB PRO 43 -5.599 4.676 -9.383 336 HG2 PRO 43 2HG PRO 43 -5.099 7.182 -10.133 337 HG3 PRO 43 3HG PRO 43 -4.160 6.419 -8.826 338 HD2 PRO 43 2HD PRO 43 -3.378 6.845 -11.713 339 HD3 PRO 43 3HD PRO 43 -2.414 7.089 -10.234 340 H ALA 44 H ALA 44 -3.302 4.454 -12.986 341 HA ALA 44 HA ALA 44 -4.959 2.451 -14.168 342 HB1 ALA 44 3HB ALA 44 -4.378 4.526 -15.341 343 HB2 ALA 44 1HB ALA 44 -3.878 3.117 -16.280 344 HB3 ALA 44 2HB ALA 44 -2.680 4.051 -15.377 345 H ALA 45 H ALA 45 -1.511 2.627 -13.326 346 HA ALA 45 HA ALA 45 -0.652 0.199 -14.549 347 HB1 ALA 45 3HB ALA 45 0.552 1.724 -12.207 348 HB2 ALA 45 1HB ALA 45 0.898 2.008 -13.915 349 HB3 ALA 45 2HB ALA 45 1.371 0.483 -13.164 350 H ALA 46 H ALA 46 -2.518 0.794 -11.739 351 HA ALA 46 HA ALA 46 -1.518 -1.214 -9.993 352 HB1 ALA 46 3HB ALA 46 -2.574 0.847 -9.216 353 HB2 ALA 46 1HB ALA 46 -3.367 -0.582 -8.546 354 HB3 ALA 46 2HB ALA 46 -4.124 0.310 -9.872 355 H PHE 47 H PHE 47 -3.588 -1.552 -12.699 356 HA PHE 47 HA PHE 47 -5.562 -3.327 -11.852 357 HB2 PHE 47 2HB PHE 47 -5.930 -3.906 -14.157 358 HB3 PHE 47 3HB PHE 47 -5.442 -2.221 -14.119 359 HD1 PHE 47 HD1 PHE 47 -2.905 -1.716 -14.604 360 HD2 PHE 47 HD2 PHE 47 -4.824 -5.399 -15.627 361 HE1 PHE 47 HE1 PHE 47 -1.140 -2.186 -16.250 362 HE2 PHE 47 HE2 PHE 47 -3.052 -5.864 -17.267 363 HZ PHE 47 HZ PHE 47 -1.209 -4.257 -17.579 364 H ARG 48 H ARG 48 -2.214 -3.969 -12.530 365 HA ARG 48 HA ARG 48 -2.156 -6.739 -12.898 366 HB2 ARG 48 2HB ARG 48 -0.104 -4.881 -11.626 367 HB3 ARG 48 3HB ARG 48 0.237 -6.542 -12.114 368 HG2 ARG 48 2HG ARG 48 -0.180 -6.003 -14.445 369 HG3 ARG 48 3HG ARG 48 -0.694 -4.367 -14.016 370 HD2 ARG 48 2HD ARG 48 2.085 -5.486 -13.519 371 HD3 ARG 48 3HD ARG 48 1.636 -4.485 -14.903 372 HE ARG 48 HE ARG 48 0.876 -2.961 -12.810 373 HH11 ARG 48 1HH1 ARG 48 3.946 -4.512 -13.565 374 HH12 ARG 48 2HH1 ARG 48 4.887 -3.307 -12.750 375 HH21 ARG 48 1HH2 ARG 48 2.130 -1.385 -11.775 376 HH22 ARG 48 2HH2 ARG 48 3.858 -1.535 -11.735 377 H SER 49 H SER 49 -2.574 -4.899 -9.975 378 HA SER 49 HA SER 49 -2.481 -7.335 -8.307 379 HB2 SER 49 2HB SER 49 -1.379 -4.616 -7.503 380 HB3 SER 49 3HB SER 49 -1.267 -6.124 -6.594 381 HG SER 49 HG SER 49 -0.214 -6.716 -8.856 382 HA PRO 50 HA PRO 50 -6.666 -5.704 -7.455 383 HB2 PRO 50 2HB PRO 50 -7.198 -7.523 -5.363 384 HB3 PRO 50 3HB PRO 50 -7.485 -7.825 -7.088 385 HG2 PRO 50 2HG PRO 50 -5.168 -8.665 -5.398 386 HG3 PRO 50 3HG PRO 50 -6.017 -9.561 -6.676 387 HD2 PRO 50 2HD PRO 50 -3.628 -8.420 -7.128 388 HD3 PRO 50 3HD PRO 50 -4.881 -8.452 -8.392 389 H LEU 51 H LEU 51 -4.192 -6.292 -4.931 390 HA LEU 51 HA LEU 51 -5.518 -4.754 -2.906 391 HB2 LEU 51 2HB LEU 51 -3.897 -6.553 -2.344 392 HB3 LEU 51 3HB LEU 51 -2.599 -5.621 -3.073 393 HG LEU 51 HG LEU 51 -2.851 -3.868 -1.331 394 HD11 LEU 51 1HD1 LEU 51 -5.006 -5.624 -0.119 395 HD12 LEU 51 2HD1 LEU 51 -5.248 -4.052 -0.882 396 HD13 LEU 51 3HD1 LEU 51 -4.316 -4.170 0.607 397 HD21 LEU 51 3HD2 LEU 51 -1.283 -5.703 -0.905 398 HD22 LEU 51 1HD2 LEU 51 -2.564 -6.643 -0.131 399 HD23 LEU 51 2HD2 LEU 51 -2.008 -5.131 0.597 400 H ALA 52 H ALA 52 -2.951 -4.101 -5.298 401 HA ALA 52 HA ALA 52 -2.255 -1.486 -4.509 402 HB1 ALA 52 3HB ALA 52 -1.393 -1.203 -6.800 403 HB2 ALA 52 1HB ALA 52 -2.258 -2.662 -7.312 404 HB3 ALA 52 2HB ALA 52 -0.943 -2.777 -6.144 405 H ARG 53 H ARG 53 -4.756 -2.684 -6.765 406 HA ARG 53 HA ARG 53 -5.910 -0.270 -7.585 407 HB2 ARG 53 2HB ARG 53 -7.299 -2.932 -7.058 408 HB3 ARG 53 3HB ARG 53 -8.021 -1.586 -7.930 409 HG2 ARG 53 2HG ARG 53 -6.220 -1.814 -9.661 410 HG3 ARG 53 3HG ARG 53 -5.637 -3.248 -8.805 411 HD2 ARG 53 2HD ARG 53 -7.099 -3.867 -10.693 412 HD3 ARG 53 3HD ARG 53 -7.813 -4.357 -9.151 413 HE ARG 53 HE ARG 53 -8.687 -1.772 -10.057 414 HH11 ARG 53 1HH1 ARG 53 -9.378 -5.217 -10.357 415 HH12 ARG 53 2HH1 ARG 53 -11.027 -4.959 -10.828 416 HH21 ARG 53 1HH2 ARG 53 -10.828 -1.456 -10.646 417 HH22 ARG 53 2HH2 ARG 53 -11.850 -2.814 -10.993 418 H GLN 54 H GLN 54 -6.578 -2.271 -4.720 419 HA GLN 54 HA GLN 54 -8.884 -0.881 -3.799 420 HB2 GLN 54 2HB GLN 54 -6.955 -2.766 -2.383 421 HB3 GLN 54 3HB GLN 54 -8.425 -2.149 -1.635 422 HG2 GLN 54 2HG GLN 54 -9.788 -3.257 -3.337 423 HG3 GLN 54 3HG GLN 54 -8.338 -3.841 -4.149 424 HE21 GLN 54 1HE2 GLN 54 -10.512 -5.416 -3.086 425 HE22 GLN 54 2HE2 GLN 54 -9.837 -6.463 -1.887 426 H LEU 55 H LEU 55 -5.434 -0.552 -3.179 427 HA LEU 55 HA LEU 55 -5.631 1.369 -1.073 428 HB2 LEU 55 2HB LEU 55 -3.317 0.722 -2.939 429 HB3 LEU 55 3HB LEU 55 -3.195 1.775 -1.536 430 HG LEU 55 HG LEU 55 -3.881 -1.194 -1.436 431 HD11 LEU 55 1HD1 LEU 55 -1.655 -1.518 -0.471 432 HD12 LEU 55 2HD1 LEU 55 -1.297 0.199 -0.679 433 HD13 LEU 55 3HD1 LEU 55 -1.551 -0.828 -2.090 434 HD21 LEU 55 3HD2 LEU 55 -4.949 0.010 0.403 435 HD22 LEU 55 1HD2 LEU 55 -3.410 0.755 0.845 436 HD23 LEU 55 2HD2 LEU 55 -3.632 -0.990 1.005 437 H PHE 56 H PHE 56 -5.313 1.623 -4.617 438 HA PHE 56 HA PHE 56 -5.239 4.508 -4.659 439 HB2 PHE 56 2HB PHE 56 -5.658 2.398 -6.796 440 HB3 PHE 56 3HB PHE 56 -5.872 4.104 -7.170 441 HD1 PHE 56 HD1 PHE 56 -3.879 5.685 -6.494 442 HD2 PHE 56 HD2 PHE 56 -3.504 1.474 -7.072 443 HE1 PHE 56 HE1 PHE 56 -1.485 5.949 -6.951 444 HE2 PHE 56 HE2 PHE 56 -1.108 1.748 -7.521 445 HZ PHE 56 HZ PHE 56 -0.095 3.986 -7.463 446 H ARG 57 H ARG 57 -7.807 2.305 -4.136 447 HA ARG 57 HA ARG 57 -9.922 4.144 -4.918 448 HB2 ARG 57 2HB ARG 57 -10.064 1.660 -3.146 449 HB3 ARG 57 3HB ARG 57 -11.442 2.568 -3.766 450 HG2 ARG 57 2HG ARG 57 -10.722 2.001 -6.097 451 HG3 ARG 57 3HG ARG 57 -9.433 1.009 -5.416 452 HD2 ARG 57 2HD ARG 57 -11.218 -0.471 -5.988 453 HD3 ARG 57 3HD ARG 57 -11.215 -0.337 -4.228 454 HE ARG 57 HE ARG 57 -13.027 1.347 -5.818 455 HH11 ARG 57 1HH1 ARG 57 -12.696 -1.289 -3.502 456 HH12 ARG 57 2HH1 ARG 57 -14.389 -1.300 -3.115 457 HH21 ARG 57 1HH2 ARG 57 -15.230 1.285 -5.319 458 HH22 ARG 57 2HH2 ARG 57 -15.815 0.153 -4.139 459 H ILE 58 H ILE 58 -7.742 3.975 -2.340 460 HA ILE 58 HA ILE 58 -9.401 5.256 -0.303 461 HB ILE 58 HB ILE 58 -6.398 4.643 -0.360 462 HG12 ILE 58 2HG1 ILE 58 -8.594 3.195 1.195 463 HG13 ILE 58 3HG1 ILE 58 -7.931 2.624 -0.330 464 HG21 ILE 58 1HG2 ILE 58 -8.084 5.623 1.974 465 HG22 ILE 58 2HG2 ILE 58 -6.856 6.557 1.117 466 HG23 ILE 58 3HG2 ILE 58 -6.388 5.143 2.065 467 HD11 ILE 58 3HD1 ILE 58 -6.971 1.429 1.518 468 HD12 ILE 58 1HD1 ILE 58 -6.416 2.931 2.258 469 HD13 ILE 58 2HD1 ILE 58 -5.731 2.395 0.721 470 H GLU 59 H GLU 59 -9.785 7.378 -0.492 471 HA GLU 59 HA GLU 59 -8.591 9.061 -2.454 472 HB2 GLU 59 2HB GLU 59 -10.436 9.721 -0.121 473 HB3 GLU 59 3HB GLU 59 -9.993 10.871 -1.382 474 HG2 GLU 59 2HG GLU 59 -11.108 9.514 -3.073 475 HG3 GLU 59 3HG GLU 59 -11.443 8.254 -1.888 476 H GLY 60 H GLY 60 -6.464 9.361 -2.150 477 HA2 GLY 60 2HA GLY 60 -5.267 11.334 -0.870 478 HA3 GLY 60 3HA GLY 60 -5.343 10.152 0.437 479 H VAL 61 H VAL 61 -5.068 7.952 -1.656 480 HA VAL 61 HA VAL 61 -2.209 7.719 -1.426 481 HB VAL 61 HB VAL 61 -4.292 5.911 -2.750 482 HG11 VAL 61 1HG1 VAL 61 -2.130 5.525 -3.847 483 HG12 VAL 61 2HG1 VAL 61 -2.543 4.158 -2.815 484 HG13 VAL 61 3HG1 VAL 61 -1.339 5.333 -2.278 485 HG21 VAL 61 3HG2 VAL 61 -3.957 4.483 -0.768 486 HG22 VAL 61 1HG2 VAL 61 -4.503 6.095 -0.300 487 HG23 VAL 61 2HG2 VAL 61 -2.805 5.645 -0.104 488 H LYS 62 H LYS 62 -0.922 8.789 -2.741 489 HA LYS 62 HA LYS 62 -1.582 9.647 -5.409 490 HB2 LYS 62 2HB LYS 62 -0.080 10.926 -3.833 491 HB3 LYS 62 3HB LYS 62 1.135 9.667 -4.013 492 HG2 LYS 62 2HG LYS 62 1.687 11.569 -5.422 493 HG3 LYS 62 3HG LYS 62 1.282 10.183 -6.444 494 HD2 LYS 62 2HD LYS 62 -1.026 11.120 -6.714 495 HD3 LYS 62 3HD LYS 62 -0.540 12.528 -5.772 496 HE2 LYS 62 2HE LYS 62 1.015 13.217 -7.482 497 HE3 LYS 62 3HE LYS 62 0.789 11.705 -8.370 498 HZ1 LYS 62 3HZ LYS 62 -1.525 12.319 -8.754 499 HZ2 LYS 62 1HZ LYS 62 -0.478 13.503 -9.363 500 HZ3 LYS 62 2HZ LYS 62 -1.298 13.767 -7.913 501 H SER 63 H SER 63 0.558 7.203 -3.958 502 HA SER 63 HA SER 63 0.636 5.630 -6.401 503 HB2 SER 63 2HB SER 63 3.207 6.778 -5.220 504 HB3 SER 63 3HB SER 63 3.125 5.571 -6.506 505 HG SER 63 HG SER 63 1.665 7.384 -7.474 506 H VAL 64 H VAL 64 1.631 3.519 -6.067 507 HA VAL 64 HA VAL 64 1.923 2.641 -3.248 508 HB VAL 64 HB VAL 64 0.385 1.164 -5.464 509 HG11 VAL 64 1HG1 VAL 64 1.700 -0.463 -4.170 510 HG12 VAL 64 2HG1 VAL 64 -0.020 -0.639 -3.823 511 HG13 VAL 64 3HG1 VAL 64 1.036 0.169 -2.661 512 HG21 VAL 64 3HG2 VAL 64 -0.947 2.916 -4.380 513 HG22 VAL 64 1HG2 VAL 64 -0.580 2.245 -2.789 514 HG23 VAL 64 2HG2 VAL 64 -1.553 1.320 -3.937 515 H PHE 65 H PHE 65 3.638 1.312 -2.910 516 HA PHE 65 HA PHE 65 4.997 0.021 -5.210 517 HB2 PHE 65 2HB PHE 65 6.376 1.944 -4.550 518 HB3 PHE 65 3HB PHE 65 6.303 1.481 -2.852 519 HD1 PHE 65 HD2 PHE 65 7.483 0.231 -6.189 520 HD2 PHE 65 HD1 PHE 65 8.052 0.131 -1.949 521 HE1 PHE 65 HE2 PHE 65 9.527 -1.097 -6.490 522 HE2 PHE 65 HE1 PHE 65 10.094 -1.207 -2.262 523 HZ PHE 65 HZ PHE 65 10.832 -1.819 -4.530 524 H PHE 66 H PHE 66 5.180 -2.132 -4.900 525 HA PHE 66 HA PHE 66 4.814 -3.283 -2.217 526 HB2 PHE 66 2HB PHE 66 4.744 -4.549 -4.985 527 HB3 PHE 66 3HB PHE 66 4.682 -5.485 -3.494 528 HD1 PHE 66 HD2 PHE 66 2.860 -3.162 -2.132 529 HD2 PHE 66 HD1 PHE 66 2.583 -5.572 -5.657 530 HE1 PHE 66 HE2 PHE 66 0.414 -2.963 -2.084 531 HE2 PHE 66 HE1 PHE 66 0.140 -5.360 -5.582 532 HZ PHE 66 HZ PHE 66 -0.957 -4.058 -3.810 533 H GLY 67 H GLY 67 6.382 -4.139 -1.161 534 HA2 GLY 67 2HA GLY 67 9.125 -4.318 -2.246 535 HA3 GLY 67 3HA GLY 67 8.704 -3.889 -0.594 536 HA PRO 68 HA PRO 68 9.785 -8.570 -0.990 537 HB2 PRO 68 2HB PRO 68 11.450 -8.472 1.274 538 HB3 PRO 68 3HB PRO 68 12.000 -8.370 -0.407 539 HG2 PRO 68 2HG PRO 68 11.460 -6.134 1.526 540 HG3 PRO 68 3HG PRO 68 12.819 -6.340 0.393 541 HD2 PRO 68 2HD PRO 68 10.823 -4.685 -0.213 542 HD3 PRO 68 3HD PRO 68 11.518 -5.729 -1.479 543 H ASP 69 H ASP 69 9.242 -6.590 1.983 544 HA ASP 69 HA ASP 69 7.180 -8.504 2.877 545 HB2 ASP 69 2HB ASP 69 9.385 -9.168 3.907 546 HB3 ASP 69 3HB ASP 69 9.491 -7.582 4.648 547 H SER 70 H SER 70 7.284 -5.642 1.818 548 HA SER 70 HA SER 70 5.389 -4.554 3.738 549 HB2 SER 70 2HB SER 70 6.530 -2.401 4.072 550 HB3 SER 70 3HB SER 70 7.567 -3.716 4.629 551 HG SER 70 HG SER 70 8.490 -3.576 2.401 552 H ILE 71 H ILE 71 4.491 -2.462 2.983 553 HA ILE 71 HA ILE 71 4.498 -2.080 0.040 554 HB ILE 71 HB ILE 71 2.121 -1.718 1.958 555 HG12 ILE 71 2HG1 ILE 71 2.507 -3.850 -0.196 556 HG13 ILE 71 3HG1 ILE 71 2.692 -4.124 1.531 557 HG21 ILE 71 1HG2 ILE 71 2.049 -0.087 0.111 558 HG22 ILE 71 2HG2 ILE 71 0.768 -1.285 -0.071 559 HG23 ILE 71 3HG2 ILE 71 2.215 -1.389 -1.073 560 HD11 ILE 71 3HD1 ILE 71 0.144 -3.353 0.124 561 HD12 ILE 71 1HD1 ILE 71 0.334 -3.588 1.865 562 HD13 ILE 71 2HD1 ILE 71 0.575 -4.938 0.762 563 H THR 72 H THR 72 5.426 -0.069 -0.379 564 HA THR 72 HA THR 72 5.389 2.007 1.689 565 HB THR 72 HB THR 72 6.864 1.989 -0.990 566 HG1 THR 72 HG1 THR 72 7.386 0.281 0.660 567 HG21 THR 72 3HG2 THR 72 8.281 3.722 0.040 568 HG22 THR 72 1HG2 THR 72 7.338 3.644 1.532 569 HG23 THR 72 2HG2 THR 72 6.597 4.245 0.046 570 H VAL 73 H VAL 73 3.686 3.395 1.552 571 HA VAL 73 HA VAL 73 2.262 3.750 -1.022 572 HB VAL 73 HB VAL 73 1.286 4.263 1.845 573 HG11 VAL 73 1HG1 VAL 73 -0.268 4.451 -0.762 574 HG12 VAL 73 2HG1 VAL 73 0.244 5.811 0.237 575 HG13 VAL 73 3HG1 VAL 73 -0.933 4.656 0.863 576 HG21 VAL 73 3HG2 VAL 73 1.483 1.851 1.363 577 HG22 VAL 73 1HG2 VAL 73 0.481 2.045 -0.079 578 HG23 VAL 73 2HG2 VAL 73 -0.208 2.328 1.524 579 H THR 74 H THR 74 2.176 5.801 -1.861 580 HA THR 74 HA THR 74 3.352 8.058 -0.363 581 HB THR 74 HB THR 74 2.860 7.733 -3.368 582 HG1 THR 74 HG1 THR 74 5.447 8.065 -2.781 583 HG21 THR 74 3HG2 THR 74 4.180 9.801 -3.633 584 HG22 THR 74 1HG2 THR 74 4.285 9.977 -1.879 585 HG23 THR 74 2HG2 THR 74 2.720 10.102 -2.690 586 H LYS 75 H LYS 75 2.092 9.892 -0.045 587 HA LYS 75 HA LYS 75 -0.781 9.759 -0.776 588 HB2 LYS 75 2HB LYS 75 -1.195 11.291 1.109 589 HB3 LYS 75 3HB LYS 75 -0.377 9.830 1.648 590 HG2 LYS 75 2HG LYS 75 1.786 11.110 1.651 591 HG3 LYS 75 3HG LYS 75 0.869 12.572 1.272 592 HD2 LYS 75 2HD LYS 75 -0.399 12.337 3.394 593 HD3 LYS 75 3HD LYS 75 0.480 10.846 3.756 594 HE2 LYS 75 2HE LYS 75 1.437 12.690 5.027 595 HE3 LYS 75 3HE LYS 75 2.610 12.160 3.816 596 HZ1 LYS 75 3HZ LYS 75 1.923 14.009 2.413 597 HZ2 LYS 75 1HZ LYS 75 2.459 14.551 3.916 598 HZ3 LYS 75 2HZ LYS 75 0.807 14.513 3.579 599 H GLU 76 H GLU 76 -1.833 11.827 -1.318 600 HA GLU 76 HA GLU 76 -0.779 12.887 -3.644 601 HB2 GLU 76 2HB GLU 76 -2.916 14.109 -1.843 602 HB3 GLU 76 3HB GLU 76 -2.605 14.630 -3.493 603 HG2 GLU 76 2HG GLU 76 -3.498 11.840 -2.733 604 HG3 GLU 76 3HG GLU 76 -4.596 13.135 -3.204 605 H ASN 77 H ASN 77 -1.116 14.575 -0.529 606 HA ASN 77 HA ASN 77 1.020 16.455 -1.206 607 HB2 ASN 77 2HB ASN 77 -0.433 18.418 -0.774 608 HB3 ASN 77 3HB ASN 77 -0.994 17.499 -2.162 609 HD21 ASN 77 1HD2 ASN 77 -2.565 19.348 -0.752 610 HD22 ASN 77 2HD2 ASN 77 -3.878 18.498 -0.019 611 H GLU 78 H GLU 78 1.290 18.045 0.636 612 HA GLU 78 HA GLU 78 1.884 16.512 3.001 613 HB2 GLU 78 2HB GLU 78 2.274 19.500 2.524 614 HB3 GLU 78 3HB GLU 78 3.110 18.494 3.708 615 HG2 GLU 78 2HG GLU 78 4.205 17.237 1.878 616 HG3 GLU 78 3HG GLU 78 3.374 18.238 0.687 617 H GLU 79 H GLU 79 -0.744 18.426 1.983 618 HA GLU 79 HA GLU 79 -1.686 19.310 4.553 619 HB2 GLU 79 2HB GLU 79 -3.125 19.118 1.870 620 HB3 GLU 79 3HB GLU 79 -3.824 19.821 3.325 621 HG2 GLU 79 2HG GLU 79 -3.087 21.625 1.951 622 HG3 GLU 79 3HG GLU 79 -1.982 21.530 3.318 623 H LEU 80 H LEU 80 -2.017 16.381 2.626 624 HA LEU 80 HA LEU 80 -3.986 15.162 4.364 625 HB2 LEU 80 2HB LEU 80 -2.084 14.053 2.267 626 HB3 LEU 80 3HB LEU 80 -3.149 13.021 3.212 627 HG LEU 80 HG LEU 80 -4.130 15.233 1.366 628 HD11 LEU 80 1HD1 LEU 80 -2.997 13.500 0.090 629 HD12 LEU 80 2HD1 LEU 80 -4.734 13.426 -0.180 630 HD13 LEU 80 3HD1 LEU 80 -3.956 12.249 0.886 631 HD21 LEU 80 3HD2 LEU 80 -5.716 14.692 3.165 632 HD22 LEU 80 1HD2 LEU 80 -5.651 12.983 2.724 633 HD23 LEU 80 2HD2 LEU 80 -6.321 14.168 1.597 634 H ASP 81 H ASP 81 -3.515 14.478 6.323 635 HA ASP 81 HA ASP 81 -0.788 13.744 7.112 636 HB2 ASP 81 2HB ASP 81 -2.383 15.058 8.632 637 HB3 ASP 81 3HB ASP 81 -3.321 13.578 8.817 638 H TRP 82 H TRP 82 -0.236 11.621 7.864 639 HA TRP 82 HA TRP 82 -1.276 9.532 6.269 640 HB2 TRP 82 2HB TRP 82 0.788 9.628 8.471 641 HB3 TRP 82 3HB TRP 82 0.200 8.054 7.939 642 HD1 TRP 82 HD1 TRP 82 2.957 10.313 7.189 643 HE1 TRP 82 HE1 TRP 82 3.933 9.859 4.852 644 HE3 TRP 82 HE3 TRP 82 -0.830 7.444 5.251 645 HZ2 TRP 82 HZ2 TRP 82 3.196 8.474 2.507 646 HZ3 TRP 82 HZ3 TRP 82 -0.617 6.602 2.948 647 HH2 TRP 82 HH2 TRP 82 1.359 7.111 1.608 648 H ASN 83 H ASN 83 -2.154 10.579 9.514 649 HA ASN 83 HA ASN 83 -3.376 8.204 10.456 650 HB2 ASN 83 2HB ASN 83 -3.673 11.129 11.210 651 HB3 ASN 83 3HB ASN 83 -4.819 9.965 11.869 652 HD21 ASN 83 1HD2 ASN 83 -2.906 11.545 13.316 653 HD22 ASN 83 2HD2 ASN 83 -1.885 10.432 14.158 654 H LEU 84 H LEU 84 -4.422 10.426 8.043 655 HA LEU 84 HA LEU 84 -7.241 9.870 8.172 656 HB2 LEU 84 2HB LEU 84 -5.556 11.009 5.900 657 HB3 LEU 84 3HB LEU 84 -7.313 11.020 5.964 658 HG LEU 84 HG LEU 84 -5.492 12.498 7.904 659 HD11 LEU 84 1HD1 LEU 84 -6.238 14.548 6.790 660 HD12 LEU 84 2HD1 LEU 84 -7.153 13.596 5.619 661 HD13 LEU 84 3HD1 LEU 84 -5.393 13.480 5.670 662 HD21 LEU 84 3HD2 LEU 84 -8.519 12.559 7.652 663 HD22 LEU 84 1HD2 LEU 84 -7.551 13.601 8.701 664 HD23 LEU 84 2HD2 LEU 84 -7.591 11.863 8.982 665 H LEU 85 H LEU 85 -4.490 8.707 6.279 666 HA LEU 85 HA LEU 85 -6.080 6.922 4.628 667 HB2 LEU 85 2HB LEU 85 -3.050 7.274 4.829 668 HB3 LEU 85 3HB LEU 85 -3.874 6.257 3.662 669 HG LEU 85 HG LEU 85 -5.063 8.489 2.909 670 HD11 LEU 85 1HD1 LEU 85 -4.310 9.918 4.709 671 HD12 LEU 85 2HD1 LEU 85 -3.728 10.521 3.160 672 HD13 LEU 85 3HD1 LEU 85 -2.624 9.671 4.247 673 HD21 LEU 85 3HD2 LEU 85 -3.267 8.948 1.287 674 HD22 LEU 85 1HD2 LEU 85 -3.584 7.224 1.467 675 HD23 LEU 85 2HD2 LEU 85 -2.162 7.943 2.229 676 H LYS 86 H LYS 86 -4.068 6.670 7.522 677 HA LYS 86 HA LYS 86 -3.262 4.066 7.495 678 HB2 LYS 86 2HB LYS 86 -3.892 5.911 9.802 679 HB3 LYS 86 3HB LYS 86 -3.402 4.248 10.122 680 HG2 LYS 86 2HG LYS 86 -1.294 4.585 8.961 681 HG3 LYS 86 3HG LYS 86 -1.780 6.215 8.478 682 HD2 LYS 86 2HD LYS 86 -1.870 6.880 10.875 683 HD3 LYS 86 3HD LYS 86 -1.335 5.259 11.334 684 HE2 LYS 86 2HE LYS 86 0.796 5.597 10.199 685 HE3 LYS 86 3HE LYS 86 0.252 7.158 9.580 686 HZ1 LYS 86 3HZ LYS 86 0.172 8.013 11.817 687 HZ2 LYS 86 1HZ LYS 86 1.707 7.372 11.516 688 HZ3 LYS 86 2HZ LYS 86 0.602 6.513 12.462 689 HA PRO 87 HA PRO 87 -7.257 2.406 9.882 690 HB2 PRO 87 2HB PRO 87 -9.636 3.773 9.306 691 HB3 PRO 87 3HB PRO 87 -8.672 4.021 10.775 692 HG2 PRO 87 2HG PRO 87 -8.695 5.639 8.248 693 HG3 PRO 87 3HG PRO 87 -8.675 6.191 9.940 694 HD2 PRO 87 2HD PRO 87 -6.428 6.185 8.479 695 HD3 PRO 87 3HD PRO 87 -6.391 5.733 10.202 696 H ASP 88 H ASP 88 -7.619 4.075 6.797 697 HA ASP 88 HA ASP 88 -9.286 2.213 5.468 698 HB2 ASP 88 2HB ASP 88 -7.374 4.357 4.447 699 HB3 ASP 88 3HB ASP 88 -8.444 3.451 3.393 700 H ILE 89 H ILE 89 -5.765 2.730 5.481 701 HA ILE 89 HA ILE 89 -5.120 0.748 3.538 702 HB ILE 89 HB ILE 89 -3.380 2.270 5.542 703 HG12 ILE 89 2HG1 ILE 89 -3.721 2.552 2.512 704 HG13 ILE 89 3HG1 ILE 89 -4.410 3.628 3.719 705 HG21 ILE 89 1HG2 ILE 89 -1.385 1.474 4.315 706 HG22 ILE 89 2HG2 ILE 89 -2.405 0.424 3.328 707 HG23 ILE 89 3HG2 ILE 89 -2.259 0.130 5.060 708 HD11 ILE 89 3HD1 ILE 89 -2.495 4.634 2.677 709 HD12 ILE 89 1HD1 ILE 89 -1.478 3.263 3.122 710 HD13 ILE 89 2HD1 ILE 89 -2.146 4.313 4.374 711 H TYR 90 H TYR 90 -5.073 0.775 7.114 712 HA TYR 90 HA TYR 90 -3.959 -1.791 7.499 713 HB2 TYR 90 2HB TYR 90 -5.884 -0.305 9.337 714 HB3 TYR 90 3HB TYR 90 -4.946 -1.725 9.787 715 HD1 TYR 90 HD2 TYR 90 -2.348 -0.672 8.210 716 HD2 TYR 90 HD1 TYR 90 -4.947 1.010 11.163 717 HE1 TYR 90 HE2 TYR 90 -0.527 0.791 8.992 718 HE2 TYR 90 HE1 TYR 90 -3.130 2.462 11.935 719 HH TYR 90 HH TYR 90 -0.702 2.568 11.911 720 H ALA 91 H ALA 91 -7.361 -0.686 7.434 721 HA ALA 91 HA ALA 91 -8.620 -3.156 7.859 722 HB1 ALA 91 3HB ALA 91 -9.656 -0.786 6.269 723 HB2 ALA 91 1HB ALA 91 -9.787 -0.993 8.012 724 HB3 ALA 91 2HB ALA 91 -10.638 -2.100 6.931 725 H THR 92 H THR 92 -7.783 -1.518 4.808 726 HA THR 92 HA THR 92 -8.862 -3.343 2.984 727 HB THR 92 HB THR 92 -6.595 -1.329 2.688 728 HG1 THR 92 HG1 THR 92 -8.701 -0.499 3.066 729 HG21 THR 92 3HG2 THR 92 -8.003 -2.853 0.461 730 HG22 THR 92 1HG2 THR 92 -6.305 -3.020 0.914 731 HG23 THR 92 2HG2 THR 92 -6.891 -1.501 0.239 732 H ILE 93 H ILE 93 -5.486 -3.134 4.192 733 HA ILE 93 HA ILE 93 -4.479 -5.313 2.652 734 HB ILE 93 HB ILE 93 -3.337 -3.991 5.159 735 HG12 ILE 93 2HG1 ILE 93 -2.585 -3.660 2.211 736 HG13 ILE 93 3HG1 ILE 93 -3.488 -2.493 3.169 737 HG21 ILE 93 1HG2 ILE 93 -1.175 -5.070 4.610 738 HG22 ILE 93 2HG2 ILE 93 -1.952 -5.959 3.299 739 HG23 ILE 93 3HG2 ILE 93 -2.423 -6.269 4.969 740 HD11 ILE 93 3HD1 ILE 93 -0.614 -3.309 3.590 741 HD12 ILE 93 1HD1 ILE 93 -1.516 -2.186 4.615 742 HD13 ILE 93 2HD1 ILE 93 -1.206 -1.787 2.927 743 H MET 94 H MET 94 -5.523 -5.098 6.091 744 HA MET 94 HA MET 94 -4.940 -7.754 6.833 745 HB2 MET 94 2HB MET 94 -7.020 -5.846 7.983 746 HB3 MET 94 3HB MET 94 -6.625 -7.399 8.702 747 HG2 MET 94 2HG MET 94 -4.277 -6.603 9.004 748 HG3 MET 94 3HG MET 94 -4.781 -5.024 8.408 749 HE1 MET 94 3HE MET 94 -7.365 -3.943 11.234 750 HE2 MET 94 1HE MET 94 -7.792 -4.830 9.773 751 HE3 MET 94 2HE MET 94 -6.647 -3.489 9.690 752 H ASP 95 H ASP 95 -7.984 -6.302 5.691 753 HA ASP 95 HA ASP 95 -9.679 -8.512 5.676 754 HB2 ASP 95 2HB ASP 95 -10.523 -6.247 5.321 755 HB3 ASP 95 3HB ASP 95 -9.587 -6.063 3.844 756 H PHE 96 H PHE 96 -7.514 -7.308 3.156 757 HA PHE 96 HA PHE 96 -8.179 -8.992 1.032 758 HB2 PHE 96 2HB PHE 96 -6.812 -6.901 0.885 759 HB3 PHE 96 3HB PHE 96 -5.474 -7.720 1.678 760 HD1 PHE 96 HD2 PHE 96 -7.459 -7.478 -1.428 761 HD2 PHE 96 HD1 PHE 96 -4.046 -9.262 0.431 762 HE1 PHE 96 HE2 PHE 96 -6.640 -8.209 -3.621 763 HE2 PHE 96 HE1 PHE 96 -3.237 -9.991 -1.770 764 HZ PHE 96 HZ PHE 96 -4.532 -9.467 -3.796 765 H PHE 97 H PHE 97 -5.622 -9.364 3.489 766 HA PHE 97 HA PHE 97 -4.723 -11.939 2.543 767 HB2 PHE 97 2HB PHE 97 -4.072 -10.303 5.015 768 HB3 PHE 97 3HB PHE 97 -3.453 -11.938 4.822 769 HD1 PHE 97 HD2 PHE 97 -1.921 -12.478 2.882 770 HD2 PHE 97 HD1 PHE 97 -3.033 -8.454 3.808 771 HE1 PHE 97 HE2 PHE 97 -0.022 -11.642 1.557 772 HE2 PHE 97 HE1 PHE 97 -1.137 -7.628 2.473 773 HZ PHE 97 HZ PHE 97 0.368 -9.220 1.355 774 H ALA 98 H ALA 98 -7.071 -10.876 4.935 775 HA ALA 98 HA ALA 98 -7.470 -13.406 6.217 776 HB1 ALA 98 3HB ALA 98 -8.119 -11.296 7.298 777 HB2 ALA 98 1HB ALA 98 -9.505 -12.378 7.161 778 HB3 ALA 98 2HB ALA 98 -9.338 -11.009 6.056 779 H SER 99 H SER 99 -8.775 -11.856 3.357 780 HA SER 99 HA SER 99 -10.776 -13.861 2.773 781 HB2 SER 99 2HB SER 99 -9.560 -11.687 0.995 782 HB3 SER 99 3HB SER 99 -11.001 -12.637 0.628 783 HG SER 99 HG SER 99 -10.699 -10.454 2.275 784 H GLY 100 H GLY 100 -7.375 -13.401 2.226 785 HA2 GLY 100 2HA GLY 100 -5.757 -14.843 1.494 786 HA3 GLY 100 3HA GLY 100 -6.995 -16.063 1.240 787 H LEU 101 H LEU 101 -6.884 -12.844 -0.185 788 HA LEU 101 HA LEU 101 -7.320 -13.900 -2.837 789 HB2 LEU 101 2HB LEU 101 -6.899 -11.022 -1.922 790 HB3 LEU 101 3HB LEU 101 -7.439 -11.514 -3.522 791 HG LEU 101 HG LEU 101 -8.973 -11.895 -0.927 792 HD11 LEU 101 1HD1 LEU 101 -10.570 -10.280 -1.879 793 HD12 LEU 101 2HD1 LEU 101 -9.500 -10.033 -3.263 794 HD13 LEU 101 3HD1 LEU 101 -8.972 -9.573 -1.643 795 HD21 LEU 101 3HD2 LEU 101 -10.831 -12.715 -2.329 796 HD22 LEU 101 1HD2 LEU 101 -9.420 -13.769 -2.419 797 HD23 LEU 101 2HD2 LEU 101 -9.783 -12.666 -3.748 798 HA PRO 102 HA PRO 102 -3.012 -13.992 -4.240 799 HB2 PRO 102 2HB PRO 102 -3.422 -13.471 -6.956 800 HB3 PRO 102 3HB PRO 102 -3.693 -15.053 -6.196 801 HG2 PRO 102 2HG PRO 102 -5.683 -12.916 -6.848 802 HG3 PRO 102 3HG PRO 102 -5.807 -14.674 -7.087 803 HD2 PRO 102 2HD PRO 102 -7.028 -13.463 -5.019 804 HD3 PRO 102 3HD PRO 102 -6.297 -15.076 -4.834 805 H LEU 103 H LEU 103 -1.625 -12.410 -3.802 806 HA LEU 103 HA LEU 103 -2.205 -9.753 -3.397 807 HB2 LEU 103 2HB LEU 103 -0.250 -11.282 -2.590 808 HB3 LEU 103 3HB LEU 103 0.592 -10.753 -4.029 809 HG LEU 103 HG LEU 103 1.246 -9.544 -1.931 810 HD11 LEU 103 1HD1 LEU 103 1.270 -7.275 -2.826 811 HD12 LEU 103 2HD1 LEU 103 0.053 -7.718 -4.026 812 HD13 LEU 103 3HD1 LEU 103 1.653 -8.458 -4.078 813 HD21 LEU 103 3HD2 LEU 103 -1.545 -8.361 -2.029 814 HD22 LEU 103 1HD2 LEU 103 -0.251 -7.897 -0.920 815 HD23 LEU 103 2HD2 LEU 103 -0.949 -9.513 -0.830 816 H VAL 104 H VAL 104 -0.305 -11.068 -6.106 817 HA VAL 104 HA VAL 104 -1.117 -8.784 -7.821 818 HB VAL 104 HB VAL 104 1.509 -10.350 -8.031 819 HG11 VAL 104 1HG1 VAL 104 2.126 -8.681 -9.737 820 HG12 VAL 104 2HG1 VAL 104 0.538 -7.926 -9.591 821 HG13 VAL 104 3HG1 VAL 104 0.679 -9.576 -10.206 822 HG21 VAL 104 3HG2 VAL 104 1.562 -8.874 -6.057 823 HG22 VAL 104 1HG2 VAL 104 1.113 -7.491 -7.059 824 HG23 VAL 104 2HG2 VAL 104 2.664 -8.298 -7.306 825 H THR 105 H THR 105 -2.702 -9.608 -9.062 826 HA THR 105 HA THR 105 -3.074 -12.394 -9.527 827 HB THR 105 HB THR 105 -4.925 -11.487 -11.143 828 HG1 THR 105 HG1 THR 105 -4.688 -9.427 -11.532 829 HG21 THR 105 3HG2 THR 105 -4.997 -10.711 -8.207 830 HG22 THR 105 1HG2 THR 105 -5.425 -12.289 -8.869 831 HG23 THR 105 2HG2 THR 105 -6.399 -10.873 -9.266 832 H GLU 106 H GLU 106 -2.236 -9.712 -11.782 833 HA GLU 106 HA GLU 106 -0.887 -11.654 -13.564 834 HB2 GLU 106 2HB GLU 106 -2.897 -9.565 -14.529 835 HB3 GLU 106 3HB GLU 106 -1.853 -10.518 -15.580 836 HG2 GLU 106 2HG GLU 106 -2.958 -12.591 -14.765 837 HG3 GLU 106 3HG GLU 106 -4.032 -11.604 -13.778 838 H GLU 107 H GLU 107 1.123 -10.896 -12.940 839 HA GLU 107 HA GLU 107 1.821 -8.076 -13.173 840 HB2 GLU 107 2HB GLU 107 4.213 -9.066 -12.613 841 HB3 GLU 107 3HB GLU 107 2.985 -8.945 -11.365 842 HG2 GLU 107 2HG GLU 107 2.489 -11.314 -11.536 843 HG3 GLU 107 3HG GLU 107 3.592 -11.492 -12.899 Start of MODEL 10 1 H1 MET 1 1H MET 1 4.705 -20.222 39.091 2 H2 MET 1 2H MET 1 3.683 -21.568 39.119 3 H3 MET 1 3H MET 1 3.625 -20.486 37.826 4 HA MET 1 HA MET 1 5.939 -22.178 38.541 5 HB2 MET 1 2HB MET 1 3.970 -22.445 36.223 6 HB3 MET 1 3HB MET 1 5.437 -23.401 36.405 7 HG2 MET 1 2HG MET 1 3.528 -24.719 37.086 8 HG3 MET 1 3HG MET 1 4.514 -24.363 38.506 9 HE1 MET 1 3HE MET 1 1.528 -25.438 38.795 10 HE2 MET 1 1HE MET 1 0.901 -24.355 40.037 11 HE3 MET 1 2HE MET 1 2.538 -24.998 40.177 12 H GLY 2 H GLY 2 4.446 -19.966 36.154 13 HA2 GLY 2 2HA GLY 2 6.917 -18.515 35.771 14 HA3 GLY 2 3HA GLY 2 6.471 -19.493 34.376 15 H HIS 3 H HIS 3 6.567 -17.051 33.636 16 HA HIS 3 HA HIS 3 3.938 -15.723 33.937 17 HB2 HIS 3 2HB HIS 3 6.546 -14.688 32.727 18 HB3 HIS 3 3HB HIS 3 5.054 -13.762 32.823 19 HD1 HIS 3 HD1 HIS 3 4.298 -12.979 35.213 20 HD2 HIS 3 HD2 HIS 3 8.069 -14.720 35.079 21 HE1 HIS 3 HE1 HIS 3 5.396 -12.383 37.389 22 HE2 HIS 3 HE2 HIS 3 7.722 -13.323 37.218 23 H HIS 4 H HIS 4 2.694 -15.185 32.107 24 HA HIS 4 HA HIS 4 2.985 -17.045 29.822 25 HB2 HIS 4 2HB HIS 4 0.953 -17.220 31.270 26 HB3 HIS 4 3HB HIS 4 0.549 -15.551 30.906 27 HD1 HIS 4 HD1 HIS 4 -0.579 -15.077 28.643 28 HD2 HIS 4 HD2 HIS 4 0.382 -19.075 29.209 29 HE1 HIS 4 HE1 HIS 4 -1.858 -16.331 26.891 30 HE2 HIS 4 HE2 HIS 4 -1.270 -18.750 27.259 31 H HIS 5 H HIS 5 3.852 -16.100 28.019 32 HA HIS 5 HA HIS 5 2.962 -13.398 27.207 33 HB2 HIS 5 2HB HIS 5 5.258 -12.831 26.448 34 HB3 HIS 5 3HB HIS 5 5.178 -13.074 28.181 35 HD1 HIS 5 HD1 HIS 5 6.762 -14.767 29.179 36 HD2 HIS 5 HD2 HIS 5 6.677 -14.947 25.028 37 HE1 HIS 5 HE1 HIS 5 8.680 -16.248 28.524 38 HE2 HIS 5 HE2 HIS 5 8.647 -16.286 26.007 39 H HIS 6 H HIS 6 2.498 -13.144 25.115 40 HA HIS 6 HA HIS 6 3.384 -15.085 23.071 41 HB2 HIS 6 2HB HIS 6 0.507 -14.233 23.616 42 HB3 HIS 6 3HB HIS 6 1.001 -14.748 22.011 43 HD1 HIS 6 HD1 HIS 6 0.874 -17.184 21.545 44 HD2 HIS 6 HD2 HIS 6 0.806 -16.375 25.618 45 HE1 HIS 6 HE1 HIS 6 0.379 -19.374 22.661 46 HE2 HIS 6 HE2 HIS 6 0.499 -18.881 25.123 47 H HIS 7 H HIS 7 2.855 -14.176 20.846 48 HA HIS 7 HA HIS 7 3.344 -11.259 20.696 49 HB2 HIS 7 2HB HIS 7 3.970 -13.447 18.659 50 HB3 HIS 7 3HB HIS 7 4.240 -11.726 18.400 51 HD1 HIS 7 HD1 HIS 7 6.448 -14.026 18.409 52 HD2 HIS 7 HD2 HIS 7 5.693 -11.310 21.462 53 HE1 HIS 7 HE1 HIS 7 8.584 -13.860 19.713 54 HE2 HIS 7 HE2 HIS 7 8.155 -12.058 21.408 55 H HIS 8 H HIS 8 2.152 -10.052 19.163 56 HA HIS 8 HA HIS 8 -0.540 -11.098 18.612 57 HB2 HIS 8 2HB HIS 8 -1.079 -8.709 18.027 58 HB3 HIS 8 3HB HIS 8 -0.533 -8.941 19.679 59 HD1 HIS 8 HD1 HIS 8 0.441 -7.346 16.437 60 HD2 HIS 8 HD2 HIS 8 1.888 -7.664 20.315 61 HE1 HIS 8 HE1 HIS 8 2.302 -5.676 16.599 62 HE2 HIS 8 HE2 HIS 8 3.240 -5.978 18.917 63 H SER 9 H SER 9 0.258 -12.597 17.055 64 HA SER 9 HA SER 9 1.572 -11.692 14.620 65 HB2 SER 9 2HB SER 9 0.702 -14.517 15.363 66 HB3 SER 9 3HB SER 9 1.890 -14.046 14.141 67 HG SER 9 HG SER 9 2.684 -12.934 16.370 68 H HIS 10 H HIS 10 -1.542 -11.465 15.424 69 HA HIS 10 HA HIS 10 -2.872 -12.467 13.076 70 HB2 HIS 10 2HB HIS 10 -4.150 -12.094 15.151 71 HB3 HIS 10 3HB HIS 10 -3.727 -10.392 15.152 72 HD1 HIS 10 HD1 HIS 10 -4.945 -8.865 13.414 73 HD2 HIS 10 HD2 HIS 10 -6.375 -12.761 13.574 74 HE1 HIS 10 HE1 HIS 10 -7.142 -8.821 12.206 75 HE2 HIS 10 HE2 HIS 10 -7.880 -11.221 12.152 76 H MET 11 H MET 11 -1.314 -11.694 11.531 77 HA MET 11 HA MET 11 -0.228 -10.296 10.109 78 HB2 MET 11 2HB MET 11 -3.112 -9.392 9.910 79 HB3 MET 11 3HB MET 11 -1.868 -8.764 8.840 80 HG2 MET 11 2HG MET 11 -1.404 -11.090 8.082 81 HG3 MET 11 3HG MET 11 -2.766 -11.646 9.058 82 HE1 MET 11 3HE MET 11 -2.790 -8.137 7.281 83 HE2 MET 11 1HE MET 11 -3.322 -8.569 5.659 84 HE3 MET 11 2HE MET 11 -1.734 -9.080 6.228 85 H PHE 12 H PHE 12 0.973 -9.338 11.943 86 HA PHE 12 HA PHE 12 0.158 -6.902 13.146 87 HB2 PHE 12 2HB PHE 12 2.546 -6.814 14.017 88 HB3 PHE 12 3HB PHE 12 1.657 -8.272 14.408 89 HD1 PHE 12 HD2 PHE 12 2.196 -10.437 13.163 90 HD2 PHE 12 HD1 PHE 12 4.624 -6.928 12.776 91 HE1 PHE 12 HE2 PHE 12 4.038 -11.796 12.262 92 HE2 PHE 12 HE1 PHE 12 6.455 -8.300 11.884 93 HZ PHE 12 HZ PHE 12 6.166 -10.731 11.623 94 H ILE 13 H ILE 13 -0.466 -5.608 11.318 95 HA ILE 13 HA ILE 13 1.429 -4.558 9.503 96 HB ILE 13 HB ILE 13 -1.188 -3.236 10.355 97 HG12 ILE 13 2HG1 ILE 13 -0.727 -5.235 8.084 98 HG13 ILE 13 3HG1 ILE 13 -1.554 -5.595 9.596 99 HG21 ILE 13 1HG2 ILE 13 0.321 -1.735 9.090 100 HG22 ILE 13 2HG2 ILE 13 -1.097 -2.147 8.126 101 HG23 ILE 13 3HG2 ILE 13 0.450 -2.932 7.796 102 HD11 ILE 13 3HD1 ILE 13 -2.479 -3.650 7.483 103 HD12 ILE 13 1HD1 ILE 13 -3.295 -3.964 9.020 104 HD13 ILE 13 2HD1 ILE 13 -3.140 -5.249 7.824 105 H GLN 14 H GLN 14 3.193 -3.714 10.397 106 HA GLN 14 HA GLN 14 2.943 -1.570 12.434 107 HB2 GLN 14 2HB GLN 14 5.360 -1.951 12.881 108 HB3 GLN 14 3HB GLN 14 4.387 -3.389 13.171 109 HG2 GLN 14 2HG GLN 14 5.122 -4.320 11.001 110 HG3 GLN 14 3HG GLN 14 6.103 -2.878 10.727 111 HE21 GLN 14 1HE2 GLN 14 5.777 -5.796 12.623 112 HE22 GLN 14 2HE2 GLN 14 7.386 -5.807 13.247 113 H THR 15 H THR 15 3.905 0.418 12.057 114 HA THR 15 HA THR 15 4.335 1.116 9.231 115 HB THR 15 HB THR 15 4.026 3.495 10.106 116 HG1 THR 15 HG1 THR 15 4.545 3.081 12.302 117 HG21 THR 15 3HG2 THR 15 2.122 2.284 9.090 118 HG22 THR 15 1HG2 THR 15 1.583 3.330 10.408 119 HG23 THR 15 2HG2 THR 15 1.722 1.590 10.664 120 H GLN 16 H GLN 16 6.255 1.791 8.542 121 HA GLN 16 HA GLN 16 8.434 2.474 10.416 122 HB2 GLN 16 2HB GLN 16 9.013 0.439 9.185 123 HB3 GLN 16 3HB GLN 16 8.548 1.174 7.654 124 HG2 GLN 16 2HG GLN 16 10.430 2.756 7.817 125 HG3 GLN 16 3HG GLN 16 10.874 2.090 9.384 126 HE21 GLN 16 1HE2 GLN 16 11.899 0.070 9.472 127 HE22 GLN 16 2HE2 GLN 16 12.591 -0.671 8.072 128 H ASP 17 H ASP 17 8.840 4.613 10.371 129 HA ASP 17 HA ASP 17 7.823 6.419 8.412 130 HB2 ASP 17 2HB ASP 17 8.181 7.141 10.726 131 HB3 ASP 17 3HB ASP 17 9.898 6.765 10.622 132 H THR 18 H THR 18 9.110 7.734 6.938 133 HA THR 18 HA THR 18 11.534 6.373 5.916 134 HB THR 18 HB THR 18 10.743 6.564 3.599 135 HG1 THR 18 HG1 THR 18 8.411 7.745 4.733 136 HG21 THR 18 3HG2 THR 18 8.564 5.258 5.280 137 HG22 THR 18 1HG2 THR 18 10.056 4.479 4.741 138 HG23 THR 18 2HG2 THR 18 8.843 4.977 3.560 139 HA PRO 19 HA PRO 19 13.130 10.603 5.713 140 HB2 PRO 19 2HB PRO 19 14.823 10.468 3.508 141 HB3 PRO 19 3HB PRO 19 15.224 9.806 5.108 142 HG2 PRO 19 2HG PRO 19 14.141 8.377 2.695 143 HG3 PRO 19 3HG PRO 19 15.439 7.884 3.808 144 HD2 PRO 19 2HD PRO 19 12.949 6.854 4.022 145 HD3 PRO 19 3HD PRO 19 13.938 7.172 5.465 146 H ASN 20 H ASN 20 11.116 9.320 3.272 147 HA ASN 20 HA ASN 20 10.669 11.944 2.006 148 HB2 ASN 20 2HB ASN 20 10.850 9.904 0.539 149 HB3 ASN 20 3HB ASN 20 9.433 9.231 1.335 150 HD21 ASN 20 1HD2 ASN 20 10.596 11.688 -0.862 151 HD22 ASN 20 2HD2 ASN 20 9.059 12.110 -1.527 152 HA PRO 21 HA PRO 21 7.465 12.363 5.300 153 HB2 PRO 21 2HB PRO 21 6.930 14.973 3.920 154 HB3 PRO 21 3HB PRO 21 7.329 14.655 5.623 155 HG2 PRO 21 2HG PRO 21 9.146 15.749 4.019 156 HG3 PRO 21 3HG PRO 21 9.623 14.519 5.216 157 HD2 PRO 21 2HD PRO 21 9.169 14.165 2.246 158 HD3 PRO 21 3HD PRO 21 10.499 13.558 3.262 159 H ASN 22 H ASN 22 6.982 12.482 1.863 160 HA ASN 22 HA ASN 22 4.069 12.437 2.031 161 HB2 ASN 22 2HB ASN 22 5.948 12.364 -0.371 162 HB3 ASN 22 3HB ASN 22 4.188 12.341 -0.491 163 HD21 ASN 22 1HD2 ASN 22 4.068 14.304 -1.603 164 HD22 ASN 22 2HD2 ASN 22 4.441 15.821 -0.872 165 H SER 23 H SER 23 6.420 10.080 2.427 166 HA SER 23 HA SER 23 4.576 7.952 1.488 167 HB2 SER 23 2HB SER 23 7.624 7.890 1.359 168 HB3 SER 23 3HB SER 23 6.551 6.564 0.903 169 HG SER 23 HG SER 23 6.468 9.147 -0.260 170 H LEU 24 H LEU 24 4.269 6.223 2.821 171 HA LEU 24 HA LEU 24 5.891 5.904 5.277 172 HB2 LEU 24 2HB LEU 24 3.800 7.104 5.887 173 HB3 LEU 24 3HB LEU 24 2.844 5.841 5.134 174 HG LEU 24 HG LEU 24 3.647 4.219 6.872 175 HD11 LEU 24 1HD1 LEU 24 4.986 6.616 8.147 176 HD12 LEU 24 2HD1 LEU 24 5.796 5.223 7.425 177 HD13 LEU 24 3HD1 LEU 24 4.815 5.014 8.873 178 HD21 LEU 24 3HD2 LEU 24 2.318 5.110 8.739 179 HD22 LEU 24 1HD2 LEU 24 1.519 5.375 7.192 180 HD23 LEU 24 2HD2 LEU 24 2.337 6.714 7.998 181 H LYS 25 H LYS 25 6.406 3.799 5.686 182 HA LYS 25 HA LYS 25 5.516 1.764 3.767 183 HB2 LYS 25 2HB LYS 25 7.938 2.054 4.029 184 HB3 LYS 25 3HB LYS 25 7.819 1.781 5.763 185 HG2 LYS 25 2HG LYS 25 7.243 -0.543 5.436 186 HG3 LYS 25 3HG LYS 25 7.066 -0.317 3.697 187 HD2 LYS 25 2HD LYS 25 9.726 0.157 5.075 188 HD3 LYS 25 3HD LYS 25 9.219 -1.466 4.619 189 HE2 LYS 25 2HE LYS 25 10.676 -0.552 2.905 190 HE3 LYS 25 3HE LYS 25 9.051 -0.727 2.250 191 HZ1 LYS 25 3HZ LYS 25 10.153 1.363 1.638 192 HZ2 LYS 25 1HZ LYS 25 10.188 1.816 3.263 193 HZ3 LYS 25 2HZ LYS 25 8.708 1.617 2.471 194 H PHE 26 H PHE 26 4.118 0.202 4.339 195 HA PHE 26 HA PHE 26 3.505 -0.375 7.169 196 HB2 PHE 26 2HB PHE 26 1.793 -0.804 4.668 197 HB3 PHE 26 3HB PHE 26 1.316 -1.231 6.306 198 HD1 PHE 26 HD2 PHE 26 2.100 1.669 4.066 199 HD2 PHE 26 HD1 PHE 26 0.300 0.402 7.745 200 HE1 PHE 26 HE2 PHE 26 1.091 3.894 4.350 201 HE2 PHE 26 HE1 PHE 26 -0.703 2.633 8.011 202 HZ PHE 26 HZ PHE 26 -0.310 4.374 6.321 203 H ILE 27 H ILE 27 4.764 -2.156 7.697 204 HA ILE 27 HA ILE 27 5.189 -4.370 5.858 205 HB ILE 27 HB ILE 27 5.828 -4.150 8.851 206 HG12 ILE 27 2HG1 ILE 27 8.278 -4.195 7.997 207 HG13 ILE 27 3HG1 ILE 27 7.624 -3.867 6.397 208 HG21 ILE 27 1HG2 ILE 27 5.427 -6.504 8.249 209 HG22 ILE 27 2HG2 ILE 27 7.133 -6.243 8.610 210 HG23 ILE 27 3HG2 ILE 27 6.603 -6.387 6.933 211 HD11 ILE 27 3HD1 ILE 27 8.484 -1.864 7.497 212 HD12 ILE 27 1HD1 ILE 27 7.333 -2.080 8.816 213 HD13 ILE 27 2HD1 ILE 27 6.754 -1.734 7.184 214 HA PRO 28 HA PRO 28 0.949 -5.573 7.007 215 HB2 PRO 28 2HB PRO 28 0.584 -7.632 5.254 216 HB3 PRO 28 3HB PRO 28 0.699 -5.944 4.705 217 HG2 PRO 28 2HG PRO 28 2.850 -8.055 4.739 218 HG3 PRO 28 3HG PRO 28 2.390 -6.946 3.424 219 HD2 PRO 28 2HD PRO 28 4.505 -6.435 5.067 220 HD3 PRO 28 3HD PRO 28 3.516 -5.135 4.365 221 H GLY 29 H GLY 29 3.690 -7.306 7.804 222 HA2 GLY 29 2HA GLY 29 3.993 -8.742 9.598 223 HA3 GLY 29 3HA GLY 29 2.270 -9.075 9.632 224 H LYS 30 H LYS 30 2.785 -9.520 6.495 225 HA LYS 30 HA LYS 30 3.761 -12.305 6.702 226 HB2 LYS 30 2HB LYS 30 1.404 -11.481 4.934 227 HB3 LYS 30 3HB LYS 30 2.003 -13.110 5.239 228 HG2 LYS 30 2HG LYS 30 1.356 -12.621 7.729 229 HG3 LYS 30 3HG LYS 30 0.386 -11.313 7.055 230 HD2 LYS 30 2HD LYS 30 0.085 -14.301 6.582 231 HD3 LYS 30 3HD LYS 30 -1.040 -13.221 7.396 232 HE2 LYS 30 2HE LYS 30 -2.080 -13.516 5.347 233 HE3 LYS 30 3HE LYS 30 -1.165 -12.041 5.041 234 HZ1 LYS 30 3HZ LYS 30 0.506 -13.315 3.905 235 HZ2 LYS 30 1HZ LYS 30 -0.997 -13.709 3.249 236 HZ3 LYS 30 2HZ LYS 30 -0.234 -14.774 4.314 237 HA PRO 31 HA PRO 31 6.426 -11.234 3.245 238 HB2 PRO 31 2HB PRO 31 6.085 -14.054 2.268 239 HB3 PRO 31 3HB PRO 31 7.561 -13.200 2.763 240 HG2 PRO 31 2HG PRO 31 6.514 -15.096 4.318 241 HG3 PRO 31 3HG PRO 31 7.229 -13.628 5.024 242 HD2 PRO 31 2HD PRO 31 4.312 -14.276 4.594 243 HD3 PRO 31 3HD PRO 31 5.108 -13.554 6.013 244 H VAL 32 H VAL 32 5.903 -10.139 1.399 245 HA VAL 32 HA VAL 32 3.560 -11.027 -0.183 246 HB VAL 32 HB VAL 32 3.224 -8.719 -0.953 247 HG11 VAL 32 1HG1 VAL 32 2.017 -9.439 1.046 248 HG12 VAL 32 2HG1 VAL 32 2.402 -7.722 1.149 249 HG13 VAL 32 3HG1 VAL 32 3.341 -8.893 2.082 250 HG21 VAL 32 3HG2 VAL 32 5.535 -7.850 -0.859 251 HG22 VAL 32 1HG2 VAL 32 5.482 -7.865 0.906 252 HG23 VAL 32 2HG2 VAL 32 4.419 -6.787 -0.003 253 H LEU 33 H LEU 33 6.930 -9.831 -0.482 254 HA LEU 33 HA LEU 33 7.138 -10.874 -3.205 255 HB2 LEU 33 2HB LEU 33 7.344 -7.893 -2.628 256 HB3 LEU 33 3HB LEU 33 8.049 -8.623 -4.060 257 HG LEU 33 HG LEU 33 5.076 -8.528 -3.404 258 HD11 LEU 33 1HD1 LEU 33 4.926 -6.962 -5.261 259 HD12 LEU 33 2HD1 LEU 33 6.674 -7.038 -5.503 260 HD13 LEU 33 3HD1 LEU 33 6.014 -6.350 -4.016 261 HD21 LEU 33 3HD2 LEU 33 5.608 -10.568 -4.663 262 HD22 LEU 33 1HD2 LEU 33 6.463 -9.618 -5.882 263 HD23 LEU 33 2HD2 LEU 33 4.721 -9.428 -5.671 264 H GLU 34 H GLU 34 8.550 -12.003 -1.340 265 HA GLU 34 HA GLU 34 11.052 -11.045 -0.597 266 HB2 GLU 34 2HB GLU 34 10.038 -13.190 0.199 267 HB3 GLU 34 3HB GLU 34 10.363 -13.912 -1.376 268 HG2 GLU 34 2HG GLU 34 12.835 -13.435 -0.953 269 HG3 GLU 34 3HG GLU 34 12.383 -12.993 0.695 270 H THR 35 H THR 35 10.028 -12.308 -3.739 271 HA THR 35 HA THR 35 12.728 -12.731 -4.731 272 HB THR 35 HB THR 35 10.072 -12.985 -6.205 273 HG1 THR 35 HG1 THR 35 11.285 -14.576 -4.322 274 HG21 THR 35 3HG2 THR 35 12.000 -12.861 -7.760 275 HG22 THR 35 1HG2 THR 35 11.300 -14.483 -7.749 276 HG23 THR 35 2HG2 THR 35 12.802 -14.164 -6.878 277 H ARG 36 H ARG 36 10.161 -10.245 -5.151 278 HA ARG 36 HA ARG 36 11.937 -8.662 -6.893 279 HB2 ARG 36 2HB ARG 36 10.238 -8.342 -8.606 280 HB3 ARG 36 3HB ARG 36 10.524 -10.068 -8.417 281 HG2 ARG 36 2HG ARG 36 8.423 -10.453 -7.436 282 HG3 ARG 36 3HG ARG 36 8.240 -8.782 -6.911 283 HD2 ARG 36 2HD ARG 36 6.695 -9.265 -8.722 284 HD3 ARG 36 3HD ARG 36 7.893 -8.076 -9.242 285 HE ARG 36 HE ARG 36 8.568 -10.808 -9.914 286 HH11 ARG 36 1HH1 ARG 36 6.866 -7.921 -11.024 287 HH12 ARG 36 2HH1 ARG 36 6.912 -8.403 -12.687 288 HH21 ARG 36 1HH2 ARG 36 8.507 -11.445 -12.101 289 HH22 ARG 36 2HH2 ARG 36 7.833 -10.387 -13.292 290 H THR 37 H THR 37 10.452 -6.633 -7.608 291 HA THR 37 HA THR 37 8.737 -5.656 -5.396 292 HB THR 37 HB THR 37 9.458 -3.308 -5.996 293 HG1 THR 37 HG1 THR 37 11.164 -4.743 -7.733 294 HG21 THR 37 3HG2 THR 37 11.662 -3.339 -4.893 295 HG22 THR 37 1HG2 THR 37 11.765 -5.086 -5.120 296 HG23 THR 37 2HG2 THR 37 10.532 -4.405 -4.055 297 H MET 38 H MET 38 6.917 -4.371 -6.134 298 HA MET 38 HA MET 38 6.302 -4.426 -9.044 299 HB2 MET 38 2HB MET 38 4.474 -5.217 -6.731 300 HB3 MET 38 3HB MET 38 3.853 -4.816 -8.327 301 HG2 MET 38 2HG MET 38 5.795 -7.075 -7.766 302 HG3 MET 38 3HG MET 38 4.046 -7.266 -7.908 303 HE1 MET 38 3HE MET 38 2.699 -6.861 -10.170 304 HE2 MET 38 1HE MET 38 3.453 -6.305 -11.663 305 HE3 MET 38 2HE MET 38 3.361 -5.227 -10.271 306 H ASP 39 H ASP 39 6.393 -2.270 -9.586 307 HA ASP 39 HA ASP 39 5.578 -0.185 -7.743 308 HB2 ASP 39 2HB ASP 39 6.442 1.344 -9.443 309 HB3 ASP 39 3HB ASP 39 7.597 0.044 -9.186 310 H PHE 40 H PHE 40 3.710 0.953 -7.810 311 HA PHE 40 HA PHE 40 1.989 0.912 -10.233 312 HB2 PHE 40 2HB PHE 40 0.842 1.052 -7.403 313 HB3 PHE 40 3HB PHE 40 -0.021 0.748 -8.907 314 HD1 PHE 40 HD2 PHE 40 0.304 -1.491 -10.084 315 HD2 PHE 40 HD1 PHE 40 1.810 -0.754 -6.145 316 HE1 PHE 40 HE2 PHE 40 0.581 -3.900 -9.726 317 HE2 PHE 40 HE1 PHE 40 2.088 -3.167 -5.814 318 HZ PHE 40 HZ PHE 40 1.476 -4.740 -7.599 319 HA PRO 41 HA PRO 41 3.366 5.243 -9.017 320 HB2 PRO 41 2HB PRO 41 3.833 6.169 -11.571 321 HB3 PRO 41 3HB PRO 41 5.022 5.210 -10.660 322 HG2 PRO 41 2HG PRO 41 3.066 4.271 -12.754 323 HG3 PRO 41 3HG PRO 41 4.804 3.910 -12.597 324 HD2 PRO 41 2HD PRO 41 2.932 2.162 -11.740 325 HD3 PRO 41 3HD PRO 41 4.470 2.363 -10.873 326 H THR 42 H THR 42 0.847 4.031 -11.040 327 HA THR 42 HA THR 42 -0.825 6.418 -10.594 328 HB THR 42 HB THR 42 -1.780 6.039 -12.958 329 HG1 THR 42 HG1 THR 42 0.510 5.000 -13.988 330 HG21 THR 42 3HG2 THR 42 1.112 6.977 -12.822 331 HG22 THR 42 1HG2 THR 42 -0.316 7.977 -12.527 332 HG23 THR 42 2HG2 THR 42 -0.020 7.310 -14.134 333 HA PRO 43 HA PRO 43 -4.024 3.371 -9.512 334 HB2 PRO 43 2HB PRO 43 -6.315 4.604 -10.532 335 HB3 PRO 43 3HB PRO 43 -5.544 5.039 -8.990 336 HG2 PRO 43 2HG PRO 43 -5.265 6.361 -11.675 337 HG3 PRO 43 3HG PRO 43 -5.454 7.101 -10.068 338 HD2 PRO 43 2HD PRO 43 -3.034 6.965 -11.251 339 HD3 PRO 43 3HD PRO 43 -3.203 6.764 -9.493 340 H ALA 44 H ALA 44 -3.710 4.500 -12.842 341 HA ALA 44 HA ALA 44 -5.067 2.389 -14.154 342 HB1 ALA 44 3HB ALA 44 -2.692 4.019 -15.136 343 HB2 ALA 44 1HB ALA 44 -4.393 4.458 -15.317 344 HB3 ALA 44 2HB ALA 44 -3.757 3.035 -16.146 345 H ALA 45 H ALA 45 -1.643 2.818 -13.239 346 HA ALA 45 HA ALA 45 -0.625 0.362 -14.125 347 HB1 ALA 45 3HB ALA 45 1.308 0.878 -12.693 348 HB2 ALA 45 1HB ALA 45 0.372 2.127 -11.864 349 HB3 ALA 45 2HB ALA 45 0.770 2.309 -13.575 350 H ALA 46 H ALA 46 -2.509 1.075 -11.298 351 HA ALA 46 HA ALA 46 -1.696 -0.954 -9.535 352 HB1 ALA 46 3HB ALA 46 -3.761 -0.467 -8.327 353 HB2 ALA 46 1HB ALA 46 -4.396 0.393 -9.734 354 HB3 ALA 46 2HB ALA 46 -2.990 1.023 -8.876 355 H PHE 47 H PHE 47 -3.281 -1.414 -12.498 356 HA PHE 47 HA PHE 47 -5.175 -3.409 -11.936 357 HB2 PHE 47 2HB PHE 47 -5.226 -3.888 -14.282 358 HB3 PHE 47 3HB PHE 47 -4.938 -2.164 -14.126 359 HD1 PHE 47 HD1 PHE 47 -2.353 -1.449 -14.222 360 HD2 PHE 47 HD2 PHE 47 -3.903 -5.101 -15.814 361 HE1 PHE 47 HE1 PHE 47 -0.427 -1.613 -15.728 362 HE2 PHE 47 HE2 PHE 47 -1.964 -5.259 -17.310 363 HZ PHE 47 HZ PHE 47 -0.222 -3.519 -17.272 364 H ARG 48 H ARG 48 -1.747 -3.623 -11.842 365 HA ARG 48 HA ARG 48 -1.553 -6.472 -12.319 366 HB2 ARG 48 2HB ARG 48 0.480 -4.391 -11.443 367 HB3 ARG 48 3HB ARG 48 0.874 -6.088 -11.704 368 HG2 ARG 48 2HG ARG 48 0.025 -5.820 -14.082 369 HG3 ARG 48 3HG ARG 48 -0.083 -4.083 -13.770 370 HD2 ARG 48 2HD ARG 48 2.443 -5.765 -13.580 371 HD3 ARG 48 3HD ARG 48 2.015 -4.710 -14.932 372 HE ARG 48 HE ARG 48 1.965 -3.026 -12.798 373 HH11 ARG 48 1HH1 ARG 48 4.423 -5.239 -14.020 374 HH12 ARG 48 2HH1 ARG 48 5.742 -4.269 -13.441 375 HH21 ARG 48 1HH2 ARG 48 3.726 -1.772 -12.058 376 HH22 ARG 48 2HH2 ARG 48 5.352 -2.314 -12.332 377 H SER 49 H SER 49 -2.736 -4.872 -9.686 378 HA SER 49 HA SER 49 -2.504 -7.215 -8.000 379 HB2 SER 49 2HB SER 49 -0.497 -6.157 -7.198 380 HB3 SER 49 3HB SER 49 -1.247 -4.567 -7.167 381 HG SER 49 HG SER 49 -1.300 -6.572 -5.297 382 HA PRO 50 HA PRO 50 -6.657 -5.533 -7.180 383 HB2 PRO 50 2HB PRO 50 -6.925 -7.660 -5.121 384 HB3 PRO 50 3HB PRO 50 -7.859 -7.421 -6.610 385 HG2 PRO 50 2HG PRO 50 -6.103 -9.457 -6.341 386 HG3 PRO 50 3HG PRO 50 -6.402 -8.659 -7.900 387 HD2 PRO 50 2HD PRO 50 -4.090 -8.273 -6.003 388 HD3 PRO 50 3HD PRO 50 -4.088 -8.391 -7.780 389 H LEU 51 H LEU 51 -4.262 -6.299 -4.675 390 HA LEU 51 HA LEU 51 -5.464 -4.893 -2.504 391 HB2 LEU 51 2HB LEU 51 -3.716 -6.604 -2.154 392 HB3 LEU 51 3HB LEU 51 -2.547 -5.616 -3.008 393 HG LEU 51 HG LEU 51 -2.601 -3.929 -1.192 394 HD11 LEU 51 1HD1 LEU 51 -4.563 -5.756 0.215 395 HD12 LEU 51 2HD1 LEU 51 -4.916 -4.165 -0.461 396 HD13 LEU 51 3HD1 LEU 51 -3.808 -4.312 0.899 397 HD21 LEU 51 3HD2 LEU 51 -1.513 -5.238 0.573 398 HD22 LEU 51 1HD2 LEU 51 -0.976 -5.754 -1.025 399 HD23 LEU 51 2HD2 LEU 51 -2.141 -6.734 -0.129 400 H ALA 52 H ALA 52 -3.116 -4.062 -5.029 401 HA ALA 52 HA ALA 52 -2.480 -1.430 -4.223 402 HB1 ALA 52 3HB ALA 52 -1.197 -2.647 -5.933 403 HB2 ALA 52 1HB ALA 52 -1.744 -1.081 -6.544 404 HB3 ALA 52 2HB ALA 52 -2.570 -2.563 -7.040 405 H ARG 53 H ARG 53 -4.997 -2.672 -6.449 406 HA ARG 53 HA ARG 53 -6.204 -0.297 -7.267 407 HB2 ARG 53 2HB ARG 53 -7.649 -2.928 -6.707 408 HB3 ARG 53 3HB ARG 53 -8.230 -1.627 -7.746 409 HG2 ARG 53 2HG ARG 53 -6.426 -2.065 -9.344 410 HG3 ARG 53 3HG ARG 53 -5.752 -3.297 -8.281 411 HD2 ARG 53 2HD ARG 53 -7.977 -4.531 -8.498 412 HD3 ARG 53 3HD ARG 53 -8.387 -3.386 -9.781 413 HE ARG 53 HE ARG 53 -5.991 -4.376 -10.586 414 HH11 ARG 53 1HH1 ARG 53 -8.981 -5.957 -9.618 415 HH12 ARG 53 2HH1 ARG 53 -8.728 -7.337 -10.634 416 HH21 ARG 53 1HH2 ARG 53 -5.718 -6.206 -11.972 417 HH22 ARG 53 2HH2 ARG 53 -6.892 -7.475 -11.954 418 H GLN 54 H GLN 54 -6.804 -2.267 -4.385 419 HA GLN 54 HA GLN 54 -9.044 -0.801 -3.374 420 HB2 GLN 54 2HB GLN 54 -7.180 -2.795 -2.026 421 HB3 GLN 54 3HB GLN 54 -8.657 -2.172 -1.298 422 HG2 GLN 54 2HG GLN 54 -10.018 -3.266 -2.973 423 HG3 GLN 54 3HG GLN 54 -8.589 -3.759 -3.881 424 HE21 GLN 54 1HE2 GLN 54 -10.705 -5.444 -2.760 425 HE22 GLN 54 2HE2 GLN 54 -9.927 -6.549 -1.687 426 H LEU 55 H LEU 55 -5.544 -0.620 -2.860 427 HA LEU 55 HA LEU 55 -5.608 1.245 -0.692 428 HB2 LEU 55 2HB LEU 55 -3.414 0.519 -2.669 429 HB3 LEU 55 3HB LEU 55 -3.166 1.662 -1.355 430 HG LEU 55 HG LEU 55 -3.932 -1.267 -0.982 431 HD11 LEU 55 1HD1 LEU 55 -1.657 -1.068 -1.866 432 HD12 LEU 55 2HD1 LEU 55 -1.661 -1.651 -0.204 433 HD13 LEU 55 3HD1 LEU 55 -1.228 0.027 -0.547 434 HD21 LEU 55 3HD2 LEU 55 -3.144 0.812 1.088 435 HD22 LEU 55 1HD2 LEU 55 -3.435 -0.906 1.395 436 HD23 LEU 55 2HD2 LEU 55 -4.755 0.124 0.852 437 H PHE 56 H PHE 56 -5.468 1.613 -4.245 438 HA PHE 56 HA PHE 56 -5.318 4.480 -4.240 439 HB2 PHE 56 2HB PHE 56 -5.975 2.434 -6.381 440 HB3 PHE 56 3HB PHE 56 -6.146 4.154 -6.706 441 HD1 PHE 56 HD1 PHE 56 -4.147 5.635 -6.694 442 HD2 PHE 56 HD2 PHE 56 -3.756 1.406 -6.299 443 HE1 PHE 56 HE1 PHE 56 -1.782 5.774 -7.301 444 HE2 PHE 56 HE2 PHE 56 -1.393 1.564 -6.900 445 HZ PHE 56 HZ PHE 56 -0.403 3.750 -7.405 446 H ARG 57 H ARG 57 -7.938 2.238 -3.819 447 HA ARG 57 HA ARG 57 -10.137 3.961 -4.393 448 HB2 ARG 57 2HB ARG 57 -9.864 1.507 -2.625 449 HB3 ARG 57 3HB ARG 57 -11.383 2.383 -2.758 450 HG2 ARG 57 2HG ARG 57 -11.448 1.924 -5.177 451 HG3 ARG 57 3HG ARG 57 -9.926 1.035 -5.056 452 HD2 ARG 57 2HD ARG 57 -11.951 -0.444 -5.083 453 HD3 ARG 57 3HD ARG 57 -10.953 -0.642 -3.639 454 HE ARG 57 HE ARG 57 -13.153 1.241 -3.377 455 HH11 ARG 57 1HH1 ARG 57 -12.190 -2.122 -2.925 456 HH12 ARG 57 2HH1 ARG 57 -13.443 -2.440 -1.772 457 HH21 ARG 57 1HH2 ARG 57 -14.786 0.792 -1.869 458 HH22 ARG 57 2HH2 ARG 57 -14.913 -0.794 -1.171 459 H ILE 58 H ILE 58 -7.824 4.003 -1.880 460 HA ILE 58 HA ILE 58 -9.438 5.479 0.058 461 HB ILE 58 HB ILE 58 -6.426 4.907 0.034 462 HG12 ILE 58 2HG1 ILE 58 -8.569 3.340 1.555 463 HG13 ILE 58 3HG1 ILE 58 -7.885 2.817 0.020 464 HG21 ILE 58 1HG2 ILE 58 -6.508 5.398 2.460 465 HG22 ILE 58 2HG2 ILE 58 -8.226 5.783 2.330 466 HG23 ILE 58 3HG2 ILE 58 -7.032 6.788 1.505 467 HD11 ILE 58 3HD1 ILE 58 -6.864 1.650 1.866 468 HD12 ILE 58 1HD1 ILE 58 -6.364 3.173 2.600 469 HD13 ILE 58 2HD1 ILE 58 -5.676 2.667 1.054 470 H GLU 59 H GLU 59 -9.733 7.613 -0.259 471 HA GLU 59 HA GLU 59 -8.399 9.137 -2.258 472 HB2 GLU 59 2HB GLU 59 -9.614 11.110 -1.226 473 HB3 GLU 59 3HB GLU 59 -10.645 9.775 -1.732 474 HG2 GLU 59 2HG GLU 59 -10.779 8.999 0.618 475 HG3 GLU 59 3HG GLU 59 -9.774 10.363 1.116 476 H GLY 60 H GLY 60 -6.610 10.323 -2.144 477 HA2 GLY 60 2HA GLY 60 -5.064 11.748 -0.885 478 HA3 GLY 60 3HA GLY 60 -5.163 10.592 0.435 479 H VAL 61 H VAL 61 -5.166 8.334 -1.608 480 HA VAL 61 HA VAL 61 -2.297 7.928 -1.641 481 HB VAL 61 HB VAL 61 -4.600 6.175 -2.617 482 HG11 VAL 61 1HG1 VAL 61 -2.960 4.315 -2.714 483 HG12 VAL 61 2HG1 VAL 61 -1.654 5.457 -2.378 484 HG13 VAL 61 3HG1 VAL 61 -2.579 5.588 -3.877 485 HG21 VAL 61 3HG2 VAL 61 -4.131 4.845 -0.567 486 HG22 VAL 61 1HG2 VAL 61 -4.606 6.502 -0.180 487 HG23 VAL 61 2HG2 VAL 61 -2.908 6.023 -0.086 488 H LYS 62 H LYS 62 -1.055 8.658 -3.206 489 HA LYS 62 HA LYS 62 -2.030 9.402 -5.854 490 HB2 LYS 62 2HB LYS 62 -0.542 10.912 -4.518 491 HB3 LYS 62 3HB LYS 62 0.745 9.729 -4.625 492 HG2 LYS 62 2HG LYS 62 1.050 11.577 -6.234 493 HG3 LYS 62 3HG LYS 62 0.860 10.021 -7.054 494 HD2 LYS 62 2HD LYS 62 -1.557 10.582 -7.461 495 HD3 LYS 62 3HD LYS 62 -1.284 12.160 -6.718 496 HE2 LYS 62 2HE LYS 62 0.206 11.174 -9.173 497 HE3 LYS 62 3HE LYS 62 -1.265 12.144 -9.237 498 HZ1 LYS 62 3HZ LYS 62 1.318 12.973 -8.018 499 HZ2 LYS 62 1HZ LYS 62 -0.101 13.898 -8.026 500 HZ3 LYS 62 2HZ LYS 62 0.674 13.521 -9.479 501 H SER 63 H SER 63 0.225 7.154 -4.325 502 HA SER 63 HA SER 63 0.400 5.428 -6.602 503 HB2 SER 63 2HB SER 63 2.951 5.644 -6.770 504 HB3 SER 63 3HB SER 63 2.028 6.988 -7.436 505 HG SER 63 HG SER 63 3.541 6.871 -5.071 506 H VAL 64 H VAL 64 1.111 3.417 -6.021 507 HA VAL 64 HA VAL 64 2.009 2.971 -3.224 508 HB VAL 64 HB VAL 64 0.214 1.118 -4.879 509 HG11 VAL 64 1HG1 VAL 64 1.145 0.857 -1.993 510 HG12 VAL 64 2HG1 VAL 64 1.699 -0.123 -3.353 511 HG13 VAL 64 3HG1 VAL 64 0.020 -0.227 -2.822 512 HG21 VAL 64 3HG2 VAL 64 -1.577 1.642 -3.265 513 HG22 VAL 64 1HG2 VAL 64 -1.049 3.092 -4.121 514 HG23 VAL 64 2HG2 VAL 64 -0.524 2.809 -2.458 515 H PHE 65 H PHE 65 3.734 1.627 -3.023 516 HA PHE 65 HA PHE 65 4.856 0.264 -5.377 517 HB2 PHE 65 2HB PHE 65 6.117 2.392 -4.915 518 HB3 PHE 65 3HB PHE 65 6.431 1.842 -3.275 519 HD1 PHE 65 HD2 PHE 65 7.211 1.279 -6.849 520 HD2 PHE 65 HD1 PHE 65 8.194 0.180 -2.829 521 HE1 PHE 65 HE2 PHE 65 9.233 0.139 -7.646 522 HE2 PHE 65 HE1 PHE 65 10.211 -0.955 -3.650 523 HZ PHE 65 HZ PHE 65 10.731 -0.984 -6.051 524 H PHE 66 H PHE 66 4.865 -1.855 -4.915 525 HA PHE 66 HA PHE 66 4.932 -2.826 -2.153 526 HB2 PHE 66 2HB PHE 66 4.515 -4.241 -4.815 527 HB3 PHE 66 3HB PHE 66 4.697 -5.110 -3.298 528 HD1 PHE 66 HD2 PHE 66 2.816 -2.212 -2.511 529 HD2 PHE 66 HD1 PHE 66 2.480 -5.997 -4.484 530 HE1 PHE 66 HE2 PHE 66 0.381 -2.177 -2.194 531 HE2 PHE 66 HE1 PHE 66 0.048 -5.939 -4.155 532 HZ PHE 66 HZ PHE 66 -1.003 -4.030 -3.015 533 H GLY 67 H GLY 67 6.693 -3.572 -1.257 534 HA2 GLY 67 2HA GLY 67 9.200 -3.933 -2.791 535 HA3 GLY 67 3HA GLY 67 9.118 -3.223 -1.184 536 HA PRO 68 HA PRO 68 10.033 -7.917 -1.035 537 HB2 PRO 68 2HB PRO 68 12.304 -7.668 0.561 538 HB3 PRO 68 3HB PRO 68 12.333 -7.716 -1.218 539 HG2 PRO 68 2HG PRO 68 12.402 -5.315 0.602 540 HG3 PRO 68 3HG PRO 68 13.381 -5.659 -0.844 541 HD2 PRO 68 2HD PRO 68 11.280 -4.003 -1.000 542 HD3 PRO 68 3HD PRO 68 11.635 -5.136 -2.325 543 H ASP 69 H ASP 69 8.179 -8.140 0.128 544 HA ASP 69 HA ASP 69 6.908 -8.806 1.844 545 HB2 ASP 69 2HB ASP 69 9.476 -8.897 3.464 546 HB3 ASP 69 3HB ASP 69 7.968 -9.721 3.861 547 H SER 70 H SER 70 7.354 -6.028 1.364 548 HA SER 70 HA SER 70 6.080 -4.878 3.702 549 HB2 SER 70 2HB SER 70 7.742 -2.957 3.766 550 HB3 SER 70 3HB SER 70 8.437 -4.492 4.278 551 HG SER 70 HG SER 70 9.326 -4.703 2.181 552 H ILE 71 H ILE 71 5.121 -2.777 3.141 553 HA ILE 71 HA ILE 71 4.782 -2.287 0.223 554 HB ILE 71 HB ILE 71 2.638 -2.152 2.412 555 HG12 ILE 71 2HG1 ILE 71 2.836 -4.031 0.009 556 HG13 ILE 71 3HG1 ILE 71 3.200 -4.472 1.672 557 HG21 ILE 71 1HG2 ILE 71 2.337 -1.496 -0.545 558 HG22 ILE 71 2HG2 ILE 71 2.265 -0.346 0.790 559 HG23 ILE 71 3HG2 ILE 71 1.014 -1.577 0.623 560 HD11 ILE 71 3HD1 ILE 71 0.497 -3.671 0.598 561 HD12 ILE 71 1HD1 ILE 71 0.859 -4.060 2.284 562 HD13 ILE 71 2HD1 ILE 71 1.032 -5.293 1.038 563 H THR 72 H THR 72 4.689 -0.086 -0.331 564 HA THR 72 HA THR 72 4.927 1.938 1.816 565 HB THR 72 HB THR 72 6.470 1.979 -0.827 566 HG1 THR 72 HG1 THR 72 7.799 0.773 0.265 567 HG21 THR 72 3HG2 THR 72 6.631 3.868 1.560 568 HG22 THR 72 1HG2 THR 72 5.903 4.259 -0.002 569 HG23 THR 72 2HG2 THR 72 7.636 3.942 0.110 570 H VAL 73 H VAL 73 3.361 3.446 1.632 571 HA VAL 73 HA VAL 73 1.927 3.778 -0.945 572 HB VAL 73 HB VAL 73 0.886 4.396 1.870 573 HG11 VAL 73 1HG1 VAL 73 -0.582 4.337 -0.794 574 HG12 VAL 73 2HG1 VAL 73 -0.156 5.785 0.124 575 HG13 VAL 73 3HG1 VAL 73 -1.320 4.634 0.785 576 HG21 VAL 73 3HG2 VAL 73 0.219 1.999 0.106 577 HG22 VAL 73 1HG2 VAL 73 -0.561 2.396 1.643 578 HG23 VAL 73 2HG2 VAL 73 1.149 1.956 1.607 579 H THR 74 H THR 74 1.668 5.880 -1.682 580 HA THR 74 HA THR 74 3.117 8.051 -0.282 581 HB THR 74 HB THR 74 2.817 7.688 -3.301 582 HG1 THR 74 HG1 THR 74 5.031 7.175 -1.570 583 HG21 THR 74 3HG2 THR 74 3.058 10.065 -2.627 584 HG22 THR 74 1HG2 THR 74 4.493 9.493 -3.484 585 HG23 THR 74 2HG2 THR 74 4.523 9.663 -1.727 586 H LYS 75 H LYS 75 2.011 9.926 -0.012 587 HA LYS 75 HA LYS 75 -0.799 10.127 -0.708 588 HB2 LYS 75 2HB LYS 75 -0.825 12.085 0.763 589 HB3 LYS 75 3HB LYS 75 0.009 10.763 1.577 590 HG2 LYS 75 2HG LYS 75 2.191 11.811 0.880 591 HG3 LYS 75 3HG LYS 75 1.277 13.174 0.242 592 HD2 LYS 75 2HD LYS 75 2.140 13.775 2.417 593 HD3 LYS 75 3HD LYS 75 0.389 13.615 2.540 594 HE2 LYS 75 2HE LYS 75 0.614 11.467 3.641 595 HE3 LYS 75 3HE LYS 75 2.354 11.449 3.353 596 HZ1 LYS 75 3HZ LYS 75 1.828 12.075 5.628 597 HZ2 LYS 75 1HZ LYS 75 0.925 13.401 5.087 598 HZ3 LYS 75 2HZ LYS 75 2.594 13.347 4.821 599 H GLU 76 H GLU 76 -1.648 12.085 -1.764 600 HA GLU 76 HA GLU 76 -0.359 12.660 -4.218 601 HB2 GLU 76 2HB GLU 76 -2.764 14.027 -2.963 602 HB3 GLU 76 3HB GLU 76 -2.274 14.177 -4.651 603 HG2 GLU 76 2HG GLU 76 -2.647 11.736 -4.955 604 HG3 GLU 76 3HG GLU 76 -3.179 11.620 -3.276 605 H ASN 77 H ASN 77 -0.464 14.389 -1.201 606 HA ASN 77 HA ASN 77 1.793 15.986 -1.841 607 HB2 ASN 77 2HB ASN 77 0.804 18.229 -1.711 608 HB3 ASN 77 3HB ASN 77 0.104 17.354 -3.058 609 HD21 ASN 77 1HD2 ASN 77 -1.835 15.848 -1.423 610 HD22 ASN 77 2HD2 ASN 77 -3.015 17.000 -0.922 611 H GLU 78 H GLU 78 2.476 17.292 0.048 612 HA GLU 78 HA GLU 78 2.228 15.687 2.393 613 HB2 GLU 78 2HB GLU 78 3.865 17.252 3.421 614 HB3 GLU 78 3HB GLU 78 4.361 16.651 1.853 615 HG2 GLU 78 2HG GLU 78 5.003 18.870 1.737 616 HG3 GLU 78 3HG GLU 78 3.447 18.894 0.918 617 H GLU 79 H GLU 79 0.235 18.117 1.328 618 HA GLU 79 HA GLU 79 -0.749 19.305 3.715 619 HB2 GLU 79 2HB GLU 79 -1.185 20.211 1.477 620 HB3 GLU 79 3HB GLU 79 -2.054 18.752 1.017 621 HG2 GLU 79 2HG GLU 79 -3.796 19.317 2.743 622 HG3 GLU 79 3HG GLU 79 -2.934 20.830 3.046 623 H LEU 80 H LEU 80 -1.363 16.255 2.095 624 HA LEU 80 HA LEU 80 -3.590 15.382 3.690 625 HB2 LEU 80 2HB LEU 80 -1.636 13.875 1.924 626 HB3 LEU 80 3HB LEU 80 -3.052 13.137 2.663 627 HG LEU 80 HG LEU 80 -3.305 15.505 0.767 628 HD11 LEU 80 1HD1 LEU 80 -3.765 13.894 -1.032 629 HD12 LEU 80 2HD1 LEU 80 -3.274 12.575 0.036 630 HD13 LEU 80 3HD1 LEU 80 -2.106 13.806 -0.448 631 HD21 LEU 80 3HD2 LEU 80 -5.273 15.001 2.162 632 HD22 LEU 80 1HD2 LEU 80 -5.280 13.335 1.574 633 HD23 LEU 80 2HD2 LEU 80 -5.590 14.672 0.462 634 H ASP 81 H ASP 81 -3.519 14.459 5.628 635 HA ASP 81 HA ASP 81 -0.971 13.793 6.916 636 HB2 ASP 81 2HB ASP 81 -2.501 15.222 8.161 637 HB3 ASP 81 3HB ASP 81 -3.810 14.053 7.990 638 H TRP 82 H TRP 82 -0.305 11.753 7.474 639 HA TRP 82 HA TRP 82 -1.423 9.513 6.177 640 HB2 TRP 82 2HB TRP 82 0.889 9.885 8.070 641 HB3 TRP 82 3HB TRP 82 0.308 8.247 7.815 642 HD1 TRP 82 HD1 TRP 82 3.076 10.034 6.676 643 HE1 TRP 82 HE1 TRP 82 3.755 9.474 4.262 644 HE3 TRP 82 HE3 TRP 82 -1.285 7.828 5.066 645 HZ2 TRP 82 HZ2 TRP 82 2.604 8.273 1.986 646 HZ3 TRP 82 HZ3 TRP 82 -1.397 7.003 2.753 647 HH2 TRP 82 HH2 TRP 82 0.512 7.224 1.249 648 H ASN 83 H ASN 83 -1.871 10.691 9.482 649 HA ASN 83 HA ASN 83 -2.746 8.235 10.644 650 HB2 ASN 83 2HB ASN 83 -3.442 11.067 11.532 651 HB3 ASN 83 3HB ASN 83 -3.646 9.609 12.499 652 HD21 ASN 83 1HD2 ASN 83 -2.048 12.030 13.002 653 HD22 ASN 83 2HD2 ASN 83 -0.438 11.468 13.281 654 H LEU 84 H LEU 84 -4.298 10.520 8.553 655 HA LEU 84 HA LEU 84 -7.033 9.840 9.112 656 HB2 LEU 84 2HB LEU 84 -5.759 11.124 6.664 657 HB3 LEU 84 3HB LEU 84 -7.494 11.000 6.935 658 HG LEU 84 HG LEU 84 -5.531 12.623 8.614 659 HD11 LEU 84 1HD1 LEU 84 -6.654 14.589 7.691 660 HD12 LEU 84 2HD1 LEU 84 -7.680 13.557 6.689 661 HD13 LEU 84 3HD1 LEU 84 -5.936 13.609 6.413 662 HD21 LEU 84 3HD2 LEU 84 -8.550 12.390 8.897 663 HD22 LEU 84 1HD2 LEU 84 -7.508 13.501 9.792 664 HD23 LEU 84 2HD2 LEU 84 -7.342 11.764 10.023 665 H LEU 85 H LEU 85 -4.630 8.856 6.651 666 HA LEU 85 HA LEU 85 -6.424 7.041 5.288 667 HB2 LEU 85 2HB LEU 85 -3.439 7.536 4.965 668 HB3 LEU 85 3HB LEU 85 -4.365 6.425 3.971 669 HG LEU 85 HG LEU 85 -5.820 8.531 3.382 670 HD11 LEU 85 1HD1 LEU 85 -4.664 10.672 3.373 671 HD12 LEU 85 2HD1 LEU 85 -3.309 9.958 4.255 672 HD13 LEU 85 3HD1 LEU 85 -4.898 10.074 5.015 673 HD21 LEU 85 3HD2 LEU 85 -4.362 9.078 1.477 674 HD22 LEU 85 1HD2 LEU 85 -4.465 7.340 1.745 675 HD23 LEU 85 2HD2 LEU 85 -3.023 8.224 2.251 676 H LYS 86 H LYS 86 -4.005 6.668 7.865 677 HA LYS 86 HA LYS 86 -3.204 4.085 7.625 678 HB2 LYS 86 2HB LYS 86 -3.787 5.622 10.149 679 HB3 LYS 86 3HB LYS 86 -3.193 3.964 10.222 680 HG2 LYS 86 2HG LYS 86 -1.186 4.711 8.883 681 HG3 LYS 86 3HG LYS 86 -1.759 6.377 9.073 682 HD2 LYS 86 2HD LYS 86 -1.685 6.107 11.548 683 HD3 LYS 86 3HD LYS 86 -1.086 4.458 11.345 684 HE2 LYS 86 2HE LYS 86 0.760 5.946 11.883 685 HE3 LYS 86 3HE LYS 86 0.940 5.374 10.224 686 HZ1 LYS 86 3HZ LYS 86 -0.281 7.968 10.950 687 HZ2 LYS 86 1HZ LYS 86 0.147 7.443 9.404 688 HZ3 LYS 86 2HZ LYS 86 1.342 7.781 10.552 689 HA PRO 87 HA PRO 87 -6.977 2.194 10.176 690 HB2 PRO 87 2HB PRO 87 -9.207 4.106 9.502 691 HB3 PRO 87 3HB PRO 87 -8.854 3.278 11.036 692 HG2 PRO 87 2HG PRO 87 -8.366 5.878 10.795 693 HG3 PRO 87 3HG PRO 87 -7.226 4.826 11.666 694 HD2 PRO 87 2HD PRO 87 -7.013 5.902 8.855 695 HD3 PRO 87 3HD PRO 87 -5.772 5.806 10.123 696 H ASP 88 H ASP 88 -7.490 3.964 7.187 697 HA ASP 88 HA ASP 88 -9.277 2.157 5.878 698 HB2 ASP 88 2HB ASP 88 -7.398 4.255 4.703 699 HB3 ASP 88 3HB ASP 88 -8.745 3.513 3.858 700 H ILE 89 H ILE 89 -5.745 2.706 5.752 701 HA ILE 89 HA ILE 89 -5.182 0.800 3.710 702 HB ILE 89 HB ILE 89 -3.334 2.150 5.733 703 HG12 ILE 89 2HG1 ILE 89 -3.842 2.747 2.776 704 HG13 ILE 89 3HG1 ILE 89 -4.485 3.678 4.120 705 HG21 ILE 89 1HG2 ILE 89 -1.431 1.466 4.299 706 HG22 ILE 89 2HG2 ILE 89 -2.532 0.528 3.285 707 HG23 ILE 89 3HG2 ILE 89 -2.268 0.065 4.967 708 HD11 ILE 89 3HD1 ILE 89 -2.206 4.337 4.735 709 HD12 ILE 89 1HD1 ILE 89 -2.630 4.814 3.093 710 HD13 ILE 89 2HD1 ILE 89 -1.577 3.425 3.361 711 H TYR 90 H TYR 90 -5.002 0.673 7.266 712 HA TYR 90 HA TYR 90 -4.066 -1.939 7.656 713 HB2 TYR 90 2HB TYR 90 -5.759 -0.061 9.332 714 HB3 TYR 90 3HB TYR 90 -5.536 -1.722 9.867 715 HD1 TYR 90 HD2 TYR 90 -3.284 1.024 8.526 716 HD2 TYR 90 HD1 TYR 90 -3.916 -1.968 11.511 717 HE1 TYR 90 HE2 TYR 90 -1.165 1.642 9.594 718 HE2 TYR 90 HE1 TYR 90 -1.796 -1.350 12.571 719 HH TYR 90 HH TYR 90 0.349 -0.278 11.919 720 H ALA 91 H ALA 91 -7.408 -0.707 7.409 721 HA ALA 91 HA ALA 91 -8.794 -3.130 7.710 722 HB1 ALA 91 3HB ALA 91 -9.854 -0.913 7.906 723 HB2 ALA 91 1HB ALA 91 -10.718 -1.932 6.748 724 HB3 ALA 91 2HB ALA 91 -9.643 -0.651 6.175 725 H THR 92 H THR 92 -7.611 -1.487 4.792 726 HA THR 92 HA THR 92 -8.700 -3.152 2.814 727 HB THR 92 HB THR 92 -6.264 -1.326 2.800 728 HG1 THR 92 HG1 THR 92 -8.429 -0.430 3.019 729 HG21 THR 92 3HG2 THR 92 -6.335 -1.408 0.326 730 HG22 THR 92 1HG2 THR 92 -7.559 -2.676 0.408 731 HG23 THR 92 2HG2 THR 92 -5.930 -2.983 1.012 732 H ILE 93 H ILE 93 -5.443 -3.192 4.306 733 HA ILE 93 HA ILE 93 -4.395 -5.370 2.829 734 HB ILE 93 HB ILE 93 -3.531 -4.217 5.521 735 HG12 ILE 93 2HG1 ILE 93 -2.343 -3.820 2.728 736 HG13 ILE 93 3HG1 ILE 93 -3.341 -2.647 3.581 737 HG21 ILE 93 1HG2 ILE 93 -2.002 -6.183 3.776 738 HG22 ILE 93 2HG2 ILE 93 -2.712 -6.528 5.352 739 HG23 ILE 93 3HG2 ILE 93 -1.375 -5.390 5.226 740 HD11 ILE 93 3HD1 ILE 93 -1.601 -2.458 5.318 741 HD12 ILE 93 1HD1 ILE 93 -1.014 -2.030 3.712 742 HD13 ILE 93 2HD1 ILE 93 -0.593 -3.591 4.413 743 H MET 94 H MET 94 -5.821 -5.245 6.144 744 HA MET 94 HA MET 94 -5.472 -7.968 6.779 745 HB2 MET 94 2HB MET 94 -7.494 -5.961 7.847 746 HB3 MET 94 3HB MET 94 -7.353 -7.595 8.484 747 HG2 MET 94 2HG MET 94 -4.991 -7.118 9.091 748 HG3 MET 94 3HG MET 94 -5.213 -5.457 8.540 749 HE1 MET 94 3HE MET 94 -7.889 -4.131 11.131 750 HE2 MET 94 1HE MET 94 -8.250 -4.864 9.569 751 HE3 MET 94 2HE MET 94 -6.911 -3.723 9.720 752 H ASP 95 H ASP 95 -8.324 -6.292 5.427 753 HA ASP 95 HA ASP 95 -10.067 -8.494 5.289 754 HB2 ASP 95 2HB ASP 95 -10.803 -6.126 5.149 755 HB3 ASP 95 3HB ASP 95 -10.040 -5.973 3.568 756 H PHE 96 H PHE 96 -7.774 -7.204 2.923 757 HA PHE 96 HA PHE 96 -8.417 -8.726 0.654 758 HB2 PHE 96 2HB PHE 96 -6.974 -6.757 0.531 759 HB3 PHE 96 3HB PHE 96 -5.786 -7.500 1.589 760 HD1 PHE 96 HD2 PHE 96 -7.243 -7.589 -1.830 761 HD2 PHE 96 HD1 PHE 96 -4.077 -8.976 0.703 762 HE1 PHE 96 HE2 PHE 96 -6.011 -8.418 -3.787 763 HE2 PHE 96 HE1 PHE 96 -2.865 -9.791 -1.266 764 HZ PHE 96 HZ PHE 96 -3.835 -9.513 -3.512 765 H PHE 97 H PHE 97 -5.898 -9.300 3.117 766 HA PHE 97 HA PHE 97 -5.097 -11.860 2.076 767 HB2 PHE 97 2HB PHE 97 -4.415 -10.370 4.629 768 HB3 PHE 97 3HB PHE 97 -3.810 -11.995 4.326 769 HD1 PHE 97 HD1 PHE 97 -2.260 -12.408 2.394 770 HD2 PHE 97 HD2 PHE 97 -3.387 -8.448 3.527 771 HE1 PHE 97 HE1 PHE 97 -0.334 -11.501 1.188 772 HE2 PHE 97 HE2 PHE 97 -1.467 -7.547 2.304 773 HZ PHE 97 HZ PHE 97 0.066 -9.070 1.129 774 H ALA 98 H ALA 98 -7.452 -10.834 4.469 775 HA ALA 98 HA ALA 98 -7.927 -13.380 5.684 776 HB1 ALA 98 3HB ALA 98 -8.643 -11.271 6.758 777 HB2 ALA 98 1HB ALA 98 -10.003 -12.378 6.547 778 HB3 ALA 98 2HB ALA 98 -9.808 -10.999 5.460 779 H SER 99 H SER 99 -9.141 -11.733 2.801 780 HA SER 99 HA SER 99 -11.156 -13.718 2.165 781 HB2 SER 99 2HB SER 99 -9.982 -11.491 0.442 782 HB3 SER 99 3HB SER 99 -11.430 -12.430 0.075 783 HG SER 99 HG SER 99 -11.215 -10.997 2.489 784 H GLY 100 H GLY 100 -7.765 -13.349 1.713 785 HA2 GLY 100 2HA GLY 100 -6.167 -14.691 0.791 786 HA3 GLY 100 3HA GLY 100 -7.409 -15.904 0.505 787 H LEU 101 H LEU 101 -7.251 -12.573 -0.715 788 HA LEU 101 HA LEU 101 -7.676 -13.420 -3.449 789 HB2 LEU 101 2HB LEU 101 -7.095 -10.652 -2.310 790 HB3 LEU 101 3HB LEU 101 -7.617 -10.983 -3.955 791 HG LEU 101 HG LEU 101 -9.266 -11.385 -1.426 792 HD11 LEU 101 1HD1 LEU 101 -9.014 -9.032 -2.014 793 HD12 LEU 101 2HD1 LEU 101 -10.669 -9.568 -2.287 794 HD13 LEU 101 3HD1 LEU 101 -9.575 -9.353 -3.659 795 HD21 LEU 101 3HD2 LEU 101 -11.144 -11.946 -2.913 796 HD22 LEU 101 1HD2 LEU 101 -9.832 -13.113 -3.055 797 HD23 LEU 101 2HD2 LEU 101 -10.066 -11.896 -4.311 798 HA PRO 102 HA PRO 102 -3.332 -13.844 -4.593 799 HB2 PRO 102 2HB PRO 102 -3.439 -13.042 -7.273 800 HB3 PRO 102 3HB PRO 102 -3.943 -14.645 -6.694 801 HG2 PRO 102 2HG PRO 102 -5.641 -12.229 -7.272 802 HG3 PRO 102 3HG PRO 102 -5.930 -13.933 -7.700 803 HD2 PRO 102 2HD PRO 102 -7.190 -12.817 -5.610 804 HD3 PRO 102 3HD PRO 102 -6.627 -14.501 -5.527 805 H LEU 103 H LEU 103 -1.747 -12.488 -3.963 806 HA LEU 103 HA LEU 103 -1.918 -9.766 -3.545 807 HB2 LEU 103 2HB LEU 103 -0.276 -11.493 -2.564 808 HB3 LEU 103 3HB LEU 103 0.685 -11.293 -4.010 809 HG LEU 103 HG LEU 103 1.494 -10.062 -1.924 810 HD11 LEU 103 1HD1 LEU 103 1.015 -8.270 -4.309 811 HD12 LEU 103 2HD1 LEU 103 2.339 -9.421 -4.126 812 HD13 LEU 103 3HD1 LEU 103 2.223 -8.039 -3.039 813 HD21 LEU 103 3HD2 LEU 103 -0.852 -8.221 -2.460 814 HD22 LEU 103 1HD2 LEU 103 0.431 -7.971 -1.271 815 HD23 LEU 103 2HD2 LEU 103 -0.689 -9.321 -1.088 816 H VAL 104 H VAL 104 -0.209 -11.444 -6.184 817 HA VAL 104 HA VAL 104 -0.326 -8.999 -7.879 818 HB VAL 104 HB VAL 104 1.658 -11.331 -7.982 819 HG11 VAL 104 1HG1 VAL 104 1.596 -8.803 -9.666 820 HG12 VAL 104 2HG1 VAL 104 1.217 -10.431 -10.231 821 HG13 VAL 104 3HG1 VAL 104 2.856 -10.042 -9.707 822 HG21 VAL 104 3HG2 VAL 104 3.373 -9.699 -7.284 823 HG22 VAL 104 1HG2 VAL 104 2.105 -9.841 -6.066 824 HG23 VAL 104 2HG2 VAL 104 2.139 -8.443 -7.145 825 H THR 105 H THR 105 -1.858 -9.180 -9.443 826 HA THR 105 HA THR 105 -2.895 -11.721 -10.394 827 HB THR 105 HB THR 105 -4.127 -10.187 -12.089 828 HG1 THR 105 HG1 THR 105 -3.786 -8.086 -12.014 829 HG21 THR 105 3HG2 THR 105 -5.742 -9.359 -10.436 830 HG22 THR 105 1HG2 THR 105 -4.574 -9.635 -9.138 831 HG23 THR 105 2HG2 THR 105 -5.230 -11.002 -10.041 832 H GLU 106 H GLU 106 -1.085 -9.006 -11.825 833 HA GLU 106 HA GLU 106 0.206 -10.821 -13.794 834 HB2 GLU 106 2HB GLU 106 -0.756 -7.961 -14.320 835 HB3 GLU 106 3HB GLU 106 0.134 -8.980 -15.457 836 HG2 GLU 106 2HG GLU 106 -1.758 -10.589 -15.461 837 HG3 GLU 106 3HG GLU 106 -2.651 -9.525 -14.376 838 H GLU 107 H GLU 107 2.437 -10.525 -13.966 839 HA GLU 107 HA GLU 107 3.586 -8.765 -11.886 840 HB2 GLU 107 2HB GLU 107 5.563 -10.528 -12.117 841 HB3 GLU 107 3HB GLU 107 4.159 -10.851 -11.128 842 HG2 GLU 107 2HG GLU 107 4.656 -12.858 -12.277 843 HG3 GLU 107 3HG GLU 107 3.210 -12.201 -13.036 Start of MODEL 11 1 H1 MET 1 1H MET 1 -27.528 -7.984 23.145 2 H2 MET 1 2H MET 1 -26.514 -6.921 22.304 3 H3 MET 1 3H MET 1 -27.196 -6.447 23.762 4 HA MET 1 HA MET 1 -24.802 -7.098 23.830 5 HB2 MET 1 2HB MET 1 -26.746 -8.625 25.611 6 HB3 MET 1 3HB MET 1 -25.051 -8.336 25.986 7 HG2 MET 1 2HG MET 1 -25.481 -5.904 26.033 8 HG3 MET 1 3HG MET 1 -27.184 -6.208 25.675 9 HE1 MET 1 3HE MET 1 -27.364 -5.074 29.420 10 HE2 MET 1 1HE MET 1 -28.048 -4.862 27.808 11 HE3 MET 1 2HE MET 1 -26.368 -4.419 28.122 12 H GLY 2 H GLY 2 -23.468 -9.108 24.389 13 HA2 GLY 2 2HA GLY 2 -23.239 -11.540 24.103 14 HA3 GLY 2 3HA GLY 2 -24.170 -11.403 22.617 15 H HIS 3 H HIS 3 -21.097 -11.697 23.812 16 HA HIS 3 HA HIS 3 -19.643 -10.082 21.887 17 HB2 HIS 3 2HB HIS 3 -18.666 -12.270 23.784 18 HB3 HIS 3 3HB HIS 3 -17.619 -11.238 22.818 19 HD1 HIS 3 HD1 HIS 3 -16.966 -9.027 23.817 20 HD2 HIS 3 HD2 HIS 3 -20.087 -10.848 25.873 21 HE1 HIS 3 HE1 HIS 3 -17.327 -7.638 25.881 22 HE2 HIS 3 HE2 HIS 3 -19.180 -8.793 27.131 23 H HIS 4 H HIS 4 -19.732 -10.660 19.816 24 HA HIS 4 HA HIS 4 -20.214 -13.340 18.866 25 HB2 HIS 4 2HB HIS 4 -19.432 -10.802 17.353 26 HB3 HIS 4 3HB HIS 4 -19.907 -12.314 16.587 27 HD1 HIS 4 HD1 HIS 4 -22.355 -12.656 16.202 28 HD2 HIS 4 HD2 HIS 4 -21.608 -9.551 18.858 29 HE1 HIS 4 HE1 HIS 4 -24.573 -11.559 16.599 30 HE2 HIS 4 HE2 HIS 4 -24.122 -9.832 18.368 31 H HIS 5 H HIS 5 -18.727 -14.810 18.033 32 HA HIS 5 HA HIS 5 -15.907 -14.360 18.523 33 HB2 HIS 5 2HB HIS 5 -15.526 -16.648 17.747 34 HB3 HIS 5 3HB HIS 5 -16.861 -16.623 18.880 35 HD1 HIS 5 HD1 HIS 5 -15.998 -17.403 15.351 36 HD2 HIS 5 HD2 HIS 5 -19.379 -17.337 17.744 37 HE1 HIS 5 HE1 HIS 5 -17.749 -18.625 14.059 38 HE2 HIS 5 HE2 HIS 5 -19.833 -18.427 15.458 39 H HIS 6 H HIS 6 -15.017 -12.884 17.260 40 HA HIS 6 HA HIS 6 -15.787 -12.250 14.605 41 HB2 HIS 6 2HB HIS 6 -13.930 -10.673 14.604 42 HB3 HIS 6 3HB HIS 6 -14.686 -10.625 16.188 43 HD1 HIS 6 HD1 HIS 6 -11.549 -10.116 15.062 44 HD2 HIS 6 HD2 HIS 6 -12.983 -12.953 17.737 45 HE1 HIS 6 HE1 HIS 6 -9.558 -10.866 16.384 46 HE2 HIS 6 HE2 HIS 6 -10.430 -12.678 17.892 47 H HIS 7 H HIS 7 -14.949 -12.877 12.643 48 HA HIS 7 HA HIS 7 -12.919 -15.005 12.611 49 HB2 HIS 7 2HB HIS 7 -15.339 -14.587 11.059 50 HB3 HIS 7 3HB HIS 7 -13.979 -14.589 9.950 51 HD1 HIS 7 HD1 HIS 7 -16.092 -16.823 11.953 52 HD2 HIS 7 HD2 HIS 7 -12.411 -17.055 10.046 53 HE1 HIS 7 HE1 HIS 7 -15.547 -19.268 11.841 54 HE2 HIS 7 HE2 HIS 7 -13.258 -19.370 10.804 55 H HIS 8 H HIS 8 -13.385 -11.671 11.815 56 HA HIS 8 HA HIS 8 -11.026 -11.339 10.182 57 HB2 HIS 8 2HB HIS 8 -12.544 -9.261 11.836 58 HB3 HIS 8 3HB HIS 8 -11.318 -8.901 10.626 59 HD1 HIS 8 HD1 HIS 8 -13.806 -7.513 10.102 60 HD2 HIS 8 HD2 HIS 8 -13.314 -11.440 8.846 61 HE1 HIS 8 HE1 HIS 8 -15.497 -7.857 8.281 62 HE2 HIS 8 HE2 HIS 8 -15.058 -10.181 7.423 63 H SER 9 H SER 9 -9.236 -12.199 11.171 64 HA SER 9 HA SER 9 -8.878 -12.280 14.001 65 HB2 SER 9 2HB SER 9 -8.081 -14.063 12.418 66 HB3 SER 9 3HB SER 9 -6.847 -12.953 11.829 67 HG SER 9 HG SER 9 -6.021 -14.332 13.429 68 H HIS 10 H HIS 10 -6.689 -11.674 14.954 69 HA HIS 10 HA HIS 10 -6.411 -8.823 14.874 70 HB2 HIS 10 2HB HIS 10 -4.639 -9.243 16.653 71 HB3 HIS 10 3HB HIS 10 -6.245 -9.841 17.024 72 HD1 HIS 10 HD1 HIS 10 -2.795 -11.066 16.073 73 HD2 HIS 10 HD2 HIS 10 -6.397 -12.589 17.490 74 HE1 HIS 10 HE1 HIS 10 -2.312 -13.429 16.751 75 HE2 HIS 10 HE2 HIS 10 -4.519 -14.349 17.545 76 H MET 11 H MET 11 -5.824 -8.588 12.678 77 HA MET 11 HA MET 11 -3.230 -9.514 11.710 78 HB2 MET 11 2HB MET 11 -5.409 -9.533 10.349 79 HB3 MET 11 3HB MET 11 -5.293 -7.781 10.284 80 HG2 MET 11 2HG MET 11 -3.188 -9.662 9.194 81 HG3 MET 11 3HG MET 11 -4.491 -8.971 8.230 82 HE1 MET 11 3HE MET 11 -2.856 -8.008 6.469 83 HE2 MET 11 1HE MET 11 -1.466 -8.683 7.323 84 HE3 MET 11 2HE MET 11 -1.470 -6.986 6.843 85 H PHE 12 H PHE 12 -1.723 -8.375 12.842 86 HA PHE 12 HA PHE 12 -1.872 -5.497 13.235 87 HB2 PHE 12 2HB PHE 12 0.241 -7.529 14.075 88 HB3 PHE 12 3HB PHE 12 0.228 -5.835 14.553 89 HD1 PHE 12 HD2 PHE 12 -2.114 -5.056 15.662 90 HD2 PHE 12 HD1 PHE 12 -0.614 -9.070 15.647 91 HE1 PHE 12 HE2 PHE 12 -3.490 -5.586 17.629 92 HE2 PHE 12 HE1 PHE 12 -1.996 -9.583 17.616 93 HZ PHE 12 HZ PHE 12 -3.430 -7.842 18.607 94 H ILE 13 H ILE 13 -1.355 -4.285 11.496 95 HA ILE 13 HA ILE 13 1.072 -4.786 9.915 96 HB ILE 13 HB ILE 13 -0.892 -2.437 9.791 97 HG12 ILE 13 2HG1 ILE 13 -0.748 -4.868 7.945 98 HG13 ILE 13 3HG1 ILE 13 -1.973 -4.611 9.183 99 HG21 ILE 13 1HG2 ILE 13 1.333 -1.851 8.904 100 HG22 ILE 13 2HG2 ILE 13 0.143 -1.915 7.604 101 HG23 ILE 13 3HG2 ILE 13 1.286 -3.244 7.819 102 HD11 ILE 13 3HD1 ILE 13 -2.850 -4.069 7.012 103 HD12 ILE 13 1HD1 ILE 13 -1.545 -2.920 6.717 104 HD13 ILE 13 2HD1 ILE 13 -2.740 -2.601 7.980 105 H GLN 14 H GLN 14 2.977 -3.759 10.413 106 HA GLN 14 HA GLN 14 3.030 -1.731 12.576 107 HB2 GLN 14 2HB GLN 14 5.433 -2.377 12.859 108 HB3 GLN 14 3HB GLN 14 4.332 -3.725 13.132 109 HG2 GLN 14 2HG GLN 14 4.831 -4.585 10.868 110 HG3 GLN 14 3HG GLN 14 5.930 -3.233 10.606 111 HE21 GLN 14 1HE2 GLN 14 5.468 -6.263 12.237 112 HE22 GLN 14 2HE2 GLN 14 7.101 -6.472 12.747 113 H THR 15 H THR 15 3.864 0.289 12.155 114 HA THR 15 HA THR 15 4.366 0.979 9.324 115 HB THR 15 HB THR 15 3.874 3.346 10.103 116 HG1 THR 15 HG1 THR 15 2.820 2.226 12.482 117 HG21 THR 15 3HG2 THR 15 1.440 3.052 10.343 118 HG22 THR 15 1HG2 THR 15 1.668 1.335 10.693 119 HG23 THR 15 2HG2 THR 15 2.071 1.974 9.096 120 H GLN 16 H GLN 16 6.217 2.004 8.689 121 HA GLN 16 HA GLN 16 8.249 2.865 10.649 122 HB2 GLN 16 2HB GLN 16 8.836 0.561 9.862 123 HB3 GLN 16 3HB GLN 16 8.796 1.124 8.194 124 HG2 GLN 16 2HG GLN 16 10.692 2.653 8.679 125 HG3 GLN 16 3HG GLN 16 10.728 2.075 10.342 126 HE21 GLN 16 1HE2 GLN 16 11.468 -0.068 10.752 127 HE22 GLN 16 2HE2 GLN 16 12.423 -0.918 9.591 128 H ASP 17 H ASP 17 9.069 4.852 10.110 129 HA ASP 17 HA ASP 17 8.032 6.215 7.770 130 HB2 ASP 17 2HB ASP 17 9.082 8.236 8.618 131 HB3 ASP 17 3HB ASP 17 8.250 7.424 9.933 132 H THR 18 H THR 18 9.449 7.426 6.292 133 HA THR 18 HA THR 18 11.796 5.834 5.429 134 HB THR 18 HB THR 18 10.923 6.053 3.058 135 HG1 THR 18 HG1 THR 18 9.332 7.809 3.856 136 HG21 THR 18 3HG2 THR 18 9.049 4.551 4.936 137 HG22 THR 18 1HG2 THR 18 10.568 3.930 4.277 138 HG23 THR 18 2HG2 THR 18 9.211 4.267 3.201 139 HA PRO 19 HA PRO 19 13.957 9.735 4.777 140 HB2 PRO 19 2HB PRO 19 14.978 9.431 2.151 141 HB3 PRO 19 3HB PRO 19 15.740 8.809 3.632 142 HG2 PRO 19 2HG PRO 19 13.952 7.384 1.684 143 HG3 PRO 19 3HG PRO 19 15.432 6.808 2.485 144 HD2 PRO 19 2HD PRO 19 13.050 6.009 3.380 145 HD3 PRO 19 3HD PRO 19 14.331 6.426 4.544 146 H ASN 20 H ASN 20 11.668 8.748 2.289 147 HA ASN 20 HA ASN 20 11.062 11.506 1.507 148 HB2 ASN 20 2HB ASN 20 9.792 8.869 0.629 149 HB3 ASN 20 3HB ASN 20 9.476 10.448 -0.088 150 HD21 ASN 20 1HD2 ASN 20 11.183 11.472 -1.274 151 HD22 ASN 20 2HD2 ASN 20 12.471 10.553 -1.954 152 HA PRO 21 HA PRO 21 8.109 11.445 5.036 153 HB2 PRO 21 2HB PRO 21 7.428 14.226 4.220 154 HB3 PRO 21 3HB PRO 21 8.152 13.649 5.733 155 HG2 PRO 21 2HG PRO 21 9.587 15.070 3.944 156 HG3 PRO 21 3HG PRO 21 10.318 13.779 4.924 157 HD2 PRO 21 2HD PRO 21 9.403 13.662 2.050 158 HD3 PRO 21 3HD PRO 21 10.903 13.038 2.779 159 H ASN 22 H ASN 22 7.466 12.336 1.758 160 HA ASN 22 HA ASN 22 4.652 12.464 1.652 161 HB2 ASN 22 2HB ASN 22 6.621 11.547 -0.493 162 HB3 ASN 22 3HB ASN 22 4.978 12.119 -0.777 163 HD21 ASN 22 1HD2 ASN 22 4.636 14.313 -0.931 164 HD22 ASN 22 2HD2 ASN 22 5.876 15.497 -0.781 165 H SER 23 H SER 23 6.740 9.813 2.160 166 HA SER 23 HA SER 23 4.726 7.789 1.373 167 HB2 SER 23 2HB SER 23 7.770 7.556 1.222 168 HB3 SER 23 3HB SER 23 6.608 6.288 0.793 169 HG SER 23 HG SER 23 5.871 7.574 -0.876 170 H LEU 24 H LEU 24 4.440 6.059 2.762 171 HA LEU 24 HA LEU 24 6.070 5.833 5.213 172 HB2 LEU 24 2HB LEU 24 3.921 7.022 5.728 173 HB3 LEU 24 3HB LEU 24 3.027 5.648 5.104 174 HG LEU 24 HG LEU 24 3.896 4.222 6.949 175 HD11 LEU 24 1HD1 LEU 24 5.270 6.729 7.953 176 HD12 LEU 24 2HD1 LEU 24 6.055 5.282 7.314 177 HD13 LEU 24 3HD1 LEU 24 5.147 5.191 8.820 178 HD21 LEU 24 3HD2 LEU 24 2.651 5.236 8.799 179 HD22 LEU 24 1HD2 LEU 24 1.776 5.414 7.281 180 HD23 LEU 24 2HD2 LEU 24 2.639 6.794 7.964 181 H LYS 25 H LYS 25 6.569 3.751 5.750 182 HA LYS 25 HA LYS 25 6.010 1.665 3.767 183 HB2 LYS 25 2HB LYS 25 8.336 2.286 4.304 184 HB3 LYS 25 3HB LYS 25 8.056 1.953 6.006 185 HG2 LYS 25 2HG LYS 25 7.722 -0.470 5.390 186 HG3 LYS 25 3HG LYS 25 8.205 -0.057 3.736 187 HD2 LYS 25 2HD LYS 25 10.386 0.763 4.567 188 HD3 LYS 25 3HD LYS 25 9.903 0.413 6.229 189 HE2 LYS 25 2HE LYS 25 11.342 -1.360 5.546 190 HE3 LYS 25 3HE LYS 25 9.710 -2.022 5.534 191 HZ1 LYS 25 3HZ LYS 25 10.936 -2.695 3.588 192 HZ2 LYS 25 1HZ LYS 25 11.228 -1.087 3.162 193 HZ3 LYS 25 2HZ LYS 25 9.652 -1.696 3.130 194 H PHE 26 H PHE 26 4.470 0.175 4.249 195 HA PHE 26 HA PHE 26 3.621 -0.307 7.042 196 HB2 PHE 26 2HB PHE 26 2.106 -0.646 4.410 197 HB3 PHE 26 3HB PHE 26 1.476 -1.148 5.974 198 HD1 PHE 26 HD2 PHE 26 2.430 1.804 3.909 199 HD2 PHE 26 HD1 PHE 26 0.500 0.454 7.488 200 HE1 PHE 26 HE2 PHE 26 1.475 4.043 4.252 201 HE2 PHE 26 HE1 PHE 26 -0.453 2.695 7.811 202 HZ PHE 26 HZ PHE 26 0.033 4.486 6.199 203 H ILE 27 H ILE 27 4.914 -2.066 7.676 204 HA ILE 27 HA ILE 27 5.253 -4.380 5.941 205 HB ILE 27 HB ILE 27 6.013 -4.056 8.887 206 HG12 ILE 27 2HG1 ILE 27 8.439 -4.023 7.977 207 HG13 ILE 27 3HG1 ILE 27 7.740 -3.708 6.398 208 HG21 ILE 27 1HG2 ILE 27 6.797 -6.256 6.949 209 HG22 ILE 27 2HG2 ILE 27 5.672 -6.411 8.298 210 HG23 ILE 27 3HG2 ILE 27 7.381 -6.097 8.608 211 HD11 ILE 27 3HD1 ILE 27 8.555 -1.685 7.476 212 HD12 ILE 27 1HD1 ILE 27 7.461 -1.949 8.834 213 HD13 ILE 27 2HD1 ILE 27 6.811 -1.609 7.226 214 HA PRO 28 HA PRO 28 1.200 -5.659 7.703 215 HB2 PRO 28 2HB PRO 28 0.435 -7.406 5.792 216 HB3 PRO 28 3HB PRO 28 0.532 -5.667 5.435 217 HG2 PRO 28 2HG PRO 28 2.489 -7.845 4.742 218 HG3 PRO 28 3HG PRO 28 1.914 -6.488 3.745 219 HD2 PRO 28 2HD PRO 28 4.320 -6.488 5.164 220 HD3 PRO 28 3HD PRO 28 3.470 -5.024 4.626 221 H GLY 29 H GLY 29 4.066 -7.206 7.851 222 HA2 GLY 29 2HA GLY 29 4.804 -8.919 9.212 223 HA3 GLY 29 3HA GLY 29 3.147 -9.447 9.458 224 H LYS 30 H LYS 30 2.852 -9.353 6.401 225 HA LYS 30 HA LYS 30 3.980 -12.003 5.805 226 HB2 LYS 30 2HB LYS 30 1.585 -10.544 4.606 227 HB3 LYS 30 3HB LYS 30 2.181 -12.110 4.053 228 HG2 LYS 30 2HG LYS 30 1.730 -13.045 6.322 229 HG3 LYS 30 3HG LYS 30 1.056 -11.489 6.806 230 HD2 LYS 30 2HD LYS 30 -0.709 -13.096 6.227 231 HD3 LYS 30 3HD LYS 30 -0.725 -11.709 5.139 232 HE2 LYS 30 2HE LYS 30 -1.103 -13.853 3.953 233 HE3 LYS 30 3HE LYS 30 0.353 -13.039 3.382 234 HZ1 LYS 30 3HZ LYS 30 0.677 -15.413 3.693 235 HZ2 LYS 30 1HZ LYS 30 0.279 -15.278 5.329 236 HZ3 LYS 30 2HZ LYS 30 1.675 -14.532 4.733 237 HA PRO 31 HA PRO 31 6.697 -9.732 2.964 238 HB2 PRO 31 2HB PRO 31 7.440 -12.474 2.028 239 HB3 PRO 31 3HB PRO 31 8.481 -11.187 2.676 240 HG2 PRO 31 2HG PRO 31 7.948 -13.346 4.140 241 HG3 PRO 31 3HG PRO 31 8.026 -11.733 4.891 242 HD2 PRO 31 2HD PRO 31 5.570 -13.310 4.090 243 HD3 PRO 31 3HD PRO 31 5.892 -12.420 5.597 244 H VAL 32 H VAL 32 5.121 -8.802 1.664 245 HA VAL 32 HA VAL 32 3.364 -10.168 -0.055 246 HB VAL 32 HB VAL 32 2.831 -7.959 -1.056 247 HG11 VAL 32 1HG1 VAL 32 3.121 -7.846 1.972 248 HG12 VAL 32 2HG1 VAL 32 1.778 -8.562 1.076 249 HG13 VAL 32 3HG1 VAL 32 2.054 -6.821 1.002 250 HG21 VAL 32 3HG2 VAL 32 3.962 -5.883 -0.317 251 HG22 VAL 32 1HG2 VAL 32 5.081 -6.949 -1.170 252 HG23 VAL 32 2HG2 VAL 32 5.140 -6.836 0.591 253 H LEU 33 H LEU 33 6.461 -8.565 -0.777 254 HA LEU 33 HA LEU 33 6.891 -10.221 -3.144 255 HB2 LEU 33 2HB LEU 33 6.687 -7.176 -3.234 256 HB3 LEU 33 3HB LEU 33 7.612 -8.068 -4.426 257 HG LEU 33 HG LEU 33 4.615 -8.403 -3.984 258 HD11 LEU 33 1HD1 LEU 33 5.169 -6.190 -4.880 259 HD12 LEU 33 2HD1 LEU 33 4.297 -7.176 -6.045 260 HD13 LEU 33 3HD1 LEU 33 6.041 -6.940 -6.213 261 HD21 LEU 33 3HD2 LEU 33 6.389 -9.482 -6.199 262 HD22 LEU 33 1HD2 LEU 33 4.639 -9.678 -6.060 263 HD23 LEU 33 2HD2 LEU 33 5.702 -10.427 -4.875 264 H GLU 34 H GLU 34 8.372 -10.981 -1.394 265 HA GLU 34 HA GLU 34 10.750 -9.392 -0.869 266 HB2 GLU 34 2HB GLU 34 11.586 -11.814 -0.048 267 HB3 GLU 34 3HB GLU 34 10.524 -10.816 0.924 268 HG2 GLU 34 2HG GLU 34 9.848 -13.182 0.933 269 HG3 GLU 34 3HG GLU 34 8.590 -12.131 0.302 270 H THR 35 H THR 35 9.686 -11.708 -3.226 271 HA THR 35 HA THR 35 12.252 -12.412 -4.293 272 HB THR 35 HB THR 35 10.366 -13.965 -4.464 273 HG1 THR 35 HG1 THR 35 11.899 -14.205 -6.082 274 HG21 THR 35 3HG2 THR 35 9.050 -11.965 -6.353 275 HG22 THR 35 1HG2 THR 35 8.497 -12.351 -4.718 276 HG23 THR 35 2HG2 THR 35 8.458 -13.585 -5.980 277 H ARG 36 H ARG 36 10.059 -9.721 -4.848 278 HA ARG 36 HA ARG 36 11.892 -8.465 -6.679 279 HB2 ARG 36 2HB ARG 36 10.407 -8.209 -8.591 280 HB3 ARG 36 3HB ARG 36 10.621 -9.920 -8.253 281 HG2 ARG 36 2HG ARG 36 8.381 -10.001 -7.198 282 HG3 ARG 36 3HG ARG 36 8.169 -8.275 -7.511 283 HD2 ARG 36 2HD ARG 36 8.384 -8.733 -9.958 284 HD3 ARG 36 3HD ARG 36 8.496 -10.458 -9.602 285 HE ARG 36 HE ARG 36 6.138 -9.616 -8.441 286 HH11 ARG 36 1HH1 ARG 36 7.421 -9.676 -11.729 287 HH12 ARG 36 2HH1 ARG 36 5.853 -9.802 -12.457 288 HH21 ARG 36 1HH2 ARG 36 4.099 -9.759 -9.454 289 HH22 ARG 36 2HH2 ARG 36 3.996 -9.848 -11.180 290 H THR 37 H THR 37 10.833 -6.327 -7.524 291 HA THR 37 HA THR 37 9.060 -5.115 -5.467 292 HB THR 37 HB THR 37 10.165 -2.921 -6.012 293 HG1 THR 37 HG1 THR 37 10.991 -3.386 -8.064 294 HG21 THR 37 3HG2 THR 37 12.139 -5.039 -5.074 295 HG22 THR 37 1HG2 THR 37 10.970 -4.204 -4.048 296 HG23 THR 37 2HG2 THR 37 12.282 -3.300 -4.807 297 H MET 38 H MET 38 7.399 -3.772 -6.257 298 HA MET 38 HA MET 38 7.007 -3.487 -9.157 299 HB2 MET 38 2HB MET 38 5.007 -4.859 -7.302 300 HB3 MET 38 3HB MET 38 4.565 -4.224 -8.882 301 HG2 MET 38 2HG MET 38 5.971 -5.828 -10.000 302 HG3 MET 38 3HG MET 38 6.690 -6.351 -8.477 303 HE1 MET 38 3HE MET 38 2.298 -7.210 -9.629 304 HE2 MET 38 1HE MET 38 3.430 -6.392 -10.709 305 HE3 MET 38 2HE MET 38 2.882 -5.596 -9.232 306 H ASP 39 H ASP 39 6.805 -1.387 -9.363 307 HA ASP 39 HA ASP 39 5.447 0.256 -7.318 308 HB2 ASP 39 2HB ASP 39 6.547 2.192 -8.254 309 HB3 ASP 39 3HB ASP 39 7.758 0.942 -8.017 310 H PHE 40 H PHE 40 3.690 1.442 -7.791 311 HA PHE 40 HA PHE 40 2.418 1.244 -10.462 312 HB2 PHE 40 2HB PHE 40 0.908 1.274 -7.808 313 HB3 PHE 40 3HB PHE 40 0.255 0.944 -9.408 314 HD1 PHE 40 HD2 PHE 40 0.983 -1.220 -10.599 315 HD2 PHE 40 HD1 PHE 40 1.731 -0.500 -6.441 316 HE1 PHE 40 HE2 PHE 40 1.344 -3.625 -10.235 317 HE2 PHE 40 HE1 PHE 40 2.094 -2.903 -6.099 318 HZ PHE 40 HZ PHE 40 1.899 -4.464 -7.988 319 HA PRO 41 HA PRO 41 2.829 5.763 -9.491 320 HB2 PRO 41 2HB PRO 41 3.063 6.607 -12.100 321 HB3 PRO 41 3HB PRO 41 4.441 5.959 -11.180 322 HG2 PRO 41 2HG PRO 41 2.693 4.545 -13.187 323 HG3 PRO 41 3HG PRO 41 4.466 4.522 -13.023 324 HD2 PRO 41 2HD PRO 41 2.905 2.511 -12.045 325 HD3 PRO 41 3HD PRO 41 4.427 2.992 -11.262 326 H THR 42 H THR 42 0.684 3.973 -11.651 327 HA THR 42 HA THR 42 -1.442 6.004 -11.339 328 HB THR 42 HB THR 42 -2.247 5.439 -13.635 329 HG1 THR 42 HG1 THR 42 0.173 4.197 -14.306 330 HG21 THR 42 3HG2 THR 42 -0.759 7.395 -13.437 331 HG22 THR 42 1HG2 THR 42 -0.490 6.558 -14.967 332 HG23 THR 42 2HG2 THR 42 0.652 6.355 -13.638 333 HA PRO 43 HA PRO 43 -3.988 2.497 -9.910 334 HB2 PRO 43 2HB PRO 43 -6.490 3.484 -10.721 335 HB3 PRO 43 3HB PRO 43 -5.661 3.931 -9.212 336 HG2 PRO 43 2HG PRO 43 -5.723 5.399 -11.833 337 HG3 PRO 43 3HG PRO 43 -5.875 6.037 -10.179 338 HD2 PRO 43 2HD PRO 43 -3.554 6.251 -11.513 339 HD3 PRO 43 3HD PRO 43 -3.564 5.904 -9.769 340 H ALA 44 H ALA 44 -4.065 3.692 -13.222 341 HA ALA 44 HA ALA 44 -5.482 1.543 -14.426 342 HB1 ALA 44 3HB ALA 44 -5.119 3.697 -15.574 343 HB2 ALA 44 1HB ALA 44 -4.531 2.350 -16.553 344 HB3 ALA 44 2HB ALA 44 -3.388 3.367 -15.669 345 H ALA 45 H ALA 45 -1.968 2.179 -14.076 346 HA ALA 45 HA ALA 45 -1.019 -0.233 -15.200 347 HB1 ALA 45 3HB ALA 45 0.351 1.623 -13.222 348 HB2 ALA 45 1HB ALA 45 0.361 1.795 -14.981 349 HB3 ALA 45 2HB ALA 45 1.152 0.410 -14.224 350 H ALA 46 H ALA 46 -2.383 0.402 -12.136 351 HA ALA 46 HA ALA 46 -1.131 -1.609 -10.567 352 HB1 ALA 46 3HB ALA 46 -2.132 0.403 -9.601 353 HB2 ALA 46 1HB ALA 46 -2.869 -1.051 -8.920 354 HB3 ALA 46 2HB ALA 46 -3.731 -0.115 -10.141 355 H PHE 47 H PHE 47 -3.085 -2.146 -13.176 356 HA PHE 47 HA PHE 47 -4.949 -4.072 -12.409 357 HB2 PHE 47 2HB PHE 47 -4.974 -4.848 -14.725 358 HB3 PHE 47 3HB PHE 47 -4.887 -3.097 -14.675 359 HD1 PHE 47 HD2 PHE 47 -3.020 -6.188 -15.541 360 HD2 PHE 47 HD1 PHE 47 -2.927 -1.916 -15.576 361 HE1 PHE 47 HE2 PHE 47 -1.122 -6.232 -17.093 362 HE2 PHE 47 HE1 PHE 47 -1.036 -1.970 -17.135 363 HZ PHE 47 HZ PHE 47 -0.125 -4.129 -17.895 364 H ARG 48 H ARG 48 -1.523 -4.372 -12.469 365 HA ARG 48 HA ARG 48 -1.099 -7.134 -12.783 366 HB2 ARG 48 2HB ARG 48 0.475 -5.157 -11.080 367 HB3 ARG 48 3HB ARG 48 1.057 -6.732 -11.618 368 HG2 ARG 48 2HG ARG 48 0.318 -4.454 -13.481 369 HG3 ARG 48 3HG ARG 48 1.953 -4.772 -12.897 370 HD2 ARG 48 2HD ARG 48 1.942 -6.971 -14.013 371 HD3 ARG 48 3HD ARG 48 0.280 -6.697 -14.564 372 HE ARG 48 HE ARG 48 1.639 -4.526 -15.492 373 HH11 ARG 48 1HH1 ARG 48 2.193 -7.973 -15.891 374 HH12 ARG 48 2HH1 ARG 48 2.913 -7.782 -17.450 375 HH21 ARG 48 1HH2 ARG 48 2.579 -4.304 -17.512 376 HH22 ARG 48 2HH2 ARG 48 3.136 -5.698 -18.375 377 H SER 49 H SER 49 -2.118 -5.242 -9.987 378 HA SER 49 HA SER 49 -2.251 -7.636 -8.270 379 HB2 SER 49 2HB SER 49 -0.992 -4.969 -7.473 380 HB3 SER 49 3HB SER 49 -1.198 -6.364 -6.411 381 HG SER 49 HG SER 49 0.099 -7.435 -8.244 382 HA PRO 50 HA PRO 50 -6.355 -5.761 -7.691 383 HB2 PRO 50 2HB PRO 50 -6.615 -7.650 -5.378 384 HB3 PRO 50 3HB PRO 50 -7.634 -7.496 -6.823 385 HG2 PRO 50 2HG PRO 50 -5.985 -9.582 -6.517 386 HG3 PRO 50 3HG PRO 50 -6.268 -8.846 -8.110 387 HD2 PRO 50 2HD PRO 50 -3.890 -8.508 -6.286 388 HD3 PRO 50 3HD PRO 50 -3.940 -8.703 -8.054 389 H LEU 51 H LEU 51 -4.135 -6.355 -4.959 390 HA LEU 51 HA LEU 51 -5.487 -4.724 -3.050 391 HB2 LEU 51 2HB LEU 51 -3.963 -6.565 -2.395 392 HB3 LEU 51 3HB LEU 51 -2.604 -5.701 -3.088 393 HG LEU 51 HG LEU 51 -2.794 -3.940 -1.358 394 HD11 LEU 51 1HD1 LEU 51 -5.205 -3.947 -1.013 395 HD12 LEU 51 2HD1 LEU 51 -4.358 -4.133 0.519 396 HD13 LEU 51 3HD1 LEU 51 -5.115 -5.534 -0.243 397 HD21 LEU 51 3HD2 LEU 51 -2.766 -6.719 -0.141 398 HD22 LEU 51 1HD2 LEU 51 -2.132 -5.248 0.607 399 HD23 LEU 51 2HD2 LEU 51 -1.388 -5.879 -0.861 400 H ALA 52 H ALA 52 -3.087 -4.123 -5.536 401 HA ALA 52 HA ALA 52 -2.088 -1.622 -4.702 402 HB1 ALA 52 3HB ALA 52 -1.065 -2.958 -6.501 403 HB2 ALA 52 1HB ALA 52 -1.431 -1.321 -7.057 404 HB3 ALA 52 2HB ALA 52 -2.471 -2.668 -7.529 405 H ARG 53 H ARG 53 -4.782 -2.435 -6.917 406 HA ARG 53 HA ARG 53 -5.737 0.226 -7.271 407 HB2 ARG 53 2HB ARG 53 -6.990 -2.490 -7.825 408 HB3 ARG 53 3HB ARG 53 -7.879 -0.993 -8.107 409 HG2 ARG 53 2HG ARG 53 -6.077 -0.261 -9.665 410 HG3 ARG 53 3HG ARG 53 -5.282 -1.820 -9.438 411 HD2 ARG 53 2HD ARG 53 -7.082 -2.986 -10.517 412 HD3 ARG 53 3HD ARG 53 -8.120 -1.553 -10.488 413 HE ARG 53 HE ARG 53 -5.792 -0.916 -11.913 414 HH11 ARG 53 1HH1 ARG 53 -8.604 -2.994 -12.348 415 HH12 ARG 53 2HH1 ARG 53 -8.544 -2.895 -14.075 416 HH21 ARG 53 1HH2 ARG 53 -5.761 -0.776 -14.170 417 HH22 ARG 53 2HH2 ARG 53 -6.936 -1.640 -15.105 418 H GLN 54 H GLN 54 -6.375 -2.225 -4.855 419 HA GLN 54 HA GLN 54 -8.734 -1.047 -3.731 420 HB2 GLN 54 2HB GLN 54 -6.757 -3.084 -2.628 421 HB3 GLN 54 3HB GLN 54 -8.225 -2.604 -1.783 422 HG2 GLN 54 2HG GLN 54 -9.607 -3.511 -3.566 423 HG3 GLN 54 3HG GLN 54 -8.178 -3.887 -4.529 424 HE21 GLN 54 1HE2 GLN 54 -8.673 -6.090 -4.626 425 HE22 GLN 54 2HE2 GLN 54 -8.540 -7.141 -3.261 426 H LEU 55 H LEU 55 -5.282 -0.712 -3.125 427 HA LEU 55 HA LEU 55 -5.566 1.194 -0.969 428 HB2 LEU 55 2HB LEU 55 -3.168 0.433 -2.679 429 HB3 LEU 55 3HB LEU 55 -3.082 1.544 -1.316 430 HG LEU 55 HG LEU 55 -3.919 -1.382 -1.115 431 HD11 LEU 55 1HD1 LEU 55 -1.275 -0.138 -0.327 432 HD12 LEU 55 2HD1 LEU 55 -1.557 -1.198 -1.711 433 HD13 LEU 55 3HD1 LEU 55 -1.768 -1.819 -0.077 434 HD21 LEU 55 3HD2 LEU 55 -3.368 0.635 1.090 435 HD22 LEU 55 1HD2 LEU 55 -3.722 -1.082 1.311 436 HD23 LEU 55 2HD2 LEU 55 -4.947 -0.017 0.633 437 H PHE 56 H PHE 56 -5.365 1.383 -4.489 438 HA PHE 56 HA PHE 56 -5.234 4.259 -4.624 439 HB2 PHE 56 2HB PHE 56 -5.809 2.096 -6.661 440 HB3 PHE 56 3HB PHE 56 -6.139 3.772 -7.067 441 HD1 PHE 56 HD1 PHE 56 -4.123 5.451 -6.567 442 HD2 PHE 56 HD2 PHE 56 -3.685 1.250 -7.251 443 HE1 PHE 56 HE1 PHE 56 -1.805 5.799 -7.283 444 HE2 PHE 56 HE2 PHE 56 -1.364 1.613 -7.949 445 HZ PHE 56 HZ PHE 56 -0.423 3.885 -7.972 446 H ARG 57 H ARG 57 -7.757 2.101 -3.774 447 HA ARG 57 HA ARG 57 -10.017 3.662 -4.526 448 HB2 ARG 57 2HB ARG 57 -9.629 1.744 -2.196 449 HB3 ARG 57 3HB ARG 57 -11.166 2.533 -2.549 450 HG2 ARG 57 2HG ARG 57 -11.199 1.425 -4.769 451 HG3 ARG 57 3HG ARG 57 -9.700 0.584 -4.355 452 HD2 ARG 57 2HD ARG 57 -11.728 -0.825 -3.989 453 HD3 ARG 57 3HD ARG 57 -10.812 -0.558 -2.498 454 HE ARG 57 HE ARG 57 -13.058 1.243 -3.076 455 HH11 ARG 57 1HH1 ARG 57 -11.905 -1.475 -1.157 456 HH12 ARG 57 2HH1 ARG 57 -13.158 -1.315 0.024 457 HH21 ARG 57 1HH2 ARG 57 -14.638 1.474 -1.481 458 HH22 ARG 57 2HH2 ARG 57 -14.707 0.355 -0.156 459 H ILE 58 H ILE 58 -7.523 4.177 -2.206 460 HA ILE 58 HA ILE 58 -9.044 5.887 -0.397 461 HB ILE 58 HB ILE 58 -6.055 5.244 -0.526 462 HG12 ILE 58 2HG1 ILE 58 -8.132 4.006 1.340 463 HG13 ILE 58 3HG1 ILE 58 -7.582 3.242 -0.144 464 HG21 ILE 58 1HG2 ILE 58 -5.915 6.086 1.784 465 HG22 ILE 58 2HG2 ILE 58 -7.634 6.486 1.763 466 HG23 ILE 58 3HG2 ILE 58 -6.515 7.344 0.701 467 HD11 ILE 58 3HD1 ILE 58 -6.481 2.297 1.776 468 HD12 ILE 58 1HD1 ILE 58 -5.871 3.880 2.253 469 HD13 ILE 58 2HD1 ILE 58 -5.310 3.129 0.755 470 H GLU 59 H GLU 59 -9.321 7.987 -0.885 471 HA GLU 59 HA GLU 59 -8.168 9.134 -3.275 472 HB2 GLU 59 2HB GLU 59 -10.167 10.246 -1.267 473 HB3 GLU 59 3HB GLU 59 -9.748 11.019 -2.796 474 HG2 GLU 59 2HG GLU 59 -10.665 9.141 -4.051 475 HG3 GLU 59 3HG GLU 59 -10.979 8.252 -2.560 476 H GLY 60 H GLY 60 -6.936 8.886 -0.304 477 HA2 GLY 60 2HA GLY 60 -5.528 11.470 -0.267 478 HA3 GLY 60 3HA GLY 60 -5.480 10.220 0.968 479 H VAL 61 H VAL 61 -5.164 8.406 -1.650 480 HA VAL 61 HA VAL 61 -2.239 8.253 -1.368 481 HB VAL 61 HB VAL 61 -4.270 6.287 -2.523 482 HG11 VAL 61 1HG1 VAL 61 -1.252 5.928 -2.333 483 HG12 VAL 61 2HG1 VAL 61 -2.191 6.051 -3.823 484 HG13 VAL 61 3HG1 VAL 61 -2.403 4.657 -2.761 485 HG21 VAL 61 3HG2 VAL 61 -4.251 6.445 -0.054 486 HG22 VAL 61 1HG2 VAL 61 -2.515 6.118 -0.039 487 HG23 VAL 61 2HG2 VAL 61 -3.645 4.877 -0.590 488 H LYS 62 H LYS 62 -0.950 9.019 -2.849 489 HA LYS 62 HA LYS 62 -1.736 9.994 -5.447 490 HB2 LYS 62 2HB LYS 62 0.016 11.074 -3.999 491 HB3 LYS 62 3HB LYS 62 1.037 9.668 -4.209 492 HG2 LYS 62 2HG LYS 62 1.787 11.489 -5.641 493 HG3 LYS 62 3HG LYS 62 1.218 10.135 -6.623 494 HD2 LYS 62 2HD LYS 62 -0.901 11.306 -7.058 495 HD3 LYS 62 3HD LYS 62 -0.417 12.629 -5.991 496 HE2 LYS 62 2HE LYS 62 -0.129 13.173 -8.408 497 HE3 LYS 62 3HE LYS 62 1.385 13.256 -7.509 498 HZ1 LYS 62 3HZ LYS 62 0.541 10.940 -9.164 499 HZ2 LYS 62 1HZ LYS 62 2.033 11.136 -8.398 500 HZ3 LYS 62 2HZ LYS 62 1.599 12.150 -9.679 501 H SER 63 H SER 63 0.326 7.381 -4.183 502 HA SER 63 HA SER 63 0.047 5.715 -6.510 503 HB2 SER 63 2HB SER 63 2.556 5.681 -6.977 504 HB3 SER 63 3HB SER 63 1.743 7.180 -7.436 505 HG SER 63 HG SER 63 2.899 8.222 -6.031 506 H VAL 64 H VAL 64 1.059 3.629 -6.188 507 HA VAL 64 HA VAL 64 1.537 2.972 -3.321 508 HB VAL 64 HB VAL 64 0.094 1.249 -5.404 509 HG11 VAL 64 1HG1 VAL 64 -0.408 -0.288 -3.518 510 HG12 VAL 64 2HG1 VAL 64 0.581 0.709 -2.447 511 HG13 VAL 64 3HG1 VAL 64 1.330 -0.144 -3.799 512 HG21 VAL 64 3HG2 VAL 64 -1.949 1.604 -4.056 513 HG22 VAL 64 1HG2 VAL 64 -1.322 3.132 -4.684 514 HG23 VAL 64 2HG2 VAL 64 -1.063 2.700 -2.990 515 H PHE 65 H PHE 65 3.308 1.724 -2.915 516 HA PHE 65 HA PHE 65 4.747 0.424 -5.151 517 HB2 PHE 65 2HB PHE 65 6.081 2.375 -4.503 518 HB3 PHE 65 3HB PHE 65 5.942 1.965 -2.801 519 HD1 PHE 65 HD2 PHE 65 7.201 0.452 -6.007 520 HD2 PHE 65 HD1 PHE 65 7.798 0.889 -1.794 521 HE1 PHE 65 HE2 PHE 65 9.294 -0.827 -6.167 522 HE2 PHE 65 HE1 PHE 65 9.889 -0.392 -1.964 523 HZ PHE 65 HZ PHE 65 10.638 -1.255 -4.146 524 H PHE 66 H PHE 66 4.691 -1.705 -4.858 525 HA PHE 66 HA PHE 66 4.580 -2.908 -2.184 526 HB2 PHE 66 2HB PHE 66 4.392 -4.090 -4.981 527 HB3 PHE 66 3HB PHE 66 4.489 -5.081 -3.534 528 HD1 PHE 66 HD2 PHE 66 2.462 -2.310 -2.646 529 HD2 PHE 66 HD1 PHE 66 2.383 -5.913 -4.957 530 HE1 PHE 66 HE2 PHE 66 0.013 -2.369 -2.494 531 HE2 PHE 66 HE1 PHE 66 -0.067 -5.950 -4.789 532 HZ PHE 66 HZ PHE 66 -1.251 -4.183 -3.561 533 H GLY 67 H GLY 67 6.408 -3.382 -1.206 534 HA2 GLY 67 2HA GLY 67 8.951 -3.710 -2.712 535 HA3 GLY 67 3HA GLY 67 8.830 -2.847 -1.183 536 HA PRO 68 HA PRO 68 9.946 -7.425 -0.442 537 HB2 PRO 68 2HB PRO 68 12.278 -6.863 0.995 538 HB3 PRO 68 3HB PRO 68 12.234 -7.240 -0.743 539 HG2 PRO 68 2HG PRO 68 12.365 -4.548 0.598 540 HG3 PRO 68 3HG PRO 68 13.244 -5.138 -0.832 541 HD2 PRO 68 2HD PRO 68 11.090 -3.543 -1.102 542 HD3 PRO 68 3HD PRO 68 11.405 -4.857 -2.258 543 H ASP 69 H ASP 69 8.575 -8.017 1.083 544 HA ASP 69 HA ASP 69 7.701 -8.509 3.082 545 HB2 ASP 69 2HB ASP 69 10.074 -6.992 4.215 546 HB3 ASP 69 3HB ASP 69 8.939 -7.910 5.207 547 H SER 70 H SER 70 7.256 -5.687 1.738 548 HA SER 70 HA SER 70 5.431 -4.637 3.713 549 HB2 SER 70 2HB SER 70 6.623 -2.423 3.943 550 HB3 SER 70 3HB SER 70 7.515 -3.772 4.651 551 HG SER 70 HG SER 70 8.464 -3.796 2.345 552 H ILE 71 H ILE 71 4.452 -2.586 2.992 553 HA ILE 71 HA ILE 71 4.446 -2.120 0.074 554 HB ILE 71 HB ILE 71 2.055 -2.076 1.986 555 HG12 ILE 71 2HG1 ILE 71 2.574 -3.918 -0.400 556 HG13 ILE 71 3HG1 ILE 71 2.800 -4.375 1.286 557 HG21 ILE 71 1HG2 ILE 71 2.146 -1.400 -0.976 558 HG22 ILE 71 2HG2 ILE 71 1.856 -0.271 0.348 559 HG23 ILE 71 3HG2 ILE 71 0.675 -1.531 -0.007 560 HD11 ILE 71 3HD1 ILE 71 0.182 -3.649 -0.029 561 HD12 ILE 71 1HD1 ILE 71 0.397 -4.046 1.678 562 HD13 ILE 71 2HD1 ILE 71 0.730 -5.257 0.444 563 H THR 72 H THR 72 5.464 -0.151 -0.115 564 HA THR 72 HA THR 72 5.163 1.886 1.974 565 HB THR 72 HB THR 72 6.892 1.893 -0.549 566 HG1 THR 72 HG1 THR 72 7.226 0.347 1.442 567 HG21 THR 72 3HG2 THR 72 6.991 3.687 1.918 568 HG22 THR 72 1HG2 THR 72 6.443 4.180 0.310 569 HG23 THR 72 2HG2 THR 72 8.130 3.733 0.572 570 H VAL 73 H VAL 73 3.452 3.202 1.748 571 HA VAL 73 HA VAL 73 2.121 3.529 -0.868 572 HB VAL 73 HB VAL 73 1.082 4.139 1.953 573 HG11 VAL 73 1HG1 VAL 73 -1.136 4.417 0.895 574 HG12 VAL 73 2HG1 VAL 73 -0.416 4.157 -0.697 575 HG13 VAL 73 3HG1 VAL 73 0.029 5.577 0.251 576 HG21 VAL 73 3HG2 VAL 73 -0.376 2.157 1.699 577 HG22 VAL 73 1HG2 VAL 73 1.328 1.699 1.612 578 HG23 VAL 73 2HG2 VAL 73 0.362 1.798 0.135 579 H THR 74 H THR 74 1.890 5.622 -1.694 580 HA THR 74 HA THR 74 3.254 7.835 -0.266 581 HB THR 74 HB THR 74 2.814 7.510 -3.271 582 HG1 THR 74 HG1 THR 74 4.382 6.086 -2.828 583 HG21 THR 74 3HG2 THR 74 4.513 9.543 -1.755 584 HG22 THR 74 1HG2 THR 74 2.981 9.895 -2.566 585 HG23 THR 74 2HG2 THR 74 4.388 9.401 -3.510 586 H LYS 75 H LYS 75 1.971 9.503 0.332 587 HA LYS 75 HA LYS 75 -0.835 9.631 -0.516 588 HB2 LYS 75 2HB LYS 75 -1.101 11.316 1.254 589 HB3 LYS 75 3HB LYS 75 -0.323 9.871 1.896 590 HG2 LYS 75 2HG LYS 75 1.881 11.012 1.778 591 HG3 LYS 75 3HG LYS 75 1.081 12.463 1.156 592 HD2 LYS 75 2HD LYS 75 -0.244 12.598 3.270 593 HD3 LYS 75 3HD LYS 75 0.640 11.193 3.886 594 HE2 LYS 75 2HE LYS 75 1.890 13.852 3.118 595 HE3 LYS 75 3HE LYS 75 1.536 13.333 4.757 596 HZ1 LYS 75 3HZ LYS 75 3.123 11.625 4.596 597 HZ2 LYS 75 1HZ LYS 75 3.865 13.034 4.043 598 HZ3 LYS 75 2HZ LYS 75 3.347 11.865 2.938 599 H GLU 76 H GLU 76 -1.724 11.795 -1.120 600 HA GLU 76 HA GLU 76 -0.403 12.705 -3.461 601 HB2 GLU 76 2HB GLU 76 -2.806 13.961 -2.083 602 HB3 GLU 76 3HB GLU 76 -2.302 14.225 -3.754 603 HG2 GLU 76 2HG GLU 76 -2.713 11.783 -4.185 604 HG3 GLU 76 3HG GLU 76 -3.361 11.650 -2.550 605 H ASN 77 H ASN 77 -1.367 14.559 -0.561 606 HA ASN 77 HA ASN 77 0.824 16.479 -1.086 607 HB2 ASN 77 2HB ASN 77 -0.704 18.282 -0.276 608 HB3 ASN 77 3HB ASN 77 -1.288 17.512 -1.745 609 HD21 ASN 77 1HD2 ASN 77 -1.858 17.978 1.644 610 HD22 ASN 77 2HD2 ASN 77 -3.444 17.305 1.680 611 H GLU 78 H GLU 78 1.425 17.728 0.844 612 HA GLU 78 HA GLU 78 2.270 15.874 2.870 613 HB2 GLU 78 2HB GLU 78 2.686 18.886 2.648 614 HB3 GLU 78 3HB GLU 78 3.606 17.799 3.692 615 HG2 GLU 78 2HG GLU 78 4.676 16.753 1.821 616 HG3 GLU 78 3HG GLU 78 3.554 17.486 0.673 617 H GLU 79 H GLU 79 -0.344 18.024 2.581 618 HA GLU 79 HA GLU 79 -0.715 18.729 5.361 619 HB2 GLU 79 2HB GLU 79 -2.532 19.098 2.940 620 HB3 GLU 79 3HB GLU 79 -2.877 19.735 4.538 621 HG2 GLU 79 2HG GLU 79 -2.018 21.490 3.064 622 HG3 GLU 79 3HG GLU 79 -0.931 21.204 4.423 623 H LEU 80 H LEU 80 -1.521 16.059 3.354 624 HA LEU 80 HA LEU 80 -3.705 15.013 4.900 625 HB2 LEU 80 2HB LEU 80 -1.741 13.630 3.032 626 HB3 LEU 80 3HB LEU 80 -3.178 12.879 3.717 627 HG LEU 80 HG LEU 80 -3.235 15.266 1.839 628 HD11 LEU 80 1HD1 LEU 80 -2.329 13.321 0.689 629 HD12 LEU 80 2HD1 LEU 80 -3.945 13.706 0.100 630 HD13 LEU 80 3HD1 LEU 80 -3.712 12.349 1.209 631 HD21 LEU 80 3HD2 LEU 80 -5.479 13.464 2.816 632 HD22 LEU 80 1HD2 LEU 80 -5.634 14.752 1.615 633 HD23 LEU 80 2HD2 LEU 80 -5.213 15.150 3.278 634 H ASP 81 H ASP 81 -3.425 14.326 6.884 635 HA ASP 81 HA ASP 81 -0.855 13.540 7.986 636 HB2 ASP 81 2HB ASP 81 -2.347 14.748 9.460 637 HB3 ASP 81 3HB ASP 81 -3.658 13.609 9.172 638 H TRP 82 H TRP 82 -0.068 11.492 8.084 639 HA TRP 82 HA TRP 82 -1.171 9.432 6.556 640 HB2 TRP 82 2HB TRP 82 1.179 9.645 8.401 641 HB3 TRP 82 3HB TRP 82 0.639 8.020 8.012 642 HD1 TRP 82 HD1 TRP 82 3.027 10.493 6.742 643 HE1 TRP 82 HE1 TRP 82 3.718 9.942 4.331 644 HE3 TRP 82 HE3 TRP 82 -0.716 7.197 5.541 645 HZ2 TRP 82 HZ2 TRP 82 2.773 8.384 2.187 646 HZ3 TRP 82 HZ3 TRP 82 -0.746 6.242 3.274 647 HH2 TRP 82 HH2 TRP 82 0.962 6.823 1.638 648 H ASN 83 H ASN 83 -1.565 10.072 10.023 649 HA ASN 83 HA ASN 83 -2.513 7.484 10.763 650 HB2 ASN 83 2HB ASN 83 -3.138 10.123 12.140 651 HB3 ASN 83 3HB ASN 83 -3.361 8.513 12.825 652 HD21 ASN 83 1HD2 ASN 83 -1.057 10.978 11.978 653 HD22 ASN 83 2HD2 ASN 83 0.283 10.293 12.838 654 H LEU 84 H LEU 84 -3.980 10.088 9.050 655 HA LEU 84 HA LEU 84 -6.749 9.375 9.524 656 HB2 LEU 84 2HB LEU 84 -5.496 11.062 7.318 657 HB3 LEU 84 3HB LEU 84 -7.221 10.928 7.638 658 HG LEU 84 HG LEU 84 -5.165 12.177 9.506 659 HD11 LEU 84 1HD1 LEU 84 -6.224 14.315 8.954 660 HD12 LEU 84 2HD1 LEU 84 -7.275 13.510 7.784 661 HD13 LEU 84 3HD1 LEU 84 -5.526 13.550 7.528 662 HD21 LEU 84 3HD2 LEU 84 -8.186 12.006 9.791 663 HD22 LEU 84 1HD2 LEU 84 -7.099 12.925 10.839 664 HD23 LEU 84 2HD2 LEU 84 -6.987 11.170 10.782 665 H LEU 85 H LEU 85 -4.274 8.796 7.018 666 HA LEU 85 HA LEU 85 -5.945 7.203 5.312 667 HB2 LEU 85 2HB LEU 85 -2.931 7.594 5.386 668 HB3 LEU 85 3HB LEU 85 -3.739 6.577 4.205 669 HG LEU 85 HG LEU 85 -5.076 8.749 3.592 670 HD11 LEU 85 1HD1 LEU 85 -3.896 10.861 3.896 671 HD12 LEU 85 2HD1 LEU 85 -2.693 10.049 4.907 672 HD13 LEU 85 3HD1 LEU 85 -4.373 10.152 5.439 673 HD21 LEU 85 3HD2 LEU 85 -2.156 8.455 2.816 674 HD22 LEU 85 1HD2 LEU 85 -3.360 9.415 1.945 675 HD23 LEU 85 2HD2 LEU 85 -3.537 7.666 2.046 676 H LYS 86 H LYS 86 -3.904 6.470 8.103 677 HA LYS 86 HA LYS 86 -3.178 3.870 7.562 678 HB2 LYS 86 2HB LYS 86 -3.628 5.238 10.211 679 HB3 LYS 86 3HB LYS 86 -3.094 3.560 10.134 680 HG2 LYS 86 2HG LYS 86 -1.073 4.209 8.933 681 HG3 LYS 86 3HG LYS 86 -1.618 5.887 8.864 682 HD2 LYS 86 2HD LYS 86 -1.578 5.887 11.424 683 HD3 LYS 86 3HD LYS 86 -0.779 4.313 11.331 684 HE2 LYS 86 2HE LYS 86 1.110 5.302 10.152 685 HE3 LYS 86 3HE LYS 86 0.287 6.860 10.058 686 HZ1 LYS 86 3HZ LYS 86 0.379 6.984 12.483 687 HZ2 LYS 86 1HZ LYS 86 1.924 6.867 11.805 688 HZ3 LYS 86 2HZ LYS 86 1.218 5.520 12.542 689 HA PRO 87 HA PRO 87 -7.117 1.983 9.749 690 HB2 PRO 87 2HB PRO 87 -9.458 3.493 9.713 691 HB3 PRO 87 3HB PRO 87 -8.341 3.431 11.097 692 HG2 PRO 87 2HG PRO 87 -8.528 5.497 8.919 693 HG3 PRO 87 3HG PRO 87 -8.346 5.727 10.677 694 HD2 PRO 87 2HD PRO 87 -6.219 5.931 9.050 695 HD3 PRO 87 3HD PRO 87 -6.064 5.197 10.653 696 H ASP 88 H ASP 88 -7.438 4.170 6.985 697 HA ASP 88 HA ASP 88 -9.256 2.611 5.427 698 HB2 ASP 88 2HB ASP 88 -7.197 4.722 4.641 699 HB3 ASP 88 3HB ASP 88 -8.355 4.035 3.509 700 H ILE 89 H ILE 89 -5.712 2.957 5.355 701 HA ILE 89 HA ILE 89 -5.115 1.054 3.355 702 HB ILE 89 HB ILE 89 -3.375 2.192 5.590 703 HG12 ILE 89 2HG1 ILE 89 -3.533 2.909 2.621 704 HG13 ILE 89 3HG1 ILE 89 -4.251 3.839 3.929 705 HG21 ILE 89 1HG2 ILE 89 -2.378 0.060 4.861 706 HG22 ILE 89 2HG2 ILE 89 -1.381 1.418 4.341 707 HG23 ILE 89 3HG2 ILE 89 -2.424 0.593 3.177 708 HD11 ILE 89 3HD1 ILE 89 -2.013 4.311 4.802 709 HD12 ILE 89 1HD1 ILE 89 -2.232 4.871 3.145 710 HD13 ILE 89 2HD1 ILE 89 -1.308 3.403 3.460 711 H TYR 90 H TYR 90 -5.433 0.771 6.849 712 HA TYR 90 HA TYR 90 -4.521 -1.896 7.140 713 HB2 TYR 90 2HB TYR 90 -6.055 -0.022 8.953 714 HB3 TYR 90 3HB TYR 90 -5.885 -1.719 9.389 715 HD1 TYR 90 HD2 TYR 90 -3.364 0.671 7.882 716 HD2 TYR 90 HD1 TYR 90 -4.428 -1.766 11.226 717 HE1 TYR 90 HE2 TYR 90 -1.210 1.183 8.932 718 HE2 TYR 90 HE1 TYR 90 -2.272 -1.258 12.281 719 HH TYR 90 HH TYR 90 -0.004 -0.529 11.608 720 H ALA 91 H ALA 91 -7.808 -0.440 7.030 721 HA ALA 91 HA ALA 91 -9.355 -2.730 7.306 722 HB1 ALA 91 3HB ALA 91 -11.176 -1.468 6.216 723 HB2 ALA 91 1HB ALA 91 -10.011 -0.286 5.617 724 HB3 ALA 91 2HB ALA 91 -10.292 -0.447 7.353 725 H THR 92 H THR 92 -8.114 -1.241 4.354 726 HA THR 92 HA THR 92 -9.042 -3.002 2.403 727 HB THR 92 HB THR 92 -6.524 -1.282 2.460 728 HG1 THR 92 HG1 THR 92 -7.900 0.290 2.206 729 HG21 THR 92 3HG2 THR 92 -6.627 -1.335 0.002 730 HG22 THR 92 1HG2 THR 92 -7.984 -2.463 0.073 731 HG23 THR 92 2HG2 THR 92 -6.391 -2.959 0.650 732 H ILE 93 H ILE 93 -5.785 -2.959 3.942 733 HA ILE 93 HA ILE 93 -4.788 -5.227 2.528 734 HB ILE 93 HB ILE 93 -3.713 -3.720 4.946 735 HG12 ILE 93 2HG1 ILE 93 -2.808 -3.822 2.028 736 HG13 ILE 93 3HG1 ILE 93 -3.641 -2.485 2.809 737 HG21 ILE 93 1HG2 ILE 93 -1.577 -4.943 4.738 738 HG22 ILE 93 2HG2 ILE 93 -2.283 -5.976 3.493 739 HG23 ILE 93 3HG2 ILE 93 -2.897 -6.036 5.144 740 HD11 ILE 93 3HD1 ILE 93 -1.676 -2.139 4.261 741 HD12 ILE 93 1HD1 ILE 93 -1.300 -1.987 2.544 742 HD13 ILE 93 2HD1 ILE 93 -0.843 -3.448 3.415 743 H MET 94 H MET 94 -5.835 -4.866 5.935 744 HA MET 94 HA MET 94 -5.489 -7.454 6.845 745 HB2 MET 94 2HB MET 94 -7.690 -5.513 7.672 746 HB3 MET 94 3HB MET 94 -7.277 -6.982 8.549 747 HG2 MET 94 2HG MET 94 -4.999 -6.035 8.949 748 HG3 MET 94 3HG MET 94 -5.530 -4.534 8.190 749 HE1 MET 94 3HE MET 94 -8.429 -3.493 10.769 750 HE2 MET 94 1HE MET 94 -8.685 -4.571 9.396 751 HE3 MET 94 2HE MET 94 -7.704 -3.119 9.208 752 H ASP 95 H ASP 95 -8.456 -6.020 5.376 753 HA ASP 95 HA ASP 95 -10.034 -8.348 5.338 754 HB2 ASP 95 2HB ASP 95 -11.010 -6.140 5.004 755 HB3 ASP 95 3HB ASP 95 -10.098 -5.916 3.514 756 H PHE 96 H PHE 96 -7.746 -7.125 2.942 757 HA PHE 96 HA PHE 96 -8.339 -8.775 0.757 758 HB2 PHE 96 2HB PHE 96 -6.925 -6.748 0.628 759 HB3 PHE 96 3HB PHE 96 -5.683 -7.530 1.593 760 HD1 PHE 96 HD2 PHE 96 -7.378 -7.533 -1.711 761 HD2 PHE 96 HD1 PHE 96 -4.062 -9.016 0.565 762 HE1 PHE 96 HE2 PHE 96 -6.314 -8.342 -3.766 763 HE2 PHE 96 HE1 PHE 96 -3.013 -9.811 -1.505 764 HZ PHE 96 HZ PHE 96 -4.132 -9.473 -3.669 765 H PHE 97 H PHE 97 -5.883 -9.188 3.304 766 HA PHE 97 HA PHE 97 -5.061 -11.819 2.445 767 HB2 PHE 97 2HB PHE 97 -4.390 -10.183 4.924 768 HB3 PHE 97 3HB PHE 97 -3.723 -11.788 4.633 769 HD1 PHE 97 HD2 PHE 97 -2.284 -12.172 2.575 770 HD2 PHE 97 HD1 PHE 97 -3.409 -8.252 3.845 771 HE1 PHE 97 HE2 PHE 97 -0.477 -11.202 1.222 772 HE2 PHE 97 HE1 PHE 97 -1.606 -7.297 2.481 773 HZ PHE 97 HZ PHE 97 -0.137 -8.767 1.173 774 H ALA 98 H ALA 98 -7.350 -10.552 4.801 775 HA ALA 98 HA ALA 98 -7.924 -12.868 6.290 776 HB1 ALA 98 3HB ALA 98 -9.804 -10.605 5.537 777 HB2 ALA 98 1HB ALA 98 -8.708 -10.610 6.920 778 HB3 ALA 98 2HB ALA 98 -10.048 -11.753 6.854 779 H SER 99 H SER 99 -9.241 -11.673 3.239 780 HA SER 99 HA SER 99 -11.084 -13.848 2.843 781 HB2 SER 99 2HB SER 99 -10.076 -11.725 0.905 782 HB3 SER 99 3HB SER 99 -11.443 -12.808 0.621 783 HG SER 99 HG SER 99 -11.205 -10.734 2.535 784 H GLY 100 H GLY 100 -7.738 -13.221 2.126 785 HA2 GLY 100 2HA GLY 100 -6.081 -14.664 1.425 786 HA3 GLY 100 3HA GLY 100 -7.291 -15.918 1.169 787 H LEU 101 H LEU 101 -7.263 -12.658 -0.187 788 HA LEU 101 HA LEU 101 -7.637 -13.583 -2.890 789 HB2 LEU 101 2HB LEU 101 -7.142 -10.792 -1.771 790 HB3 LEU 101 3HB LEU 101 -7.611 -11.135 -3.431 791 HG LEU 101 HG LEU 101 -9.323 -11.668 -0.963 792 HD11 LEU 101 1HD1 LEU 101 -9.112 -9.281 -1.382 793 HD12 LEU 101 2HD1 LEU 101 -10.742 -9.833 -1.760 794 HD13 LEU 101 3HD1 LEU 101 -9.599 -9.503 -3.067 795 HD21 LEU 101 3HD2 LEU 101 -10.008 -12.010 -3.904 796 HD22 LEU 101 1HD2 LEU 101 -11.143 -12.159 -2.555 797 HD23 LEU 101 2HD2 LEU 101 -9.810 -13.298 -2.712 798 HA PRO 102 HA PRO 102 -3.283 -13.933 -3.934 799 HB2 PRO 102 2HB PRO 102 -3.353 -13.556 -6.680 800 HB3 PRO 102 3HB PRO 102 -3.880 -15.055 -5.881 801 HG2 PRO 102 2HG PRO 102 -5.549 -12.770 -6.890 802 HG3 PRO 102 3HG PRO 102 -5.846 -14.519 -7.012 803 HD2 PRO 102 2HD PRO 102 -7.094 -12.963 -5.161 804 HD3 PRO 102 3HD PRO 102 -6.692 -14.663 -4.845 805 H LEU 103 H LEU 103 -1.723 -12.503 -3.566 806 HA LEU 103 HA LEU 103 -2.002 -9.757 -3.360 807 HB2 LEU 103 2HB LEU 103 -0.292 -11.339 -2.257 808 HB3 LEU 103 3HB LEU 103 0.652 -11.219 -3.724 809 HG LEU 103 HG LEU 103 1.423 -9.787 -1.756 810 HD11 LEU 103 1HD1 LEU 103 2.215 -9.292 -4.014 811 HD12 LEU 103 2HD1 LEU 103 2.043 -7.835 -3.040 812 HD13 LEU 103 3HD1 LEU 103 0.833 -8.219 -4.269 813 HD21 LEU 103 3HD2 LEU 103 0.274 -7.714 -1.247 814 HD22 LEU 103 1HD2 LEU 103 -0.792 -9.087 -0.964 815 HD23 LEU 103 2HD2 LEU 103 -1.002 -8.092 -2.410 816 H VAL 104 H VAL 104 -0.405 -11.639 -5.943 817 HA VAL 104 HA VAL 104 -0.732 -9.358 -7.821 818 HB VAL 104 HB VAL 104 1.530 -11.425 -7.800 819 HG11 VAL 104 1HG1 VAL 104 2.470 -10.177 -9.710 820 HG12 VAL 104 2HG1 VAL 104 1.067 -9.106 -9.713 821 HG13 VAL 104 3HG1 VAL 104 0.874 -10.817 -10.104 822 HG21 VAL 104 3HG2 VAL 104 3.045 -9.518 -7.359 823 HG22 VAL 104 1HG2 VAL 104 1.865 -9.705 -6.060 824 HG23 VAL 104 2HG2 VAL 104 1.658 -8.429 -7.262 825 H THR 105 H THR 105 -2.226 -9.881 -9.314 826 HA THR 105 HA THR 105 -2.976 -12.647 -9.884 827 HB THR 105 HB THR 105 -4.675 -11.422 -11.453 828 HG1 THR 105 HG1 THR 105 -4.846 -9.252 -11.234 829 HG21 THR 105 3HG2 THR 105 -4.805 -10.971 -8.452 830 HG22 THR 105 1HG2 THR 105 -5.339 -12.419 -9.310 831 HG23 THR 105 2HG2 THR 105 -6.176 -10.886 -9.561 832 H GLU 106 H GLU 106 -1.888 -9.793 -11.745 833 HA GLU 106 HA GLU 106 -0.989 -11.529 -13.973 834 HB2 GLU 106 2HB GLU 106 -1.524 -8.521 -13.877 835 HB3 GLU 106 3HB GLU 106 -0.917 -9.389 -15.293 836 HG2 GLU 106 2HG GLU 106 -2.971 -10.739 -15.361 837 HG3 GLU 106 3HG GLU 106 -3.586 -9.898 -13.933 838 H GLU 107 H GLU 107 1.099 -11.896 -14.209 839 HA GLU 107 HA GLU 107 3.075 -11.205 -12.356 840 HB2 GLU 107 2HB GLU 107 3.544 -12.149 -15.226 841 HB3 GLU 107 3HB GLU 107 4.658 -12.317 -13.866 842 HG2 GLU 107 2HG GLU 107 3.175 -13.898 -12.777 843 HG3 GLU 107 3HG GLU 107 1.927 -13.635 -13.989 Start of MODEL 12 1 H1 MET 1 1H MET 1 -9.177 -15.258 29.482 2 H2 MET 1 2H MET 1 -9.815 -14.151 28.383 3 H3 MET 1 3H MET 1 -10.761 -14.698 29.668 4 HA MET 1 HA MET 1 -9.976 -12.477 30.086 5 HB2 MET 1 2HB MET 1 -8.625 -14.585 31.831 6 HB3 MET 1 3HB MET 1 -8.859 -12.905 32.300 7 HG2 MET 1 2HG MET 1 -11.286 -13.216 32.250 8 HG3 MET 1 3HG MET 1 -11.070 -14.889 31.722 9 HE1 MET 1 3HE MET 1 -12.312 -15.281 35.461 10 HE2 MET 1 1HE MET 1 -12.623 -15.734 33.785 11 HE3 MET 1 2HE MET 1 -12.833 -14.058 34.302 12 H GLY 2 H GLY 2 -8.459 -10.987 29.615 13 HA2 GLY 2 2HA GLY 2 -5.668 -11.276 29.903 14 HA3 GLY 2 3HA GLY 2 -6.086 -11.485 28.203 15 H HIS 3 H HIS 3 -5.049 -9.234 30.344 16 HA HIS 3 HA HIS 3 -6.668 -6.974 29.432 17 HB2 HIS 3 2HB HIS 3 -5.544 -5.644 31.082 18 HB3 HIS 3 3HB HIS 3 -5.885 -7.191 31.837 19 HD1 HIS 3 HD1 HIS 3 -3.111 -4.952 30.804 20 HD2 HIS 3 HD2 HIS 3 -3.544 -8.744 32.455 21 HE1 HIS 3 HE1 HIS 3 -0.830 -5.594 31.637 22 HE2 HIS 3 HE2 HIS 3 -1.089 -7.940 32.510 23 H HIS 4 H HIS 4 -4.327 -8.619 27.946 24 HA HIS 4 HA HIS 4 -2.576 -6.524 27.040 25 HB2 HIS 4 2HB HIS 4 -1.600 -8.212 25.553 26 HB3 HIS 4 3HB HIS 4 -1.783 -8.852 27.171 27 HD1 HIS 4 HD1 HIS 4 -2.224 -9.795 23.781 28 HD2 HIS 4 HD2 HIS 4 -4.303 -10.590 27.295 29 HE1 HIS 4 HE1 HIS 4 -3.573 -11.854 23.321 30 HE2 HIS 4 HE2 HIS 4 -4.958 -12.202 25.388 31 H HIS 5 H HIS 5 -3.923 -4.935 26.281 32 HA HIS 5 HA HIS 5 -5.723 -5.451 24.025 33 HB2 HIS 5 2HB HIS 5 -6.477 -3.114 24.326 34 HB3 HIS 5 3HB HIS 5 -6.597 -4.037 25.812 35 HD1 HIS 5 HD1 HIS 5 -5.267 -0.940 24.458 36 HD2 HIS 5 HD2 HIS 5 -4.483 -3.349 27.747 37 HE1 HIS 5 HE1 HIS 5 -3.943 0.488 26.042 38 HE2 HIS 5 HE2 HIS 5 -3.280 -1.074 27.891 39 H HIS 6 H HIS 6 -3.591 -6.109 22.949 40 HA HIS 6 HA HIS 6 -3.450 -4.342 20.708 41 HB2 HIS 6 2HB HIS 6 -1.584 -3.365 22.143 42 HB3 HIS 6 3HB HIS 6 -0.761 -4.922 22.069 43 HD1 HIS 6 HD1 HIS 6 0.984 -5.000 20.273 44 HD2 HIS 6 HD2 HIS 6 -2.065 -2.348 19.310 45 HE1 HIS 6 HE1 HIS 6 1.576 -4.079 18.010 46 HE2 HIS 6 HE2 HIS 6 -0.390 -2.653 17.369 47 H HIS 7 H HIS 7 -4.178 -7.099 21.650 48 HA HIS 7 HA HIS 7 -2.554 -9.039 20.366 49 HB2 HIS 7 2HB HIS 7 -4.191 -9.698 22.071 50 HB3 HIS 7 3HB HIS 7 -5.517 -9.063 21.101 51 HD1 HIS 7 HD1 HIS 7 -2.859 -11.792 20.906 52 HD2 HIS 7 HD2 HIS 7 -6.682 -10.960 19.476 53 HE1 HIS 7 HE1 HIS 7 -3.581 -13.842 19.653 54 HE2 HIS 7 HE2 HIS 7 -5.846 -13.273 18.707 55 H HIS 8 H HIS 8 -2.391 -9.550 18.223 56 HA HIS 8 HA HIS 8 -3.668 -8.004 16.200 57 HB2 HIS 8 2HB HIS 8 -2.501 -9.452 14.583 58 HB3 HIS 8 3HB HIS 8 -1.406 -8.998 15.881 59 HD1 HIS 8 HD1 HIS 8 -0.874 -10.918 17.687 60 HD2 HIS 8 HD2 HIS 8 -2.738 -12.179 14.191 61 HE1 HIS 8 HE1 HIS 8 -0.620 -13.413 17.637 62 HE2 HIS 8 HE2 HIS 8 -1.744 -14.151 15.520 63 H SER 9 H SER 9 -5.605 -8.274 15.274 64 HA SER 9 HA SER 9 -7.487 -10.223 16.129 65 HB2 SER 9 2HB SER 9 -8.903 -9.147 14.265 66 HB3 SER 9 3HB SER 9 -8.289 -8.045 15.495 67 HG SER 9 HG SER 9 -8.035 -7.445 13.175 68 H HIS 10 H HIS 10 -5.790 -9.745 13.024 69 HA HIS 10 HA HIS 10 -5.708 -12.673 12.599 70 HB2 HIS 10 2HB HIS 10 -6.404 -10.621 10.435 71 HB3 HIS 10 3HB HIS 10 -6.018 -12.306 10.111 72 HD1 HIS 10 HD1 HIS 10 -7.825 -14.043 10.555 73 HD2 HIS 10 HD2 HIS 10 -8.979 -10.187 11.556 74 HE1 HIS 10 HE1 HIS 10 -10.289 -14.168 10.976 75 HE2 HIS 10 HE2 HIS 10 -10.913 -11.874 11.783 76 H MET 11 H MET 11 -4.564 -9.494 11.585 77 HA MET 11 HA MET 11 -1.762 -10.312 11.578 78 HB2 MET 11 2HB MET 11 -1.472 -9.275 9.256 79 HB3 MET 11 3HB MET 11 -2.314 -10.816 9.284 80 HG2 MET 11 2HG MET 11 -4.484 -9.604 9.113 81 HG3 MET 11 3HG MET 11 -3.601 -8.084 8.992 82 HE1 MET 11 3HE MET 11 -1.840 -8.423 5.524 83 HE2 MET 11 1HE MET 11 -1.153 -8.778 7.107 84 HE3 MET 11 2HE MET 11 -2.180 -7.361 6.889 85 H PHE 12 H PHE 12 -0.470 -8.640 12.214 86 HA PHE 12 HA PHE 12 -1.690 -6.023 12.785 87 HB2 PHE 12 2HB PHE 12 0.115 -5.664 14.368 88 HB3 PHE 12 3HB PHE 12 -0.530 -7.272 14.658 89 HD1 PHE 12 HD2 PHE 12 0.790 -9.299 13.655 90 HD2 PHE 12 HD1 PHE 12 2.463 -5.363 13.986 91 HE1 PHE 12 HE2 PHE 12 3.061 -10.231 13.438 92 HE2 PHE 12 HE1 PHE 12 4.723 -6.316 13.764 93 HZ PHE 12 HZ PHE 12 5.022 -8.744 13.491 94 H ILE 13 H ILE 13 -0.969 -4.169 11.751 95 HA ILE 13 HA ILE 13 1.133 -4.446 9.707 96 HB ILE 13 HB ILE 13 -0.941 -2.239 10.089 97 HG12 ILE 13 2HG1 ILE 13 -0.662 -4.454 8.003 98 HG13 ILE 13 3HG1 ILE 13 -1.919 -4.320 9.225 99 HG21 ILE 13 1HG2 ILE 13 1.153 -1.280 9.191 100 HG22 ILE 13 2HG2 ILE 13 -0.110 -1.277 7.961 101 HG23 ILE 13 3HG2 ILE 13 1.169 -2.492 7.906 102 HD11 ILE 13 3HD1 ILE 13 -2.767 -3.727 7.061 103 HD12 ILE 13 1HD1 ILE 13 -1.523 -2.494 6.862 104 HD13 ILE 13 2HD1 ILE 13 -2.761 -2.309 8.106 105 H GLN 14 H GLN 14 3.061 -3.723 10.090 106 HA GLN 14 HA GLN 14 3.725 -1.957 12.352 107 HB2 GLN 14 2HB GLN 14 4.743 -4.247 12.249 108 HB3 GLN 14 3HB GLN 14 5.416 -3.879 10.672 109 HG2 GLN 14 2HG GLN 14 6.185 -2.319 13.145 110 HG3 GLN 14 3HG GLN 14 6.981 -3.827 12.722 111 HE21 GLN 14 1HE2 GLN 14 8.092 -3.894 10.638 112 HE22 GLN 14 2HE2 GLN 14 8.805 -2.451 10.017 113 H THR 15 H THR 15 4.189 0.134 11.790 114 HA THR 15 HA THR 15 4.632 0.789 8.941 115 HB THR 15 HB THR 15 3.977 3.135 9.597 116 HG1 THR 15 HG1 THR 15 3.741 1.892 12.127 117 HG21 THR 15 3HG2 THR 15 1.907 1.022 10.311 118 HG22 THR 15 1HG2 THR 15 2.269 1.598 8.677 119 HG23 THR 15 2HG2 THR 15 1.567 2.695 9.867 120 H GLN 16 H GLN 16 6.504 1.615 8.282 121 HA GLN 16 HA GLN 16 8.631 2.338 10.196 122 HB2 GLN 16 2HB GLN 16 9.166 0.166 9.225 123 HB3 GLN 16 3HB GLN 16 8.787 0.736 7.605 124 HG2 GLN 16 2HG GLN 16 10.748 2.200 7.626 125 HG3 GLN 16 3HG GLN 16 11.105 1.731 9.289 126 HE21 GLN 16 1HE2 GLN 16 13.187 1.029 8.620 127 HE22 GLN 16 2HE2 GLN 16 13.410 -0.454 7.762 128 H ASP 17 H ASP 17 9.639 4.259 9.752 129 HA ASP 17 HA ASP 17 8.476 6.036 7.805 130 HB2 ASP 17 2HB ASP 17 10.835 6.445 9.694 131 HB3 ASP 17 3HB ASP 17 10.094 7.714 8.718 132 H THR 18 H THR 18 9.701 7.223 6.281 133 HA THR 18 HA THR 18 12.043 5.915 5.051 134 HB THR 18 HB THR 18 11.030 6.446 2.793 135 HG1 THR 18 HG1 THR 18 9.160 7.687 4.339 136 HG21 THR 18 3HG2 THR 18 9.349 4.649 2.709 137 HG22 THR 18 1HG2 THR 18 9.239 4.653 4.475 138 HG23 THR 18 2HG2 THR 18 10.734 4.152 3.682 139 HA PRO 19 HA PRO 19 13.939 10.023 5.060 140 HB2 PRO 19 2HB PRO 19 14.365 9.698 2.082 141 HB3 PRO 19 3HB PRO 19 15.529 10.163 3.345 142 HG2 PRO 19 2HG PRO 19 15.599 7.706 2.382 143 HG3 PRO 19 3HG PRO 19 15.767 7.972 4.133 144 HD2 PRO 19 2HD PRO 19 13.360 7.005 2.599 145 HD3 PRO 19 3HD PRO 19 13.985 6.457 4.171 146 H ASN 20 H ASN 20 11.503 9.375 2.597 147 HA ASN 20 HA ASN 20 10.801 12.217 2.290 148 HB2 ASN 20 2HB ASN 20 9.669 9.742 0.906 149 HB3 ASN 20 3HB ASN 20 9.275 11.411 0.502 150 HD21 ASN 20 1HD2 ASN 20 10.836 12.681 -0.578 151 HD22 ASN 20 2HD2 ASN 20 12.213 11.978 -1.348 152 HA PRO 21 HA PRO 21 7.558 11.430 5.514 153 HB2 PRO 21 2HB PRO 21 6.668 14.039 5.677 154 HB3 PRO 21 3HB PRO 21 8.139 13.466 6.493 155 HG2 PRO 21 2HG PRO 21 7.896 14.926 3.874 156 HG3 PRO 21 3HG PRO 21 9.021 15.218 5.221 157 HD2 PRO 21 2HD PRO 21 9.800 13.856 3.023 158 HD3 PRO 21 3HD PRO 21 10.411 13.430 4.636 159 H ASN 22 H ASN 22 7.280 12.744 2.306 160 HA ASN 22 HA ASN 22 4.445 12.719 2.013 161 HB2 ASN 22 2HB ASN 22 6.714 12.613 -0.012 162 HB3 ASN 22 3HB ASN 22 5.018 12.659 -0.485 163 HD21 ASN 22 1HD2 ASN 22 3.848 14.557 -0.218 164 HD22 ASN 22 2HD2 ASN 22 4.609 16.069 0.121 165 H SER 23 H SER 23 6.692 10.229 2.337 166 HA SER 23 HA SER 23 4.755 8.219 1.339 167 HB2 SER 23 2HB SER 23 6.885 8.359 -0.044 168 HB3 SER 23 3HB SER 23 7.789 7.881 1.391 169 HG SER 23 HG SER 23 5.641 6.367 0.332 170 H LEU 24 H LEU 24 4.488 6.392 2.675 171 HA LEU 24 HA LEU 24 6.239 6.038 5.009 172 HB2 LEU 24 2HB LEU 24 4.156 7.218 5.809 173 HB3 LEU 24 3HB LEU 24 3.203 5.869 5.222 174 HG LEU 24 HG LEU 24 4.386 4.365 6.864 175 HD11 LEU 24 1HD1 LEU 24 6.467 5.604 7.125 176 HD12 LEU 24 2HD1 LEU 24 5.699 5.337 8.688 177 HD13 LEU 24 3HD1 LEU 24 5.609 6.927 7.923 178 HD21 LEU 24 3HD2 LEU 24 2.197 5.316 7.424 179 HD22 LEU 24 1HD2 LEU 24 2.974 6.738 8.124 180 HD23 LEU 24 2HD2 LEU 24 3.200 5.148 8.862 181 H LYS 25 H LYS 25 6.585 3.940 5.501 182 HA LYS 25 HA LYS 25 5.846 1.966 3.468 183 HB2 LYS 25 2HB LYS 25 8.246 2.448 4.027 184 HB3 LYS 25 3HB LYS 25 7.945 1.902 5.672 185 HG2 LYS 25 2HG LYS 25 7.474 -0.363 4.842 186 HG3 LYS 25 3HG LYS 25 7.742 0.186 3.181 187 HD2 LYS 25 2HD LYS 25 10.082 0.769 3.756 188 HD3 LYS 25 3HD LYS 25 9.810 0.230 5.415 189 HE2 LYS 25 2HE LYS 25 9.349 -2.059 4.537 190 HE3 LYS 25 3HE LYS 25 9.761 -1.486 2.918 191 HZ1 LYS 25 3HZ LYS 25 11.592 -1.410 5.254 192 HZ2 LYS 25 1HZ LYS 25 11.979 -1.008 3.659 193 HZ3 LYS 25 2HZ LYS 25 11.608 -2.607 4.060 194 H PHE 26 H PHE 26 4.177 0.632 3.949 195 HA PHE 26 HA PHE 26 3.403 0.081 6.745 196 HB2 PHE 26 2HB PHE 26 1.813 -0.168 4.145 197 HB3 PHE 26 3HB PHE 26 1.195 -0.597 5.735 198 HD1 PHE 26 HD2 PHE 26 2.274 2.263 3.590 199 HD2 PHE 26 HD1 PHE 26 0.352 1.097 7.238 200 HE1 PHE 26 HE2 PHE 26 1.483 4.572 3.922 201 HE2 PHE 26 HE1 PHE 26 -0.431 3.408 7.555 202 HZ PHE 26 HZ PHE 26 0.134 5.146 5.902 203 H ILE 27 H ILE 27 4.836 -1.661 7.196 204 HA ILE 27 HA ILE 27 4.976 -4.016 5.528 205 HB ILE 27 HB ILE 27 5.706 -3.663 8.489 206 HG12 ILE 27 2HG1 ILE 27 8.119 -3.940 7.593 207 HG13 ILE 27 3HG1 ILE 27 7.452 -3.663 5.991 208 HG21 ILE 27 1HG2 ILE 27 6.860 -5.853 8.360 209 HG22 ILE 27 2HG2 ILE 27 6.267 -6.068 6.710 210 HG23 ILE 27 3HG2 ILE 27 5.126 -6.012 8.056 211 HD11 ILE 27 3HD1 ILE 27 7.350 -1.727 8.305 212 HD12 ILE 27 1HD1 ILE 27 6.741 -1.430 6.673 213 HD13 ILE 27 2HD1 ILE 27 8.470 -1.663 6.942 214 HA PRO 28 HA PRO 28 0.760 -5.046 6.968 215 HB2 PRO 28 2HB PRO 28 0.294 -7.214 5.383 216 HB3 PRO 28 3HB PRO 28 0.354 -5.567 4.716 217 HG2 PRO 28 2HG PRO 28 2.511 -7.663 4.733 218 HG3 PRO 28 3HG PRO 28 1.951 -6.639 3.391 219 HD2 PRO 28 2HD PRO 28 4.173 -6.033 4.843 220 HD3 PRO 28 3HD PRO 28 3.134 -4.779 4.131 221 H GLY 29 H GLY 29 3.590 -6.803 7.541 222 HA2 GLY 29 2HA GLY 29 4.055 -8.159 9.394 223 HA3 GLY 29 3HA GLY 29 2.343 -8.518 9.574 224 H LYS 30 H LYS 30 1.739 -9.267 6.960 225 HA LYS 30 HA LYS 30 2.903 -11.921 6.726 226 HB2 LYS 30 2HB LYS 30 0.694 -10.489 5.174 227 HB3 LYS 30 3HB LYS 30 1.173 -12.162 4.886 228 HG2 LYS 30 2HG LYS 30 0.522 -12.745 7.198 229 HG3 LYS 30 3HG LYS 30 0.031 -11.069 7.481 230 HD2 LYS 30 2HD LYS 30 -1.734 -11.255 5.810 231 HD3 LYS 30 3HD LYS 30 -1.175 -12.863 5.340 232 HE2 LYS 30 2HE LYS 30 -2.316 -12.135 8.060 233 HE3 LYS 30 3HE LYS 30 -3.198 -12.947 6.763 234 HZ1 LYS 30 3HZ LYS 30 -1.648 -14.783 6.888 235 HZ2 LYS 30 1HZ LYS 30 -2.353 -14.515 8.400 236 HZ3 LYS 30 2HZ LYS 30 -0.771 -14.012 8.104 237 HA PRO 31 HA PRO 31 5.728 -10.909 3.292 238 HB2 PRO 31 2HB PRO 31 5.623 -13.260 1.828 239 HB3 PRO 31 3HB PRO 31 6.529 -13.102 3.349 240 HG2 PRO 31 2HG PRO 31 3.788 -14.250 2.899 241 HG3 PRO 31 3HG PRO 31 5.124 -14.886 3.886 242 HD2 PRO 31 2HD PRO 31 3.064 -13.554 5.016 243 HD3 PRO 31 3HD PRO 31 4.720 -13.395 5.645 244 H VAL 32 H VAL 32 5.603 -10.115 1.119 245 HA VAL 32 HA VAL 32 3.019 -10.400 -0.281 246 HB VAL 32 HB VAL 32 2.883 -8.068 -0.927 247 HG11 VAL 32 1HG1 VAL 32 3.193 -8.278 2.081 248 HG12 VAL 32 2HG1 VAL 32 1.756 -8.687 1.143 249 HG13 VAL 32 3HG1 VAL 32 2.309 -7.014 1.215 250 HG21 VAL 32 3HG2 VAL 32 5.337 -7.476 0.751 251 HG22 VAL 32 1HG2 VAL 32 4.331 -6.286 -0.077 252 HG23 VAL 32 2HG2 VAL 32 5.265 -7.459 -1.009 253 H LEU 33 H LEU 33 6.387 -9.235 -0.706 254 HA LEU 33 HA LEU 33 6.689 -10.662 -3.220 255 HB2 LEU 33 2HB LEU 33 6.728 -7.621 -3.099 256 HB3 LEU 33 3HB LEU 33 7.622 -8.488 -4.332 257 HG LEU 33 HG LEU 33 4.596 -8.451 -4.007 258 HD11 LEU 33 1HD1 LEU 33 5.541 -6.351 -4.855 259 HD12 LEU 33 2HD1 LEU 33 4.601 -7.177 -6.092 260 HD13 LEU 33 3HD1 LEU 33 6.366 -7.226 -6.145 261 HD21 LEU 33 3HD2 LEU 33 6.273 -9.840 -6.125 262 HD22 LEU 33 1HD2 LEU 33 4.511 -9.684 -6.133 263 HD23 LEU 33 2HD2 LEU 33 5.307 -10.628 -4.873 264 H GLU 34 H GLU 34 8.117 -11.598 -1.401 265 HA GLU 34 HA GLU 34 10.551 -10.340 -0.686 266 HB2 GLU 34 2HB GLU 34 9.628 -12.442 0.362 267 HB3 GLU 34 3HB GLU 34 10.030 -13.323 -1.100 268 HG2 GLU 34 2HG GLU 34 12.137 -11.895 0.548 269 HG3 GLU 34 3HG GLU 34 11.612 -13.529 0.930 270 H THR 35 H THR 35 9.511 -12.242 -3.461 271 HA THR 35 HA THR 35 12.063 -12.807 -4.540 272 HB THR 35 HB THR 35 10.028 -14.179 -4.961 273 HG1 THR 35 HG1 THR 35 11.186 -14.840 -6.579 274 HG21 THR 35 3HG2 THR 35 8.377 -12.361 -5.357 275 HG22 THR 35 1HG2 THR 35 8.395 -13.533 -6.677 276 HG23 THR 35 2HG2 THR 35 9.183 -11.966 -6.878 277 H ARG 36 H ARG 36 9.979 -9.976 -4.935 278 HA ARG 36 HA ARG 36 11.889 -8.653 -6.659 279 HB2 ARG 36 2HB ARG 36 10.456 -8.339 -8.585 280 HB3 ARG 36 3HB ARG 36 10.578 -10.065 -8.272 281 HG2 ARG 36 2HG ARG 36 8.327 -10.080 -7.284 282 HG3 ARG 36 3HG ARG 36 8.212 -8.327 -7.465 283 HD2 ARG 36 2HD ARG 36 8.401 -10.363 -9.712 284 HD3 ARG 36 3HD ARG 36 6.964 -9.451 -9.242 285 HE ARG 36 HE ARG 36 8.693 -7.473 -9.797 286 HH11 ARG 36 1HH1 ARG 36 7.855 -10.346 -11.687 287 HH12 ARG 36 2HH1 ARG 36 8.172 -9.565 -13.204 288 HH21 ARG 36 1HH2 ARG 36 9.119 -6.501 -11.814 289 HH22 ARG 36 2HH2 ARG 36 8.883 -7.405 -13.276 290 H THR 37 H THR 37 10.797 -6.491 -7.496 291 HA THR 37 HA THR 37 8.923 -5.354 -5.499 292 HB THR 37 HB THR 37 10.067 -3.109 -6.015 293 HG1 THR 37 HG1 THR 37 12.179 -4.786 -6.958 294 HG21 THR 37 3HG2 THR 37 11.955 -3.465 -4.457 295 HG22 THR 37 1HG2 THR 37 11.762 -5.213 -4.618 296 HG23 THR 37 2HG2 THR 37 10.484 -4.246 -3.871 297 H MET 38 H MET 38 7.348 -3.925 -6.345 298 HA MET 38 HA MET 38 7.127 -3.586 -9.258 299 HB2 MET 38 2HB MET 38 4.956 -4.884 -7.539 300 HB3 MET 38 3HB MET 38 4.688 -4.287 -9.171 301 HG2 MET 38 2HG MET 38 6.391 -5.920 -9.992 302 HG3 MET 38 3HG MET 38 6.507 -6.566 -8.358 303 HE1 MET 38 3HE MET 38 3.257 -5.307 -10.260 304 HE2 MET 38 1HE MET 38 2.689 -6.826 -10.953 305 HE3 MET 38 2HE MET 38 4.195 -6.110 -11.522 306 H ASP 39 H ASP 39 6.729 -1.481 -9.612 307 HA ASP 39 HA ASP 39 5.453 0.144 -7.488 308 HB2 ASP 39 2HB ASP 39 6.573 2.106 -8.413 309 HB3 ASP 39 3HB ASP 39 7.752 0.858 -8.052 310 H PHE 40 H PHE 40 3.773 1.420 -7.917 311 HA PHE 40 HA PHE 40 2.436 1.342 -10.558 312 HB2 PHE 40 2HB PHE 40 0.952 1.213 -7.890 313 HB3 PHE 40 3HB PHE 40 0.291 0.942 -9.502 314 HD1 PHE 40 HD2 PHE 40 1.049 -1.129 -10.802 315 HD2 PHE 40 HD1 PHE 40 1.871 -0.601 -6.633 316 HE1 PHE 40 HE2 PHE 40 1.544 -3.530 -10.586 317 HE2 PHE 40 HE1 PHE 40 2.372 -2.995 -6.438 318 HZ PHE 40 HZ PHE 40 2.208 -4.461 -8.407 319 HA PRO 41 HA PRO 41 3.096 5.775 -9.299 320 HB2 PRO 41 2HB PRO 41 3.204 6.750 -11.884 321 HB3 PRO 41 3HB PRO 41 4.608 6.039 -11.057 322 HG2 PRO 41 2HG PRO 41 2.733 4.741 -13.027 323 HG3 PRO 41 3HG PRO 41 4.512 4.688 -12.963 324 HD2 PRO 41 2HD PRO 41 3.022 2.648 -12.014 325 HD3 PRO 41 3HD PRO 41 4.544 3.123 -11.226 326 H THR 42 H THR 42 0.823 4.296 -11.527 327 HA THR 42 HA THR 42 -1.234 6.354 -10.975 328 HB THR 42 HB THR 42 -2.185 5.794 -13.231 329 HG1 THR 42 HG1 THR 42 -0.084 4.666 -14.425 330 HG21 THR 42 3HG2 THR 42 -0.524 6.950 -14.631 331 HG22 THR 42 1HG2 THR 42 0.717 6.703 -13.397 332 HG23 THR 42 2HG2 THR 42 -0.668 7.747 -13.063 333 HA PRO 43 HA PRO 43 -3.912 2.848 -9.691 334 HB2 PRO 43 2HB PRO 43 -6.118 4.282 -11.139 335 HB3 PRO 43 3HB PRO 43 -6.039 3.750 -9.445 336 HG2 PRO 43 2HG PRO 43 -5.823 6.339 -10.053 337 HG3 PRO 43 3HG PRO 43 -4.836 5.621 -8.758 338 HD2 PRO 43 2HD PRO 43 -4.027 6.314 -11.578 339 HD3 PRO 43 3HD PRO 43 -3.134 6.557 -10.057 340 H ALA 44 H ALA 44 -3.633 4.025 -12.963 341 HA ALA 44 HA ALA 44 -5.084 2.070 -14.389 342 HB1 ALA 44 3HB ALA 44 -3.874 2.908 -16.365 343 HB2 ALA 44 1HB ALA 44 -2.730 3.754 -15.316 344 HB3 ALA 44 2HB ALA 44 -4.426 4.244 -15.351 345 H ALA 45 H ALA 45 -1.624 2.255 -13.471 346 HA ALA 45 HA ALA 45 -0.876 -0.216 -14.748 347 HB1 ALA 45 3HB ALA 45 1.318 0.172 -13.688 348 HB2 ALA 45 1HB ALA 45 0.624 1.474 -12.714 349 HB3 ALA 45 2HB ALA 45 0.719 1.638 -14.469 350 H ALA 46 H ALA 46 -2.380 0.523 -11.765 351 HA ALA 46 HA ALA 46 -1.247 -1.407 -10.039 352 HB1 ALA 46 3HB ALA 46 -3.073 -0.853 -8.516 353 HB2 ALA 46 1HB ALA 46 -3.941 -0.040 -9.824 354 HB3 ALA 46 2HB ALA 46 -2.408 0.613 -9.243 355 H PHE 47 H PHE 47 -3.400 -1.903 -12.630 356 HA PHE 47 HA PHE 47 -5.259 -3.768 -11.738 357 HB2 PHE 47 2HB PHE 47 -5.581 -4.426 -14.043 358 HB3 PHE 47 3HB PHE 47 -5.226 -2.708 -14.029 359 HD1 PHE 47 HD1 PHE 47 -2.841 -1.949 -14.624 360 HD2 PHE 47 HD2 PHE 47 -4.241 -5.927 -15.356 361 HE1 PHE 47 HE1 PHE 47 -1.020 -2.305 -16.234 362 HE2 PHE 47 HE2 PHE 47 -2.410 -6.267 -16.960 363 HZ PHE 47 HZ PHE 47 -0.800 -4.461 -17.404 364 H ARG 48 H ARG 48 -1.871 -4.249 -12.275 365 HA ARG 48 HA ARG 48 -1.758 -7.035 -12.722 366 HB2 ARG 48 2HB ARG 48 0.406 -5.335 -11.422 367 HB3 ARG 48 3HB ARG 48 0.616 -6.857 -12.280 368 HG2 ARG 48 2HG ARG 48 -0.326 -5.577 -14.339 369 HG3 ARG 48 3HG ARG 48 0.019 -4.118 -13.403 370 HD2 ARG 48 2HD ARG 48 1.910 -4.544 -14.833 371 HD3 ARG 48 3HD ARG 48 2.397 -4.934 -13.181 372 HE ARG 48 HE ARG 48 2.155 -7.281 -13.706 373 HH11 ARG 48 1HH1 ARG 48 2.178 -5.121 -16.510 374 HH12 ARG 48 2HH1 ARG 48 2.600 -6.387 -17.622 375 HH21 ARG 48 1HH2 ARG 48 2.606 -8.935 -15.210 376 HH22 ARG 48 2HH2 ARG 48 2.842 -8.549 -16.882 377 H SER 49 H SER 49 -2.352 -5.246 -9.863 378 HA SER 49 HA SER 49 -2.066 -7.589 -8.113 379 HB2 SER 49 2HB SER 49 -0.883 -6.120 -6.427 380 HB3 SER 49 3HB SER 49 0.066 -6.423 -7.885 381 HG SER 49 HG SER 49 -1.437 -4.235 -8.248 382 HA PRO 50 HA PRO 50 -6.184 -5.791 -7.403 383 HB2 PRO 50 2HB PRO 50 -6.950 -7.671 -5.439 384 HB3 PRO 50 3HB PRO 50 -7.199 -7.827 -7.189 385 HG2 PRO 50 2HG PRO 50 -5.087 -9.033 -5.470 386 HG3 PRO 50 3HG PRO 50 -5.887 -9.689 -6.914 387 HD2 PRO 50 2HD PRO 50 -3.356 -8.697 -6.991 388 HD3 PRO 50 3HD PRO 50 -4.459 -8.593 -8.380 389 H LEU 51 H LEU 51 -3.868 -6.465 -4.768 390 HA LEU 51 HA LEU 51 -5.238 -5.020 -2.740 391 HB2 LEU 51 2HB LEU 51 -3.458 -6.626 -2.175 392 HB3 LEU 51 3HB LEU 51 -2.265 -5.608 -2.962 393 HG LEU 51 HG LEU 51 -2.583 -3.847 -1.258 394 HD11 LEU 51 1HD1 LEU 51 -3.979 -4.178 0.727 395 HD12 LEU 51 2HD1 LEU 51 -4.598 -5.691 0.057 396 HD13 LEU 51 3HD1 LEU 51 -4.947 -4.157 -0.747 397 HD21 LEU 51 3HD2 LEU 51 -2.083 -6.561 -0.005 398 HD22 LEU 51 1HD2 LEU 51 -1.619 -4.999 0.681 399 HD23 LEU 51 2HD2 LEU 51 -0.892 -5.549 -0.828 400 H ALA 52 H ALA 52 -2.752 -4.062 -5.107 401 HA ALA 52 HA ALA 52 -2.250 -1.438 -4.181 402 HB1 ALA 52 3HB ALA 52 -0.810 -2.568 -5.830 403 HB2 ALA 52 1HB ALA 52 -1.340 -0.991 -6.420 404 HB3 ALA 52 2HB ALA 52 -2.094 -2.467 -7.038 405 H ARG 53 H ARG 53 -4.625 -2.717 -6.490 406 HA ARG 53 HA ARG 53 -5.886 -0.353 -7.329 407 HB2 ARG 53 2HB ARG 53 -7.225 -3.066 -6.904 408 HB3 ARG 53 3HB ARG 53 -7.766 -1.786 -7.991 409 HG2 ARG 53 2HG ARG 53 -5.820 -2.120 -9.416 410 HG3 ARG 53 3HG ARG 53 -5.151 -3.297 -8.285 411 HD2 ARG 53 2HD ARG 53 -6.123 -4.489 -10.138 412 HD3 ARG 53 3HD ARG 53 -7.132 -4.761 -8.716 413 HE ARG 53 HE ARG 53 -8.101 -2.570 -10.265 414 HH11 ARG 53 1HH1 ARG 53 -8.000 -6.105 -10.271 415 HH12 ARG 53 2HH1 ARG 53 -9.454 -6.249 -11.212 416 HH21 ARG 53 1HH2 ARG 53 -10.016 -2.803 -11.457 417 HH22 ARG 53 2HH2 ARG 53 -10.593 -4.388 -11.878 418 H GLN 54 H GLN 54 -6.506 -2.486 -4.564 419 HA GLN 54 HA GLN 54 -8.822 -1.097 -3.616 420 HB2 GLN 54 2HB GLN 54 -7.084 -3.212 -2.284 421 HB3 GLN 54 3HB GLN 54 -8.601 -2.611 -1.616 422 HG2 GLN 54 2HG GLN 54 -9.811 -3.456 -3.585 423 HG3 GLN 54 3HG GLN 54 -8.302 -4.046 -4.273 424 HE21 GLN 54 1HE2 GLN 54 -10.703 -5.546 -3.629 425 HE22 GLN 54 2HE2 GLN 54 -10.228 -6.776 -2.509 426 H LEU 55 H LEU 55 -5.393 -0.824 -2.946 427 HA LEU 55 HA LEU 55 -5.609 0.933 -0.696 428 HB2 LEU 55 2HB LEU 55 -3.336 0.535 -2.680 429 HB3 LEU 55 3HB LEU 55 -3.209 1.552 -1.250 430 HG LEU 55 HG LEU 55 -3.711 -1.454 -1.220 431 HD11 LEU 55 1HD1 LEU 55 -1.442 -0.937 -1.975 432 HD12 LEU 55 2HD1 LEU 55 -1.431 -1.692 -0.385 433 HD13 LEU 55 3HD1 LEU 55 -1.171 0.050 -0.536 434 HD21 LEU 55 3HD2 LEU 55 -3.221 0.443 1.103 435 HD22 LEU 55 1HD2 LEU 55 -3.348 -1.316 1.206 436 HD23 LEU 55 2HD2 LEU 55 -4.743 -0.364 0.711 437 H PHE 56 H PHE 56 -5.379 1.481 -4.213 438 HA PHE 56 HA PHE 56 -5.318 4.322 -4.141 439 HB2 PHE 56 2HB PHE 56 -5.983 2.329 -6.318 440 HB3 PHE 56 3HB PHE 56 -6.217 4.046 -6.599 441 HD1 PHE 56 HD1 PHE 56 -4.073 5.547 -5.970 442 HD2 PHE 56 HD2 PHE 56 -3.933 1.408 -7.031 443 HE1 PHE 56 HE1 PHE 56 -1.747 5.799 -6.707 444 HE2 PHE 56 HE2 PHE 56 -1.596 1.677 -7.750 445 HZ PHE 56 HZ PHE 56 -0.503 3.873 -7.590 446 H ARG 57 H ARG 57 -7.930 2.151 -3.553 447 HA ARG 57 HA ARG 57 -10.218 3.622 -4.216 448 HB2 ARG 57 2HB ARG 57 -9.592 1.674 -1.993 449 HB3 ARG 57 3HB ARG 57 -11.144 2.487 -1.997 450 HG2 ARG 57 2HG ARG 57 -11.796 1.456 -4.045 451 HG3 ARG 57 3HG ARG 57 -10.166 0.836 -4.334 452 HD2 ARG 57 2HD ARG 57 -11.853 -0.866 -3.474 453 HD3 ARG 57 3HD ARG 57 -10.348 -0.757 -2.570 454 HE ARG 57 HE ARG 57 -12.965 0.315 -1.687 455 HH11 ARG 57 1HH1 ARG 57 -9.728 -0.853 -0.859 456 HH12 ARG 57 2HH1 ARG 57 -10.026 -0.828 0.849 457 HH21 ARG 57 1HH2 ARG 57 -13.316 0.340 0.563 458 HH22 ARG 57 2HH2 ARG 57 -12.055 -0.155 1.646 459 H ILE 58 H ILE 58 -7.856 4.211 -1.733 460 HA ILE 58 HA ILE 58 -9.587 5.712 0.069 461 HB ILE 58 HB ILE 58 -6.586 5.142 0.139 462 HG12 ILE 58 2HG1 ILE 58 -8.776 3.668 1.677 463 HG13 ILE 58 3HG1 ILE 58 -8.119 3.099 0.147 464 HG21 ILE 58 1HG2 ILE 58 -8.393 6.122 2.381 465 HG22 ILE 58 2HG2 ILE 58 -7.158 7.071 1.552 466 HG23 ILE 58 3HG2 ILE 58 -6.687 5.693 2.546 467 HD11 ILE 58 3HD1 ILE 58 -5.907 2.919 1.169 468 HD12 ILE 58 1HD1 ILE 58 -7.115 1.934 1.992 469 HD13 ILE 58 2HD1 ILE 58 -6.581 3.453 2.711 470 H GLU 59 H GLU 59 -9.813 7.904 -0.026 471 HA GLU 59 HA GLU 59 -8.463 9.530 -1.942 472 HB2 GLU 59 2HB GLU 59 -9.609 11.463 -0.766 473 HB3 GLU 59 3HB GLU 59 -10.683 10.205 -1.356 474 HG2 GLU 59 2HG GLU 59 -10.817 9.295 0.967 475 HG3 GLU 59 3HG GLU 59 -9.840 10.657 1.520 476 H GLY 60 H GLY 60 -6.394 9.987 -1.799 477 HA2 GLY 60 2HA GLY 60 -4.833 11.422 -0.332 478 HA3 GLY 60 3HA GLY 60 -5.035 10.108 0.821 479 H VAL 61 H VAL 61 -5.158 8.080 -1.389 480 HA VAL 61 HA VAL 61 -2.307 7.565 -1.457 481 HB VAL 61 HB VAL 61 -4.674 5.918 -2.448 482 HG11 VAL 61 1HG1 VAL 61 -1.752 5.088 -2.273 483 HG12 VAL 61 2HG1 VAL 61 -2.684 5.313 -3.754 484 HG13 VAL 61 3HG1 VAL 61 -3.106 4.012 -2.641 485 HG21 VAL 61 3HG2 VAL 61 -2.936 5.600 0.035 486 HG22 VAL 61 1HG2 VAL 61 -4.259 4.530 -0.443 487 HG23 VAL 61 2HG2 VAL 61 -4.595 6.204 0.008 488 H LYS 62 H LYS 62 -1.148 8.561 -2.917 489 HA LYS 62 HA LYS 62 -2.128 9.414 -5.525 490 HB2 LYS 62 2HB LYS 62 -0.782 10.920 -4.045 491 HB3 LYS 62 3HB LYS 62 0.583 9.829 -4.195 492 HG2 LYS 62 2HG LYS 62 0.900 11.744 -5.645 493 HG3 LYS 62 3HG LYS 62 0.677 10.295 -6.630 494 HD2 LYS 62 2HD LYS 62 -1.637 10.932 -7.111 495 HD3 LYS 62 3HD LYS 62 -1.518 12.315 -6.018 496 HE2 LYS 62 2HE LYS 62 -1.322 12.995 -8.383 497 HE3 LYS 62 3HE LYS 62 0.151 13.355 -7.489 498 HZ1 LYS 62 3HZ LYS 62 -0.234 10.977 -9.226 499 HZ2 LYS 62 1HZ LYS 62 1.195 11.415 -8.437 500 HZ3 LYS 62 2HZ LYS 62 0.582 12.383 -9.679 501 H SER 63 H SER 63 0.253 7.202 -4.132 502 HA SER 63 HA SER 63 0.451 5.662 -6.580 503 HB2 SER 63 2HB SER 63 2.951 6.936 -5.369 504 HB3 SER 63 3HB SER 63 2.939 5.752 -6.677 505 HG SER 63 HG SER 63 1.408 7.507 -7.627 506 H VAL 64 H VAL 64 1.094 3.549 -6.193 507 HA VAL 64 HA VAL 64 1.614 2.742 -3.378 508 HB VAL 64 HB VAL 64 0.116 1.184 -5.543 509 HG11 VAL 64 1HG1 VAL 64 -0.203 -0.609 -3.854 510 HG12 VAL 64 2HG1 VAL 64 0.856 0.260 -2.739 511 HG13 VAL 64 3HG1 VAL 64 1.503 -0.379 -4.252 512 HG21 VAL 64 3HG2 VAL 64 -1.817 1.291 -4.010 513 HG22 VAL 64 1HG2 VAL 64 -1.273 2.908 -4.469 514 HG23 VAL 64 2HG2 VAL 64 -0.870 2.259 -2.875 515 H PHE 65 H PHE 65 3.374 1.520 -3.047 516 HA PHE 65 HA PHE 65 4.827 0.264 -5.290 517 HB2 PHE 65 2HB PHE 65 6.110 2.253 -4.584 518 HB3 PHE 65 3HB PHE 65 6.001 1.765 -2.899 519 HD1 PHE 65 HD2 PHE 65 7.407 0.698 -6.199 520 HD2 PHE 65 HD1 PHE 65 7.750 0.433 -1.948 521 HE1 PHE 65 HE2 PHE 65 9.544 -0.494 -6.443 522 HE2 PHE 65 HE1 PHE 65 9.887 -0.756 -2.201 523 HZ PHE 65 HZ PHE 65 10.787 -1.223 -4.444 524 H PHE 66 H PHE 66 5.420 -1.844 -4.871 525 HA PHE 66 HA PHE 66 5.007 -2.918 -2.145 526 HB2 PHE 66 2HB PHE 66 4.767 -4.299 -4.839 527 HB3 PHE 66 3HB PHE 66 4.838 -5.180 -3.318 528 HD1 PHE 66 HD2 PHE 66 3.045 -2.993 -1.827 529 HD2 PHE 66 HD1 PHE 66 2.591 -5.278 -5.423 530 HE1 PHE 66 HE2 PHE 66 0.601 -2.854 -1.610 531 HE2 PHE 66 HE1 PHE 66 0.140 -5.118 -5.186 532 HZ PHE 66 HZ PHE 66 -0.852 -3.911 -3.286 533 H GLY 67 H GLY 67 6.721 -3.536 -1.135 534 HA2 GLY 67 2HA GLY 67 9.332 -3.851 -2.497 535 HA3 GLY 67 3HA GLY 67 9.119 -3.189 -0.881 536 HA PRO 68 HA PRO 68 10.119 -7.915 -0.771 537 HB2 PRO 68 2HB PRO 68 12.122 -6.787 1.183 538 HB3 PRO 68 3HB PRO 68 12.301 -8.126 0.027 539 HG2 PRO 68 2HG PRO 68 13.410 -5.805 -0.548 540 HG3 PRO 68 3HG PRO 68 12.534 -6.697 -1.816 541 HD2 PRO 68 2HD PRO 68 11.597 -4.311 -0.216 542 HD3 PRO 68 3HD PRO 68 11.420 -4.647 -1.954 543 H ASP 69 H ASP 69 8.119 -8.184 0.133 544 HA ASP 69 HA ASP 69 6.587 -8.801 1.641 545 HB2 ASP 69 2HB ASP 69 8.962 -9.024 3.525 546 HB3 ASP 69 3HB ASP 69 7.363 -9.711 3.826 547 H SER 70 H SER 70 6.962 -6.083 1.225 548 HA SER 70 HA SER 70 5.639 -4.914 3.536 549 HB2 SER 70 2HB SER 70 7.309 -2.980 3.549 550 HB3 SER 70 3HB SER 70 7.951 -4.505 4.161 551 HG SER 70 HG SER 70 8.589 -4.740 1.770 552 H ILE 71 H ILE 71 4.853 -2.714 2.999 553 HA ILE 71 HA ILE 71 4.501 -2.172 0.093 554 HB ILE 71 HB ILE 71 2.504 -1.620 2.346 555 HG12 ILE 71 2HG1 ILE 71 2.353 -3.755 0.165 556 HG13 ILE 71 3HG1 ILE 71 2.754 -4.062 1.851 557 HG21 ILE 71 1HG2 ILE 71 2.316 0.028 0.529 558 HG22 ILE 71 2HG2 ILE 71 0.897 -1.020 0.568 559 HG23 ILE 71 3HG2 ILE 71 2.147 -1.274 -0.654 560 HD11 ILE 71 3HD1 ILE 71 0.479 -4.659 1.390 561 HD12 ILE 71 1HD1 ILE 71 0.126 -3.031 0.810 562 HD13 ILE 71 2HD1 ILE 71 0.535 -3.297 2.508 563 H THR 72 H THR 72 4.562 0.073 -0.457 564 HA THR 72 HA THR 72 5.186 2.065 1.619 565 HB THR 72 HB THR 72 6.771 1.769 -0.980 566 HG1 THR 72 HG1 THR 72 7.208 0.840 1.631 567 HG21 THR 72 3HG2 THR 72 8.292 3.452 0.009 568 HG22 THR 72 1HG2 THR 72 7.215 3.611 1.395 569 HG23 THR 72 2HG2 THR 72 6.666 4.108 -0.209 570 H VAL 73 H VAL 73 3.632 3.605 1.413 571 HA VAL 73 HA VAL 73 2.276 4.019 -1.199 572 HB VAL 73 HB VAL 73 1.179 4.485 1.622 573 HG11 VAL 73 1HG1 VAL 73 -1.007 4.885 0.547 574 HG12 VAL 73 2HG1 VAL 73 -0.259 4.723 -1.045 575 HG13 VAL 73 3HG1 VAL 73 0.198 6.061 0.012 576 HG21 VAL 73 3HG2 VAL 73 1.375 2.076 1.151 577 HG22 VAL 73 1HG2 VAL 73 0.459 2.278 -0.348 578 HG23 VAL 73 2HG2 VAL 73 -0.321 2.564 1.212 579 H THR 74 H THR 74 2.036 6.132 -1.926 580 HA THR 74 HA THR 74 3.360 8.313 -0.429 581 HB THR 74 HB THR 74 2.816 8.044 -3.421 582 HG1 THR 74 HG1 THR 74 5.383 8.187 -2.236 583 HG21 THR 74 3HG2 THR 74 4.183 10.084 -3.692 584 HG22 THR 74 1HG2 THR 74 4.307 10.241 -1.936 585 HG23 THR 74 2HG2 THR 74 2.740 10.413 -2.730 586 H LYS 75 H LYS 75 2.213 10.180 -0.029 587 HA LYS 75 HA LYS 75 -0.690 10.190 -0.335 588 HB2 LYS 75 2HB LYS 75 -0.629 12.161 1.154 589 HB3 LYS 75 3HB LYS 75 0.298 10.833 1.846 590 HG2 LYS 75 2HG LYS 75 2.389 11.940 0.948 591 HG3 LYS 75 3HG LYS 75 1.387 13.314 0.478 592 HD2 LYS 75 2HD LYS 75 2.512 13.755 2.612 593 HD3 LYS 75 3HD LYS 75 0.764 13.678 2.841 594 HE2 LYS 75 2HE LYS 75 0.958 11.417 3.743 595 HE3 LYS 75 3HE LYS 75 2.690 11.406 3.408 596 HZ1 LYS 75 3HZ LYS 75 3.070 13.013 5.058 597 HZ2 LYS 75 1HZ LYS 75 2.032 11.879 5.757 598 HZ3 LYS 75 2HZ LYS 75 1.428 13.369 5.232 599 H GLU 76 H GLU 76 -1.831 12.044 -1.258 600 HA GLU 76 HA GLU 76 -0.900 12.876 -3.793 601 HB2 GLU 76 2HB GLU 76 -3.153 14.086 -2.134 602 HB3 GLU 76 3HB GLU 76 -2.905 14.333 -3.864 603 HG2 GLU 76 2HG GLU 76 -3.333 11.955 -4.286 604 HG3 GLU 76 3HG GLU 76 -3.523 11.667 -2.556 605 H ASN 77 H ASN 77 -1.250 14.669 -0.764 606 HA ASN 77 HA ASN 77 0.815 16.600 -1.574 607 HB2 ASN 77 2HB ASN 77 -0.563 18.474 -0.671 608 HB3 ASN 77 3HB ASN 77 -1.318 17.724 -2.069 609 HD21 ASN 77 1HD2 ASN 77 -3.222 16.514 -1.786 610 HD22 ASN 77 2HD2 ASN 77 -4.166 16.622 -0.340 611 H GLU 78 H GLU 78 1.815 17.661 0.289 612 HA GLU 78 HA GLU 78 2.336 15.709 2.313 613 HB2 GLU 78 2HB GLU 78 4.037 17.386 3.153 614 HB3 GLU 78 3HB GLU 78 4.230 16.855 1.495 615 HG2 GLU 78 2HG GLU 78 4.718 19.161 1.493 616 HG3 GLU 78 3HG GLU 78 3.125 19.005 0.761 617 H GLU 79 H GLU 79 0.036 18.172 2.184 618 HA GLU 79 HA GLU 79 -0.123 18.838 4.972 619 HB2 GLU 79 2HB GLU 79 -1.141 20.050 2.831 620 HB3 GLU 79 3HB GLU 79 -2.515 18.994 3.104 621 HG2 GLU 79 2HG GLU 79 -1.403 20.998 5.094 622 HG3 GLU 79 3HG GLU 79 -2.791 21.276 4.050 623 H LEU 80 H LEU 80 -1.393 16.267 2.915 624 HA LEU 80 HA LEU 80 -3.367 15.175 4.598 625 HB2 LEU 80 2HB LEU 80 -1.580 13.891 2.502 626 HB3 LEU 80 3HB LEU 80 -2.905 13.042 3.286 627 HG LEU 80 HG LEU 80 -3.221 15.523 1.556 628 HD11 LEU 80 1HD1 LEU 80 -2.481 13.663 0.202 629 HD12 LEU 80 2HD1 LEU 80 -4.179 14.000 -0.125 630 HD13 LEU 80 3HD1 LEU 80 -3.731 12.620 0.884 631 HD21 LEU 80 3HD2 LEU 80 -5.625 15.013 1.619 632 HD22 LEU 80 1HD2 LEU 80 -4.992 15.349 3.231 633 HD23 LEU 80 2HD2 LEU 80 -5.321 13.682 2.742 634 H ASP 81 H ASP 81 -3.145 14.234 6.484 635 HA ASP 81 HA ASP 81 -0.560 13.291 7.473 636 HB2 ASP 81 2HB ASP 81 -1.934 14.643 8.992 637 HB3 ASP 81 3HB ASP 81 -3.273 13.507 8.839 638 H TRP 82 H TRP 82 -0.091 11.165 8.051 639 HA TRP 82 HA TRP 82 -1.266 9.167 6.399 640 HB2 TRP 82 2HB TRP 82 0.960 9.122 8.450 641 HB3 TRP 82 3HB TRP 82 0.339 7.604 7.806 642 HD1 TRP 82 HD1 TRP 82 3.101 9.842 7.140 643 HE1 TRP 82 HE1 TRP 82 3.916 9.652 4.703 644 HE3 TRP 82 HE3 TRP 82 -0.934 7.395 5.094 645 HZ2 TRP 82 HZ2 TRP 82 2.971 8.621 2.251 646 HZ3 TRP 82 HZ3 TRP 82 -0.887 6.854 2.695 647 HH2 TRP 82 HH2 TRP 82 1.027 7.457 1.306 648 H ASN 83 H ASN 83 -1.804 10.067 9.760 649 HA ASN 83 HA ASN 83 -2.909 7.560 10.612 650 HB2 ASN 83 2HB ASN 83 -3.202 10.308 11.891 651 HB3 ASN 83 3HB ASN 83 -3.717 8.789 12.621 652 HD21 ASN 83 1HD2 ASN 83 -0.953 10.716 11.655 653 HD22 ASN 83 2HD2 ASN 83 0.208 9.861 12.611 654 H LEU 84 H LEU 84 -4.156 10.197 8.790 655 HA LEU 84 HA LEU 84 -6.967 9.765 9.200 656 HB2 LEU 84 2HB LEU 84 -5.553 10.901 6.748 657 HB3 LEU 84 3HB LEU 84 -7.260 11.085 7.138 658 HG LEU 84 HG LEU 84 -4.928 12.302 8.669 659 HD11 LEU 84 1HD1 LEU 84 -5.732 14.453 7.813 660 HD12 LEU 84 2HD1 LEU 84 -6.974 13.628 6.867 661 HD13 LEU 84 3HD1 LEU 84 -5.265 13.367 6.506 662 HD21 LEU 84 3HD2 LEU 84 -7.911 12.628 9.167 663 HD22 LEU 84 1HD2 LEU 84 -6.619 13.522 9.979 664 HD23 LEU 84 2HD2 LEU 84 -6.760 11.782 10.206 665 H LEU 85 H LEU 85 -4.582 8.725 6.800 666 HA LEU 85 HA LEU 85 -6.350 7.023 5.305 667 HB2 LEU 85 2HB LEU 85 -3.326 7.325 5.273 668 HB3 LEU 85 3HB LEU 85 -4.207 6.258 4.196 669 HG LEU 85 HG LEU 85 -5.472 8.413 3.430 670 HD11 LEU 85 1HD1 LEU 85 -3.042 9.759 4.601 671 HD12 LEU 85 2HD1 LEU 85 -4.703 9.921 5.170 672 HD13 LEU 85 3HD1 LEU 85 -4.265 10.512 3.568 673 HD21 LEU 85 3HD2 LEU 85 -2.574 7.976 2.659 674 HD22 LEU 85 1HD2 LEU 85 -3.761 8.885 1.719 675 HD23 LEU 85 2HD2 LEU 85 -3.979 7.156 1.975 676 H LYS 86 H LYS 86 -4.177 6.476 8.059 677 HA LYS 86 HA LYS 86 -3.495 3.843 7.737 678 HB2 LYS 86 2HB LYS 86 -3.891 5.418 10.270 679 HB3 LYS 86 3HB LYS 86 -3.421 3.725 10.338 680 HG2 LYS 86 2HG LYS 86 -1.384 4.212 9.066 681 HG3 LYS 86 3HG LYS 86 -1.853 5.909 8.937 682 HD2 LYS 86 2HD LYS 86 -1.825 6.024 11.468 683 HD3 LYS 86 3HD LYS 86 -1.156 4.389 11.476 684 HE2 LYS 86 2HE LYS 86 0.831 5.173 10.283 685 HE3 LYS 86 3HE LYS 86 0.137 6.794 10.147 686 HZ1 LYS 86 3HZ LYS 86 0.862 5.417 12.682 687 HZ2 LYS 86 1HZ LYS 86 0.159 6.947 12.568 688 HZ3 LYS 86 2HZ LYS 86 1.714 6.689 11.966 689 HA PRO 87 HA PRO 87 -7.400 2.161 10.237 690 HB2 PRO 87 2HB PRO 87 -9.478 4.231 9.545 691 HB3 PRO 87 3HB PRO 87 -9.228 3.345 11.066 692 HG2 PRO 87 2HG PRO 87 -8.559 5.903 10.912 693 HG3 PRO 87 3HG PRO 87 -7.513 4.750 11.774 694 HD2 PRO 87 2HD PRO 87 -7.163 5.884 8.999 695 HD3 PRO 87 3HD PRO 87 -5.957 5.677 10.286 696 H ASP 88 H ASP 88 -7.804 4.036 7.296 697 HA ASP 88 HA ASP 88 -9.610 2.278 5.941 698 HB2 ASP 88 2HB ASP 88 -7.830 4.555 4.965 699 HB3 ASP 88 3HB ASP 88 -9.031 3.764 3.959 700 H ILE 89 H ILE 89 -6.102 2.825 5.775 701 HA ILE 89 HA ILE 89 -5.482 1.014 3.683 702 HB ILE 89 HB ILE 89 -3.718 2.252 5.846 703 HG12 ILE 89 2HG1 ILE 89 -4.020 2.885 2.874 704 HG13 ILE 89 3HG1 ILE 89 -4.649 3.852 4.200 705 HG21 ILE 89 1HG2 ILE 89 -2.761 0.633 3.457 706 HG22 ILE 89 2HG2 ILE 89 -2.664 0.135 5.146 707 HG23 ILE 89 3HG2 ILE 89 -1.727 1.519 4.583 708 HD11 ILE 89 3HD1 ILE 89 -2.338 4.307 4.920 709 HD12 ILE 89 1HD1 ILE 89 -2.683 4.875 3.287 710 HD13 ILE 89 2HD1 ILE 89 -1.746 3.400 3.524 711 H TYR 90 H TYR 90 -5.595 0.729 7.186 712 HA TYR 90 HA TYR 90 -4.554 -1.890 7.447 713 HB2 TYR 90 2HB TYR 90 -6.225 -0.149 9.293 714 HB3 TYR 90 3HB TYR 90 -5.777 -1.795 9.733 715 HD1 TYR 90 HD2 TYR 90 -3.443 0.519 7.908 716 HD2 TYR 90 HD1 TYR 90 -4.509 -1.181 11.686 717 HE1 TYR 90 HE2 TYR 90 -1.344 1.351 8.871 718 HE2 TYR 90 HE1 TYR 90 -2.407 -0.351 12.641 719 HH TYR 90 HH TYR 90 -0.441 1.934 11.113 720 H ALA 91 H ALA 91 -7.887 -0.599 7.360 721 HA ALA 91 HA ALA 91 -9.303 -3.003 7.544 722 HB1 ALA 91 3HB ALA 91 -10.104 -0.486 6.042 723 HB2 ALA 91 1HB ALA 91 -10.362 -0.790 7.761 724 HB3 ALA 91 2HB ALA 91 -11.200 -1.774 6.557 725 H THR 92 H THR 92 -8.057 -1.324 4.662 726 HA THR 92 HA THR 92 -9.040 -2.981 2.633 727 HB THR 92 HB THR 92 -6.551 -1.226 2.709 728 HG1 THR 92 HG1 THR 92 -8.748 -0.295 2.917 729 HG21 THR 92 3HG2 THR 92 -6.582 -1.269 0.246 730 HG22 THR 92 1HG2 THR 92 -7.895 -2.439 0.271 731 HG23 THR 92 2HG2 THR 92 -6.305 -2.888 0.898 732 H ILE 93 H ILE 93 -5.788 -3.006 4.119 733 HA ILE 93 HA ILE 93 -4.767 -5.171 2.591 734 HB ILE 93 HB ILE 93 -3.767 -3.929 5.191 735 HG12 ILE 93 2HG1 ILE 93 -2.780 -3.588 2.319 736 HG13 ILE 93 3HG1 ILE 93 -3.772 -2.424 3.191 737 HG21 ILE 93 1HG2 ILE 93 -2.893 -6.222 5.032 738 HG22 ILE 93 2HG2 ILE 93 -1.601 -5.048 4.779 739 HG23 ILE 93 3HG2 ILE 93 -2.302 -5.900 3.401 740 HD11 ILE 93 3HD1 ILE 93 -0.958 -3.243 3.895 741 HD12 ILE 93 1HD1 ILE 93 -1.957 -2.109 4.808 742 HD13 ILE 93 2HD1 ILE 93 -1.471 -1.725 3.158 743 H MET 94 H MET 94 -5.972 -5.011 5.972 744 HA MET 94 HA MET 94 -5.456 -7.717 6.603 745 HB2 MET 94 2HB MET 94 -7.449 -5.812 7.901 746 HB3 MET 94 3HB MET 94 -6.953 -7.362 8.575 747 HG2 MET 94 2HG MET 94 -4.591 -6.494 8.644 748 HG3 MET 94 3HG MET 94 -5.208 -4.920 8.151 749 HE1 MET 94 3HE MET 94 -8.028 -4.865 9.850 750 HE2 MET 94 1HE MET 94 -6.951 -3.471 9.723 751 HE3 MET 94 2HE MET 94 -7.489 -4.032 11.305 752 H ASP 95 H ASP 95 -8.410 -6.117 5.341 753 HA ASP 95 HA ASP 95 -10.112 -8.355 5.211 754 HB2 ASP 95 2HB ASP 95 -10.861 -6.007 4.870 755 HB3 ASP 95 3HB ASP 95 -10.002 -5.948 3.340 756 H PHE 96 H PHE 96 -7.770 -7.138 2.852 757 HA PHE 96 HA PHE 96 -8.308 -8.755 0.639 758 HB2 PHE 96 2HB PHE 96 -6.873 -6.760 0.534 759 HB3 PHE 96 3HB PHE 96 -5.688 -7.514 1.585 760 HD1 PHE 96 HD2 PHE 96 -7.131 -7.524 -1.821 761 HD2 PHE 96 HD1 PHE 96 -4.030 -9.071 0.687 762 HE1 PHE 96 HE2 PHE 96 -5.939 -8.362 -3.791 763 HE2 PHE 96 HE1 PHE 96 -2.845 -9.904 -1.299 764 HZ PHE 96 HZ PHE 96 -3.803 -9.549 -3.538 765 H PHE 97 H PHE 97 -5.943 -9.257 3.252 766 HA PHE 97 HA PHE 97 -5.079 -11.838 2.287 767 HB2 PHE 97 2HB PHE 97 -4.449 -10.278 4.813 768 HB3 PHE 97 3HB PHE 97 -3.812 -11.895 4.532 769 HD1 PHE 97 HD1 PHE 97 -3.613 -8.352 3.480 770 HD2 PHE 97 HD2 PHE 97 -2.079 -12.289 2.828 771 HE1 PHE 97 HE1 PHE 97 -1.721 -7.412 2.222 772 HE2 PHE 97 HE2 PHE 97 -0.192 -11.335 1.575 773 HZ PHE 97 HZ PHE 97 -0.013 -8.902 1.272 774 H ALA 98 H ALA 98 -7.457 -10.726 4.659 775 HA ALA 98 HA ALA 98 -7.960 -13.255 5.904 776 HB1 ALA 98 3HB ALA 98 -9.828 -10.870 5.635 777 HB2 ALA 98 1HB ALA 98 -8.658 -11.126 6.933 778 HB3 ALA 98 2HB ALA 98 -10.026 -12.226 6.753 779 H SER 99 H SER 99 -9.110 -11.742 2.963 780 HA SER 99 HA SER 99 -11.064 -13.785 2.323 781 HB2 SER 99 2HB SER 99 -11.216 -11.371 1.552 782 HB3 SER 99 3HB SER 99 -9.861 -11.680 0.468 783 HG SER 99 HG SER 99 -12.331 -13.091 0.460 784 H GLY 100 H GLY 100 -7.674 -13.215 1.831 785 HA2 GLY 100 2HA GLY 100 -5.996 -14.674 1.255 786 HA3 GLY 100 3HA GLY 100 -7.201 -15.924 0.973 787 H LEU 101 H LEU 101 -6.759 -12.726 -0.462 788 HA LEU 101 HA LEU 101 -7.063 -13.767 -3.168 789 HB2 LEU 101 2HB LEU 101 -6.672 -10.955 -2.080 790 HB3 LEU 101 3HB LEU 101 -6.898 -11.318 -3.786 791 HG LEU 101 HG LEU 101 -8.943 -11.892 -1.604 792 HD11 LEU 101 1HD1 LEU 101 -8.904 -9.653 -3.648 793 HD12 LEU 101 2HD1 LEU 101 -8.685 -9.494 -1.902 794 HD13 LEU 101 3HD1 LEU 101 -10.234 -10.029 -2.546 795 HD21 LEU 101 3HD2 LEU 101 -10.492 -12.343 -3.466 796 HD22 LEU 101 1HD2 LEU 101 -9.132 -13.462 -3.467 797 HD23 LEU 101 2HD2 LEU 101 -9.176 -12.127 -4.623 798 HA PRO 102 HA PRO 102 -2.610 -13.899 -4.112 799 HB2 PRO 102 2HB PRO 102 -2.662 -13.380 -6.831 800 HB3 PRO 102 3HB PRO 102 -3.113 -14.955 -6.137 801 HG2 PRO 102 2HG PRO 102 -4.901 -12.696 -6.998 802 HG3 PRO 102 3HG PRO 102 -5.073 -14.439 -7.303 803 HD2 PRO 102 2HD PRO 102 -6.489 -13.217 -5.358 804 HD3 PRO 102 3HD PRO 102 -5.886 -14.879 -5.152 805 H LEU 103 H LEU 103 -1.127 -12.353 -3.737 806 HA LEU 103 HA LEU 103 -1.716 -9.662 -3.355 807 HB2 LEU 103 2HB LEU 103 0.198 -11.146 -2.414 808 HB3 LEU 103 3HB LEU 103 1.084 -10.740 -3.866 809 HG LEU 103 HG LEU 103 1.683 -9.428 -1.778 810 HD11 LEU 103 1HD1 LEU 103 1.947 -7.258 -2.844 811 HD12 LEU 103 2HD1 LEU 103 0.812 -7.723 -4.115 812 HD13 LEU 103 3HD1 LEU 103 2.352 -8.568 -3.953 813 HD21 LEU 103 3HD2 LEU 103 0.252 -7.613 -1.032 814 HD22 LEU 103 1HD2 LEU 103 -0.581 -9.159 -0.880 815 HD23 LEU 103 2HD2 LEU 103 -0.986 -8.067 -2.208 816 H VAL 104 H VAL 104 0.041 -11.232 -5.993 817 HA VAL 104 HA VAL 104 -0.543 -9.004 -7.838 818 HB VAL 104 HB VAL 104 2.125 -10.470 -7.531 819 HG11 VAL 104 1HG1 VAL 104 1.302 -8.529 -9.712 820 HG12 VAL 104 2HG1 VAL 104 1.607 -10.256 -9.916 821 HG13 VAL 104 3HG1 VAL 104 2.929 -9.175 -9.473 822 HG21 VAL 104 3HG2 VAL 104 3.093 -8.228 -7.166 823 HG22 VAL 104 1HG2 VAL 104 1.849 -8.582 -5.965 824 HG23 VAL 104 2HG2 VAL 104 1.491 -7.502 -7.314 825 H THR 105 H THR 105 -1.910 -9.871 -9.309 826 HA THR 105 HA THR 105 -2.223 -12.675 -9.798 827 HB THR 105 HB THR 105 -3.796 -11.899 -11.651 828 HG1 THR 105 HG1 THR 105 -3.918 -9.822 -12.149 829 HG21 THR 105 3HG2 THR 105 -5.499 -10.948 -10.137 830 HG22 THR 105 1HG2 THR 105 -4.255 -10.657 -8.914 831 HG23 THR 105 2HG2 THR 105 -4.667 -12.308 -9.381 832 H GLU 106 H GLU 106 -0.641 -10.023 -11.563 833 HA GLU 106 HA GLU 106 0.908 -11.962 -13.137 834 HB2 GLU 106 2HB GLU 106 0.575 -10.656 -15.249 835 HB3 GLU 106 3HB GLU 106 -0.905 -11.416 -14.674 836 HG2 GLU 106 2HG GLU 106 -1.743 -9.294 -13.840 837 HG3 GLU 106 3HG GLU 106 -0.215 -8.500 -14.216 838 H GLU 107 H GLU 107 3.030 -11.354 -13.297 839 HA GLU 107 HA GLU 107 3.782 -8.648 -12.353 840 HB2 GLU 107 2HB GLU 107 5.879 -9.737 -11.425 841 HB3 GLU 107 3HB GLU 107 4.383 -10.140 -10.595 842 HG2 GLU 107 2HG GLU 107 4.336 -12.338 -11.512 843 HG3 GLU 107 3HG GLU 107 5.585 -11.955 -12.696 Start of MODEL 13 1 H1 MET 1 1H MET 1 -14.792 -30.634 2.259 2 H2 MET 1 2H MET 1 -14.223 -32.042 1.513 3 H3 MET 1 3H MET 1 -13.608 -30.538 1.063 4 HA MET 1 HA MET 1 -13.316 -31.783 3.722 5 HB2 MET 1 2HB MET 1 -12.022 -32.808 1.720 6 HB3 MET 1 3HB MET 1 -11.119 -31.303 1.656 7 HG2 MET 1 2HG MET 1 -11.207 -33.183 4.036 8 HG3 MET 1 3HG MET 1 -9.918 -33.124 2.835 9 HE1 MET 1 3HE MET 1 -8.161 -31.634 6.001 10 HE2 MET 1 1HE MET 1 -8.047 -32.826 4.707 11 HE3 MET 1 2HE MET 1 -9.310 -32.970 5.934 12 H GLY 2 H GLY 2 -11.911 -29.321 1.530 13 HA2 GLY 2 2HA GLY 2 -11.813 -27.011 1.817 14 HA3 GLY 2 3HA GLY 2 -12.329 -27.181 3.489 15 H HIS 3 H HIS 3 -9.941 -25.851 2.051 16 HA HIS 3 HA HIS 3 -7.590 -27.155 3.062 17 HB2 HIS 3 2HB HIS 3 -6.336 -25.178 2.295 18 HB3 HIS 3 3HB HIS 3 -7.433 -25.740 1.048 19 HD1 HIS 3 HD1 HIS 3 -6.125 -22.826 1.429 20 HD2 HIS 3 HD2 HIS 3 -10.069 -23.893 2.162 21 HE1 HIS 3 HE1 HIS 3 -7.447 -20.708 1.231 22 HE2 HIS 3 HE2 HIS 3 -9.835 -21.416 1.507 23 H HIS 4 H HIS 4 -8.251 -27.515 5.175 24 HA HIS 4 HA HIS 4 -9.105 -25.568 7.038 25 HB2 HIS 4 2HB HIS 4 -8.905 -27.379 8.719 26 HB3 HIS 4 3HB HIS 4 -9.714 -27.938 7.265 27 HD1 HIS 4 HD1 HIS 4 -7.991 -29.563 9.546 28 HD2 HIS 4 HD2 HIS 4 -6.949 -28.858 5.586 29 HE1 HIS 4 HE1 HIS 4 -6.316 -31.335 8.956 30 HE2 HIS 4 HE2 HIS 4 -5.573 -30.763 6.633 31 H HIS 5 H HIS 5 -7.897 -24.006 7.958 32 HA HIS 5 HA HIS 5 -5.192 -24.668 8.923 33 HB2 HIS 5 2HB HIS 5 -4.328 -22.451 8.217 34 HB3 HIS 5 3HB HIS 5 -4.823 -23.432 6.846 35 HD1 HIS 5 HD1 HIS 5 -7.264 -22.757 5.830 36 HD2 HIS 5 HD2 HIS 5 -5.355 -19.907 8.180 37 HE1 HIS 5 HE1 HIS 5 -8.333 -20.572 5.244 38 HE2 HIS 5 HE2 HIS 5 -7.192 -18.872 6.692 39 H HIS 6 H HIS 6 -4.915 -24.201 10.964 40 HA HIS 6 HA HIS 6 -6.923 -22.677 12.468 41 HB2 HIS 6 2HB HIS 6 -4.649 -24.514 13.332 42 HB3 HIS 6 3HB HIS 6 -5.596 -23.578 14.480 43 HD1 HIS 6 HD1 HIS 6 -5.408 -26.765 14.215 44 HD2 HIS 6 HD2 HIS 6 -8.574 -24.346 13.044 45 HE1 HIS 6 HE1 HIS 6 -7.444 -28.223 14.324 46 HE2 HIS 6 HE2 HIS 6 -9.358 -26.699 13.747 47 H HIS 7 H HIS 7 -4.106 -21.952 10.864 48 HA HIS 7 HA HIS 7 -2.777 -20.253 12.721 49 HB2 HIS 7 2HB HIS 7 -2.645 -20.451 9.694 50 HB3 HIS 7 3HB HIS 7 -1.717 -19.251 10.583 51 HD1 HIS 7 HD1 HIS 7 -0.359 -21.428 8.869 52 HD2 HIS 7 HD2 HIS 7 -0.991 -21.745 12.965 53 HE1 HIS 7 HE1 HIS 7 1.368 -23.043 9.693 54 HE2 HIS 7 HE2 HIS 7 1.087 -23.059 12.189 55 H HIS 8 H HIS 8 -4.450 -19.052 13.657 56 HA HIS 8 HA HIS 8 -5.616 -16.834 12.152 57 HB2 HIS 8 2HB HIS 8 -5.715 -17.615 15.096 58 HB3 HIS 8 3HB HIS 8 -6.388 -16.101 14.499 59 HD1 HIS 8 HD1 HIS 8 -8.701 -16.174 13.599 60 HD2 HIS 8 HD2 HIS 8 -7.074 -19.974 13.974 61 HE1 HIS 8 HE1 HIS 8 -10.581 -17.762 13.141 62 HE2 HIS 8 HE2 HIS 8 -9.596 -20.049 13.459 63 H SER 9 H SER 9 -3.892 -15.730 11.402 64 HA SER 9 HA SER 9 -1.437 -15.276 12.671 65 HB2 SER 9 2HB SER 9 -2.741 -13.586 10.498 66 HB3 SER 9 3HB SER 9 -1.009 -13.735 10.831 67 HG SER 9 HG SER 9 -1.424 -16.083 10.394 68 H HIS 10 H HIS 10 -0.743 -13.723 14.078 69 HA HIS 10 HA HIS 10 -2.416 -11.605 15.086 70 HB2 HIS 10 2HB HIS 10 0.569 -12.167 15.391 71 HB3 HIS 10 3HB HIS 10 -0.249 -10.814 16.174 72 HD1 HIS 10 HD1 HIS 10 0.314 -14.476 16.466 73 HD2 HIS 10 HD2 HIS 10 -2.102 -11.591 18.225 74 HE1 HIS 10 HE1 HIS 10 -0.670 -15.565 18.502 75 HE2 HIS 10 HE2 HIS 10 -1.985 -13.739 19.628 76 H MET 11 H MET 11 -3.113 -10.599 13.245 77 HA MET 11 HA MET 11 -1.310 -9.767 11.119 78 HB2 MET 11 2HB MET 11 -3.563 -10.919 10.789 79 HB3 MET 11 3HB MET 11 -4.338 -9.448 11.350 80 HG2 MET 11 2HG MET 11 -4.482 -9.464 8.976 81 HG3 MET 11 3HG MET 11 -3.267 -8.257 9.385 82 HE1 MET 11 3HE MET 11 -1.059 -8.132 8.206 83 HE2 MET 11 1HE MET 11 -0.087 -9.530 7.750 84 HE3 MET 11 2HE MET 11 -0.456 -9.233 9.447 85 H PHE 12 H PHE 12 -0.344 -8.333 12.931 86 HA PHE 12 HA PHE 12 -1.654 -5.688 13.096 87 HB2 PHE 12 2HB PHE 12 0.646 -6.841 14.747 88 HB3 PHE 12 3HB PHE 12 -0.075 -5.249 14.969 89 HD1 PHE 12 HD2 PHE 12 -2.668 -5.204 15.460 90 HD2 PHE 12 HD1 PHE 12 -0.198 -8.658 16.029 91 HE1 PHE 12 HE2 PHE 12 -4.341 -6.162 16.991 92 HE2 PHE 12 HE1 PHE 12 -1.880 -9.603 17.551 93 HZ PHE 12 HZ PHE 12 -3.949 -8.359 18.032 94 H ILE 13 H ILE 13 -0.886 -4.144 11.844 95 HA ILE 13 HA ILE 13 1.493 -4.578 10.195 96 HB ILE 13 HB ILE 13 -0.687 -2.436 10.022 97 HG12 ILE 13 2HG1 ILE 13 -0.347 -4.966 8.342 98 HG13 ILE 13 3HG1 ILE 13 -1.534 -4.766 9.625 99 HG21 ILE 13 1HG2 ILE 13 0.195 -1.962 7.759 100 HG22 ILE 13 2HG2 ILE 13 1.484 -3.140 8.006 101 HG23 ILE 13 3HG2 ILE 13 1.427 -1.676 8.990 102 HD11 ILE 13 3HD1 ILE 13 -2.547 -4.498 7.461 103 HD12 ILE 13 1HD1 ILE 13 -1.429 -3.198 7.050 104 HD13 ILE 13 2HD1 ILE 13 -2.606 -2.979 8.350 105 H GLN 14 H GLN 14 3.327 -3.455 10.525 106 HA GLN 14 HA GLN 14 3.428 -1.328 12.587 107 HB2 GLN 14 2HB GLN 14 5.904 -1.844 12.650 108 HB3 GLN 14 3HB GLN 14 4.885 -3.189 13.148 109 HG2 GLN 14 2HG GLN 14 5.160 -4.224 10.916 110 HG3 GLN 14 3HG GLN 14 6.204 -2.889 10.433 111 HE21 GLN 14 1HE2 GLN 14 6.720 -5.818 10.659 112 HE22 GLN 14 2HE2 GLN 14 8.112 -5.944 11.676 113 H THR 15 H THR 15 4.325 0.650 12.065 114 HA THR 15 HA THR 15 4.572 1.280 9.192 115 HB THR 15 HB THR 15 4.178 3.649 9.915 116 HG1 THR 15 HG1 THR 15 4.970 3.415 12.081 117 HG21 THR 15 3HG2 THR 15 2.055 1.702 10.902 118 HG22 THR 15 1HG2 THR 15 2.234 2.281 9.241 119 HG23 THR 15 2HG2 THR 15 1.793 3.406 10.525 120 H GLN 16 H GLN 16 6.444 1.956 8.396 121 HA GLN 16 HA GLN 16 8.767 2.569 10.120 122 HB2 GLN 16 2HB GLN 16 9.016 0.309 9.153 123 HB3 GLN 16 3HB GLN 16 8.637 0.917 7.548 124 HG2 GLN 16 2HG GLN 16 11.027 0.494 7.737 125 HG3 GLN 16 3HG GLN 16 10.741 2.223 7.543 126 HE21 GLN 16 1HE2 GLN 16 11.744 -0.290 9.739 127 HE22 GLN 16 2HE2 GLN 16 12.458 0.743 10.926 128 H ASP 17 H ASP 17 9.644 4.523 9.627 129 HA ASP 17 HA ASP 17 8.511 6.196 7.607 130 HB2 ASP 17 2HB ASP 17 10.937 6.600 9.405 131 HB3 ASP 17 3HB ASP 17 10.304 7.842 8.326 132 H THR 18 H THR 18 9.598 7.180 5.873 133 HA THR 18 HA THR 18 11.791 5.627 4.610 134 HB THR 18 HB THR 18 10.722 6.058 2.412 135 HG1 THR 18 HG1 THR 18 8.552 7.189 3.857 136 HG21 THR 18 3HG2 THR 18 10.034 3.975 3.546 137 HG22 THR 18 1HG2 THR 18 8.707 4.640 2.587 138 HG23 THR 18 2HG2 THR 18 8.716 4.839 4.341 139 HA PRO 19 HA PRO 19 14.055 9.509 4.141 140 HB2 PRO 19 2HB PRO 19 14.708 9.575 1.390 141 HB3 PRO 19 3HB PRO 19 15.596 8.673 2.637 142 HG2 PRO 19 2HG PRO 19 13.472 7.689 0.758 143 HG3 PRO 19 3HG PRO 19 15.002 6.916 1.238 144 HD2 PRO 19 2HD PRO 19 12.704 6.111 2.321 145 HD3 PRO 19 3HD PRO 19 14.160 6.244 3.332 146 H ASN 20 H ASN 20 11.076 9.154 2.460 147 HA ASN 20 HA ASN 20 10.857 12.105 2.218 148 HB2 ASN 20 2HB ASN 20 9.388 9.986 0.573 149 HB3 ASN 20 3HB ASN 20 9.146 11.729 0.444 150 HD21 ASN 20 1HD2 ASN 20 10.851 13.012 -0.451 151 HD22 ASN 20 2HD2 ASN 20 12.077 12.306 -1.441 152 HA PRO 21 HA PRO 21 7.745 11.517 5.522 153 HB2 PRO 21 2HB PRO 21 6.655 14.064 5.459 154 HB3 PRO 21 3HB PRO 21 8.220 13.699 6.216 155 HG2 PRO 21 2HG PRO 21 7.686 14.784 3.455 156 HG3 PRO 21 3HG PRO 21 8.853 15.353 4.675 157 HD2 PRO 21 2HD PRO 21 9.663 13.791 2.646 158 HD3 PRO 21 3HD PRO 21 10.347 13.578 4.275 159 H ASN 22 H ASN 22 7.102 12.580 2.270 160 HA ASN 22 HA ASN 22 4.259 12.401 2.279 161 HB2 ASN 22 2HB ASN 22 6.280 12.408 -0.002 162 HB3 ASN 22 3HB ASN 22 4.531 12.433 -0.243 163 HD21 ASN 22 1HD2 ASN 22 4.554 14.435 -1.257 164 HD22 ASN 22 2HD2 ASN 22 4.875 15.911 -0.417 165 H SER 23 H SER 23 6.625 10.003 2.431 166 HA SER 23 HA SER 23 4.746 7.932 1.450 167 HB2 SER 23 2HB SER 23 6.757 8.262 -0.058 168 HB3 SER 23 3HB SER 23 7.797 7.794 1.290 169 HG SER 23 HG SER 23 7.102 6.118 -0.290 170 H LEU 24 H LEU 24 4.527 6.139 2.747 171 HA LEU 24 HA LEU 24 6.200 5.808 5.144 172 HB2 LEU 24 2HB LEU 24 4.122 7.093 5.773 173 HB3 LEU 24 3HB LEU 24 3.151 5.740 5.217 174 HG LEU 24 HG LEU 24 4.101 4.295 6.998 175 HD11 LEU 24 1HD1 LEU 24 5.654 6.743 7.878 176 HD12 LEU 24 2HD1 LEU 24 6.330 5.277 7.164 177 HD13 LEU 24 3HD1 LEU 24 5.553 5.206 8.742 178 HD21 LEU 24 3HD2 LEU 24 3.046 6.920 8.097 179 HD22 LEU 24 1HD2 LEU 24 3.056 5.365 8.939 180 HD23 LEU 24 2HD2 LEU 24 2.069 5.578 7.495 181 H LYS 25 H LYS 25 6.547 3.711 5.669 182 HA LYS 25 HA LYS 25 5.819 1.709 3.635 183 HB2 LYS 25 2HB LYS 25 8.211 2.355 3.962 184 HB3 LYS 25 3HB LYS 25 8.115 1.828 5.637 185 HG2 LYS 25 2HG LYS 25 7.758 -0.490 4.891 186 HG3 LYS 25 3HG LYS 25 7.822 0.037 3.202 187 HD2 LYS 25 2HD LYS 25 10.162 0.857 3.576 188 HD3 LYS 25 3HD LYS 25 10.088 0.263 5.238 189 HE2 LYS 25 2HE LYS 25 9.803 -2.031 4.399 190 HE3 LYS 25 3HE LYS 25 9.861 -1.438 2.738 191 HZ1 LYS 25 3HZ LYS 25 12.040 -1.410 4.739 192 HZ2 LYS 25 1HZ LYS 25 12.119 -0.586 3.266 193 HZ3 LYS 25 2HZ LYS 25 11.980 -2.264 3.282 194 H PHE 26 H PHE 26 4.167 0.429 4.301 195 HA PHE 26 HA PHE 26 3.638 -0.066 7.163 196 HB2 PHE 26 2HB PHE 26 1.865 -0.490 4.701 197 HB3 PHE 26 3HB PHE 26 1.372 -0.783 6.363 198 HD1 PHE 26 HD2 PHE 26 2.122 1.843 3.849 199 HD2 PHE 26 HD1 PHE 26 0.768 1.059 7.839 200 HE1 PHE 26 HE2 PHE 26 1.314 4.161 4.038 201 HE2 PHE 26 HE1 PHE 26 -0.035 3.372 8.007 202 HZ PHE 26 HZ PHE 26 0.235 4.926 6.117 203 H ILE 27 H ILE 27 4.943 -1.860 7.685 204 HA ILE 27 HA ILE 27 5.098 -4.167 5.898 205 HB ILE 27 HB ILE 27 6.333 -3.744 8.665 206 HG12 ILE 27 2HG1 ILE 27 8.543 -3.785 7.263 207 HG13 ILE 27 3HG1 ILE 27 7.511 -3.468 5.877 208 HG21 ILE 27 1HG2 ILE 27 6.808 -6.045 6.739 209 HG22 ILE 27 2HG2 ILE 27 5.927 -6.139 8.265 210 HG23 ILE 27 3HG2 ILE 27 7.657 -5.788 8.264 211 HD11 ILE 27 3HD1 ILE 27 6.786 -1.378 6.889 212 HD12 ILE 27 1HD1 ILE 27 8.542 -1.451 6.751 213 HD13 ILE 27 2HD1 ILE 27 7.772 -1.719 8.314 214 HA PRO 28 HA PRO 28 1.487 -5.830 8.254 215 HB2 PRO 28 2HB PRO 28 0.888 -7.869 6.524 216 HB3 PRO 28 3HB PRO 28 0.440 -6.182 6.186 217 HG2 PRO 28 2HG PRO 28 2.810 -7.731 5.157 218 HG3 PRO 28 3HG PRO 28 1.662 -6.708 4.258 219 HD2 PRO 28 2HD PRO 28 4.087 -5.771 5.028 220 HD3 PRO 28 3HD PRO 28 2.655 -4.719 4.975 221 H GLY 29 H GLY 29 4.447 -7.335 7.200 222 HA2 GLY 29 2HA GLY 29 5.835 -8.639 8.584 223 HA3 GLY 29 3HA GLY 29 4.436 -9.181 9.498 224 H LYS 30 H LYS 30 3.489 -9.417 6.364 225 HA LYS 30 HA LYS 30 4.389 -12.228 6.082 226 HB2 LYS 30 2HB LYS 30 1.843 -10.901 5.040 227 HB3 LYS 30 3HB LYS 30 2.324 -12.566 4.712 228 HG2 LYS 30 2HG LYS 30 2.266 -12.962 7.226 229 HG3 LYS 30 3HG LYS 30 1.501 -11.371 7.376 230 HD2 LYS 30 2HD LYS 30 -0.338 -12.141 5.873 231 HD3 LYS 30 3HD LYS 30 0.432 -13.724 5.755 232 HE2 LYS 30 2HE LYS 30 0.147 -13.981 8.231 233 HE3 LYS 30 3HE LYS 30 -0.746 -12.457 8.242 234 HZ1 LYS 30 3HZ LYS 30 -2.144 -14.494 8.139 235 HZ2 LYS 30 1HZ LYS 30 -1.527 -14.795 6.597 236 HZ3 LYS 30 2HZ LYS 30 -2.427 -13.397 6.886 237 HA PRO 31 HA PRO 31 6.431 -11.118 2.200 238 HB2 PRO 31 2HB PRO 31 5.527 -13.811 1.195 239 HB3 PRO 31 3HB PRO 31 7.168 -13.133 1.294 240 HG2 PRO 31 2HG PRO 31 6.411 -15.012 3.012 241 HG3 PRO 31 3HG PRO 31 7.401 -13.640 3.566 242 HD2 PRO 31 2HD PRO 31 4.422 -14.055 3.874 243 HD3 PRO 31 3HD PRO 31 5.609 -13.473 5.066 244 H VAL 32 H VAL 32 5.016 -9.504 1.554 245 HA VAL 32 HA VAL 32 2.626 -10.084 -0.012 246 HB VAL 32 HB VAL 32 2.502 -7.640 -0.390 247 HG11 VAL 32 1HG1 VAL 32 2.928 -8.416 2.520 248 HG12 VAL 32 2HG1 VAL 32 1.433 -8.582 1.593 249 HG13 VAL 32 3HG1 VAL 32 2.062 -6.980 1.967 250 HG21 VAL 32 3HG2 VAL 32 5.020 -7.396 1.294 251 HG22 VAL 32 1HG2 VAL 32 4.005 -6.050 0.763 252 HG23 VAL 32 2HG2 VAL 32 4.880 -7.021 -0.423 253 H LEU 33 H LEU 33 5.833 -8.725 -0.511 254 HA LEU 33 HA LEU 33 6.039 -10.357 -2.923 255 HB2 LEU 33 2HB LEU 33 7.271 -7.614 -2.435 256 HB3 LEU 33 3HB LEU 33 7.777 -8.704 -3.722 257 HG LEU 33 HG LEU 33 5.050 -7.357 -3.458 258 HD11 LEU 33 1HD1 LEU 33 6.850 -5.893 -4.197 259 HD12 LEU 33 2HD1 LEU 33 5.670 -6.181 -5.466 260 HD13 LEU 33 3HD1 LEU 33 7.234 -7.001 -5.520 261 HD21 LEU 33 3HD2 LEU 33 5.980 -9.302 -5.610 262 HD22 LEU 33 1HD2 LEU 33 4.485 -8.361 -5.641 263 HD23 LEU 33 2HD2 LEU 33 4.722 -9.594 -4.408 264 H GLU 34 H GLU 34 7.543 -11.733 -2.642 265 HA GLU 34 HA GLU 34 9.709 -11.436 -0.667 266 HB2 GLU 34 2HB GLU 34 8.175 -13.310 -0.177 267 HB3 GLU 34 3HB GLU 34 8.414 -13.962 -1.792 268 HG2 GLU 34 2HG GLU 34 9.681 -15.230 -0.100 269 HG3 GLU 34 3HG GLU 34 10.750 -14.472 -1.287 270 H THR 35 H THR 35 8.860 -12.133 -3.993 271 HA THR 35 HA THR 35 11.583 -13.001 -4.686 272 HB THR 35 HB THR 35 10.573 -13.654 -6.875 273 HG1 THR 35 HG1 THR 35 8.797 -12.644 -7.389 274 HG21 THR 35 3HG2 THR 35 9.000 -14.694 -4.486 275 HG22 THR 35 1HG2 THR 35 10.556 -15.319 -5.040 276 HG23 THR 35 2HG2 THR 35 9.122 -15.488 -6.057 277 H ARG 36 H ARG 36 9.856 -10.019 -4.689 278 HA ARG 36 HA ARG 36 11.658 -8.724 -6.535 279 HB2 ARG 36 2HB ARG 36 9.975 -8.120 -8.238 280 HB3 ARG 36 3HB ARG 36 10.170 -9.866 -8.141 281 HG2 ARG 36 2HG ARG 36 8.080 -10.117 -6.946 282 HG3 ARG 36 3HG ARG 36 7.915 -8.369 -6.759 283 HD2 ARG 36 2HD ARG 36 6.430 -9.162 -8.509 284 HD3 ARG 36 3HD ARG 36 7.688 -8.135 -9.203 285 HE ARG 36 HE ARG 36 8.315 -10.948 -9.288 286 HH11 ARG 36 1HH1 ARG 36 6.657 -8.354 -10.987 287 HH12 ARG 36 2HH1 ARG 36 6.721 -9.158 -12.523 288 HH21 ARG 36 1HH2 ARG 36 8.309 -12.033 -11.266 289 HH22 ARG 36 2HH2 ARG 36 7.664 -11.257 -12.680 290 H THR 37 H THR 37 10.618 -6.470 -7.189 291 HA THR 37 HA THR 37 8.860 -5.327 -5.097 292 HB THR 37 HB THR 37 9.969 -3.080 -5.612 293 HG1 THR 37 HG1 THR 37 11.889 -4.781 -6.870 294 HG21 THR 37 3HG2 THR 37 10.544 -4.277 -3.539 295 HG22 THR 37 1HG2 THR 37 11.963 -3.458 -4.198 296 HG23 THR 37 2HG2 THR 37 11.778 -5.203 -4.398 297 H MET 38 H MET 38 7.168 -3.968 -5.905 298 HA MET 38 HA MET 38 6.776 -3.878 -8.844 299 HB2 MET 38 2HB MET 38 4.702 -4.761 -6.779 300 HB3 MET 38 3HB MET 38 4.297 -4.318 -8.432 301 HG2 MET 38 2HG MET 38 6.141 -6.597 -7.684 302 HG3 MET 38 3HG MET 38 4.425 -6.775 -8.043 303 HE1 MET 38 3HE MET 38 3.839 -4.957 -10.520 304 HE2 MET 38 1HE MET 38 3.388 -6.662 -10.446 305 HE3 MET 38 2HE MET 38 4.241 -6.035 -11.856 306 H ASP 39 H ASP 39 7.038 -1.725 -9.145 307 HA ASP 39 HA ASP 39 5.879 0.249 -7.341 308 HB2 ASP 39 2HB ASP 39 8.137 0.637 -8.234 309 HB3 ASP 39 3HB ASP 39 7.536 0.516 -9.889 310 H PHE 40 H PHE 40 4.063 1.332 -7.710 311 HA PHE 40 HA PHE 40 2.785 1.397 -10.383 312 HB2 PHE 40 2HB PHE 40 1.296 0.970 -7.746 313 HB3 PHE 40 3HB PHE 40 0.555 1.138 -9.333 314 HD1 PHE 40 HD2 PHE 40 1.328 -0.644 -11.144 315 HD2 PHE 40 HD1 PHE 40 1.670 -1.219 -6.914 316 HE1 PHE 40 HE2 PHE 40 1.438 -3.078 -11.477 317 HE2 PHE 40 HE1 PHE 40 1.784 -3.652 -7.269 318 HZ PHE 40 HZ PHE 40 1.665 -4.583 -9.542 319 HA PRO 41 HA PRO 41 3.317 5.675 -8.651 320 HB2 PRO 41 2HB PRO 41 3.945 6.943 -10.988 321 HB3 PRO 41 3HB PRO 41 5.138 5.975 -10.092 322 HG2 PRO 41 2HG PRO 41 3.523 5.196 -12.505 323 HG3 PRO 41 3HG PRO 41 5.249 4.920 -12.172 324 HD2 PRO 41 2HD PRO 41 3.334 2.987 -11.787 325 HD3 PRO 41 3HD PRO 41 4.836 3.064 -10.840 326 H THR 42 H THR 42 1.314 4.465 -11.259 327 HA THR 42 HA THR 42 -0.661 6.637 -10.876 328 HB THR 42 HB THR 42 -1.328 6.232 -13.288 329 HG1 THR 42 HG1 THR 42 0.873 5.182 -14.284 330 HG21 THR 42 3HG2 THR 42 1.573 7.098 -12.950 331 HG22 THR 42 1HG2 THR 42 0.164 8.144 -12.748 332 HG23 THR 42 2HG2 THR 42 0.536 7.457 -14.330 333 HA PRO 43 HA PRO 43 -3.710 3.353 -9.955 334 HB2 PRO 43 2HB PRO 43 -5.541 5.091 -11.618 335 HB3 PRO 43 3HB PRO 43 -5.790 4.413 -9.993 336 HG2 PRO 43 2HG PRO 43 -5.214 6.998 -10.282 337 HG3 PRO 43 3HG PRO 43 -4.514 6.058 -8.945 338 HD2 PRO 43 2HD PRO 43 -3.204 6.964 -11.496 339 HD3 PRO 43 3HD PRO 43 -2.528 6.852 -9.854 340 H ALA 44 H ALA 44 -3.221 4.669 -13.197 341 HA ALA 44 HA ALA 44 -4.533 2.728 -14.758 342 HB1 ALA 44 3HB ALA 44 -2.136 4.436 -15.503 343 HB2 ALA 44 1HB ALA 44 -3.827 4.929 -15.619 344 HB3 ALA 44 2HB ALA 44 -3.221 3.619 -16.633 345 H ALA 45 H ALA 45 -1.309 2.744 -13.296 346 HA ALA 45 HA ALA 45 -0.304 0.464 -14.788 347 HB1 ALA 45 3HB ALA 45 1.209 2.263 -14.039 348 HB2 ALA 45 1HB ALA 45 1.681 0.712 -13.341 349 HB3 ALA 45 2HB ALA 45 0.828 1.904 -12.353 350 H ALA 46 H ALA 46 -2.161 0.960 -11.918 351 HA ALA 46 HA ALA 46 -1.271 -1.288 -10.372 352 HB1 ALA 46 3HB ALA 46 -3.739 0.433 -10.033 353 HB2 ALA 46 1HB ALA 46 -2.148 0.753 -9.338 354 HB3 ALA 46 2HB ALA 46 -3.063 -0.667 -8.827 355 H PHE 47 H PHE 47 -3.076 -1.339 -13.131 356 HA PHE 47 HA PHE 47 -5.342 -2.878 -12.561 357 HB2 PHE 47 2HB PHE 47 -5.524 -3.268 -14.945 358 HB3 PHE 47 3HB PHE 47 -4.954 -1.629 -14.689 359 HD1 PHE 47 HD1 PHE 47 -2.348 -1.259 -14.873 360 HD2 PHE 47 HD2 PHE 47 -4.372 -4.656 -16.490 361 HE1 PHE 47 HE1 PHE 47 -0.477 -1.637 -16.419 362 HE2 PHE 47 HE2 PHE 47 -2.494 -5.031 -18.028 363 HZ PHE 47 HZ PHE 47 -0.546 -3.527 -17.998 364 H ARG 48 H ARG 48 -2.064 -3.930 -12.526 365 HA ARG 48 HA ARG 48 -2.703 -6.736 -13.084 366 HB2 ARG 48 2HB ARG 48 -0.016 -5.490 -12.369 367 HB3 ARG 48 3HB ARG 48 -0.291 -7.124 -12.977 368 HG2 ARG 48 2HG ARG 48 -1.246 -6.057 -15.088 369 HG3 ARG 48 3HG ARG 48 -0.662 -4.508 -14.472 370 HD2 ARG 48 2HD ARG 48 0.986 -5.345 -16.008 371 HD3 ARG 48 3HD ARG 48 1.652 -5.511 -14.381 372 HE ARG 48 HE ARG 48 0.397 -7.775 -15.822 373 HH11 ARG 48 1HH1 ARG 48 3.133 -6.512 -13.988 374 HH12 ARG 48 2HH1 ARG 48 3.933 -8.049 -13.918 375 HH21 ARG 48 1HH2 ARG 48 1.436 -9.760 -15.692 376 HH22 ARG 48 2HH2 ARG 48 2.968 -9.894 -14.886 377 H SER 49 H SER 49 -3.030 -4.861 -10.385 378 HA SER 49 HA SER 49 -2.640 -7.120 -8.529 379 HB2 SER 49 2HB SER 49 -0.604 -5.810 -8.250 380 HB3 SER 49 3HB SER 49 -1.518 -4.305 -8.151 381 HG SER 49 HG SER 49 -1.094 -6.275 -6.231 382 HA PRO 50 HA PRO 50 -6.767 -5.591 -7.465 383 HB2 PRO 50 2HB PRO 50 -6.858 -7.524 -5.235 384 HB3 PRO 50 3HB PRO 50 -7.763 -7.552 -6.761 385 HG2 PRO 50 2HG PRO 50 -5.808 -9.363 -6.174 386 HG3 PRO 50 3HG PRO 50 -6.207 -8.862 -7.832 387 HD2 PRO 50 2HD PRO 50 -3.936 -7.939 -6.086 388 HD3 PRO 50 3HD PRO 50 -3.936 -8.335 -7.817 389 H LEU 51 H LEU 51 -4.266 -6.159 -4.995 390 HA LEU 51 HA LEU 51 -5.507 -4.664 -2.916 391 HB2 LEU 51 2HB LEU 51 -3.822 -6.453 -2.494 392 HB3 LEU 51 3HB LEU 51 -2.584 -5.446 -3.227 393 HG LEU 51 HG LEU 51 -2.921 -3.738 -1.410 394 HD11 LEU 51 1HD1 LEU 51 -4.214 -4.284 0.586 395 HD12 LEU 51 2HD1 LEU 51 -4.780 -5.779 -0.166 396 HD13 LEU 51 3HD1 LEU 51 -5.245 -4.216 -0.843 397 HD21 LEU 51 3HD2 LEU 51 -1.813 -4.957 0.379 398 HD22 LEU 51 1HD2 LEU 51 -1.152 -5.420 -1.189 399 HD23 LEU 51 2HD2 LEU 51 -2.271 -6.499 -0.353 400 H ALA 52 H ALA 52 -3.001 -3.950 -5.370 401 HA ALA 52 HA ALA 52 -2.276 -1.354 -4.550 402 HB1 ALA 52 3HB ALA 52 -1.041 -2.632 -6.258 403 HB2 ALA 52 1HB ALA 52 -1.473 -1.024 -6.844 404 HB3 ALA 52 2HB ALA 52 -2.386 -2.438 -7.384 405 H ARG 53 H ARG 53 -4.788 -2.440 -6.837 406 HA ARG 53 HA ARG 53 -5.946 -0.004 -7.541 407 HB2 ARG 53 2HB ARG 53 -7.100 -2.804 -7.284 408 HB3 ARG 53 3HB ARG 53 -8.077 -1.455 -7.853 409 HG2 ARG 53 2HG ARG 53 -6.651 -1.144 -9.785 410 HG3 ARG 53 3HG ARG 53 -5.501 -2.347 -9.192 411 HD2 ARG 53 2HD ARG 53 -7.021 -3.189 -11.010 412 HD3 ARG 53 3HD ARG 53 -7.087 -4.136 -9.524 413 HE ARG 53 HE ARG 53 -9.139 -2.455 -9.165 414 HH11 ARG 53 1HH1 ARG 53 -8.338 -4.417 -11.985 415 HH12 ARG 53 2HH1 ARG 53 -9.992 -4.589 -12.465 416 HH21 ARG 53 1HH2 ARG 53 -11.280 -2.728 -9.781 417 HH22 ARG 53 2HH2 ARG 53 -11.666 -3.631 -11.211 418 H GLN 54 H GLN 54 -6.603 -2.101 -4.737 419 HA GLN 54 HA GLN 54 -8.838 -0.648 -3.703 420 HB2 GLN 54 2HB GLN 54 -6.948 -2.646 -2.406 421 HB3 GLN 54 3HB GLN 54 -8.353 -1.973 -1.584 422 HG2 GLN 54 2HG GLN 54 -9.825 -2.963 -3.283 423 HG3 GLN 54 3HG GLN 54 -8.425 -3.635 -4.112 424 HE21 GLN 54 1HE2 GLN 54 -7.030 -4.414 -1.642 425 HE22 GLN 54 2HE2 GLN 54 -7.899 -5.771 -1.014 426 H LEU 55 H LEU 55 -5.358 -0.454 -3.211 427 HA LEU 55 HA LEU 55 -5.471 1.385 -1.012 428 HB2 LEU 55 2HB LEU 55 -3.189 0.676 -2.890 429 HB3 LEU 55 3HB LEU 55 -3.015 1.682 -1.458 430 HG LEU 55 HG LEU 55 -3.893 -1.239 -1.423 431 HD11 LEU 55 1HD1 LEU 55 -1.690 -1.756 -0.510 432 HD12 LEU 55 2HD1 LEU 55 -1.194 -0.072 -0.712 433 HD13 LEU 55 3HD1 LEU 55 -1.573 -1.061 -2.125 434 HD21 LEU 55 3HD2 LEU 55 -4.810 -0.016 0.480 435 HD22 LEU 55 1HD2 LEU 55 -3.205 0.596 0.898 436 HD23 LEU 55 2HD2 LEU 55 -3.556 -1.132 1.010 437 H PHE 56 H PHE 56 -5.223 1.742 -4.565 438 HA PHE 56 HA PHE 56 -5.025 4.600 -4.549 439 HB2 PHE 56 2HB PHE 56 -5.776 2.587 -6.696 440 HB3 PHE 56 3HB PHE 56 -5.921 4.314 -7.001 441 HD1 PHE 56 HD1 PHE 56 -3.774 5.753 -6.506 442 HD2 PHE 56 HD2 PHE 56 -3.689 1.537 -7.185 443 HE1 PHE 56 HE1 PHE 56 -1.419 5.890 -7.153 444 HE2 PHE 56 HE2 PHE 56 -1.319 1.697 -7.821 445 HZ PHE 56 HZ PHE 56 -0.187 3.875 -7.807 446 H ARG 57 H ARG 57 -7.706 2.448 -4.010 447 HA ARG 57 HA ARG 57 -9.843 4.309 -4.497 448 HB2 ARG 57 2HB ARG 57 -9.732 1.833 -2.732 449 HB3 ARG 57 3HB ARG 57 -11.197 2.766 -3.018 450 HG2 ARG 57 2HG ARG 57 -11.056 2.221 -5.436 451 HG3 ARG 57 3HG ARG 57 -9.613 1.250 -5.118 452 HD2 ARG 57 2HD ARG 57 -11.615 -0.180 -5.266 453 HD3 ARG 57 3HD ARG 57 -10.925 -0.236 -3.642 454 HE ARG 57 HE ARG 57 -13.366 1.271 -4.421 455 HH11 ARG 57 1HH1 ARG 57 -11.497 -0.343 -1.907 456 HH12 ARG 57 2HH1 ARG 57 -12.730 -0.163 -0.707 457 HH21 ARG 57 1HH2 ARG 57 -14.975 1.502 -2.823 458 HH22 ARG 57 2HH2 ARG 57 -14.701 0.881 -1.227 459 H ILE 58 H ILE 58 -7.496 4.006 -1.996 460 HA ILE 58 HA ILE 58 -9.049 5.138 0.180 461 HB ILE 58 HB ILE 58 -6.029 4.667 -0.043 462 HG12 ILE 58 2HG1 ILE 58 -8.201 2.906 1.172 463 HG13 ILE 58 3HG1 ILE 58 -7.304 2.567 -0.302 464 HG21 ILE 58 1HG2 ILE 58 -7.725 5.174 2.434 465 HG22 ILE 58 2HG2 ILE 58 -6.591 6.318 1.712 466 HG23 ILE 58 3HG2 ILE 58 -5.995 4.817 2.422 467 HD11 ILE 58 3HD1 ILE 58 -5.243 2.381 1.028 468 HD12 ILE 58 1HD1 ILE 58 -6.486 1.224 1.503 469 HD13 ILE 58 2HD1 ILE 58 -6.191 2.650 2.496 470 H GLU 59 H GLU 59 -9.411 7.252 0.341 471 HA GLU 59 HA GLU 59 -8.594 9.088 -1.628 472 HB2 GLU 59 2HB GLU 59 -9.857 9.653 1.085 473 HB3 GLU 59 3HB GLU 59 -9.789 10.774 -0.277 474 HG2 GLU 59 2HG GLU 59 -11.166 9.187 -1.620 475 HG3 GLU 59 3HG GLU 59 -11.277 8.126 -0.213 476 H GLY 60 H GLY 60 -6.545 9.718 -1.816 477 HA2 GLY 60 2HA GLY 60 -5.079 11.518 -0.849 478 HA3 GLY 60 3HA GLY 60 -4.992 10.506 0.584 479 H VAL 61 H VAL 61 -5.010 8.210 -1.670 480 HA VAL 61 HA VAL 61 -2.122 7.895 -1.552 481 HB VAL 61 HB VAL 61 -4.282 6.075 -2.712 482 HG11 VAL 61 1HG1 VAL 61 -2.552 4.297 -2.781 483 HG12 VAL 61 2HG1 VAL 61 -1.324 5.474 -2.308 484 HG13 VAL 61 3HG1 VAL 61 -2.145 5.633 -3.863 485 HG21 VAL 61 3HG2 VAL 61 -3.866 4.712 -0.675 486 HG22 VAL 61 1HG2 VAL 61 -4.446 6.333 -0.277 487 HG23 VAL 61 2HG2 VAL 61 -2.736 5.936 -0.095 488 H LYS 62 H LYS 62 -0.857 8.771 -2.997 489 HA LYS 62 HA LYS 62 -1.646 9.549 -5.685 490 HB2 LYS 62 2HB LYS 62 -0.122 10.945 -4.256 491 HB3 LYS 62 3HB LYS 62 1.087 9.679 -4.315 492 HG2 LYS 62 2HG LYS 62 1.702 11.402 -5.884 493 HG3 LYS 62 3HG LYS 62 1.203 9.978 -6.804 494 HD2 LYS 62 2HD LYS 62 -1.052 11.040 -7.135 495 HD3 LYS 62 3HD LYS 62 -0.469 12.475 -6.285 496 HE2 LYS 62 2HE LYS 62 0.665 11.369 -8.879 497 HE3 LYS 62 3HE LYS 62 -0.383 12.777 -8.727 498 HZ1 LYS 62 3HZ LYS 62 2.364 12.506 -7.632 499 HZ2 LYS 62 1HZ LYS 62 1.356 13.838 -7.377 500 HZ3 LYS 62 2HZ LYS 62 1.892 13.465 -8.936 501 H SER 63 H SER 63 0.378 7.137 -4.063 502 HA SER 63 HA SER 63 0.700 5.556 -6.484 503 HB2 SER 63 2HB SER 63 3.146 6.708 -5.060 504 HB3 SER 63 3HB SER 63 3.170 5.575 -6.414 505 HG SER 63 HG SER 63 1.775 7.457 -7.374 506 H VAL 64 H VAL 64 1.291 3.444 -6.074 507 HA VAL 64 HA VAL 64 1.642 2.558 -3.264 508 HB VAL 64 HB VAL 64 0.298 1.042 -5.566 509 HG11 VAL 64 1HG1 VAL 64 0.731 0.155 -2.684 510 HG12 VAL 64 2HG1 VAL 64 1.527 -0.519 -4.109 511 HG13 VAL 64 3HG1 VAL 64 -0.213 -0.719 -3.895 512 HG21 VAL 64 3HG2 VAL 64 -0.928 2.184 -3.029 513 HG22 VAL 64 1HG2 VAL 64 -1.775 1.217 -4.240 514 HG23 VAL 64 2HG2 VAL 64 -1.151 2.813 -4.665 515 H PHE 65 H PHE 65 3.474 1.460 -2.903 516 HA PHE 65 HA PHE 65 4.958 0.184 -5.122 517 HB2 PHE 65 2HB PHE 65 6.168 2.241 -4.502 518 HB3 PHE 65 3HB PHE 65 6.107 1.816 -2.797 519 HD1 PHE 65 HD2 PHE 65 7.527 0.741 -6.089 520 HD2 PHE 65 HD1 PHE 65 7.867 0.484 -1.828 521 HE1 PHE 65 HE2 PHE 65 9.687 -0.412 -6.323 522 HE2 PHE 65 HE1 PHE 65 10.025 -0.667 -2.074 523 HZ PHE 65 HZ PHE 65 10.936 -1.118 -4.319 524 H PHE 66 H PHE 66 4.867 -1.958 -4.711 525 HA PHE 66 HA PHE 66 4.771 -2.953 -1.955 526 HB2 PHE 66 2HB PHE 66 4.614 -4.435 -4.614 527 HB3 PHE 66 3HB PHE 66 4.513 -5.201 -3.033 528 HD1 PHE 66 HD2 PHE 66 2.682 -3.818 -1.442 529 HD2 PHE 66 HD1 PHE 66 2.549 -4.323 -5.683 530 HE1 PHE 66 HE2 PHE 66 0.242 -3.504 -1.407 531 HE2 PHE 66 HE1 PHE 66 0.111 -4.009 -5.641 532 HZ PHE 66 HZ PHE 66 -1.046 -3.599 -3.505 533 H GLY 67 H GLY 67 6.422 -3.885 -1.004 534 HA2 GLY 67 2HA GLY 67 8.984 -4.385 -2.389 535 HA3 GLY 67 3HA GLY 67 8.906 -3.505 -0.862 536 HA PRO 68 HA PRO 68 9.428 -8.240 -0.231 537 HB2 PRO 68 2HB PRO 68 11.650 -8.016 1.447 538 HB3 PRO 68 3HB PRO 68 11.755 -8.205 -0.314 539 HG2 PRO 68 2HG PRO 68 11.942 -5.682 1.313 540 HG3 PRO 68 3HG PRO 68 12.949 -6.212 -0.056 541 HD2 PRO 68 2HD PRO 68 10.986 -4.413 -0.435 542 HD3 PRO 68 3HD PRO 68 11.321 -5.664 -1.656 543 H ASP 69 H ASP 69 7.619 -8.422 1.045 544 HA ASP 69 HA ASP 69 6.299 -8.715 2.851 545 HB2 ASP 69 2HB ASP 69 8.895 -8.265 4.381 546 HB3 ASP 69 3HB ASP 69 7.374 -8.673 5.176 547 H SER 70 H SER 70 6.933 -5.949 1.741 548 HA SER 70 HA SER 70 5.856 -4.295 3.953 549 HB2 SER 70 2HB SER 70 8.119 -3.483 2.069 550 HB3 SER 70 3HB SER 70 7.458 -2.536 3.404 551 HG SER 70 HG SER 70 8.614 -5.089 3.789 552 H ILE 71 H ILE 71 4.419 -2.737 3.293 553 HA ILE 71 HA ILE 71 3.830 -2.408 0.393 554 HB ILE 71 HB ILE 71 1.853 -2.387 2.741 555 HG12 ILE 71 2HG1 ILE 71 2.073 -4.389 0.446 556 HG13 ILE 71 3HG1 ILE 71 2.657 -4.677 2.080 557 HG21 ILE 71 1HG2 ILE 71 1.187 -0.751 1.038 558 HG22 ILE 71 2HG2 ILE 71 0.077 -2.122 1.026 559 HG23 ILE 71 3HG2 ILE 71 1.316 -1.981 -0.222 560 HD11 ILE 71 3HD1 ILE 71 -0.223 -4.227 1.303 561 HD12 ILE 71 1HD1 ILE 71 0.385 -4.540 2.932 562 HD13 ILE 71 2HD1 ILE 71 0.540 -5.771 1.682 563 H THR 72 H THR 72 4.736 -0.414 -0.033 564 HA THR 72 HA THR 72 4.774 1.674 2.024 565 HB THR 72 HB THR 72 6.296 1.524 -0.627 566 HG1 THR 72 HG1 THR 72 6.782 -0.166 0.995 567 HG21 THR 72 3HG2 THR 72 6.787 3.251 1.833 568 HG22 THR 72 1HG2 THR 72 6.099 3.825 0.310 569 HG23 THR 72 2HG2 THR 72 7.764 3.241 0.365 570 H VAL 73 H VAL 73 3.273 3.254 1.816 571 HA VAL 73 HA VAL 73 1.892 3.689 -0.771 572 HB VAL 73 HB VAL 73 0.905 4.254 2.076 573 HG11 VAL 73 1HG1 VAL 73 -1.274 4.767 1.039 574 HG12 VAL 73 2HG1 VAL 73 -0.571 4.537 -0.563 575 HG13 VAL 73 3HG1 VAL 73 -0.015 5.862 0.461 576 HG21 VAL 73 3HG2 VAL 73 0.024 2.072 0.141 577 HG22 VAL 73 1HG2 VAL 73 -0.718 2.414 1.708 578 HG23 VAL 73 2HG2 VAL 73 0.947 1.830 1.628 579 H THR 74 H THR 74 1.821 5.785 -1.544 580 HA THR 74 HA THR 74 3.200 7.926 -0.013 581 HB THR 74 HB THR 74 3.056 7.579 -3.044 582 HG1 THR 74 HG1 THR 74 4.808 6.617 -1.134 583 HG21 THR 74 3HG2 THR 74 3.262 9.958 -2.383 584 HG22 THR 74 1HG2 THR 74 4.755 9.376 -3.125 585 HG23 THR 74 2HG2 THR 74 4.655 9.560 -1.373 586 H LYS 75 H LYS 75 2.151 9.881 0.143 587 HA LYS 75 HA LYS 75 -0.695 10.000 -0.444 588 HB2 LYS 75 2HB LYS 75 -0.732 11.932 1.026 589 HB3 LYS 75 3HB LYS 75 0.259 10.695 1.792 590 HG2 LYS 75 2HG LYS 75 2.303 11.899 0.895 591 HG3 LYS 75 3HG LYS 75 1.225 13.186 0.351 592 HD2 LYS 75 2HD LYS 75 2.224 13.832 2.466 593 HD3 LYS 75 3HD LYS 75 0.501 13.546 2.715 594 HE2 LYS 75 2HE LYS 75 0.978 11.364 3.714 595 HE3 LYS 75 3HE LYS 75 2.697 11.543 3.359 596 HZ1 LYS 75 3HZ LYS 75 2.792 13.406 4.866 597 HZ2 LYS 75 1HZ LYS 75 2.176 12.051 5.666 598 HZ3 LYS 75 2HZ LYS 75 1.139 13.293 5.182 599 H GLU 76 H GLU 76 -1.618 12.020 -1.382 600 HA GLU 76 HA GLU 76 -0.457 12.642 -3.916 601 HB2 GLU 76 2HB GLU 76 -2.853 13.860 -2.491 602 HB3 GLU 76 3HB GLU 76 -2.426 14.169 -4.174 603 HG2 GLU 76 2HG GLU 76 -2.744 11.759 -4.687 604 HG3 GLU 76 3HG GLU 76 -3.205 11.476 -3.006 605 H ASN 77 H ASN 77 -1.216 14.678 -1.096 606 HA ASN 77 HA ASN 77 1.005 16.482 -1.757 607 HB2 ASN 77 2HB ASN 77 -0.402 18.478 -1.331 608 HB3 ASN 77 3HB ASN 77 -0.957 17.578 -2.733 609 HD21 ASN 77 1HD2 ASN 77 -2.368 19.502 -1.006 610 HD22 ASN 77 2HD2 ASN 77 -3.780 18.675 -0.447 611 H GLU 78 H GLU 78 1.468 17.972 0.056 612 HA GLU 78 HA GLU 78 2.116 16.372 2.323 613 HB2 GLU 78 2HB GLU 78 2.462 19.379 1.954 614 HB3 GLU 78 3HB GLU 78 3.324 18.360 3.108 615 HG2 GLU 78 2HG GLU 78 4.471 17.188 1.304 616 HG3 GLU 78 3HG GLU 78 3.524 18.049 0.091 617 H GLU 79 H GLU 79 -0.632 18.214 1.638 618 HA GLU 79 HA GLU 79 -1.510 19.202 4.128 619 HB2 GLU 79 2HB GLU 79 -2.520 19.807 1.948 620 HB3 GLU 79 3HB GLU 79 -3.073 18.151 1.722 621 HG2 GLU 79 2HG GLU 79 -4.472 18.486 3.854 622 HG3 GLU 79 3HG GLU 79 -4.080 20.201 3.714 623 H LEU 80 H LEU 80 -1.550 16.005 2.692 624 HA LEU 80 HA LEU 80 -3.686 14.922 4.306 625 HB2 LEU 80 2HB LEU 80 -1.704 13.591 2.426 626 HB3 LEU 80 3HB LEU 80 -3.145 12.830 3.094 627 HG LEU 80 HG LEU 80 -3.243 15.275 1.282 628 HD11 LEU 80 1HD1 LEU 80 -2.232 13.466 0.064 629 HD12 LEU 80 2HD1 LEU 80 -3.881 13.706 -0.507 630 HD13 LEU 80 3HD1 LEU 80 -3.507 12.355 0.569 631 HD21 LEU 80 3HD2 LEU 80 -5.429 13.334 2.128 632 HD22 LEU 80 1HD2 LEU 80 -5.612 14.683 1.002 633 HD23 LEU 80 2HD2 LEU 80 -5.238 14.996 2.695 634 H ASP 81 H ASP 81 -3.356 14.288 6.292 635 HA ASP 81 HA ASP 81 -0.759 13.374 7.282 636 HB2 ASP 81 2HB ASP 81 -2.221 14.854 8.688 637 HB3 ASP 81 3HB ASP 81 -3.435 13.579 8.744 638 H TRP 82 H TRP 82 -0.378 11.262 8.088 639 HA TRP 82 HA TRP 82 -1.524 9.234 6.456 640 HB2 TRP 82 2HB TRP 82 0.625 9.190 8.588 641 HB3 TRP 82 3HB TRP 82 -0.005 7.675 7.948 642 HD1 TRP 82 HD1 TRP 82 2.806 9.894 7.318 643 HE1 TRP 82 HE1 TRP 82 3.717 9.630 4.928 644 HE3 TRP 82 HE3 TRP 82 -1.124 7.357 5.221 645 HZ2 TRP 82 HZ2 TRP 82 2.878 8.511 2.481 646 HZ3 TRP 82 HZ3 TRP 82 -0.984 6.733 2.851 647 HH2 TRP 82 HH2 TRP 82 0.974 7.298 1.513 648 H ASN 83 H ASN 83 -2.243 10.264 9.754 649 HA ASN 83 HA ASN 83 -3.520 7.896 10.669 650 HB2 ASN 83 2HB ASN 83 -3.917 10.798 11.493 651 HB3 ASN 83 3HB ASN 83 -4.833 9.490 12.229 652 HD21 ASN 83 1HD2 ASN 83 -1.909 11.214 12.263 653 HD22 ASN 83 2HD2 ASN 83 -1.100 10.285 13.462 654 H LEU 84 H LEU 84 -4.514 10.230 8.315 655 HA LEU 84 HA LEU 84 -7.355 9.777 8.470 656 HB2 LEU 84 2HB LEU 84 -5.699 10.919 6.185 657 HB3 LEU 84 3HB LEU 84 -7.448 11.032 6.348 658 HG LEU 84 HG LEU 84 -5.380 12.371 8.141 659 HD11 LEU 84 1HD1 LEU 84 -7.330 13.583 6.161 660 HD12 LEU 84 2HD1 LEU 84 -5.578 13.464 5.975 661 HD13 LEU 84 3HD1 LEU 84 -6.256 14.481 7.242 662 HD21 LEU 84 3HD2 LEU 84 -7.290 13.447 9.277 663 HD22 LEU 84 1HD2 LEU 84 -7.288 11.701 9.495 664 HD23 LEU 84 2HD2 LEU 84 -8.410 12.443 8.352 665 H LEU 85 H LEU 85 -4.698 8.574 6.433 666 HA LEU 85 HA LEU 85 -6.417 6.912 4.786 667 HB2 LEU 85 2HB LEU 85 -3.378 7.114 4.890 668 HB3 LEU 85 3HB LEU 85 -4.292 6.193 3.708 669 HG LEU 85 HG LEU 85 -5.376 8.485 3.050 670 HD11 LEU 85 1HD1 LEU 85 -4.002 10.482 3.403 671 HD12 LEU 85 2HD1 LEU 85 -2.913 9.554 4.442 672 HD13 LEU 85 3HD1 LEU 85 -4.588 9.816 4.928 673 HD21 LEU 85 3HD2 LEU 85 -3.888 7.249 1.573 674 HD22 LEU 85 1HD2 LEU 85 -2.475 7.931 2.379 675 HD23 LEU 85 2HD2 LEU 85 -3.563 8.975 1.461 676 H LYS 86 H LYS 86 -4.191 6.399 7.491 677 HA LYS 86 HA LYS 86 -3.566 3.756 7.352 678 HB2 LYS 86 2HB LYS 86 -3.979 5.523 9.749 679 HB3 LYS 86 3HB LYS 86 -3.550 3.831 9.975 680 HG2 LYS 86 2HG LYS 86 -1.490 4.166 8.684 681 HG3 LYS 86 3HG LYS 86 -1.905 5.871 8.449 682 HD2 LYS 86 2HD LYS 86 -1.829 6.239 10.893 683 HD3 LYS 86 3HD LYS 86 -1.464 4.530 11.152 684 HE2 LYS 86 2HE LYS 86 0.678 4.806 9.966 685 HE3 LYS 86 3HE LYS 86 0.303 6.506 9.671 686 HZ1 LYS 86 3HZ LYS 86 1.766 6.271 11.557 687 HZ2 LYS 86 1HZ LYS 86 0.675 5.245 12.338 688 HZ3 LYS 86 2HZ LYS 86 0.272 6.861 12.070 689 HA PRO 87 HA PRO 87 -7.592 2.387 9.969 690 HB2 PRO 87 2HB PRO 87 -9.533 4.348 8.725 691 HB3 PRO 87 3HB PRO 87 -9.526 3.645 10.360 692 HG2 PRO 87 2HG PRO 87 -8.754 6.154 10.010 693 HG3 PRO 87 3HG PRO 87 -7.866 5.098 11.134 694 HD2 PRO 87 2HD PRO 87 -7.108 5.939 8.346 695 HD3 PRO 87 3HD PRO 87 -6.089 5.766 9.789 696 H ASP 88 H ASP 88 -7.997 3.810 6.685 697 HA ASP 88 HA ASP 88 -9.524 1.590 5.684 698 HB2 ASP 88 2HB ASP 88 -9.483 4.060 4.797 699 HB3 ASP 88 3HB ASP 88 -8.070 3.558 3.879 700 H ILE 89 H ILE 89 -6.074 2.517 5.630 701 HA ILE 89 HA ILE 89 -5.170 0.643 3.700 702 HB ILE 89 HB ILE 89 -3.658 2.026 5.974 703 HG12 ILE 89 2HG1 ILE 89 -3.745 2.599 2.974 704 HG13 ILE 89 3HG1 ILE 89 -4.544 3.548 4.218 705 HG21 ILE 89 1HG2 ILE 89 -2.447 -0.043 5.394 706 HG22 ILE 89 2HG2 ILE 89 -1.545 1.372 4.850 707 HG23 ILE 89 3HG2 ILE 89 -2.462 0.411 3.687 708 HD11 ILE 89 3HD1 ILE 89 -2.561 4.663 3.449 709 HD12 ILE 89 1HD1 ILE 89 -1.566 3.257 3.831 710 HD13 ILE 89 2HD1 ILE 89 -2.348 4.167 5.127 711 H TYR 90 H TYR 90 -5.357 0.499 7.251 712 HA TYR 90 HA TYR 90 -4.297 -2.099 7.590 713 HB2 TYR 90 2HB TYR 90 -6.175 -0.532 9.414 714 HB3 TYR 90 3HB TYR 90 -5.308 -1.993 9.880 715 HD1 TYR 90 HD2 TYR 90 -2.654 -1.049 8.323 716 HD2 TYR 90 HD1 TYR 90 -5.191 0.757 11.260 717 HE1 TYR 90 HE2 TYR 90 -0.770 0.311 9.115 718 HE2 TYR 90 HE1 TYR 90 -3.303 2.117 12.047 719 HH TYR 90 HH TYR 90 -0.817 2.026 12.031 720 H ALA 91 H ALA 91 -7.650 -0.867 7.418 721 HA ALA 91 HA ALA 91 -9.084 -3.231 7.730 722 HB1 ALA 91 3HB ALA 91 -9.799 -0.859 5.967 723 HB2 ALA 91 1HB ALA 91 -10.125 -0.995 7.696 724 HB3 ALA 91 2HB ALA 91 -10.927 -2.083 6.561 725 H THR 92 H THR 92 -7.818 -1.778 4.751 726 HA THR 92 HA THR 92 -8.844 -3.571 2.865 727 HB THR 92 HB THR 92 -6.388 -1.764 2.687 728 HG1 THR 92 HG1 THR 92 -7.870 -0.266 2.541 729 HG21 THR 92 3HG2 THR 92 -7.980 -3.018 0.426 730 HG22 THR 92 1HG2 THR 92 -6.356 -3.509 0.914 731 HG23 THR 92 2HG2 THR 92 -6.629 -1.897 0.253 732 H ILE 93 H ILE 93 -5.601 -3.444 4.395 733 HA ILE 93 HA ILE 93 -4.495 -5.611 2.908 734 HB ILE 93 HB ILE 93 -3.543 -4.233 5.458 735 HG12 ILE 93 2HG1 ILE 93 -2.515 -4.000 2.587 736 HG13 ILE 93 3HG1 ILE 93 -3.589 -2.840 3.360 737 HG21 ILE 93 1HG2 ILE 93 -1.331 -5.304 5.110 738 HG22 ILE 93 2HG2 ILE 93 -2.006 -6.260 3.789 739 HG23 ILE 93 3HG2 ILE 93 -2.588 -6.500 5.437 740 HD11 ILE 93 3HD1 ILE 93 -1.319 -2.025 3.345 741 HD12 ILE 93 1HD1 ILE 93 -0.755 -3.465 4.193 742 HD13 ILE 93 2HD1 ILE 93 -1.837 -2.327 5.003 743 H MET 94 H MET 94 -5.688 -5.398 6.306 744 HA MET 94 HA MET 94 -5.153 -8.067 7.042 745 HB2 MET 94 2HB MET 94 -7.318 -6.218 8.125 746 HB3 MET 94 3HB MET 94 -6.797 -7.714 8.891 747 HG2 MET 94 2HG MET 94 -4.536 -6.733 9.191 748 HG3 MET 94 3HG MET 94 -5.123 -5.221 8.496 749 HE1 MET 94 3HE MET 94 -8.195 -5.302 9.827 750 HE2 MET 94 1HE MET 94 -7.233 -3.831 9.654 751 HE3 MET 94 2HE MET 94 -7.900 -4.270 11.225 752 H ASP 95 H ASP 95 -8.128 -6.569 5.739 753 HA ASP 95 HA ASP 95 -9.788 -8.836 5.617 754 HB2 ASP 95 2HB ASP 95 -10.695 -6.598 5.404 755 HB3 ASP 95 3HB ASP 95 -9.722 -6.269 3.980 756 H PHE 96 H PHE 96 -7.445 -7.562 3.297 757 HA PHE 96 HA PHE 96 -8.065 -9.175 1.059 758 HB2 PHE 96 2HB PHE 96 -6.687 -7.037 1.074 759 HB3 PHE 96 3HB PHE 96 -5.359 -7.947 1.776 760 HD1 PHE 96 HD2 PHE 96 -7.433 -7.479 -1.260 761 HD2 PHE 96 HD1 PHE 96 -3.960 -9.373 0.379 762 HE1 PHE 96 HE2 PHE 96 -6.673 -8.042 -3.520 763 HE2 PHE 96 HE1 PHE 96 -3.216 -9.930 -1.885 764 HZ PHE 96 HZ PHE 96 -4.564 -9.266 -3.840 765 H PHE 97 H PHE 97 -5.813 -9.554 3.738 766 HA PHE 97 HA PHE 97 -4.637 -12.036 2.857 767 HB2 PHE 97 2HB PHE 97 -4.523 -10.559 5.524 768 HB3 PHE 97 3HB PHE 97 -3.625 -12.037 5.192 769 HD1 PHE 97 HD1 PHE 97 -3.825 -9.708 2.348 770 HD2 PHE 97 HD2 PHE 97 -1.636 -10.677 5.901 771 HE1 PHE 97 HE1 PHE 97 -1.933 -8.370 1.551 772 HE2 PHE 97 HE2 PHE 97 0.246 -9.333 5.084 773 HZ PHE 97 HZ PHE 97 0.096 -8.180 2.921 774 H ALA 98 H ALA 98 -7.227 -11.054 5.019 775 HA ALA 98 HA ALA 98 -7.795 -13.584 6.197 776 HB1 ALA 98 3HB ALA 98 -8.539 -11.477 7.219 777 HB2 ALA 98 1HB ALA 98 -9.913 -12.542 6.916 778 HB3 ALA 98 2HB ALA 98 -9.606 -11.167 5.849 779 H SER 99 H SER 99 -8.667 -12.039 3.200 780 HA SER 99 HA SER 99 -10.680 -13.965 2.404 781 HB2 SER 99 2HB SER 99 -10.688 -11.574 1.623 782 HB3 SER 99 3HB SER 99 -9.196 -11.875 0.732 783 HG SER 99 HG SER 99 -11.307 -13.627 0.234 784 H GLY 100 H GLY 100 -7.227 -13.390 1.925 785 HA2 GLY 100 2HA GLY 100 -5.548 -14.858 1.338 786 HA3 GLY 100 3HA GLY 100 -6.744 -16.118 1.072 787 H LEU 101 H LEU 101 -6.678 -12.918 -0.402 788 HA LEU 101 HA LEU 101 -6.875 -14.004 -3.088 789 HB2 LEU 101 2HB LEU 101 -6.723 -11.125 -2.098 790 HB3 LEU 101 3HB LEU 101 -7.056 -11.597 -3.759 791 HG LEU 101 HG LEU 101 -8.837 -12.193 -1.366 792 HD11 LEU 101 1HD1 LEU 101 -8.878 -9.824 -1.948 793 HD12 LEU 101 2HD1 LEU 101 -10.407 -10.596 -2.358 794 HD13 LEU 101 3HD1 LEU 101 -9.242 -10.219 -3.632 795 HD21 LEU 101 3HD2 LEU 101 -9.274 -12.812 -4.306 796 HD22 LEU 101 1HD2 LEU 101 -10.477 -13.004 -3.025 797 HD23 LEU 101 2HD2 LEU 101 -9.013 -13.980 -3.006 798 HA PRO 102 HA PRO 102 -2.470 -13.680 -4.164 799 HB2 PRO 102 2HB PRO 102 -2.675 -13.047 -6.871 800 HB3 PRO 102 3HB PRO 102 -2.879 -14.692 -6.228 801 HG2 PRO 102 2HG PRO 102 -4.994 -12.684 -6.952 802 HG3 PRO 102 3HG PRO 102 -4.942 -14.429 -7.290 803 HD2 PRO 102 2HD PRO 102 -6.436 -13.450 -5.272 804 HD3 PRO 102 3HD PRO 102 -5.594 -15.009 -5.114 805 H LEU 103 H LEU 103 -1.188 -12.015 -3.681 806 HA LEU 103 HA LEU 103 -1.981 -9.453 -3.096 807 HB2 LEU 103 2HB LEU 103 0.187 -10.860 -2.503 808 HB3 LEU 103 3HB LEU 103 0.884 -10.047 -3.887 809 HG LEU 103 HG LEU 103 1.498 -8.985 -1.744 810 HD11 LEU 103 1HD1 LEU 103 1.463 -7.561 -3.728 811 HD12 LEU 103 2HD1 LEU 103 1.057 -6.654 -2.273 812 HD13 LEU 103 3HD1 LEU 103 -0.217 -7.129 -3.402 813 HD21 LEU 103 3HD2 LEU 103 -0.135 -7.816 -0.356 814 HD22 LEU 103 1HD2 LEU 103 -0.507 -9.536 -0.457 815 HD23 LEU 103 2HD2 LEU 103 -1.448 -8.373 -1.397 816 H VAL 104 H VAL 104 -0.186 -10.533 -5.921 817 HA VAL 104 HA VAL 104 -1.127 -8.224 -7.514 818 HB VAL 104 HB VAL 104 1.378 -9.915 -8.046 819 HG11 VAL 104 1HG1 VAL 104 2.031 -8.091 -9.561 820 HG12 VAL 104 2HG1 VAL 104 0.544 -7.221 -9.175 821 HG13 VAL 104 3HG1 VAL 104 0.467 -8.765 -10.026 822 HG21 VAL 104 3HG2 VAL 104 2.755 -8.057 -7.165 823 HG22 VAL 104 1HG2 VAL 104 1.713 -8.731 -5.906 824 HG23 VAL 104 2HG2 VAL 104 1.291 -7.197 -6.672 825 H THR 105 H THR 105 -2.555 -8.848 -9.096 826 HA THR 105 HA THR 105 -3.652 -11.411 -9.325 827 HB THR 105 HB THR 105 -3.841 -9.424 -11.636 828 HG1 THR 105 HG1 THR 105 -5.232 -8.178 -10.461 829 HG21 THR 105 3HG2 THR 105 -5.112 -11.552 -11.830 830 HG22 THR 105 1HG2 THR 105 -6.200 -10.164 -11.695 831 HG23 THR 105 2HG2 THR 105 -5.919 -11.205 -10.299 832 H GLU 106 H GLU 106 -1.135 -9.816 -11.164 833 HA GLU 106 HA GLU 106 -0.027 -12.339 -12.031 834 HB2 GLU 106 2HB GLU 106 0.146 -11.585 -14.453 835 HB3 GLU 106 3HB GLU 106 -1.478 -12.017 -13.933 836 HG2 GLU 106 2HG GLU 106 -2.130 -9.683 -13.774 837 HG3 GLU 106 3HG GLU 106 -0.475 -9.156 -14.073 838 H GLU 107 H GLU 107 2.134 -12.155 -11.911 839 HA GLU 107 HA GLU 107 3.331 -9.482 -11.548 840 HB2 GLU 107 2HB GLU 107 5.076 -10.573 -10.169 841 HB3 GLU 107 3HB GLU 107 3.471 -10.778 -9.495 842 HG2 GLU 107 2HG GLU 107 4.976 -12.924 -11.028 843 HG3 GLU 107 3HG GLU 107 4.961 -12.779 -9.276 Start of MODEL 14 1 H1 MET 1 1H MET 1 -20.556 2.953 31.784 2 H2 MET 1 2H MET 1 -19.805 1.532 32.297 3 H3 MET 1 3H MET 1 -19.955 1.856 30.647 4 HA MET 1 HA MET 1 -18.489 3.695 30.782 5 HB2 MET 1 2HB MET 1 -18.335 3.031 33.762 6 HB3 MET 1 3HB MET 1 -17.253 4.158 32.950 7 HG2 MET 1 2HG MET 1 -19.149 5.616 32.417 8 HG3 MET 1 3HG MET 1 -20.255 4.467 33.161 9 HE1 MET 1 3HE MET 1 -17.162 6.973 35.511 10 HE2 MET 1 1HE MET 1 -17.414 7.111 33.771 11 HE3 MET 1 2HE MET 1 -16.679 5.654 34.447 12 H GLY 2 H GLY 2 -16.995 2.733 29.529 13 HA2 GLY 2 2HA GLY 2 -14.775 1.328 30.430 14 HA3 GLY 2 3HA GLY 2 -15.946 0.111 29.920 15 H HIS 3 H HIS 3 -13.337 0.850 28.747 16 HA HIS 3 HA HIS 3 -14.117 0.910 25.974 17 HB2 HIS 3 2HB HIS 3 -12.733 2.881 25.342 18 HB3 HIS 3 3HB HIS 3 -14.082 3.323 26.369 19 HD1 HIS 3 HD1 HIS 3 -10.601 3.978 25.953 20 HD2 HIS 3 HD2 HIS 3 -13.136 3.666 29.236 21 HE1 HIS 3 HE1 HIS 3 -9.417 5.137 27.837 22 HE2 HIS 3 HE2 HIS 3 -10.963 4.927 29.811 23 H HIS 4 H HIS 4 -13.131 -1.155 27.146 24 HA HIS 4 HA HIS 4 -10.251 -1.356 26.570 25 HB2 HIS 4 2HB HIS 4 -11.048 -2.286 28.739 26 HB3 HIS 4 3HB HIS 4 -12.147 -3.360 27.883 27 HD1 HIS 4 HD1 HIS 4 -8.503 -2.868 28.685 28 HD2 HIS 4 HD2 HIS 4 -10.942 -5.698 26.852 29 HE1 HIS 4 HE1 HIS 4 -7.089 -4.922 28.420 30 HE2 HIS 4 HE2 HIS 4 -8.654 -6.673 27.516 31 H HIS 5 H HIS 5 -10.597 -1.081 24.293 32 HA HIS 5 HA HIS 5 -12.024 -3.149 22.791 33 HB2 HIS 5 2HB HIS 5 -10.370 -0.760 21.851 34 HB3 HIS 5 3HB HIS 5 -11.190 -1.885 20.771 35 HD1 HIS 5 HD1 HIS 5 -11.692 1.323 21.430 36 HD2 HIS 5 HD2 HIS 5 -14.130 -1.953 22.217 37 HE1 HIS 5 HE1 HIS 5 -14.032 2.226 21.574 38 HE2 HIS 5 HE2 HIS 5 -15.484 0.221 22.015 39 H HIS 6 H HIS 6 -10.934 -5.054 23.163 40 HA HIS 6 HA HIS 6 -8.030 -5.241 22.987 41 HB2 HIS 6 2HB HIS 6 -9.331 -6.483 24.752 42 HB3 HIS 6 3HB HIS 6 -10.117 -7.427 23.489 43 HD1 HIS 6 HD1 HIS 6 -6.692 -6.860 25.015 44 HD2 HIS 6 HD2 HIS 6 -8.675 -9.699 22.730 45 HE1 HIS 6 HE1 HIS 6 -5.121 -8.793 24.815 46 HE2 HIS 6 HE2 HIS 6 -6.367 -10.528 23.490 47 H HIS 7 H HIS 7 -10.219 -4.904 20.616 48 HA HIS 7 HA HIS 7 -10.264 -7.031 18.917 49 HB2 HIS 7 2HB HIS 7 -10.709 -5.517 17.055 50 HB3 HIS 7 3HB HIS 7 -11.521 -4.931 18.492 51 HD1 HIS 7 HD1 HIS 7 -10.590 -2.699 19.552 52 HD2 HIS 7 HD2 HIS 7 -8.875 -3.741 15.918 53 HE1 HIS 7 HE1 HIS 7 -9.379 -0.653 18.759 54 HE2 HIS 7 HE2 HIS 7 -8.307 -1.326 16.589 55 H HIS 8 H HIS 8 -8.658 -8.316 18.409 56 HA HIS 8 HA HIS 8 -5.975 -7.233 17.785 57 HB2 HIS 8 2HB HIS 8 -6.178 -8.776 19.775 58 HB3 HIS 8 3HB HIS 8 -6.722 -10.054 18.693 59 HD1 HIS 8 HD1 HIS 8 -3.691 -7.850 19.290 60 HD2 HIS 8 HD2 HIS 8 -4.654 -11.514 17.580 61 HE1 HIS 8 HE1 HIS 8 -1.497 -8.948 18.760 62 HE2 HIS 8 HE2 HIS 8 -2.119 -11.080 17.579 63 H SER 9 H SER 9 -5.588 -7.163 15.700 64 HA SER 9 HA SER 9 -6.970 -8.557 13.673 65 HB2 SER 9 2HB SER 9 -5.742 -6.425 13.246 66 HB3 SER 9 3HB SER 9 -4.208 -7.237 13.566 67 HG SER 9 HG SER 9 -5.819 -7.296 11.334 68 H HIS 10 H HIS 10 -6.425 -10.375 12.535 69 HA HIS 10 HA HIS 10 -4.648 -12.348 13.673 70 HB2 HIS 10 2HB HIS 10 -6.231 -12.389 11.058 71 HB3 HIS 10 3HB HIS 10 -5.417 -13.774 11.786 72 HD1 HIS 10 HD1 HIS 10 -8.570 -11.919 11.844 73 HD2 HIS 10 HD2 HIS 10 -6.587 -14.572 14.343 74 HE1 HIS 10 HE1 HIS 10 -10.295 -12.748 13.457 75 HE2 HIS 10 HE2 HIS 10 -9.017 -14.169 15.079 76 H MET 11 H MET 11 -4.388 -9.838 11.356 77 HA MET 11 HA MET 11 -1.651 -10.623 10.570 78 HB2 MET 11 2HB MET 11 -3.393 -8.254 9.711 79 HB3 MET 11 3HB MET 11 -1.799 -8.641 9.065 80 HG2 MET 11 2HG MET 11 -4.303 -10.326 8.766 81 HG3 MET 11 3HG MET 11 -3.547 -9.341 7.511 82 HE1 MET 11 3HE MET 11 -0.140 -11.277 6.985 83 HE2 MET 11 1HE MET 11 -0.419 -9.930 8.084 84 HE3 MET 11 2HE MET 11 -1.115 -9.904 6.462 85 H PHE 12 H PHE 12 -0.261 -8.345 10.567 86 HA PHE 12 HA PHE 12 -0.988 -6.479 12.657 87 HB2 PHE 12 2HB PHE 12 1.100 -6.612 13.957 88 HB3 PHE 12 3HB PHE 12 0.256 -8.146 14.021 89 HD1 PHE 12 HD2 PHE 12 1.164 -10.119 12.716 90 HD2 PHE 12 HD1 PHE 12 3.367 -6.461 13.080 91 HE1 PHE 12 HE2 PHE 12 3.225 -11.283 12.044 92 HE2 PHE 12 HE1 PHE 12 5.418 -7.639 12.403 93 HZ PHE 12 HZ PHE 12 5.350 -10.045 11.886 94 H ILE 13 H ILE 13 -0.596 -4.484 11.803 95 HA ILE 13 HA ILE 13 1.369 -4.301 9.611 96 HB ILE 13 HB ILE 13 -1.102 -2.555 10.001 97 HG12 ILE 13 2HG1 ILE 13 -0.618 -4.832 8.015 98 HG13 ILE 13 3HG1 ILE 13 -1.719 -4.891 9.388 99 HG21 ILE 13 1HG2 ILE 13 0.766 -1.388 8.860 100 HG22 ILE 13 2HG2 ILE 13 -0.547 -1.700 7.728 101 HG23 ILE 13 3HG2 ILE 13 0.900 -2.710 7.694 102 HD11 ILE 13 3HD1 ILE 13 -3.071 -3.134 8.367 103 HD12 ILE 13 1HD1 ILE 13 -2.917 -4.555 7.337 104 HD13 ILE 13 2HD1 ILE 13 -1.979 -3.106 6.979 105 H GLN 14 H GLN 14 3.134 -3.371 10.304 106 HA GLN 14 HA GLN 14 3.041 -1.233 12.367 107 HB2 GLN 14 2HB GLN 14 5.382 -1.979 12.959 108 HB3 GLN 14 3HB GLN 14 4.135 -3.173 13.305 109 HG2 GLN 14 2HG GLN 14 4.744 -4.316 11.138 110 HG3 GLN 14 3HG GLN 14 6.104 -3.200 11.001 111 HE21 GLN 14 1HE2 GLN 14 7.633 -4.876 11.117 112 HE22 GLN 14 2HE2 GLN 14 7.954 -5.727 12.585 113 H THR 15 H THR 15 4.312 0.569 12.013 114 HA THR 15 HA THR 15 4.807 1.103 9.149 115 HB THR 15 HB THR 15 4.503 3.543 9.838 116 HG1 THR 15 HG1 THR 15 4.882 3.365 12.055 117 HG21 THR 15 3HG2 THR 15 2.038 3.423 10.048 118 HG22 THR 15 1HG2 THR 15 2.155 1.695 10.396 119 HG23 THR 15 2HG2 THR 15 2.626 2.309 8.810 120 H GLN 16 H GLN 16 6.757 1.653 8.446 121 HA GLN 16 HA GLN 16 8.944 2.360 10.301 122 HB2 GLN 16 2HB GLN 16 9.017 1.086 7.524 123 HB3 GLN 16 3HB GLN 16 10.445 1.804 8.264 124 HG2 GLN 16 2HG GLN 16 10.294 0.189 10.113 125 HG3 GLN 16 3HG GLN 16 8.864 -0.528 9.373 126 HE21 GLN 16 1HE2 GLN 16 9.815 -2.546 9.156 127 HE22 GLN 16 2HE2 GLN 16 11.078 -2.879 8.028 128 H ASP 17 H ASP 17 9.526 4.439 10.195 129 HA ASP 17 HA ASP 17 8.358 6.270 8.316 130 HB2 ASP 17 2HB ASP 17 10.505 6.664 10.445 131 HB3 ASP 17 3HB ASP 17 9.839 7.970 9.465 132 H THR 18 H THR 18 9.574 7.611 6.882 133 HA THR 18 HA THR 18 11.953 6.344 5.691 134 HB THR 18 HB THR 18 10.928 6.941 3.420 135 HG1 THR 18 HG1 THR 18 9.281 8.350 4.510 136 HG21 THR 18 3HG2 THR 18 9.375 4.872 5.036 137 HG22 THR 18 1HG2 THR 18 10.902 4.584 4.196 138 HG23 THR 18 2HG2 THR 18 9.446 4.960 3.274 139 HA PRO 19 HA PRO 19 13.916 10.449 5.643 140 HB2 PRO 19 2HB PRO 19 14.318 9.718 2.718 141 HB3 PRO 19 3HB PRO 19 15.471 10.446 3.865 142 HG2 PRO 19 2HG PRO 19 15.638 7.856 3.338 143 HG3 PRO 19 3HG PRO 19 15.828 8.438 5.009 144 HD2 PRO 19 2HD PRO 19 13.494 7.023 3.765 145 HD3 PRO 19 3HD PRO 19 14.096 6.953 5.437 146 H ASN 20 H ASN 20 11.668 9.582 3.027 147 HA ASN 20 HA ASN 20 10.857 12.388 2.615 148 HB2 ASN 20 2HB ASN 20 10.051 9.865 1.087 149 HB3 ASN 20 3HB ASN 20 9.615 11.518 0.656 150 HD21 ASN 20 1HD2 ASN 20 11.140 9.502 -0.863 151 HD22 ASN 20 2HD2 ASN 20 12.638 10.262 -1.250 152 HA PRO 21 HA PRO 21 7.426 11.328 5.562 153 HB2 PRO 21 2HB PRO 21 6.772 14.230 5.194 154 HB3 PRO 21 3HB PRO 21 7.074 13.322 6.693 155 HG2 PRO 21 2HG PRO 21 8.894 15.045 5.786 156 HG3 PRO 21 3HG PRO 21 9.388 13.497 6.512 157 HD2 PRO 21 2HD PRO 21 9.202 14.217 3.581 158 HD3 PRO 21 3HD PRO 21 10.509 13.379 4.450 159 H ASN 22 H ASN 22 7.338 12.529 2.336 160 HA ASN 22 HA ASN 22 4.560 12.599 1.809 161 HB2 ASN 22 2HB ASN 22 6.799 11.789 -0.103 162 HB3 ASN 22 3HB ASN 22 5.185 12.322 -0.572 163 HD21 ASN 22 1HD2 ASN 22 4.609 14.545 -0.178 164 HD22 ASN 22 2HD2 ASN 22 5.843 15.749 -0.063 165 H SER 23 H SER 23 6.781 10.022 2.328 166 HA SER 23 HA SER 23 4.807 7.966 1.508 167 HB2 SER 23 2HB SER 23 6.822 6.465 1.140 168 HB3 SER 23 3HB SER 23 6.709 7.817 0.016 169 HG SER 23 HG SER 23 8.255 7.996 2.384 170 H LEU 24 H LEU 24 4.534 6.232 2.860 171 HA LEU 24 HA LEU 24 6.130 5.961 5.311 172 HB2 LEU 24 2HB LEU 24 4.040 7.210 5.873 173 HB3 LEU 24 3HB LEU 24 3.086 5.891 5.217 174 HG LEU 24 HG LEU 24 3.972 4.380 7.014 175 HD11 LEU 24 1HD1 LEU 24 5.299 6.873 8.124 176 HD12 LEU 24 2HD1 LEU 24 6.118 5.458 7.458 177 HD13 LEU 24 3HD1 LEU 24 5.178 5.310 8.940 178 HD21 LEU 24 3HD2 LEU 24 2.660 5.328 8.852 179 HD22 LEU 24 1HD2 LEU 24 1.827 5.520 7.311 180 HD23 LEU 24 2HD2 LEU 24 2.643 6.900 8.049 181 H LYS 25 H LYS 25 6.594 3.876 5.752 182 HA LYS 25 HA LYS 25 5.894 1.870 3.735 183 HB2 LYS 25 2HB LYS 25 8.274 2.343 4.192 184 HB3 LYS 25 3HB LYS 25 8.038 1.965 5.895 185 HG2 LYS 25 2HG LYS 25 7.575 -0.383 5.320 186 HG3 LYS 25 3HG LYS 25 7.784 -0.011 3.603 187 HD2 LYS 25 2HD LYS 25 10.132 0.579 3.974 188 HD3 LYS 25 3HD LYS 25 9.944 0.381 5.718 189 HE2 LYS 25 2HE LYS 25 9.504 -2.029 5.373 190 HE3 LYS 25 3HE LYS 25 9.743 -1.816 3.639 191 HZ1 LYS 25 3HZ LYS 25 12.015 -1.141 4.074 192 HZ2 LYS 25 1HZ LYS 25 11.719 -2.672 4.722 193 HZ3 LYS 25 2HZ LYS 25 11.786 -1.321 5.738 194 H PHE 26 H PHE 26 4.285 0.464 4.208 195 HA PHE 26 HA PHE 26 3.506 -0.113 7.000 196 HB2 PHE 26 2HB PHE 26 1.968 -0.481 4.387 197 HB3 PHE 26 3HB PHE 26 1.347 -0.883 5.983 198 HD1 PHE 26 HD2 PHE 26 2.185 1.898 3.677 199 HD2 PHE 26 HD1 PHE 26 0.589 0.868 7.518 200 HE1 PHE 26 HE2 PHE 26 1.274 4.172 3.919 201 HE2 PHE 26 HE1 PHE 26 -0.317 3.146 7.741 202 HZ PHE 26 HZ PHE 26 0.024 4.795 5.946 203 H ILE 27 H ILE 27 4.427 -1.973 7.717 204 HA ILE 27 HA ILE 27 5.072 -4.205 5.936 205 HB ILE 27 HB ILE 27 5.564 -3.804 8.933 206 HG12 ILE 27 2HG1 ILE 27 8.012 -3.878 8.271 207 HG13 ILE 27 3HG1 ILE 27 7.515 -3.895 6.586 208 HG21 ILE 27 1HG2 ILE 27 5.127 -6.195 8.532 209 HG22 ILE 27 2HG2 ILE 27 6.828 -5.941 8.922 210 HG23 ILE 27 3HG2 ILE 27 6.344 -6.218 7.249 211 HD11 ILE 27 3HD1 ILE 27 6.555 -1.671 6.846 212 HD12 ILE 27 1HD1 ILE 27 8.256 -1.700 7.302 213 HD13 ILE 27 2HD1 ILE 27 7.010 -1.666 8.551 214 HA PRO 28 HA PRO 28 0.768 -5.376 6.828 215 HB2 PRO 28 2HB PRO 28 0.568 -7.508 5.123 216 HB3 PRO 28 3HB PRO 28 0.657 -5.830 4.542 217 HG2 PRO 28 2HG PRO 28 2.884 -7.847 4.765 218 HG3 PRO 28 3HG PRO 28 2.449 -6.809 3.388 219 HD2 PRO 28 2HD PRO 28 4.442 -6.129 5.081 220 HD3 PRO 28 3HD PRO 28 3.388 -4.901 4.342 221 H GLY 29 H GLY 29 3.495 -7.410 7.466 222 HA2 GLY 29 2HA GLY 29 3.492 -8.664 9.565 223 HA3 GLY 29 3HA GLY 29 1.879 -9.244 9.165 224 H LYS 30 H LYS 30 1.840 -10.261 6.849 225 HA LYS 30 HA LYS 30 4.069 -12.172 6.547 226 HB2 LYS 30 2HB LYS 30 1.237 -12.195 5.390 227 HB3 LYS 30 3HB LYS 30 2.481 -13.378 4.984 228 HG2 LYS 30 2HG LYS 30 2.576 -14.073 7.364 229 HG3 LYS 30 3HG LYS 30 1.277 -12.935 7.738 230 HD2 LYS 30 2HD LYS 30 1.055 -15.294 5.815 231 HD3 LYS 30 3HD LYS 30 0.460 -15.279 7.477 232 HE2 LYS 30 2HE LYS 30 -1.115 -13.461 6.895 233 HE3 LYS 30 3HE LYS 30 -0.509 -13.461 5.238 234 HZ1 LYS 30 3HZ LYS 30 -2.583 -14.699 5.501 235 HZ2 LYS 30 1HZ LYS 30 -1.820 -15.775 6.554 236 HZ3 LYS 30 2HZ LYS 30 -1.330 -15.682 4.941 237 HA PRO 31 HA PRO 31 5.787 -9.983 3.025 238 HB2 PRO 31 2HB PRO 31 5.904 -12.711 1.713 239 HB3 PRO 31 3HB PRO 31 7.183 -11.487 1.884 240 HG2 PRO 31 2HG PRO 31 7.208 -13.620 3.457 241 HG3 PRO 31 3HG PRO 31 7.586 -12.015 4.130 242 HD2 PRO 31 2HD PRO 31 5.043 -13.612 4.382 243 HD3 PRO 31 3HD PRO 31 5.867 -12.602 5.594 244 H VAL 32 H VAL 32 5.338 -9.348 0.863 245 HA VAL 32 HA VAL 32 2.616 -10.003 -0.124 246 HB VAL 32 HB VAL 32 2.726 -7.629 -1.195 247 HG11 VAL 32 1HG1 VAL 32 1.799 -6.526 0.825 248 HG12 VAL 32 2HG1 VAL 32 2.445 -7.822 1.834 249 HG13 VAL 32 3HG1 VAL 32 1.183 -8.172 0.652 250 HG21 VAL 32 3HG2 VAL 32 5.087 -7.067 -0.798 251 HG22 VAL 32 1HG2 VAL 32 4.856 -7.196 0.949 252 HG23 VAL 32 2HG2 VAL 32 4.056 -5.906 0.043 253 H LEU 33 H LEU 33 5.743 -8.679 -1.021 254 HA LEU 33 HA LEU 33 5.917 -10.509 -3.296 255 HB2 LEU 33 2HB LEU 33 7.064 -7.703 -2.988 256 HB3 LEU 33 3HB LEU 33 7.538 -8.819 -4.263 257 HG LEU 33 HG LEU 33 4.765 -7.612 -3.881 258 HD11 LEU 33 1HD1 LEU 33 6.390 -6.012 -4.744 259 HD12 LEU 33 2HD1 LEU 33 5.200 -6.436 -5.970 260 HD13 LEU 33 3HD1 LEU 33 6.825 -7.126 -6.044 261 HD21 LEU 33 3HD2 LEU 33 4.559 -9.882 -4.764 262 HD22 LEU 33 1HD2 LEU 33 5.738 -9.528 -6.032 263 HD23 LEU 33 2HD2 LEU 33 4.174 -8.705 -6.015 264 H GLU 34 H GLU 34 7.922 -11.331 -3.538 265 HA GLU 34 HA GLU 34 10.104 -10.965 -1.669 266 HB2 GLU 34 2HB GLU 34 8.656 -12.539 -0.433 267 HB3 GLU 34 3HB GLU 34 8.557 -13.604 -1.823 268 HG2 GLU 34 2HG GLU 34 11.220 -13.036 -0.501 269 HG3 GLU 34 3HG GLU 34 10.125 -14.234 0.180 270 H THR 35 H THR 35 8.676 -12.893 -4.263 271 HA THR 35 HA THR 35 11.112 -13.765 -5.442 272 HB THR 35 HB THR 35 8.971 -14.957 -5.754 273 HG1 THR 35 HG1 THR 35 10.785 -14.810 -7.441 274 HG21 THR 35 3HG2 THR 35 7.240 -14.139 -7.304 275 HG22 THR 35 1HG2 THR 35 8.126 -12.631 -7.530 276 HG23 THR 35 2HG2 THR 35 7.429 -13.017 -5.955 277 H ARG 36 H ARG 36 9.301 -10.766 -5.756 278 HA ARG 36 HA ARG 36 11.270 -9.582 -7.519 279 HB2 ARG 36 2HB ARG 36 9.690 -8.995 -9.314 280 HB3 ARG 36 3HB ARG 36 9.794 -10.744 -9.135 281 HG2 ARG 36 2HG ARG 36 7.644 -10.760 -7.919 282 HG3 ARG 36 3HG ARG 36 7.542 -9.002 -8.063 283 HD2 ARG 36 2HD ARG 36 7.574 -10.962 -10.382 284 HD3 ARG 36 3HD ARG 36 6.137 -10.169 -9.729 285 HE ARG 36 HE ARG 36 7.980 -8.181 -10.431 286 HH11 ARG 36 1HH1 ARG 36 5.973 -10.586 -12.058 287 HH12 ARG 36 2HH1 ARG 36 5.843 -9.641 -13.507 288 HH21 ARG 36 1HH2 ARG 36 7.753 -6.993 -12.350 289 HH22 ARG 36 2HH2 ARG 36 6.838 -7.637 -13.673 290 H THR 37 H THR 37 10.310 -7.260 -8.206 291 HA THR 37 HA THR 37 8.754 -6.050 -5.984 292 HB THR 37 HB THR 37 10.072 -3.920 -6.407 293 HG1 THR 37 HG1 THR 37 11.813 -5.670 -7.846 294 HG21 THR 37 3HG2 THR 37 10.664 -5.346 -4.478 295 HG22 THR 37 1HG2 THR 37 12.099 -4.586 -5.172 296 HG23 THR 37 2HG2 THR 37 11.755 -6.285 -5.498 297 H MET 38 H MET 38 7.306 -4.363 -6.614 298 HA MET 38 HA MET 38 6.820 -3.920 -9.475 299 HB2 MET 38 2HB MET 38 4.734 -5.101 -7.579 300 HB3 MET 38 3HB MET 38 4.353 -4.439 -9.163 301 HG2 MET 38 2HG MET 38 5.686 -6.179 -10.244 302 HG3 MET 38 3HG MET 38 6.185 -6.808 -8.675 303 HE1 MET 38 3HE MET 38 2.622 -5.473 -9.621 304 HE2 MET 38 1HE MET 38 1.822 -6.952 -10.145 305 HE3 MET 38 2HE MET 38 3.128 -6.269 -11.111 306 H ASP 39 H ASP 39 6.930 -1.770 -9.552 307 HA ASP 39 HA ASP 39 5.819 -0.051 -7.444 308 HB2 ASP 39 2HB ASP 39 6.927 1.805 -8.575 309 HB3 ASP 39 3HB ASP 39 8.073 0.481 -8.425 310 H PHE 40 H PHE 40 4.099 1.283 -7.718 311 HA PHE 40 HA PHE 40 2.592 1.306 -10.271 312 HB2 PHE 40 2HB PHE 40 1.302 1.200 -7.504 313 HB3 PHE 40 3HB PHE 40 0.478 1.144 -9.058 314 HD1 PHE 40 HD2 PHE 40 0.935 -0.903 -10.589 315 HD2 PHE 40 HD1 PHE 40 1.955 -0.821 -6.427 316 HE1 PHE 40 HE2 PHE 40 1.027 -3.360 -10.550 317 HE2 PHE 40 HE1 PHE 40 2.051 -3.278 -6.418 318 HZ PHE 40 HZ PHE 40 1.582 -4.539 -8.467 319 HA PRO 41 HA PRO 41 3.509 5.652 -8.821 320 HB2 PRO 41 2HB PRO 41 4.172 6.694 -11.272 321 HB3 PRO 41 3HB PRO 41 5.338 5.812 -10.262 322 HG2 PRO 41 2HG PRO 41 3.771 4.818 -12.626 323 HG3 PRO 41 3HG PRO 41 5.479 4.543 -12.207 324 HD2 PRO 41 2HD PRO 41 3.516 2.691 -11.703 325 HD3 PRO 41 3HD PRO 41 4.981 2.837 -10.707 326 H THR 42 H THR 42 1.503 4.309 -11.339 327 HA THR 42 HA THR 42 -0.492 6.472 -11.029 328 HB THR 42 HB THR 42 -1.202 6.046 -13.380 329 HG1 THR 42 HG1 THR 42 1.049 4.652 -14.140 330 HG21 THR 42 3HG2 THR 42 0.709 7.041 -14.580 331 HG22 THR 42 1HG2 THR 42 1.778 6.653 -13.229 332 HG23 THR 42 2HG2 THR 42 0.483 7.833 -13.019 333 HA PRO 43 HA PRO 43 -3.307 3.074 -9.875 334 HB2 PRO 43 2HB PRO 43 -5.724 4.204 -10.674 335 HB3 PRO 43 3HB PRO 43 -4.884 4.632 -9.167 336 HG2 PRO 43 2HG PRO 43 -4.842 6.063 -11.814 337 HG3 PRO 43 3HG PRO 43 -5.022 6.736 -10.175 338 HD2 PRO 43 2HD PRO 43 -2.640 6.822 -11.443 339 HD3 PRO 43 3HD PRO 43 -2.726 6.533 -9.691 340 H ALA 44 H ALA 44 -2.765 4.180 -13.084 341 HA ALA 44 HA ALA 44 -4.477 2.381 -14.517 342 HB1 ALA 44 3HB ALA 44 -3.657 4.477 -15.524 343 HB2 ALA 44 1HB ALA 44 -3.179 3.087 -16.501 344 HB3 ALA 44 2HB ALA 44 -1.997 3.880 -15.455 345 H ALA 45 H ALA 45 -1.115 2.242 -13.361 346 HA ALA 45 HA ALA 45 -0.458 -0.266 -14.631 347 HB1 ALA 45 3HB ALA 45 1.280 1.408 -14.120 348 HB2 ALA 45 1HB ALA 45 1.629 -0.128 -13.321 349 HB3 ALA 45 2HB ALA 45 0.969 1.223 -12.393 350 H ALA 46 H ALA 46 -2.214 0.592 -11.844 351 HA ALA 46 HA ALA 46 -1.399 -1.360 -9.985 352 HB1 ALA 46 3HB ALA 46 -3.958 0.255 -10.062 353 HB2 ALA 46 1HB ALA 46 -2.426 0.771 -9.348 354 HB3 ALA 46 2HB ALA 46 -3.308 -0.595 -8.656 355 H PHE 47 H PHE 47 -3.372 -1.778 -12.744 356 HA PHE 47 HA PHE 47 -5.363 -3.545 -11.958 357 HB2 PHE 47 2HB PHE 47 -5.545 -4.254 -14.270 358 HB3 PHE 47 3HB PHE 47 -5.171 -2.538 -14.244 359 HD1 PHE 47 HD1 PHE 47 -2.622 -1.896 -14.549 360 HD2 PHE 47 HD2 PHE 47 -4.263 -5.686 -15.658 361 HE1 PHE 47 HE1 PHE 47 -0.720 -2.285 -16.061 362 HE2 PHE 47 HE2 PHE 47 -2.360 -6.063 -17.161 363 HZ PHE 47 HZ PHE 47 -0.584 -4.370 -17.366 364 H ARG 48 H ARG 48 -1.957 -4.211 -12.389 365 HA ARG 48 HA ARG 48 -2.005 -7.017 -12.658 366 HB2 ARG 48 2HB ARG 48 0.160 -5.154 -11.606 367 HB3 ARG 48 3HB ARG 48 0.418 -6.873 -11.903 368 HG2 ARG 48 2HG ARG 48 -0.081 -6.555 -14.281 369 HG3 ARG 48 3HG ARG 48 -0.374 -4.833 -14.009 370 HD2 ARG 48 2HD ARG 48 1.947 -4.477 -13.407 371 HD3 ARG 48 3HD ARG 48 2.270 -6.215 -13.411 372 HE ARG 48 HE ARG 48 1.749 -4.537 -15.790 373 HH11 ARG 48 1HH1 ARG 48 3.043 -7.491 -14.403 374 HH12 ARG 48 2HH1 ARG 48 3.757 -8.018 -15.890 375 HH21 ARG 48 1HH2 ARG 48 2.647 -5.270 -17.748 376 HH22 ARG 48 2HH2 ARG 48 3.531 -6.761 -17.785 377 H SER 49 H SER 49 -2.177 -4.949 -9.804 378 HA SER 49 HA SER 49 -2.245 -7.325 -8.031 379 HB2 SER 49 2HB SER 49 -0.196 -6.130 -7.524 380 HB3 SER 49 3HB SER 49 -1.031 -4.581 -7.497 381 HG SER 49 HG SER 49 -1.011 -6.641 -5.595 382 HA PRO 50 HA PRO 50 -6.512 -5.758 -7.362 383 HB2 PRO 50 2HB PRO 50 -6.299 -7.775 -5.121 384 HB3 PRO 50 3HB PRO 50 -7.597 -7.552 -6.317 385 HG2 PRO 50 2HG PRO 50 -5.909 -9.576 -6.592 386 HG3 PRO 50 3HG PRO 50 -6.418 -8.634 -8.012 387 HD2 PRO 50 2HD PRO 50 -3.805 -8.500 -6.515 388 HD3 PRO 50 3HD PRO 50 -4.107 -8.434 -8.267 389 H LEU 51 H LEU 51 -4.072 -6.286 -4.823 390 HA LEU 51 HA LEU 51 -5.344 -4.762 -2.787 391 HB2 LEU 51 2HB LEU 51 -3.671 -6.543 -2.320 392 HB3 LEU 51 3HB LEU 51 -2.423 -5.562 -3.065 393 HG LEU 51 HG LEU 51 -2.681 -3.850 -1.257 394 HD11 LEU 51 1HD1 LEU 51 -4.654 -5.777 -0.010 395 HD12 LEU 51 2HD1 LEU 51 -5.035 -4.206 -0.715 396 HD13 LEU 51 3HD1 LEU 51 -4.027 -4.298 0.726 397 HD21 LEU 51 3HD2 LEU 51 -1.669 -5.123 0.568 398 HD22 LEU 51 1HD2 LEU 51 -1.003 -5.611 -0.989 399 HD23 LEU 51 2HD2 LEU 51 -2.190 -6.639 -0.178 400 H ALA 52 H ALA 52 -3.016 -4.047 -5.356 401 HA ALA 52 HA ALA 52 -2.163 -1.483 -4.516 402 HB1 ALA 52 3HB ALA 52 -1.007 -2.764 -6.268 403 HB2 ALA 52 1HB ALA 52 -1.447 -1.153 -6.844 404 HB3 ALA 52 2HB ALA 52 -2.392 -2.561 -7.345 405 H ARG 53 H ARG 53 -4.791 -2.479 -6.750 406 HA ARG 53 HA ARG 53 -5.806 0.101 -7.272 407 HB2 ARG 53 2HB ARG 53 -7.121 -2.628 -7.447 408 HB3 ARG 53 3HB ARG 53 -7.979 -1.143 -7.856 409 HG2 ARG 53 2HG ARG 53 -5.870 -0.761 -9.443 410 HG3 ARG 53 3HG ARG 53 -5.751 -2.519 -9.337 411 HD2 ARG 53 2HD ARG 53 -7.068 -1.747 -11.307 412 HD3 ARG 53 3HD ARG 53 -8.019 -2.752 -10.209 413 HE ARG 53 HE ARG 53 -8.997 -0.670 -9.320 414 HH11 ARG 53 1HH1 ARG 53 -7.591 -0.492 -12.545 415 HH12 ARG 53 2HH1 ARG 53 -8.548 0.883 -13.003 416 HH21 ARG 53 1HH2 ARG 53 -10.194 1.133 -9.909 417 HH22 ARG 53 2HH2 ARG 53 -10.028 1.807 -11.505 418 H GLN 54 H GLN 54 -6.438 -2.165 -4.650 419 HA GLN 54 HA GLN 54 -8.735 -0.864 -3.552 420 HB2 GLN 54 2HB GLN 54 -6.709 -2.756 -2.304 421 HB3 GLN 54 3HB GLN 54 -8.183 -2.225 -1.496 422 HG2 GLN 54 2HG GLN 54 -9.552 -3.332 -3.175 423 HG3 GLN 54 3HG GLN 54 -8.115 -3.782 -4.095 424 HE21 GLN 54 1HE2 GLN 54 -10.106 -5.566 -3.024 425 HE22 GLN 54 2HE2 GLN 54 -9.298 -6.611 -1.910 426 H LEU 55 H LEU 55 -5.252 -0.521 -3.068 427 HA LEU 55 HA LEU 55 -5.434 1.372 -0.910 428 HB2 LEU 55 2HB LEU 55 -3.116 0.693 -2.762 429 HB3 LEU 55 3HB LEU 55 -2.987 1.764 -1.372 430 HG LEU 55 HG LEU 55 -3.712 -1.194 -1.240 431 HD11 LEU 55 1HD1 LEU 55 -1.515 -1.555 -0.245 432 HD12 LEU 55 2HD1 LEU 55 -1.113 0.152 -0.465 433 HD13 LEU 55 3HD1 LEU 55 -1.373 -0.884 -1.871 434 HD21 LEU 55 3HD2 LEU 55 -4.781 0.057 0.569 435 HD22 LEU 55 1HD2 LEU 55 -3.232 0.775 1.025 436 HD23 LEU 55 2HD2 LEU 55 -3.492 -0.964 1.199 437 H PHE 56 H PHE 56 -5.248 1.605 -4.447 438 HA PHE 56 HA PHE 56 -5.048 4.473 -4.540 439 HB2 PHE 56 2HB PHE 56 -5.592 2.341 -6.622 440 HB3 PHE 56 3HB PHE 56 -5.858 4.035 -7.023 441 HD1 PHE 56 HD1 PHE 56 -3.881 5.673 -6.636 442 HD2 PHE 56 HD2 PHE 56 -3.385 1.426 -6.845 443 HE1 PHE 56 HE1 PHE 56 -1.513 5.963 -7.202 444 HE2 PHE 56 HE2 PHE 56 -1.020 1.738 -7.404 445 HZ PHE 56 HZ PHE 56 -0.083 4.004 -7.585 446 H ARG 57 H ARG 57 -7.695 2.320 -3.972 447 HA ARG 57 HA ARG 57 -9.852 4.016 -4.711 448 HB2 ARG 57 2HB ARG 57 -9.608 1.834 -2.625 449 HB3 ARG 57 3HB ARG 57 -11.105 2.731 -2.849 450 HG2 ARG 57 2HG ARG 57 -11.160 1.945 -5.227 451 HG3 ARG 57 3HG ARG 57 -9.741 0.950 -4.887 452 HD2 ARG 57 2HD ARG 57 -11.816 -0.387 -4.734 453 HD3 ARG 57 3HD ARG 57 -10.997 -0.296 -3.174 454 HE ARG 57 HE ARG 57 -13.476 1.144 -3.926 455 HH11 ARG 57 1HH1 ARG 57 -11.313 0.008 -1.379 456 HH12 ARG 57 2HH1 ARG 57 -12.409 0.431 -0.109 457 HH21 ARG 57 1HH2 ARG 57 -14.868 1.708 -2.232 458 HH22 ARG 57 2HH2 ARG 57 -14.415 1.391 -0.592 459 H ILE 58 H ILE 58 -7.531 4.250 -2.181 460 HA ILE 58 HA ILE 58 -9.221 5.586 -0.225 461 HB ILE 58 HB ILE 58 -6.204 5.085 -0.172 462 HG12 ILE 58 2HG1 ILE 58 -8.449 3.365 0.994 463 HG13 ILE 58 3HG1 ILE 58 -7.500 2.961 -0.429 464 HG21 ILE 58 1HG2 ILE 58 -8.129 5.737 2.095 465 HG22 ILE 58 2HG2 ILE 58 -6.914 6.827 1.422 466 HG23 ILE 58 3HG2 ILE 58 -6.411 5.371 2.284 467 HD11 ILE 58 3HD1 ILE 58 -5.502 2.780 0.950 468 HD12 ILE 58 1HD1 ILE 58 -6.785 1.708 1.510 469 HD13 ILE 58 2HD1 ILE 58 -6.444 3.201 2.384 470 H GLU 59 H GLU 59 -9.634 7.681 -0.434 471 HA GLU 59 HA GLU 59 -8.430 9.379 -2.375 472 HB2 GLU 59 2HB GLU 59 -10.363 10.022 -0.109 473 HB3 GLU 59 3HB GLU 59 -9.951 11.130 -1.416 474 HG2 GLU 59 2HG GLU 59 -10.957 9.629 -3.062 475 HG3 GLU 59 3HG GLU 59 -11.278 8.425 -1.813 476 H GLY 60 H GLY 60 -6.284 9.581 -1.924 477 HA2 GLY 60 2HA GLY 60 -5.163 11.600 -0.522 478 HA3 GLY 60 3HA GLY 60 -5.237 10.308 0.674 479 H VAL 61 H VAL 61 -4.952 8.383 -1.700 480 HA VAL 61 HA VAL 61 -2.051 8.153 -1.545 481 HB VAL 61 HB VAL 61 -4.155 6.302 -2.750 482 HG11 VAL 61 1HG1 VAL 61 -1.205 5.763 -2.264 483 HG12 VAL 61 2HG1 VAL 61 -1.979 5.942 -3.840 484 HG13 VAL 61 3HG1 VAL 61 -2.392 4.571 -2.808 485 HG21 VAL 61 3HG2 VAL 61 -3.801 4.904 -0.728 486 HG22 VAL 61 1HG2 VAL 61 -4.394 6.514 -0.304 487 HG23 VAL 61 2HG2 VAL 61 -2.688 6.115 -0.088 488 H LYS 62 H LYS 62 -0.776 8.976 -3.061 489 HA LYS 62 HA LYS 62 -1.709 9.796 -5.700 490 HB2 LYS 62 2HB LYS 62 -0.185 11.223 -4.328 491 HB3 LYS 62 3HB LYS 62 1.058 9.989 -4.424 492 HG2 LYS 62 2HG LYS 62 1.535 11.784 -5.995 493 HG3 LYS 62 3HG LYS 62 1.162 10.300 -6.882 494 HD2 LYS 62 2HD LYS 62 -1.111 11.118 -7.353 495 HD3 LYS 62 3HD LYS 62 -0.822 12.557 -6.370 496 HE2 LYS 62 2HE LYS 62 0.690 11.864 -8.915 497 HE3 LYS 62 3HE LYS 62 -0.654 13.004 -8.813 498 HZ1 LYS 62 3HZ LYS 62 0.657 14.359 -7.304 499 HZ2 LYS 62 1HZ LYS 62 1.490 14.129 -8.756 500 HZ3 LYS 62 2HZ LYS 62 1.932 13.260 -7.381 501 H SER 63 H SER 63 0.486 7.464 -4.212 502 HA SER 63 HA SER 63 0.744 5.847 -6.597 503 HB2 SER 63 2HB SER 63 3.199 7.248 -5.424 504 HB3 SER 63 3HB SER 63 3.215 6.050 -6.724 505 HG SER 63 HG SER 63 1.637 7.744 -7.694 506 H VAL 64 H VAL 64 1.499 3.776 -6.066 507 HA VAL 64 HA VAL 64 2.175 3.219 -3.233 508 HB VAL 64 HB VAL 64 0.608 1.298 -5.020 509 HG11 VAL 64 1HG1 VAL 64 1.116 1.274 -2.025 510 HG12 VAL 64 2HG1 VAL 64 1.886 0.220 -3.216 511 HG13 VAL 64 3HG1 VAL 64 0.149 0.093 -2.917 512 HG21 VAL 64 3HG2 VAL 64 -0.827 3.253 -4.597 513 HG22 VAL 64 1HG2 VAL 64 -0.540 3.102 -2.861 514 HG23 VAL 64 2HG2 VAL 64 -1.421 1.838 -3.725 515 H PHE 65 H PHE 65 3.823 1.750 -2.944 516 HA PHE 65 HA PHE 65 5.109 0.495 -5.286 517 HB2 PHE 65 2HB PHE 65 6.541 2.364 -4.474 518 HB3 PHE 65 3HB PHE 65 6.504 1.704 -2.844 519 HD1 PHE 65 HD2 PHE 65 7.707 1.068 -6.309 520 HD2 PHE 65 HD1 PHE 65 8.069 -0.057 -2.195 521 HE1 PHE 65 HE2 PHE 65 9.668 -0.311 -6.855 522 HE2 PHE 65 HE1 PHE 65 10.029 -1.432 -2.758 523 HZ PHE 65 HZ PHE 65 10.827 -1.565 -5.083 524 H PHE 66 H PHE 66 4.888 -1.653 -5.103 525 HA PHE 66 HA PHE 66 4.734 -2.958 -2.474 526 HB2 PHE 66 2HB PHE 66 4.188 -3.889 -5.309 527 HB3 PHE 66 3HB PHE 66 4.429 -5.055 -4.017 528 HD1 PHE 66 HD2 PHE 66 2.527 -1.793 -3.957 529 HD2 PHE 66 HD1 PHE 66 2.344 -6.053 -3.709 530 HE1 PHE 66 HE2 PHE 66 0.141 -1.673 -3.391 531 HE2 PHE 66 HE1 PHE 66 -0.041 -5.906 -3.147 532 HZ PHE 66 HZ PHE 66 -1.139 -3.718 -2.989 533 H GLY 67 H GLY 67 6.453 -3.837 -1.587 534 HA2 GLY 67 2HA GLY 67 8.927 -4.320 -3.148 535 HA3 GLY 67 3HA GLY 67 8.930 -3.518 -1.579 536 HA PRO 68 HA PRO 68 9.379 -8.205 -1.081 537 HB2 PRO 68 2HB PRO 68 11.905 -8.271 -0.002 538 HB3 PRO 68 3HB PRO 68 11.610 -8.325 -1.751 539 HG2 PRO 68 2HG PRO 68 12.447 -5.992 -0.061 540 HG3 PRO 68 3HG PRO 68 12.990 -6.455 -1.688 541 HD2 PRO 68 2HD PRO 68 11.131 -4.480 -1.247 542 HD3 PRO 68 3HD PRO 68 11.186 -5.452 -2.730 543 H ASP 69 H ASP 69 8.229 -8.740 0.641 544 HA ASP 69 HA ASP 69 7.602 -9.280 2.716 545 HB2 ASP 69 2HB ASP 69 9.935 -9.338 3.443 546 HB3 ASP 69 3HB ASP 69 9.960 -7.593 3.651 547 H SER 70 H SER 70 7.638 -6.058 1.561 548 HA SER 70 HA SER 70 5.651 -5.144 3.501 549 HB2 SER 70 2HB SER 70 7.090 -3.096 4.014 550 HB3 SER 70 3HB SER 70 7.688 -4.617 4.683 551 HG SER 70 HG SER 70 9.038 -4.736 2.737 552 H ILE 71 H ILE 71 4.932 -2.901 3.010 553 HA ILE 71 HA ILE 71 4.912 -2.267 0.111 554 HB ILE 71 HB ILE 71 2.597 -1.814 2.069 555 HG12 ILE 71 2HG1 ILE 71 2.817 -3.986 -0.071 556 HG13 ILE 71 3HG1 ILE 71 2.942 -4.257 1.664 557 HG21 ILE 71 1HG2 ILE 71 2.680 -1.524 -0.961 558 HG22 ILE 71 2HG2 ILE 71 2.641 -0.198 0.203 559 HG23 ILE 71 3HG2 ILE 71 1.254 -1.280 0.051 560 HD11 ILE 71 3HD1 ILE 71 0.766 -4.893 0.862 561 HD12 ILE 71 1HD1 ILE 71 0.498 -3.284 0.189 562 HD13 ILE 71 2HD1 ILE 71 0.629 -3.502 1.937 563 H THR 72 H THR 72 4.925 -0.017 -0.325 564 HA THR 72 HA THR 72 5.169 1.905 1.909 565 HB THR 72 HB THR 72 6.835 1.953 -0.648 566 HG1 THR 72 HG1 THR 72 7.245 0.489 1.441 567 HG21 THR 72 3HG2 THR 72 6.923 3.778 1.789 568 HG22 THR 72 1HG2 THR 72 6.348 4.238 0.178 569 HG23 THR 72 2HG2 THR 72 8.048 3.837 0.432 570 H VAL 73 H VAL 73 3.561 3.401 1.738 571 HA VAL 73 HA VAL 73 2.206 3.825 -0.865 572 HB VAL 73 HB VAL 73 1.147 4.256 1.972 573 HG11 VAL 73 1HG1 VAL 73 -0.306 4.612 -0.675 574 HG12 VAL 73 2HG1 VAL 73 0.177 5.907 0.423 575 HG13 VAL 73 3HG1 VAL 73 -1.046 4.735 0.923 576 HG21 VAL 73 3HG2 VAL 73 -0.392 2.373 1.505 577 HG22 VAL 73 1HG2 VAL 73 1.295 1.857 1.403 578 HG23 VAL 73 2HG2 VAL 73 0.367 2.139 -0.073 579 H THR 74 H THR 74 2.040 5.911 -1.609 580 HA THR 74 HA THR 74 3.372 8.081 -0.088 581 HB THR 74 HB THR 74 3.130 7.798 -3.119 582 HG1 THR 74 HG1 THR 74 4.907 6.726 -1.360 583 HG21 THR 74 3HG2 THR 74 4.737 9.773 -1.445 584 HG22 THR 74 1HG2 THR 74 3.283 10.162 -2.385 585 HG23 THR 74 2HG2 THR 74 4.761 9.662 -3.206 586 H LYS 75 H LYS 75 2.186 9.897 0.275 587 HA LYS 75 HA LYS 75 -0.630 10.019 -0.381 588 HB2 LYS 75 2HB LYS 75 -0.715 11.914 1.100 589 HB3 LYS 75 3HB LYS 75 0.380 10.760 1.853 590 HG2 LYS 75 2HG LYS 75 2.313 12.093 0.892 591 HG3 LYS 75 3HG LYS 75 1.137 13.288 0.344 592 HD2 LYS 75 2HD LYS 75 2.075 14.078 2.412 593 HD3 LYS 75 3HD LYS 75 0.410 13.589 2.733 594 HE2 LYS 75 2HE LYS 75 1.191 11.501 3.736 595 HE3 LYS 75 3HE LYS 75 2.858 11.889 3.307 596 HZ1 LYS 75 3HZ LYS 75 1.143 13.345 5.234 597 HZ2 LYS 75 1HZ LYS 75 2.686 13.844 4.759 598 HZ3 LYS 75 2HZ LYS 75 2.487 12.387 5.591 599 H GLU 76 H GLU 76 -1.449 12.280 -1.164 600 HA GLU 76 HA GLU 76 -0.161 12.896 -3.692 601 HB2 GLU 76 2HB GLU 76 -2.665 14.094 -2.450 602 HB3 GLU 76 3HB GLU 76 -2.127 14.327 -4.113 603 HG2 GLU 76 2HG GLU 76 -2.434 11.925 -4.561 604 HG3 GLU 76 3HG GLU 76 -2.933 11.666 -2.888 605 H ASN 77 H ASN 77 -0.915 14.700 -0.677 606 HA ASN 77 HA ASN 77 1.175 16.653 -1.262 607 HB2 ASN 77 2HB ASN 77 -0.353 18.603 -1.166 608 HB3 ASN 77 3HB ASN 77 -0.745 17.552 -2.522 609 HD21 ASN 77 1HD2 ASN 77 -2.639 16.281 -2.409 610 HD22 ASN 77 2HD2 ASN 77 -3.924 16.674 -1.328 611 H GLU 78 H GLU 78 1.035 18.468 0.481 612 HA GLU 78 HA GLU 78 1.781 17.101 2.887 613 HB2 GLU 78 2HB GLU 78 1.799 20.040 2.104 614 HB3 GLU 78 3HB GLU 78 2.492 19.425 3.604 615 HG2 GLU 78 2HG GLU 78 4.149 18.141 2.379 616 HG3 GLU 78 3HG GLU 78 3.392 18.554 0.839 617 H GLU 79 H GLU 79 -1.186 18.535 1.939 618 HA GLU 79 HA GLU 79 -2.153 19.242 4.561 619 HB2 GLU 79 2HB GLU 79 -3.187 20.213 2.561 620 HB3 GLU 79 3HB GLU 79 -3.627 18.621 1.969 621 HG2 GLU 79 2HG GLU 79 -5.587 19.787 2.856 622 HG3 GLU 79 3HG GLU 79 -5.236 18.350 3.814 623 H LEU 80 H LEU 80 -1.886 16.259 2.729 624 HA LEU 80 HA LEU 80 -4.052 14.889 4.035 625 HB2 LEU 80 2HB LEU 80 -1.878 13.901 2.173 626 HB3 LEU 80 3HB LEU 80 -3.267 12.953 2.696 627 HG LEU 80 HG LEU 80 -3.454 15.535 1.084 628 HD11 LEU 80 1HD1 LEU 80 -3.767 12.683 0.179 629 HD12 LEU 80 2HD1 LEU 80 -2.438 13.772 -0.217 630 HD13 LEU 80 3HD1 LEU 80 -4.063 14.122 -0.800 631 HD21 LEU 80 3HD2 LEU 80 -5.623 13.533 1.829 632 HD22 LEU 80 1HD2 LEU 80 -5.826 14.944 0.784 633 HD23 LEU 80 2HD2 LEU 80 -5.442 15.161 2.488 634 H ASP 81 H ASP 81 -3.823 14.468 6.024 635 HA ASP 81 HA ASP 81 -1.438 13.668 7.426 636 HB2 ASP 81 2HB ASP 81 -2.955 14.943 8.747 637 HB3 ASP 81 3HB ASP 81 -4.358 14.063 8.152 638 H TRP 82 H TRP 82 -0.713 11.617 7.715 639 HA TRP 82 HA TRP 82 -1.700 9.429 6.289 640 HB2 TRP 82 2HB TRP 82 0.323 9.629 8.533 641 HB3 TRP 82 3HB TRP 82 -0.172 8.043 7.951 642 HD1 TRP 82 HD1 TRP 82 2.546 10.350 7.412 643 HE1 TRP 82 HE1 TRP 82 3.653 9.994 5.117 644 HE3 TRP 82 HE3 TRP 82 -1.125 7.561 5.145 645 HZ2 TRP 82 HZ2 TRP 82 3.042 8.729 2.671 646 HZ3 TRP 82 HZ3 TRP 82 -0.777 6.828 2.820 647 HH2 TRP 82 HH2 TRP 82 1.266 7.403 1.613 648 H ASN 83 H ASN 83 -2.424 10.442 9.610 649 HA ASN 83 HA ASN 83 -3.402 7.958 10.569 650 HB2 ASN 83 2HB ASN 83 -4.042 10.759 11.570 651 HB3 ASN 83 3HB ASN 83 -4.404 9.269 12.439 652 HD21 ASN 83 1HD2 ASN 83 -2.739 11.507 13.256 653 HD22 ASN 83 2HD2 ASN 83 -1.179 10.856 13.591 654 H LEU 84 H LEU 84 -4.829 10.314 8.475 655 HA LEU 84 HA LEU 84 -7.603 9.557 8.824 656 HB2 LEU 84 2HB LEU 84 -6.153 10.998 6.572 657 HB3 LEU 84 3HB LEU 84 -7.897 10.785 6.633 658 HG LEU 84 HG LEU 84 -6.286 12.329 8.705 659 HD11 LEU 84 1HD1 LEU 84 -7.185 14.365 7.683 660 HD12 LEU 84 2HD1 LEU 84 -7.928 13.406 6.399 661 HD13 LEU 84 3HD1 LEU 84 -6.168 13.465 6.558 662 HD21 LEU 84 3HD2 LEU 84 -9.294 12.118 8.299 663 HD22 LEU 84 1HD2 LEU 84 -8.479 13.166 9.467 664 HD23 LEU 84 2HD2 LEU 84 -8.363 11.416 9.627 665 H LEU 85 H LEU 85 -4.975 8.742 6.554 666 HA LEU 85 HA LEU 85 -6.546 6.976 4.923 667 HB2 LEU 85 2HB LEU 85 -3.538 7.386 5.113 668 HB3 LEU 85 3HB LEU 85 -4.310 6.321 3.951 669 HG LEU 85 HG LEU 85 -5.560 8.438 3.108 670 HD11 LEU 85 1HD1 LEU 85 -3.331 9.854 4.570 671 HD12 LEU 85 2HD1 LEU 85 -5.051 9.941 4.949 672 HD13 LEU 85 3HD1 LEU 85 -4.456 10.592 3.422 673 HD21 LEU 85 3HD2 LEU 85 -2.575 8.167 2.639 674 HD22 LEU 85 1HD2 LEU 85 -3.701 9.053 1.604 675 HD23 LEU 85 2HD2 LEU 85 -3.857 7.308 1.781 676 H LYS 86 H LYS 86 -4.327 6.552 7.638 677 HA LYS 86 HA LYS 86 -3.494 3.993 7.439 678 HB2 LYS 86 2HB LYS 86 -4.037 5.632 9.906 679 HB3 LYS 86 3HB LYS 86 -3.415 3.989 10.039 680 HG2 LYS 86 2HG LYS 86 -1.437 4.615 8.729 681 HG3 LYS 86 3HG LYS 86 -2.054 6.266 8.578 682 HD2 LYS 86 2HD LYS 86 -2.012 6.482 11.061 683 HD3 LYS 86 3HD LYS 86 -1.333 4.856 11.173 684 HE2 LYS 86 2HE LYS 86 0.674 5.609 9.982 685 HE3 LYS 86 3HE LYS 86 -0.021 7.223 9.806 686 HZ1 LYS 86 3HZ LYS 86 1.510 7.166 11.644 687 HZ2 LYS 86 1HZ LYS 86 0.670 5.886 12.366 688 HZ3 LYS 86 2HZ LYS 86 -0.061 7.402 12.227 689 HA PRO 87 HA PRO 87 -7.227 2.171 10.091 690 HB2 PRO 87 2HB PRO 87 -9.692 3.447 9.742 691 HB3 PRO 87 3HB PRO 87 -8.617 3.720 11.129 692 HG2 PRO 87 2HG PRO 87 -8.906 5.350 8.620 693 HG3 PRO 87 3HG PRO 87 -8.770 5.896 10.312 694 HD2 PRO 87 2HD PRO 87 -6.638 5.994 8.709 695 HD3 PRO 87 3HD PRO 87 -6.462 5.520 10.404 696 H ASP 88 H ASP 88 -7.841 3.821 7.013 697 HA ASP 88 HA ASP 88 -9.537 1.754 5.938 698 HB2 ASP 88 2HB ASP 88 -9.473 4.330 5.345 699 HB3 ASP 88 3HB ASP 88 -8.209 3.866 4.213 700 H ILE 89 H ILE 89 -6.110 2.697 5.605 701 HA ILE 89 HA ILE 89 -5.350 0.874 3.569 702 HB ILE 89 HB ILE 89 -3.650 2.216 5.729 703 HG12 ILE 89 2HG1 ILE 89 -4.026 2.888 2.772 704 HG13 ILE 89 3HG1 ILE 89 -4.674 3.806 4.125 705 HG21 ILE 89 1HG2 ILE 89 -1.639 1.598 4.411 706 HG22 ILE 89 2HG2 ILE 89 -2.652 0.677 3.298 707 HG23 ILE 89 3HG2 ILE 89 -2.499 0.164 4.979 708 HD11 ILE 89 3HD1 ILE 89 -2.769 4.920 3.171 709 HD12 ILE 89 1HD1 ILE 89 -1.759 3.494 3.409 710 HD13 ILE 89 2HD1 ILE 89 -2.383 4.379 4.804 711 H TYR 90 H TYR 90 -5.394 0.694 7.094 712 HA TYR 90 HA TYR 90 -4.227 -1.847 7.404 713 HB2 TYR 90 2HB TYR 90 -6.107 -0.362 9.289 714 HB3 TYR 90 3HB TYR 90 -5.203 -1.814 9.715 715 HD1 TYR 90 HD2 TYR 90 -2.693 -0.574 7.950 716 HD2 TYR 90 HD1 TYR 90 -5.039 0.692 11.300 717 HE1 TYR 90 HE2 TYR 90 -0.837 0.828 8.717 718 HE2 TYR 90 HE1 TYR 90 -3.176 2.098 12.061 719 HH TYR 90 HH TYR 90 -0.713 2.223 11.797 720 H ALA 91 H ALA 91 -7.624 -0.739 7.354 721 HA ALA 91 HA ALA 91 -8.923 -3.182 7.632 722 HB1 ALA 91 3HB ALA 91 -10.881 -2.081 6.629 723 HB2 ALA 91 1HB ALA 91 -9.854 -0.769 6.040 724 HB3 ALA 91 2HB ALA 91 -10.073 -1.008 7.775 725 H THR 92 H THR 92 -7.756 -1.566 4.694 726 HA THR 92 HA THR 92 -8.683 -3.263 2.699 727 HB THR 92 HB THR 92 -6.082 -1.662 2.747 728 HG1 THR 92 HG1 THR 92 -7.355 -0.011 2.493 729 HG21 THR 92 3HG2 THR 92 -7.629 -2.739 0.379 730 HG22 THR 92 1HG2 THR 92 -6.060 -3.328 0.933 731 HG23 THR 92 2HG2 THR 92 -6.215 -1.691 0.291 732 H ILE 93 H ILE 93 -5.490 -3.283 4.302 733 HA ILE 93 HA ILE 93 -4.489 -5.520 2.817 734 HB ILE 93 HB ILE 93 -3.336 -4.118 5.267 735 HG12 ILE 93 2HG1 ILE 93 -2.623 -3.772 2.313 736 HG13 ILE 93 3HG1 ILE 93 -3.581 -2.638 3.257 737 HG21 ILE 93 1HG2 ILE 93 -1.968 -6.070 3.380 738 HG22 ILE 93 2HG2 ILE 93 -2.391 -6.380 5.064 739 HG23 ILE 93 3HG2 ILE 93 -1.174 -5.166 4.673 740 HD11 ILE 93 3HD1 ILE 93 -1.635 -2.220 4.703 741 HD12 ILE 93 1HD1 ILE 93 -1.318 -1.839 3.011 742 HD13 ILE 93 2HD1 ILE 93 -0.675 -3.323 3.712 743 H MET 94 H MET 94 -5.626 -5.117 6.191 744 HA MET 94 HA MET 94 -5.054 -7.707 7.120 745 HB2 MET 94 2HB MET 94 -7.212 -5.781 8.065 746 HB3 MET 94 3HB MET 94 -6.781 -7.263 8.908 747 HG2 MET 94 2HG MET 94 -4.481 -6.361 9.226 748 HG3 MET 94 3HG MET 94 -5.001 -4.852 8.478 749 HE1 MET 94 3HE MET 94 -8.060 -4.701 9.743 750 HE2 MET 94 1HE MET 94 -7.000 -3.297 9.595 751 HE3 MET 94 2HE MET 94 -7.745 -3.681 11.145 752 H ASP 95 H ASP 95 -8.078 -6.329 5.741 753 HA ASP 95 HA ASP 95 -9.646 -8.670 5.764 754 HB2 ASP 95 2HB ASP 95 -10.430 -6.257 5.411 755 HB3 ASP 95 3HB ASP 95 -9.896 -6.397 3.742 756 H PHE 96 H PHE 96 -7.354 -7.422 3.418 757 HA PHE 96 HA PHE 96 -7.900 -9.036 1.184 758 HB2 PHE 96 2HB PHE 96 -6.448 -6.956 1.232 759 HB3 PHE 96 3HB PHE 96 -5.184 -7.906 2.000 760 HD1 PHE 96 HD2 PHE 96 -7.064 -7.332 -1.117 761 HD2 PHE 96 HD1 PHE 96 -3.839 -9.498 0.683 762 HE1 PHE 96 HE2 PHE 96 -6.257 -7.977 -3.334 763 HE2 PHE 96 HE1 PHE 96 -3.047 -10.140 -1.551 764 HZ PHE 96 HZ PHE 96 -4.255 -9.381 -3.560 765 H PHE 97 H PHE 97 -5.459 -9.421 3.745 766 HA PHE 97 HA PHE 97 -4.569 -12.019 2.905 767 HB2 PHE 97 2HB PHE 97 -4.000 -10.298 5.332 768 HB3 PHE 97 3HB PHE 97 -3.458 -11.972 5.299 769 HD1 PHE 97 HD2 PHE 97 -1.743 -12.712 3.682 770 HD2 PHE 97 HD1 PHE 97 -2.887 -8.590 3.930 771 HE1 PHE 97 HE2 PHE 97 0.284 -12.071 2.453 772 HE2 PHE 97 HE1 PHE 97 -0.848 -7.964 2.696 773 HZ PHE 97 HZ PHE 97 0.735 -9.705 1.960 774 H ALA 98 H ALA 98 -6.969 -10.838 5.189 775 HA ALA 98 HA ALA 98 -7.560 -13.216 6.580 776 HB1 ALA 98 3HB ALA 98 -8.366 -11.003 7.301 777 HB2 ALA 98 1HB ALA 98 -9.705 -12.144 7.139 778 HB3 ALA 98 2HB ALA 98 -9.428 -10.922 5.893 779 H SER 99 H SER 99 -8.784 -11.914 3.516 780 HA SER 99 HA SER 99 -10.555 -14.159 3.015 781 HB2 SER 99 2HB SER 99 -9.696 -11.897 1.160 782 HB3 SER 99 3HB SER 99 -11.051 -13.006 0.908 783 HG SER 99 HG SER 99 -10.960 -10.722 2.338 784 H GLY 100 H GLY 100 -7.256 -13.330 2.516 785 HA2 GLY 100 2HA GLY 100 -5.470 -14.471 1.691 786 HA3 GLY 100 3HA GLY 100 -6.513 -15.872 1.478 787 H LEU 101 H LEU 101 -6.901 -12.651 0.041 788 HA LEU 101 HA LEU 101 -7.463 -13.643 -2.559 789 HB2 LEU 101 2HB LEU 101 -6.669 -10.818 -1.731 790 HB3 LEU 101 3HB LEU 101 -7.366 -11.256 -3.281 791 HG LEU 101 HG LEU 101 -8.739 -11.248 -0.569 792 HD11 LEU 101 1HD1 LEU 101 -9.310 -9.685 -3.107 793 HD12 LEU 101 2HD1 LEU 101 -8.573 -9.059 -1.629 794 HD13 LEU 101 3HD1 LEU 101 -10.244 -9.611 -1.607 795 HD21 LEU 101 3HD2 LEU 101 -9.862 -12.303 -3.185 796 HD22 LEU 101 1HD2 LEU 101 -10.789 -12.025 -1.705 797 HD23 LEU 101 2HD2 LEU 101 -9.516 -13.240 -1.728 798 HA PRO 102 HA PRO 102 -3.321 -13.960 -4.408 799 HB2 PRO 102 2HB PRO 102 -3.856 -13.183 -7.022 800 HB3 PRO 102 3HB PRO 102 -4.259 -14.791 -6.381 801 HG2 PRO 102 2HG PRO 102 -6.047 -12.391 -6.696 802 HG3 PRO 102 3HG PRO 102 -6.387 -14.096 -7.076 803 HD2 PRO 102 2HD PRO 102 -7.303 -12.964 -4.808 804 HD3 PRO 102 3HD PRO 102 -6.777 -14.660 -4.835 805 H LEU 103 H LEU 103 -1.893 -12.491 -3.736 806 HA LEU 103 HA LEU 103 -2.176 -9.777 -3.419 807 HB2 LEU 103 2HB LEU 103 -0.443 -11.387 -2.418 808 HB3 LEU 103 3HB LEU 103 0.488 -11.190 -3.885 809 HG LEU 103 HG LEU 103 1.270 -9.829 -1.899 810 HD11 LEU 103 1HD1 LEU 103 0.540 -8.143 -4.299 811 HD12 LEU 103 2HD1 LEU 103 1.958 -9.184 -4.155 812 HD13 LEU 103 3HD1 LEU 103 1.785 -7.789 -3.094 813 HD21 LEU 103 3HD2 LEU 103 0.060 -7.816 -1.242 814 HD22 LEU 103 1HD2 LEU 103 -0.921 -9.255 -0.968 815 HD23 LEU 103 2HD2 LEU 103 -1.253 -8.213 -2.355 816 H VAL 104 H VAL 104 -0.486 -11.458 -6.071 817 HA VAL 104 HA VAL 104 -1.118 -9.208 -7.895 818 HB VAL 104 HB VAL 104 1.402 -10.943 -7.951 819 HG11 VAL 104 1HG1 VAL 104 0.572 -8.704 -9.835 820 HG12 VAL 104 2HG1 VAL 104 0.606 -10.422 -10.237 821 HG13 VAL 104 3HG1 VAL 104 2.110 -9.570 -9.880 822 HG21 VAL 104 3HG2 VAL 104 1.545 -9.208 -6.204 823 HG22 VAL 104 1HG2 VAL 104 1.113 -7.965 -7.384 824 HG23 VAL 104 2HG2 VAL 104 2.641 -8.835 -7.536 825 H THR 105 H THR 105 -2.222 -9.818 -9.631 826 HA THR 105 HA THR 105 -2.842 -12.634 -10.134 827 HB THR 105 HB THR 105 -4.631 -11.690 -11.647 828 HG1 THR 105 HG1 THR 105 -5.048 -9.360 -11.303 829 HG21 THR 105 3HG2 THR 105 -6.098 -10.887 -9.834 830 HG22 THR 105 1HG2 THR 105 -4.689 -10.646 -8.793 831 HG23 THR 105 2HG2 THR 105 -5.144 -12.271 -9.301 832 H GLU 106 H GLU 106 -2.010 -9.715 -12.122 833 HA GLU 106 HA GLU 106 -1.334 -11.492 -14.359 834 HB2 GLU 106 2HB GLU 106 -1.685 -8.470 -14.240 835 HB3 GLU 106 3HB GLU 106 -1.264 -9.361 -15.707 836 HG2 GLU 106 2HG GLU 106 -3.393 -10.702 -15.365 837 HG3 GLU 106 3HG GLU 106 -3.822 -9.564 -14.088 838 H GLU 107 H GLU 107 0.661 -12.272 -14.306 839 HA GLU 107 HA GLU 107 3.014 -10.646 -13.709 840 HB2 GLU 107 2HB GLU 107 2.606 -13.597 -14.352 841 HB3 GLU 107 3HB GLU 107 4.210 -12.881 -14.219 842 HG2 GLU 107 2HG GLU 107 2.145 -12.855 -11.985 843 HG3 GLU 107 3HG GLU 107 3.418 -14.065 -12.150 Start of MODEL 15 1 H1 MET 1 1H MET 1 -5.876 -18.295 38.271 2 H2 MET 1 2H MET 1 -6.464 -18.928 39.721 3 H3 MET 1 3H MET 1 -6.507 -17.264 39.440 4 HA MET 1 HA MET 1 -7.985 -19.285 37.879 5 HB2 MET 1 2HB MET 1 -10.022 -18.524 39.010 6 HB3 MET 1 3HB MET 1 -8.853 -19.043 40.212 7 HG2 MET 1 2HG MET 1 -8.302 -16.706 40.720 8 HG3 MET 1 3HG MET 1 -9.441 -16.158 39.488 9 HE1 MET 1 3HE MET 1 -9.555 -14.992 42.364 10 HE2 MET 1 1HE MET 1 -11.255 -15.138 42.801 11 HE3 MET 1 2HE MET 1 -10.808 -14.596 41.183 12 H GLY 2 H GLY 2 -9.340 -18.424 36.233 13 HA2 GLY 2 2HA GLY 2 -10.077 -15.952 35.503 14 HA3 GLY 2 3HA GLY 2 -8.372 -15.921 35.059 15 H HIS 3 H HIS 3 -10.268 -15.529 33.155 16 HA HIS 3 HA HIS 3 -10.136 -17.994 31.486 17 HB2 HIS 3 2HB HIS 3 -12.116 -15.667 31.255 18 HB3 HIS 3 3HB HIS 3 -12.100 -17.124 30.267 19 HD1 HIS 3 HD1 HIS 3 -13.397 -15.756 33.432 20 HD2 HIS 3 HD2 HIS 3 -12.955 -19.509 31.699 21 HE1 HIS 3 HE1 HIS 3 -14.868 -17.292 34.764 22 HE2 HIS 3 HE2 HIS 3 -14.451 -19.574 33.798 23 H HIS 4 H HIS 4 -8.566 -17.797 29.961 24 HA HIS 4 HA HIS 4 -7.345 -15.201 29.400 25 HB2 HIS 4 2HB HIS 4 -6.575 -18.024 28.528 26 HB3 HIS 4 3HB HIS 4 -5.660 -16.584 28.094 27 HD1 HIS 4 HD1 HIS 4 -3.677 -16.287 29.545 28 HD2 HIS 4 HD2 HIS 4 -6.802 -18.089 31.612 29 HE1 HIS 4 HE1 HIS 4 -2.821 -16.682 31.869 30 HE2 HIS 4 HE2 HIS 4 -4.768 -17.624 33.132 31 H HIS 5 H HIS 5 -7.037 -14.304 27.262 32 HA HIS 5 HA HIS 5 -9.330 -14.589 25.512 33 HB2 HIS 5 2HB HIS 5 -6.776 -12.978 25.051 34 HB3 HIS 5 3HB HIS 5 -8.255 -12.840 24.113 35 HD1 HIS 5 HD1 HIS 5 -10.251 -11.571 25.217 36 HD2 HIS 5 HD2 HIS 5 -6.764 -11.576 27.468 37 HE1 HIS 5 HE1 HIS 5 -10.550 -9.768 26.927 38 HE2 HIS 5 HE2 HIS 5 -8.468 -9.848 28.328 39 H HIS 6 H HIS 6 -9.511 -16.023 23.875 40 HA HIS 6 HA HIS 6 -7.174 -17.398 22.758 41 HB2 HIS 6 2HB HIS 6 -8.747 -18.782 21.529 42 HB3 HIS 6 3HB HIS 6 -9.319 -18.658 23.186 43 HD1 HIS 6 HD1 HIS 6 -10.466 -18.418 19.786 44 HD2 HIS 6 HD2 HIS 6 -11.522 -16.645 23.387 45 HE1 HIS 6 HE1 HIS 6 -12.786 -17.526 19.447 46 HE2 HIS 6 HE2 HIS 6 -13.443 -16.578 21.679 47 H HIS 7 H HIS 7 -6.824 -17.443 20.376 48 HA HIS 7 HA HIS 7 -7.655 -15.111 18.849 49 HB2 HIS 7 2HB HIS 7 -5.387 -14.167 18.604 50 HB3 HIS 7 3HB HIS 7 -5.869 -14.163 20.292 51 HD1 HIS 7 HD1 HIS 7 -4.394 -15.450 21.934 52 HD2 HIS 7 HD2 HIS 7 -3.289 -16.046 17.969 53 HE1 HIS 7 HE1 HIS 7 -2.155 -16.587 22.012 54 HE2 HIS 7 HE2 HIS 7 -1.572 -17.046 19.613 55 H HIS 8 H HIS 8 -6.973 -15.142 16.655 56 HA HIS 8 HA HIS 8 -6.191 -17.740 15.573 57 HB2 HIS 8 2HB HIS 8 -6.733 -15.091 14.151 58 HB3 HIS 8 3HB HIS 8 -6.423 -16.624 13.348 59 HD1 HIS 8 HD1 HIS 8 -9.133 -14.574 13.818 60 HD2 HIS 8 HD2 HIS 8 -8.543 -18.601 14.667 61 HE1 HIS 8 HE1 HIS 8 -11.422 -15.593 13.893 62 HE2 HIS 8 HE2 HIS 8 -11.049 -18.005 14.477 63 H SER 9 H SER 9 -4.942 -14.391 15.105 64 HA SER 9 HA SER 9 -2.150 -15.293 15.259 65 HB2 SER 9 2HB SER 9 -3.298 -14.022 12.723 66 HB3 SER 9 3HB SER 9 -1.589 -14.364 13.007 67 HG SER 9 HG SER 9 -1.983 -16.511 12.894 68 H HIS 10 H HIS 10 -4.519 -12.689 15.107 69 HA HIS 10 HA HIS 10 -4.484 -10.450 15.391 70 HB2 HIS 10 2HB HIS 10 -2.255 -11.255 17.273 71 HB3 HIS 10 3HB HIS 10 -2.576 -9.548 16.996 72 HD1 HIS 10 HD1 HIS 10 -3.881 -8.662 18.874 73 HD2 HIS 10 HD2 HIS 10 -5.047 -12.526 17.904 74 HE1 HIS 10 HE1 HIS 10 -5.782 -9.189 20.416 75 HE2 HIS 10 HE2 HIS 10 -6.597 -11.441 19.658 76 H MET 11 H MET 11 -3.634 -11.131 13.022 77 HA MET 11 HA MET 11 -1.067 -10.032 12.320 78 HB2 MET 11 2HB MET 11 -2.021 -11.899 11.010 79 HB3 MET 11 3HB MET 11 -3.398 -10.902 10.549 80 HG2 MET 11 2HG MET 11 -1.851 -9.365 9.356 81 HG3 MET 11 3HG MET 11 -0.508 -10.431 9.778 82 HE1 MET 11 3HE MET 11 0.112 -10.483 7.147 83 HE2 MET 11 1HE MET 11 -1.282 -9.450 6.815 84 HE3 MET 11 2HE MET 11 -1.053 -10.943 5.907 85 H PHE 12 H PHE 12 -1.103 -7.915 13.036 86 HA PHE 12 HA PHE 12 -2.883 -5.999 11.642 87 HB2 PHE 12 2HB PHE 12 -1.365 -5.702 14.279 88 HB3 PHE 12 3HB PHE 12 -2.259 -4.404 13.497 89 HD1 PHE 12 HD2 PHE 12 -4.801 -4.706 13.158 90 HD2 PHE 12 HD1 PHE 12 -2.503 -7.224 15.749 91 HE1 PHE 12 HE2 PHE 12 -6.857 -5.397 14.328 92 HE2 PHE 12 HE1 PHE 12 -4.565 -7.910 16.904 93 HZ PHE 12 HZ PHE 12 -6.741 -6.997 16.197 94 H ILE 13 H ILE 13 -1.758 -3.865 11.234 95 HA ILE 13 HA ILE 13 0.772 -4.395 9.805 96 HB ILE 13 HB ILE 13 -1.234 -2.114 9.486 97 HG12 ILE 13 2HG1 ILE 13 -0.825 -4.560 7.715 98 HG13 ILE 13 3HG1 ILE 13 -2.174 -4.332 8.825 99 HG21 ILE 13 1HG2 ILE 13 -0.031 -1.587 7.387 100 HG22 ILE 13 2HG2 ILE 13 1.148 -2.850 7.746 101 HG23 ILE 13 3HG2 ILE 13 1.026 -1.435 8.794 102 HD11 ILE 13 3HD1 ILE 13 -2.920 -3.828 6.647 103 HD12 ILE 13 1HD1 ILE 13 -1.564 -2.744 6.341 104 HD13 ILE 13 2HD1 ILE 13 -2.804 -2.303 7.519 105 H GLN 14 H GLN 14 2.627 -3.436 10.467 106 HA GLN 14 HA GLN 14 2.538 -1.300 12.519 107 HB2 GLN 14 2HB GLN 14 4.877 -1.902 13.031 108 HB3 GLN 14 3HB GLN 14 3.843 -3.322 13.146 109 HG2 GLN 14 2HG GLN 14 4.616 -4.018 10.880 110 HG3 GLN 14 3HG GLN 14 5.713 -2.641 10.865 111 HE21 GLN 14 1HE2 GLN 14 5.106 -5.805 12.190 112 HE22 GLN 14 2HE2 GLN 14 6.655 -6.009 12.930 113 H THR 15 H THR 15 3.479 0.688 12.066 114 HA THR 15 HA THR 15 4.226 1.187 9.239 115 HB THR 15 HB THR 15 3.623 3.589 9.705 116 HG1 THR 15 HG1 THR 15 3.724 3.005 12.193 117 HG21 THR 15 3HG2 THR 15 1.402 1.582 10.244 118 HG22 THR 15 1HG2 THR 15 2.007 2.043 8.647 119 HG23 THR 15 2HG2 THR 15 1.192 3.234 9.660 120 H GLN 16 H GLN 16 6.177 1.956 8.733 121 HA GLN 16 HA GLN 16 8.130 2.558 10.876 122 HB2 GLN 16 2HB GLN 16 8.410 0.292 9.771 123 HB3 GLN 16 3HB GLN 16 8.648 1.110 8.234 124 HG2 GLN 16 2HG GLN 16 10.799 0.475 9.099 125 HG3 GLN 16 3HG GLN 16 10.670 2.233 9.222 126 HE21 GLN 16 1HE2 GLN 16 10.759 -0.771 11.006 127 HE22 GLN 16 2HE2 GLN 16 10.996 -0.067 12.565 128 H ASP 17 H ASP 17 9.584 4.253 10.433 129 HA ASP 17 HA ASP 17 8.592 6.311 8.733 130 HB2 ASP 17 2HB ASP 17 10.414 7.681 9.558 131 HB3 ASP 17 3HB ASP 17 9.757 6.762 10.903 132 H THR 18 H THR 18 9.315 7.039 6.788 133 HA THR 18 HA THR 18 11.215 5.354 5.257 134 HB THR 18 HB THR 18 8.734 6.591 4.032 135 HG1 THR 18 HG1 THR 18 8.434 5.048 5.989 136 HG21 THR 18 3HG2 THR 18 10.246 4.065 3.304 137 HG22 THR 18 1HG2 THR 18 10.358 5.606 2.446 138 HG23 THR 18 2HG2 THR 18 8.839 4.706 2.451 139 HA PRO 19 HA PRO 19 13.556 9.023 4.642 140 HB2 PRO 19 2HB PRO 19 13.948 8.237 1.752 141 HB3 PRO 19 3HB PRO 19 15.164 8.566 3.009 142 HG2 PRO 19 2HG PRO 19 14.683 6.065 2.280 143 HG3 PRO 19 3HG PRO 19 14.911 6.456 4.003 144 HD2 PRO 19 2HD PRO 19 12.331 5.971 2.504 145 HD3 PRO 19 3HD PRO 19 12.822 5.377 4.105 146 H ASN 20 H ASN 20 11.319 8.418 1.942 147 HA ASN 20 HA ASN 20 11.232 11.166 1.068 148 HB2 ASN 20 2HB ASN 20 9.423 8.818 0.353 149 HB3 ASN 20 3HB ASN 20 9.483 10.361 -0.498 150 HD21 ASN 20 1HD2 ASN 20 11.170 10.738 -1.952 151 HD22 ASN 20 2HD2 ASN 20 12.328 9.531 -2.392 152 HA PRO 21 HA PRO 21 8.446 12.463 4.433 153 HB2 PRO 21 2HB PRO 21 7.881 14.741 2.529 154 HB3 PRO 21 3HB PRO 21 8.338 14.785 4.248 155 HG2 PRO 21 2HG PRO 21 10.158 15.364 2.427 156 HG3 PRO 21 3HG PRO 21 10.595 14.332 3.812 157 HD2 PRO 21 2HD PRO 21 9.991 13.510 0.971 158 HD3 PRO 21 3HD PRO 21 11.274 12.936 2.063 159 H ASN 22 H ASN 22 7.255 12.304 1.077 160 HA ASN 22 HA ASN 22 4.450 12.296 1.918 161 HB2 ASN 22 2HB ASN 22 5.813 12.180 -0.796 162 HB3 ASN 22 3HB ASN 22 4.094 11.825 -0.640 163 HD21 ASN 22 1HD2 ASN 22 5.442 14.044 -2.028 164 HD22 ASN 22 2HD2 ASN 22 4.773 15.486 -1.362 165 H SER 23 H SER 23 6.847 9.969 1.813 166 HA SER 23 HA SER 23 4.967 7.758 1.158 167 HB2 SER 23 2HB SER 23 8.020 7.753 1.090 168 HB3 SER 23 3HB SER 23 6.960 6.438 0.593 169 HG SER 23 HG SER 23 6.341 7.546 -1.161 170 H LEU 24 H LEU 24 4.510 6.258 2.684 171 HA LEU 24 HA LEU 24 6.226 5.988 5.083 172 HB2 LEU 24 2HB LEU 24 4.186 7.238 5.717 173 HB3 LEU 24 3HB LEU 24 3.185 5.967 5.034 174 HG LEU 24 HG LEU 24 4.147 4.378 6.776 175 HD11 LEU 24 1HD1 LEU 24 5.278 6.900 8.002 176 HD12 LEU 24 2HD1 LEU 24 6.204 5.566 7.308 177 HD13 LEU 24 3HD1 LEU 24 5.233 5.302 8.754 178 HD21 LEU 24 3HD2 LEU 24 2.753 5.191 8.607 179 HD22 LEU 24 1HD2 LEU 24 1.942 5.364 7.053 180 HD23 LEU 24 2HD2 LEU 24 2.647 6.778 7.838 181 H LYS 25 H LYS 25 6.482 3.881 5.808 182 HA LYS 25 HA LYS 25 5.843 1.795 3.859 183 HB2 LYS 25 2HB LYS 25 8.194 2.200 4.506 184 HB3 LYS 25 3HB LYS 25 7.799 1.884 6.194 185 HG2 LYS 25 2HG LYS 25 7.255 -0.442 5.649 186 HG3 LYS 25 3HG LYS 25 7.578 -0.142 3.940 187 HD2 LYS 25 2HD LYS 25 9.642 0.170 6.154 188 HD3 LYS 25 3HD LYS 25 9.468 -1.278 5.160 189 HE2 LYS 25 2HE LYS 25 10.029 -0.005 3.146 190 HE3 LYS 25 3HE LYS 25 10.091 1.495 4.078 191 HZ1 LYS 25 3HZ LYS 25 12.294 0.599 3.666 192 HZ2 LYS 25 1HZ LYS 25 11.891 -0.843 4.454 193 HZ3 LYS 25 2HZ LYS 25 11.960 0.610 5.321 194 H PHE 26 H PHE 26 4.285 0.391 4.286 195 HA PHE 26 HA PHE 26 3.220 -0.042 7.015 196 HB2 PHE 26 2HB PHE 26 1.902 -0.380 4.266 197 HB3 PHE 26 3HB PHE 26 1.141 -0.828 5.787 198 HD1 PHE 26 HD2 PHE 26 2.401 2.085 3.810 199 HD2 PHE 26 HD1 PHE 26 0.009 0.812 7.129 200 HE1 PHE 26 HE2 PHE 26 1.482 4.359 4.031 201 HE2 PHE 26 HE1 PHE 26 -0.902 3.092 7.334 202 HZ PHE 26 HZ PHE 26 -0.164 4.864 5.790 203 H ILE 27 H ILE 27 4.294 -1.840 7.771 204 HA ILE 27 HA ILE 27 4.944 -4.083 6.018 205 HB ILE 27 HB ILE 27 5.474 -3.766 9.008 206 HG12 ILE 27 2HG1 ILE 27 7.949 -3.575 8.240 207 HG13 ILE 27 3HG1 ILE 27 7.307 -3.235 6.640 208 HG21 ILE 27 1HG2 ILE 27 6.516 -5.877 7.094 209 HG22 ILE 27 2HG2 ILE 27 5.334 -6.130 8.380 210 HG23 ILE 27 3HG2 ILE 27 6.996 -5.703 8.785 211 HD11 ILE 27 3HD1 ILE 27 7.930 -1.213 7.857 212 HD12 ILE 27 1HD1 ILE 27 6.770 -1.615 9.124 213 HD13 ILE 27 2HD1 ILE 27 6.203 -1.243 7.494 214 HA PRO 28 HA PRO 28 0.957 -5.898 7.468 215 HB2 PRO 28 2HB PRO 28 0.717 -7.844 5.600 216 HB3 PRO 28 3HB PRO 28 0.500 -6.132 5.166 217 HG2 PRO 28 2HG PRO 28 2.947 -7.850 4.808 218 HG3 PRO 28 3HG PRO 28 2.157 -6.776 3.632 219 HD2 PRO 28 2HD PRO 28 4.345 -6.002 5.086 220 HD3 PRO 28 3HD PRO 28 3.092 -4.853 4.549 221 H GLY 29 H GLY 29 4.092 -7.111 7.471 222 HA2 GLY 29 2HA GLY 29 4.890 -8.406 9.317 223 HA3 GLY 29 3HA GLY 29 3.423 -9.373 9.243 224 H LYS 30 H LYS 30 3.309 -9.746 6.443 225 HA LYS 30 HA LYS 30 5.339 -11.862 6.205 226 HB2 LYS 30 2HB LYS 30 2.787 -11.433 4.588 227 HB3 LYS 30 3HB LYS 30 3.838 -12.847 4.524 228 HG2 LYS 30 2HG LYS 30 3.288 -13.274 6.943 229 HG3 LYS 30 3HG LYS 30 2.109 -11.964 6.856 230 HD2 LYS 30 2HD LYS 30 2.077 -14.551 5.251 231 HD3 LYS 30 3HD LYS 30 0.980 -14.110 6.559 232 HE2 LYS 30 2HE LYS 30 0.130 -12.222 5.156 233 HE3 LYS 30 3HE LYS 30 1.175 -12.762 3.842 234 HZ1 LYS 30 3HZ LYS 30 -1.002 -14.367 5.077 235 HZ2 LYS 30 1HZ LYS 30 -0.015 -14.861 3.803 236 HZ3 LYS 30 2HZ LYS 30 -1.092 -13.577 3.588 237 HA PRO 31 HA PRO 31 7.346 -9.842 2.650 238 HB2 PRO 31 2HB PRO 31 7.877 -12.589 1.594 239 HB3 PRO 31 3HB PRO 31 9.029 -11.312 2.046 240 HG2 PRO 31 2HG PRO 31 8.729 -13.500 3.569 241 HG3 PRO 31 3HG PRO 31 9.037 -11.906 4.297 242 HD2 PRO 31 2HD PRO 31 6.420 -13.393 4.049 243 HD3 PRO 31 3HD PRO 31 7.083 -12.489 5.433 244 H VAL 32 H VAL 32 5.861 -8.889 1.372 245 HA VAL 32 HA VAL 32 3.779 -10.362 -0.004 246 HB VAL 32 HB VAL 32 3.043 -8.169 -0.878 247 HG11 VAL 32 1HG1 VAL 32 3.652 -8.096 2.104 248 HG12 VAL 32 2HG1 VAL 32 2.268 -8.883 1.341 249 HG13 VAL 32 3HG1 VAL 32 2.425 -7.129 1.273 250 HG21 VAL 32 3HG2 VAL 32 4.147 -6.070 -0.219 251 HG22 VAL 32 1HG2 VAL 32 5.220 -7.076 -1.194 252 HG23 VAL 32 2HG2 VAL 32 5.447 -6.986 0.554 253 H LEU 33 H LEU 33 6.865 -8.845 -0.893 254 HA LEU 33 HA LEU 33 6.782 -10.293 -3.459 255 HB2 LEU 33 2HB LEU 33 7.356 -7.355 -3.069 256 HB3 LEU 33 3HB LEU 33 8.130 -8.221 -4.384 257 HG LEU 33 HG LEU 33 5.142 -7.815 -4.011 258 HD11 LEU 33 1HD1 LEU 33 7.036 -6.813 -6.158 259 HD12 LEU 33 2HD1 LEU 33 6.379 -5.854 -4.829 260 HD13 LEU 33 3HD1 LEU 33 5.298 -6.512 -6.052 261 HD21 LEU 33 3HD2 LEU 33 6.600 -9.414 -6.145 262 HD22 LEU 33 1HD2 LEU 33 4.887 -8.974 -6.195 263 HD23 LEU 33 2HD2 LEU 33 5.486 -10.042 -4.929 264 H GLU 34 H GLU 34 8.022 -11.746 -2.005 265 HA GLU 34 HA GLU 34 10.742 -11.248 -1.380 266 HB2 GLU 34 2HB GLU 34 9.455 -13.160 -0.476 267 HB3 GLU 34 3HB GLU 34 9.307 -13.861 -2.074 268 HG2 GLU 34 2HG GLU 34 12.012 -13.440 -0.787 269 HG3 GLU 34 3HG GLU 34 11.041 -14.855 -0.416 270 H THR 35 H THR 35 9.084 -12.486 -4.248 271 HA THR 35 HA THR 35 11.383 -13.365 -5.655 272 HB THR 35 HB THR 35 9.188 -14.370 -6.038 273 HG1 THR 35 HG1 THR 35 10.701 -14.449 -7.761 274 HG21 THR 35 3HG2 THR 35 7.403 -13.252 -7.294 275 HG22 THR 35 1HG2 THR 35 8.352 -11.768 -7.361 276 HG23 THR 35 2HG2 THR 35 7.752 -12.359 -5.811 277 H ARG 36 H ARG 36 9.880 -10.183 -5.494 278 HA ARG 36 HA ARG 36 11.851 -8.981 -7.217 279 HB2 ARG 36 2HB ARG 36 10.302 -8.186 -8.980 280 HB3 ARG 36 3HB ARG 36 10.402 -9.944 -8.955 281 HG2 ARG 36 2HG ARG 36 8.235 -10.043 -7.732 282 HG3 ARG 36 3HG ARG 36 8.126 -8.284 -7.801 283 HD2 ARG 36 2HD ARG 36 6.777 -9.486 -9.551 284 HD3 ARG 36 3HD ARG 36 7.928 -8.307 -10.187 285 HE ARG 36 HE ARG 36 8.833 -11.084 -10.064 286 HH11 ARG 36 1HH1 ARG 36 7.475 -8.555 -12.107 287 HH12 ARG 36 2HH1 ARG 36 7.947 -9.331 -13.582 288 HH21 ARG 36 1HH2 ARG 36 9.470 -12.058 -12.022 289 HH22 ARG 36 2HH2 ARG 36 9.069 -11.299 -13.521 290 H THR 37 H THR 37 10.780 -6.641 -7.887 291 HA THR 37 HA THR 37 9.179 -5.521 -5.655 292 HB THR 37 HB THR 37 10.401 -3.316 -6.066 293 HG1 THR 37 HG1 THR 37 11.896 -3.223 -7.563 294 HG21 THR 37 3HG2 THR 37 11.023 -4.719 -4.123 295 HG22 THR 37 1HG2 THR 37 12.442 -3.896 -4.788 296 HG23 THR 37 2HG2 THR 37 12.171 -5.605 -5.127 297 H MET 38 H MET 38 7.607 -3.937 -6.338 298 HA MET 38 HA MET 38 7.197 -3.527 -9.223 299 HB2 MET 38 2HB MET 38 5.110 -4.792 -7.373 300 HB3 MET 38 3HB MET 38 4.722 -4.120 -8.949 301 HG2 MET 38 2HG MET 38 6.048 -5.804 -10.064 302 HG3 MET 38 3HG MET 38 6.673 -6.397 -8.530 303 HE1 MET 38 3HE MET 38 3.533 -6.254 -10.919 304 HE2 MET 38 1HE MET 38 2.967 -5.384 -9.491 305 HE3 MET 38 2HE MET 38 2.293 -6.965 -9.888 306 H ASP 39 H ASP 39 6.525 -1.494 -9.607 307 HA ASP 39 HA ASP 39 5.470 0.135 -7.348 308 HB2 ASP 39 2HB ASP 39 7.772 0.798 -8.205 309 HB3 ASP 39 3HB ASP 39 7.043 1.175 -9.763 310 H PHE 40 H PHE 40 3.744 1.387 -7.731 311 HA PHE 40 HA PHE 40 2.359 1.283 -10.339 312 HB2 PHE 40 2HB PHE 40 0.962 1.240 -7.627 313 HB3 PHE 40 3HB PHE 40 0.233 1.011 -9.214 314 HD1 PHE 40 HD2 PHE 40 0.754 -1.108 -10.519 315 HD2 PHE 40 HD1 PHE 40 1.887 -0.622 -6.416 316 HE1 PHE 40 HE2 PHE 40 1.094 -3.536 -10.313 317 HE2 PHE 40 HE1 PHE 40 2.226 -3.048 -6.232 318 HZ PHE 40 HZ PHE 40 1.833 -4.503 -8.173 319 HA PRO 41 HA PRO 41 3.049 5.731 -9.207 320 HB2 PRO 41 2HB PRO 41 3.077 6.660 -11.815 321 HB3 PRO 41 3HB PRO 41 4.502 5.972 -11.008 322 HG2 PRO 41 2HG PRO 41 2.621 4.653 -12.938 323 HG3 PRO 41 3HG PRO 41 4.396 4.564 -12.855 324 HD2 PRO 41 2HD PRO 41 2.796 2.590 -11.882 325 HD3 PRO 41 3HD PRO 41 4.372 2.977 -11.158 326 H THR 42 H THR 42 0.689 4.305 -11.444 327 HA THR 42 HA THR 42 -1.270 6.447 -10.852 328 HB THR 42 HB THR 42 -2.172 6.076 -13.191 329 HG1 THR 42 HG1 THR 42 0.297 4.762 -13.754 330 HG21 THR 42 3HG2 THR 42 0.730 6.987 -13.093 331 HG22 THR 42 1HG2 THR 42 -0.685 8.000 -12.777 332 HG23 THR 42 2HG2 THR 42 -0.418 7.335 -14.389 333 HA PRO 43 HA PRO 43 -4.174 3.210 -9.582 334 HB2 PRO 43 2HB PRO 43 -6.193 4.745 -11.224 335 HB3 PRO 43 3HB PRO 43 -6.280 4.204 -9.531 336 HG2 PRO 43 2HG PRO 43 -5.810 6.762 -10.066 337 HG3 PRO 43 3HG PRO 43 -4.941 5.948 -8.744 338 HD2 PRO 43 2HD PRO 43 -3.948 6.651 -11.501 339 HD3 PRO 43 3HD PRO 43 -3.105 6.739 -9.934 340 H ALA 44 H ALA 44 -4.142 4.215 -13.001 341 HA ALA 44 HA ALA 44 -5.450 2.000 -14.145 342 HB1 ALA 44 3HB ALA 44 -3.303 3.749 -15.394 343 HB2 ALA 44 1HB ALA 44 -5.029 4.113 -15.342 344 HB3 ALA 44 2HB ALA 44 -4.449 2.721 -16.260 345 H ALA 45 H ALA 45 -1.973 2.600 -13.577 346 HA ALA 45 HA ALA 45 -0.941 0.220 -14.650 347 HB1 ALA 45 3HB ALA 45 0.375 2.257 -14.197 348 HB2 ALA 45 1HB ALA 45 1.116 0.831 -13.467 349 HB3 ALA 45 2HB ALA 45 0.217 1.971 -12.461 350 H ALA 46 H ALA 46 -2.568 0.773 -11.642 351 HA ALA 46 HA ALA 46 -1.430 -1.279 -10.060 352 HB1 ALA 46 3HB ALA 46 -3.272 -0.835 -8.519 353 HB2 ALA 46 1HB ALA 46 -4.111 0.087 -9.775 354 HB3 ALA 46 2HB ALA 46 -2.580 0.672 -9.126 355 H PHE 47 H PHE 47 -3.318 -1.691 -12.795 356 HA PHE 47 HA PHE 47 -5.222 -3.622 -12.157 357 HB2 PHE 47 2HB PHE 47 -5.328 -4.139 -14.504 358 HB3 PHE 47 3HB PHE 47 -4.947 -2.431 -14.385 359 HD1 PHE 47 HD1 PHE 47 -2.534 -1.668 -14.825 360 HD2 PHE 47 HD2 PHE 47 -3.871 -5.638 -15.698 361 HE1 PHE 47 HE1 PHE 47 -0.605 -1.996 -16.318 362 HE2 PHE 47 HE2 PHE 47 -1.935 -5.959 -17.183 363 HZ PHE 47 HZ PHE 47 -0.303 -4.140 -17.492 364 H ARG 48 H ARG 48 -1.813 -3.939 -12.154 365 HA ARG 48 HA ARG 48 -1.558 -6.711 -12.744 366 HB2 ARG 48 2HB ARG 48 0.331 -4.744 -11.397 367 HB3 ARG 48 3HB ARG 48 0.773 -6.388 -11.838 368 HG2 ARG 48 2HG ARG 48 0.179 -5.795 -14.234 369 HG3 ARG 48 3HG ARG 48 0.054 -4.115 -13.703 370 HD2 ARG 48 2HD ARG 48 2.519 -5.867 -13.449 371 HD3 ARG 48 3HD ARG 48 2.267 -4.637 -14.686 372 HE ARG 48 HE ARG 48 2.011 -3.186 -12.447 373 HH11 ARG 48 1HH1 ARG 48 4.492 -5.520 -13.391 374 HH12 ARG 48 2HH1 ARG 48 5.741 -4.730 -12.484 375 HH21 ARG 48 1HH2 ARG 48 3.681 -2.156 -11.276 376 HH22 ARG 48 2HH2 ARG 48 5.283 -2.828 -11.288 377 H SER 49 H SER 49 -2.124 -4.919 -9.763 378 HA SER 49 HA SER 49 -2.134 -7.433 -8.208 379 HB2 SER 49 2HB SER 49 -0.835 -4.820 -7.329 380 HB3 SER 49 3HB SER 49 -0.987 -6.274 -6.338 381 HG SER 49 HG SER 49 0.613 -7.160 -7.387 382 HA PRO 50 HA PRO 50 -6.213 -5.781 -7.420 383 HB2 PRO 50 2HB PRO 50 -6.484 -7.765 -5.221 384 HB3 PRO 50 3HB PRO 50 -7.383 -7.647 -6.746 385 HG2 PRO 50 2HG PRO 50 -5.589 -9.616 -6.315 386 HG3 PRO 50 3HG PRO 50 -5.865 -8.914 -7.924 387 HD2 PRO 50 2HD PRO 50 -3.609 -8.382 -6.000 388 HD3 PRO 50 3HD PRO 50 -3.570 -8.578 -7.771 389 H LEU 51 H LEU 51 -4.009 -6.375 -4.697 390 HA LEU 51 HA LEU 51 -5.374 -4.821 -2.764 391 HB2 LEU 51 2HB LEU 51 -3.675 -6.526 -2.176 392 HB3 LEU 51 3HB LEU 51 -2.420 -5.538 -2.906 393 HG LEU 51 HG LEU 51 -2.685 -3.819 -1.169 394 HD11 LEU 51 1HD1 LEU 51 -4.921 -5.518 -0.032 395 HD12 LEU 51 2HD1 LEU 51 -5.105 -3.953 -0.828 396 HD13 LEU 51 3HD1 LEU 51 -4.243 -4.065 0.702 397 HD21 LEU 51 3HD2 LEU 51 -1.946 -5.069 0.801 398 HD22 LEU 51 1HD2 LEU 51 -1.187 -5.698 -0.661 399 HD23 LEU 51 2HD2 LEU 51 -2.523 -6.578 0.087 400 H ALA 52 H ALA 52 -2.894 -4.085 -5.174 401 HA ALA 52 HA ALA 52 -2.242 -1.449 -4.391 402 HB1 ALA 52 3HB ALA 52 -1.391 -1.177 -6.681 403 HB2 ALA 52 1HB ALA 52 -2.238 -2.653 -7.181 404 HB3 ALA 52 2HB ALA 52 -0.918 -2.741 -6.015 405 H ARG 53 H ARG 53 -4.717 -2.733 -6.611 406 HA ARG 53 HA ARG 53 -5.876 -0.364 -7.538 407 HB2 ARG 53 2HB ARG 53 -7.413 -2.933 -6.944 408 HB3 ARG 53 3HB ARG 53 -7.812 -1.704 -8.140 409 HG2 ARG 53 2HG ARG 53 -5.734 -2.332 -9.403 410 HG3 ARG 53 3HG ARG 53 -5.465 -3.621 -8.226 411 HD2 ARG 53 2HD ARG 53 -6.520 -4.560 -10.195 412 HD3 ARG 53 3HD ARG 53 -7.673 -4.607 -8.857 413 HE ARG 53 HE ARG 53 -7.708 -2.518 -10.954 414 HH11 ARG 53 1HH1 ARG 53 -9.474 -4.796 -8.919 415 HH12 ARG 53 2HH1 ARG 53 -11.024 -4.301 -9.533 416 HH21 ARG 53 1HH2 ARG 53 -9.703 -1.890 -11.734 417 HH22 ARG 53 2HH2 ARG 53 -11.155 -2.643 -11.139 418 H GLN 54 H GLN 54 -6.624 -2.341 -4.697 419 HA GLN 54 HA GLN 54 -8.912 -0.973 -3.773 420 HB2 GLN 54 2HB GLN 54 -6.912 -2.713 -2.269 421 HB3 GLN 54 3HB GLN 54 -8.466 -2.203 -1.623 422 HG2 GLN 54 2HG GLN 54 -9.657 -3.507 -3.273 423 HG3 GLN 54 3HG GLN 54 -8.159 -3.898 -4.117 424 HE21 GLN 54 1HE2 GLN 54 -10.115 -5.748 -2.973 425 HE22 GLN 54 2HE2 GLN 54 -9.255 -6.695 -1.813 426 H LEU 55 H LEU 55 -5.463 -0.611 -3.053 427 HA LEU 55 HA LEU 55 -5.731 1.349 -0.999 428 HB2 LEU 55 2HB LEU 55 -3.362 0.684 -2.793 429 HB3 LEU 55 3HB LEU 55 -3.278 1.791 -1.429 430 HG LEU 55 HG LEU 55 -3.924 -1.183 -1.247 431 HD11 LEU 55 1HD1 LEU 55 -1.574 -0.791 -1.796 432 HD12 LEU 55 2HD1 LEU 55 -1.748 -1.429 -0.163 433 HD13 LEU 55 3HD1 LEU 55 -1.411 0.289 -0.408 434 HD21 LEU 55 3HD2 LEU 55 -5.104 0.048 0.498 435 HD22 LEU 55 1HD2 LEU 55 -3.605 0.847 0.987 436 HD23 LEU 55 2HD2 LEU 55 -3.792 -0.897 1.192 437 H PHE 56 H PHE 56 -5.435 1.594 -4.539 438 HA PHE 56 HA PHE 56 -5.294 4.472 -4.594 439 HB2 PHE 56 2HB PHE 56 -5.798 2.377 -6.727 440 HB3 PHE 56 3HB PHE 56 -6.004 4.087 -7.094 441 HD1 PHE 56 HD1 PHE 56 -3.983 5.649 -6.489 442 HD2 PHE 56 HD2 PHE 56 -3.651 1.421 -7.009 443 HE1 PHE 56 HE1 PHE 56 -1.587 5.886 -6.972 444 HE2 PHE 56 HE2 PHE 56 -1.258 1.671 -7.485 445 HZ PHE 56 HZ PHE 56 -0.229 3.903 -7.467 446 H ARG 57 H ARG 57 -7.920 2.223 -4.242 447 HA ARG 57 HA ARG 57 -10.060 3.976 -4.974 448 HB2 ARG 57 2HB ARG 57 -10.034 1.595 -3.075 449 HB3 ARG 57 3HB ARG 57 -11.493 2.434 -3.600 450 HG2 ARG 57 2HG ARG 57 -11.036 1.783 -5.945 451 HG3 ARG 57 3HG ARG 57 -9.570 0.949 -5.421 452 HD2 ARG 57 2HD ARG 57 -11.343 -0.680 -5.727 453 HD3 ARG 57 3HD ARG 57 -10.960 -0.560 -4.010 454 HE ARG 57 HE ARG 57 -13.319 0.718 -5.281 455 HH11 ARG 57 1HH1 ARG 57 -11.886 -0.919 -2.495 456 HH12 ARG 57 2HH1 ARG 57 -13.363 -0.908 -1.589 457 HH21 ARG 57 1HH2 ARG 57 -15.241 0.703 -4.084 458 HH22 ARG 57 2HH2 ARG 57 -15.272 0.015 -2.491 459 H ILE 58 H ILE 58 -7.920 3.921 -2.309 460 HA ILE 58 HA ILE 58 -9.619 5.321 -0.398 461 HB ILE 58 HB ILE 58 -6.608 4.744 -0.276 462 HG12 ILE 58 2HG1 ILE 58 -8.872 3.112 0.960 463 HG13 ILE 58 3HG1 ILE 58 -7.963 2.642 -0.471 464 HG21 ILE 58 1HG2 ILE 58 -7.313 6.553 1.243 465 HG22 ILE 58 2HG2 ILE 58 -6.827 5.122 2.154 466 HG23 ILE 58 3HG2 ILE 58 -8.538 5.493 1.950 467 HD11 ILE 58 3HD1 ILE 58 -7.199 1.447 1.478 468 HD12 ILE 58 1HD1 ILE 58 -6.839 2.959 2.312 469 HD13 ILE 58 2HD1 ILE 58 -5.925 2.501 0.870 470 H GLU 59 H GLU 59 -9.691 7.537 -0.287 471 HA GLU 59 HA GLU 59 -8.473 9.182 -2.256 472 HB2 GLU 59 2HB GLU 59 -9.480 11.083 -1.055 473 HB3 GLU 59 3HB GLU 59 -10.642 9.775 -1.237 474 HG2 GLU 59 2HG GLU 59 -10.305 9.108 1.111 475 HG3 GLU 59 3HG GLU 59 -9.091 10.371 1.310 476 H GLY 60 H GLY 60 -6.703 10.513 -2.149 477 HA2 GLY 60 2HA GLY 60 -5.007 11.770 -1.083 478 HA3 GLY 60 3HA GLY 60 -5.140 10.749 0.340 479 H VAL 61 H VAL 61 -5.149 8.421 -1.796 480 HA VAL 61 HA VAL 61 -2.301 7.929 -1.566 481 HB VAL 61 HB VAL 61 -4.550 6.234 -2.740 482 HG11 VAL 61 1HG1 VAL 61 -2.951 4.343 -2.701 483 HG12 VAL 61 2HG1 VAL 61 -1.658 5.446 -2.226 484 HG13 VAL 61 3HG1 VAL 61 -2.424 5.614 -3.808 485 HG21 VAL 61 3HG2 VAL 61 -3.085 6.011 -0.080 486 HG22 VAL 61 1HG2 VAL 61 -4.333 4.907 -0.668 487 HG23 VAL 61 2HG2 VAL 61 -4.741 6.584 -0.302 488 H LYS 62 H LYS 62 -1.012 8.867 -2.966 489 HA LYS 62 HA LYS 62 -1.763 9.704 -5.639 490 HB2 LYS 62 2HB LYS 62 -0.309 11.088 -4.195 491 HB3 LYS 62 3HB LYS 62 0.906 9.822 -4.159 492 HG2 LYS 62 2HG LYS 62 1.538 11.632 -5.688 493 HG3 LYS 62 3HG LYS 62 1.308 10.116 -6.567 494 HD2 LYS 62 2HD LYS 62 -0.942 10.888 -7.287 495 HD3 LYS 62 3HD LYS 62 -0.707 12.399 -6.403 496 HE2 LYS 62 2HE LYS 62 1.088 13.059 -7.883 497 HE3 LYS 62 3HE LYS 62 1.098 11.474 -8.660 498 HZ1 LYS 62 3HZ LYS 62 -0.037 13.094 -10.021 499 HZ2 LYS 62 1HZ LYS 62 -1.124 13.444 -8.780 500 HZ3 LYS 62 2HZ LYS 62 -1.133 11.917 -9.502 501 H SER 63 H SER 63 0.381 7.332 -4.137 502 HA SER 63 HA SER 63 0.569 5.714 -6.533 503 HB2 SER 63 2HB SER 63 3.073 7.031 -5.371 504 HB3 SER 63 3HB SER 63 3.067 5.782 -6.615 505 HG SER 63 HG SER 63 1.524 7.541 -7.630 506 H VAL 64 H VAL 64 1.501 3.631 -6.070 507 HA VAL 64 HA VAL 64 1.900 2.948 -3.212 508 HB VAL 64 HB VAL 64 0.281 1.294 -5.231 509 HG11 VAL 64 1HG1 VAL 64 0.959 0.640 -2.338 510 HG12 VAL 64 2HG1 VAL 64 1.592 -0.187 -3.766 511 HG13 VAL 64 3HG1 VAL 64 -0.127 -0.288 -3.378 512 HG21 VAL 64 3HG2 VAL 64 -0.639 2.684 -2.690 513 HG22 VAL 64 1HG2 VAL 64 -1.636 1.648 -3.717 514 HG23 VAL 64 2HG2 VAL 64 -1.021 3.181 -4.341 515 H PHE 65 H PHE 65 3.611 1.626 -2.865 516 HA PHE 65 HA PHE 65 4.995 0.323 -5.125 517 HB2 PHE 65 2HB PHE 65 6.363 2.254 -4.462 518 HB3 PHE 65 3HB PHE 65 6.258 1.811 -2.762 519 HD1 PHE 65 HD2 PHE 65 7.558 0.585 -6.063 520 HD2 PHE 65 HD1 PHE 65 7.961 0.424 -1.804 521 HE1 PHE 65 HE2 PHE 65 9.620 -0.740 -6.301 522 HE2 PHE 65 HE1 PHE 65 10.020 -0.900 -2.053 523 HZ PHE 65 HZ PHE 65 10.848 -1.485 -4.299 524 H PHE 66 H PHE 66 5.002 -1.803 -4.830 525 HA PHE 66 HA PHE 66 4.764 -3.010 -2.166 526 HB2 PHE 66 2HB PHE 66 4.638 -4.135 -4.994 527 HB3 PHE 66 3HB PHE 66 4.707 -5.170 -3.575 528 HD1 PHE 66 HD2 PHE 66 2.734 -2.345 -2.705 529 HD2 PHE 66 HD1 PHE 66 2.606 -5.977 -4.965 530 HE1 PHE 66 HE2 PHE 66 0.287 -2.362 -2.550 531 HE2 PHE 66 HE1 PHE 66 0.149 -5.972 -4.796 532 HZ PHE 66 HZ PHE 66 -1.011 -4.170 -3.591 533 H GLY 67 H GLY 67 6.480 -3.627 -1.119 534 HA2 GLY 67 2HA GLY 67 9.122 -3.959 -2.430 535 HA3 GLY 67 3HA GLY 67 8.885 -3.342 -0.795 536 HA PRO 68 HA PRO 68 9.934 -8.053 -0.948 537 HB2 PRO 68 2HB PRO 68 11.609 -7.048 1.354 538 HB3 PRO 68 3HB PRO 68 11.990 -8.287 0.135 539 HG2 PRO 68 2HG PRO 68 13.047 -5.865 -0.098 540 HG3 PRO 68 3HG PRO 68 12.451 -6.723 -1.536 541 HD2 PRO 68 2HD PRO 68 11.191 -4.421 -0.068 542 HD3 PRO 68 3HD PRO 68 11.202 -4.795 -1.809 543 H ASP 69 H ASP 69 9.935 -6.409 2.247 544 HA ASP 69 HA ASP 69 8.026 -8.443 3.243 545 HB2 ASP 69 2HB ASP 69 10.028 -6.779 4.820 546 HB3 ASP 69 3HB ASP 69 9.001 -8.050 5.471 547 H SER 70 H SER 70 7.635 -5.563 2.010 548 HA SER 70 HA SER 70 5.613 -4.622 3.887 549 HB2 SER 70 2HB SER 70 6.718 -2.395 4.193 550 HB3 SER 70 3HB SER 70 7.650 -3.714 4.902 551 HG SER 70 HG SER 70 8.131 -2.391 2.435 552 H ILE 71 H ILE 71 4.628 -2.550 3.126 553 HA ILE 71 HA ILE 71 4.730 -2.114 0.191 554 HB ILE 71 HB ILE 71 2.233 -2.252 1.971 555 HG12 ILE 71 2HG1 ILE 71 3.000 -3.966 -0.434 556 HG13 ILE 71 3HG1 ILE 71 3.155 -4.471 1.244 557 HG21 ILE 71 1HG2 ILE 71 0.925 -1.729 -0.080 558 HG22 ILE 71 2HG2 ILE 71 2.431 -1.461 -0.957 559 HG23 ILE 71 3HG2 ILE 71 1.992 -0.399 0.382 560 HD11 ILE 71 3HD1 ILE 71 0.722 -4.297 1.504 561 HD12 ILE 71 1HD1 ILE 71 1.206 -5.445 0.260 562 HD13 ILE 71 2HD1 ILE 71 0.583 -3.861 -0.203 563 H THR 72 H THR 72 5.531 -0.079 -0.022 564 HA THR 72 HA THR 72 5.055 1.975 2.008 565 HB THR 72 HB THR 72 6.756 1.993 -0.532 566 HG1 THR 72 HG1 THR 72 7.387 0.663 1.389 567 HG21 THR 72 3HG2 THR 72 6.023 4.298 0.058 568 HG22 THR 72 1HG2 THR 72 7.756 4.082 0.323 569 HG23 THR 72 2HG2 THR 72 6.646 4.072 1.696 570 H VAL 73 H VAL 73 3.399 3.393 1.759 571 HA VAL 73 HA VAL 73 2.080 3.715 -0.880 572 HB VAL 73 HB VAL 73 0.930 4.185 1.921 573 HG11 VAL 73 1HG1 VAL 73 -0.446 4.374 -0.783 574 HG12 VAL 73 2HG1 VAL 73 -0.063 5.727 0.282 575 HG13 VAL 73 3HG1 VAL 73 -1.242 4.516 0.788 576 HG21 VAL 73 3HG2 VAL 73 1.213 1.783 1.447 577 HG22 VAL 73 1HG2 VAL 73 0.312 1.963 -0.064 578 HG23 VAL 73 2HG2 VAL 73 -0.499 2.217 1.483 579 H THR 74 H THR 74 1.867 5.801 -1.668 580 HA THR 74 HA THR 74 3.265 7.977 -0.242 581 HB THR 74 HB THR 74 2.786 7.594 -3.236 582 HG1 THR 74 HG1 THR 74 5.039 7.220 -3.303 583 HG21 THR 74 3HG2 THR 74 4.281 9.532 -3.566 584 HG22 THR 74 1HG2 THR 74 4.388 9.765 -1.821 585 HG23 THR 74 2HG2 THR 74 2.847 9.997 -2.650 586 H LYS 75 H LYS 75 2.064 9.677 0.338 587 HA LYS 75 HA LYS 75 -0.750 9.970 -0.319 588 HB2 LYS 75 2HB LYS 75 -0.713 11.820 1.265 589 HB3 LYS 75 3HB LYS 75 0.232 10.511 1.971 590 HG2 LYS 75 2HG LYS 75 2.316 11.663 1.131 591 HG3 LYS 75 3HG LYS 75 1.295 13.002 0.610 592 HD2 LYS 75 2HD LYS 75 2.305 13.570 2.726 593 HD3 LYS 75 3HD LYS 75 0.574 13.340 2.968 594 HE2 LYS 75 2HE LYS 75 0.971 11.139 3.918 595 HE3 LYS 75 3HE LYS 75 2.698 11.269 3.581 596 HZ1 LYS 75 3HZ LYS 75 1.203 13.077 5.401 597 HZ2 LYS 75 1HZ LYS 75 2.861 13.065 5.135 598 HZ3 LYS 75 2HZ LYS 75 2.124 11.754 5.902 599 H GLU 76 H GLU 76 -1.545 12.110 -1.209 600 HA GLU 76 HA GLU 76 -0.249 12.768 -3.645 601 HB2 GLU 76 2HB GLU 76 -2.541 14.147 -2.213 602 HB3 GLU 76 3HB GLU 76 -2.007 14.545 -3.848 603 HG2 GLU 76 2HG GLU 76 -2.481 12.142 -4.501 604 HG3 GLU 76 3HG GLU 76 -3.185 11.919 -2.899 605 H ASN 77 H ASN 77 -0.265 14.317 -0.494 606 HA ASN 77 HA ASN 77 2.023 15.928 -1.047 607 HB2 ASN 77 2HB ASN 77 1.011 18.149 -0.891 608 HB3 ASN 77 3HB ASN 77 0.292 17.291 -2.241 609 HD21 ASN 77 1HD2 ASN 77 -1.555 15.717 -0.497 610 HD22 ASN 77 2HD2 ASN 77 -2.760 16.845 -0.001 611 H GLU 78 H GLU 78 2.709 17.148 0.884 612 HA GLU 78 HA GLU 78 2.546 15.518 3.160 613 HB2 GLU 78 2HB GLU 78 3.704 18.310 2.852 614 HB3 GLU 78 3HB GLU 78 3.841 17.367 4.336 615 HG2 GLU 78 2HG GLU 78 4.981 15.558 2.962 616 HG3 GLU 78 3HG GLU 78 5.013 16.706 1.625 617 H GLU 79 H GLU 79 0.414 17.985 2.234 618 HA GLU 79 HA GLU 79 -0.653 19.005 4.606 619 HB2 GLU 79 2HB GLU 79 -1.392 19.851 2.450 620 HB3 GLU 79 3HB GLU 79 -1.962 18.264 1.954 621 HG2 GLU 79 2HG GLU 79 -3.680 18.448 3.869 622 HG3 GLU 79 3HG GLU 79 -3.203 20.143 3.980 623 H LEU 80 H LEU 80 -1.248 15.961 2.918 624 HA LEU 80 HA LEU 80 -3.428 15.058 4.521 625 HB2 LEU 80 2HB LEU 80 -1.554 13.583 2.627 626 HB3 LEU 80 3HB LEU 80 -3.014 12.888 3.325 627 HG LEU 80 HG LEU 80 -3.030 15.343 1.523 628 HD11 LEU 80 1HD1 LEU 80 -3.558 12.456 0.808 629 HD12 LEU 80 2HD1 LEU 80 -2.194 13.443 0.273 630 HD13 LEU 80 3HD1 LEU 80 -3.829 13.850 -0.242 631 HD21 LEU 80 3HD2 LEU 80 -5.277 13.547 2.493 632 HD22 LEU 80 1HD2 LEU 80 -5.440 14.865 1.330 633 HD23 LEU 80 2HD2 LEU 80 -4.974 15.215 2.991 634 H ASP 81 H ASP 81 -3.229 14.408 6.501 635 HA ASP 81 HA ASP 81 -0.710 13.408 7.613 636 HB2 ASP 81 2HB ASP 81 -2.158 15.073 8.874 637 HB3 ASP 81 3HB ASP 81 -3.399 13.832 9.012 638 H TRP 82 H TRP 82 -0.405 11.260 8.231 639 HA TRP 82 HA TRP 82 -1.806 9.332 6.698 640 HB2 TRP 82 2HB TRP 82 0.349 9.037 8.808 641 HB3 TRP 82 3HB TRP 82 -0.406 7.626 8.070 642 HD1 TRP 82 HD1 TRP 82 2.506 9.784 7.604 643 HE1 TRP 82 HE1 TRP 82 3.498 9.483 5.253 644 HE3 TRP 82 HE3 TRP 82 -1.391 7.318 5.344 645 HZ2 TRP 82 HZ2 TRP 82 2.750 8.371 2.776 646 HZ3 TRP 82 HZ3 TRP 82 -1.167 6.678 2.973 647 HH2 TRP 82 HH2 TRP 82 0.867 7.198 1.720 648 H ASN 83 H ASN 83 -2.448 10.501 9.928 649 HA ASN 83 HA ASN 83 -3.653 8.211 11.082 650 HB2 ASN 83 2HB ASN 83 -2.991 10.425 12.223 651 HB3 ASN 83 3HB ASN 83 -4.494 11.092 11.616 652 HD21 ASN 83 1HD2 ASN 83 -3.877 11.056 14.300 653 HD22 ASN 83 2HD2 ASN 83 -4.956 9.980 15.123 654 H LEU 84 H LEU 84 -4.714 10.362 8.595 655 HA LEU 84 HA LEU 84 -7.557 9.881 8.772 656 HB2 LEU 84 2HB LEU 84 -5.911 10.992 6.459 657 HB3 LEU 84 3HB LEU 84 -7.650 11.144 6.659 658 HG LEU 84 HG LEU 84 -5.559 12.434 8.463 659 HD11 LEU 84 1HD1 LEU 84 -7.308 13.721 6.344 660 HD12 LEU 84 2HD1 LEU 84 -5.566 13.453 6.241 661 HD13 LEU 84 3HD1 LEU 84 -6.213 14.562 7.446 662 HD21 LEU 84 3HD2 LEU 84 -8.578 12.758 8.475 663 HD22 LEU 84 1HD2 LEU 84 -7.432 13.671 9.461 664 HD23 LEU 84 2HD2 LEU 84 -7.607 11.935 9.700 665 H LEU 85 H LEU 85 -4.842 8.708 6.759 666 HA LEU 85 HA LEU 85 -6.565 7.093 5.065 667 HB2 LEU 85 2HB LEU 85 -3.524 7.311 5.126 668 HB3 LEU 85 3HB LEU 85 -4.454 6.434 3.929 669 HG LEU 85 HG LEU 85 -5.556 8.779 3.411 670 HD11 LEU 85 1HD1 LEU 85 -4.615 9.994 5.299 671 HD12 LEU 85 2HD1 LEU 85 -4.119 10.718 3.770 672 HD13 LEU 85 3HD1 LEU 85 -2.983 9.720 4.686 673 HD21 LEU 85 3HD2 LEU 85 -4.176 7.537 1.812 674 HD22 LEU 85 1HD2 LEU 85 -2.710 8.186 2.547 675 HD23 LEU 85 2HD2 LEU 85 -3.839 9.264 1.719 676 H LYS 86 H LYS 86 -4.232 6.523 7.673 677 HA LYS 86 HA LYS 86 -3.572 3.903 7.381 678 HB2 LYS 86 2HB LYS 86 -3.847 5.534 9.905 679 HB3 LYS 86 3HB LYS 86 -3.335 3.851 9.976 680 HG2 LYS 86 2HG LYS 86 -1.424 4.398 8.490 681 HG3 LYS 86 3HG LYS 86 -1.906 6.100 8.525 682 HD2 LYS 86 2HD LYS 86 -1.611 6.138 10.984 683 HD3 LYS 86 3HD LYS 86 -1.158 4.432 10.963 684 HE2 LYS 86 2HE LYS 86 0.791 5.050 9.504 685 HE3 LYS 86 3HE LYS 86 0.363 6.744 9.737 686 HZ1 LYS 86 3HZ LYS 86 0.704 6.457 12.122 687 HZ2 LYS 86 1HZ LYS 86 2.100 6.060 11.258 688 HZ3 LYS 86 2HZ LYS 86 1.133 4.834 11.883 689 HA PRO 87 HA PRO 87 -7.318 2.362 10.232 690 HB2 PRO 87 2HB PRO 87 -9.686 3.832 9.870 691 HB3 PRO 87 3HB PRO 87 -8.582 4.029 11.244 692 HG2 PRO 87 2HG PRO 87 -8.743 5.652 8.725 693 HG3 PRO 87 3HG PRO 87 -8.566 6.205 10.407 694 HD2 PRO 87 2HD PRO 87 -6.445 6.118 8.801 695 HD3 PRO 87 3HD PRO 87 -6.292 5.614 10.501 696 H ASP 88 H ASP 88 -7.997 4.034 7.151 697 HA ASP 88 HA ASP 88 -9.768 2.048 6.106 698 HB2 ASP 88 2HB ASP 88 -9.563 4.553 5.423 699 HB3 ASP 88 3HB ASP 88 -8.210 4.050 4.420 700 H ILE 89 H ILE 89 -6.303 2.754 5.734 701 HA ILE 89 HA ILE 89 -5.679 0.846 3.727 702 HB ILE 89 HB ILE 89 -3.898 2.263 5.774 703 HG12 ILE 89 2HG1 ILE 89 -4.349 2.756 2.792 704 HG13 ILE 89 3HG1 ILE 89 -4.955 3.758 4.104 705 HG21 ILE 89 1HG2 ILE 89 -2.784 0.163 5.124 706 HG22 ILE 89 2HG2 ILE 89 -1.933 1.553 4.452 707 HG23 ILE 89 3HG2 ILE 89 -2.977 0.575 3.418 708 HD11 ILE 89 3HD1 ILE 89 -2.639 4.345 4.690 709 HD12 ILE 89 1HD1 ILE 89 -3.075 4.803 3.045 710 HD13 ILE 89 2HD1 ILE 89 -2.066 3.384 3.321 711 H TYR 90 H TYR 90 -5.682 0.734 7.264 712 HA TYR 90 HA TYR 90 -4.528 -1.823 7.609 713 HB2 TYR 90 2HB TYR 90 -6.372 -0.238 9.442 714 HB3 TYR 90 3HB TYR 90 -5.597 -1.748 9.909 715 HD1 TYR 90 HD2 TYR 90 -3.019 -0.434 8.065 716 HD2 TYR 90 HD1 TYR 90 -5.196 0.457 11.646 717 HE1 TYR 90 HE2 TYR 90 -1.077 0.796 8.947 718 HE2 TYR 90 HE1 TYR 90 -3.255 1.680 12.515 719 HH TYR 90 HH TYR 90 -0.698 1.626 12.125 720 H ALA 91 H ALA 91 -7.899 -0.690 7.517 721 HA ALA 91 HA ALA 91 -9.236 -3.117 7.812 722 HB1 ALA 91 3HB ALA 91 -10.079 -0.722 6.149 723 HB2 ALA 91 1HB ALA 91 -10.368 -0.933 7.873 724 HB3 ALA 91 2HB ALA 91 -11.145 -2.013 6.713 725 H THR 92 H THR 92 -8.096 -1.499 4.855 726 HA THR 92 HA THR 92 -9.184 -3.261 2.963 727 HB THR 92 HB THR 92 -6.886 -1.262 2.744 728 HG1 THR 92 HG1 THR 92 -8.518 0.089 2.763 729 HG21 THR 92 3HG2 THR 92 -6.727 -2.888 0.888 730 HG22 THR 92 1HG2 THR 92 -7.264 -1.304 0.307 731 HG23 THR 92 2HG2 THR 92 -8.426 -2.615 0.504 732 H ILE 93 H ILE 93 -5.807 -3.023 4.178 733 HA ILE 93 HA ILE 93 -4.806 -5.119 2.513 734 HB ILE 93 HB ILE 93 -3.567 -3.745 4.932 735 HG12 ILE 93 2HG1 ILE 93 -3.111 -3.388 1.936 736 HG13 ILE 93 3HG1 ILE 93 -3.894 -2.242 3.013 737 HG21 ILE 93 1HG2 ILE 93 -1.392 -4.720 4.263 738 HG22 ILE 93 2HG2 ILE 93 -2.205 -5.664 3.013 739 HG23 ILE 93 3HG2 ILE 93 -2.555 -5.972 4.714 740 HD11 ILE 93 3HD1 ILE 93 -0.978 -3.020 3.041 741 HD12 ILE 93 1HD1 ILE 93 -1.752 -1.918 4.185 742 HD13 ILE 93 2HD1 ILE 93 -1.675 -1.503 2.474 743 H MET 94 H MET 94 -5.701 -5.011 6.009 744 HA MET 94 HA MET 94 -4.973 -7.709 6.555 745 HB2 MET 94 2HB MET 94 -6.941 -5.919 8.042 746 HB3 MET 94 3HB MET 94 -6.375 -7.477 8.634 747 HG2 MET 94 2HG MET 94 -4.036 -6.565 8.625 748 HG3 MET 94 3HG MET 94 -4.700 -4.991 8.184 749 HE1 MET 94 3HE MET 94 -6.498 -3.661 9.815 750 HE2 MET 94 1HE MET 94 -6.928 -4.249 11.420 751 HE3 MET 94 2HE MET 94 -7.485 -5.115 9.990 752 H ASP 95 H ASP 95 -8.047 -6.217 5.538 753 HA ASP 95 HA ASP 95 -9.698 -8.492 5.534 754 HB2 ASP 95 2HB ASP 95 -10.499 -6.134 5.230 755 HB3 ASP 95 3HB ASP 95 -9.812 -6.112 3.612 756 H PHE 96 H PHE 96 -7.515 -7.202 3.075 757 HA PHE 96 HA PHE 96 -8.136 -8.830 0.883 758 HB2 PHE 96 2HB PHE 96 -6.767 -6.786 0.711 759 HB3 PHE 96 3HB PHE 96 -5.508 -7.502 1.702 760 HD1 PHE 96 HD2 PHE 96 -7.138 -7.571 -1.620 761 HD2 PHE 96 HD1 PHE 96 -3.855 -9.001 0.730 762 HE1 PHE 96 HE2 PHE 96 -6.033 -8.401 -3.644 763 HE2 PHE 96 HE1 PHE 96 -2.765 -9.820 -1.311 764 HZ PHE 96 HZ PHE 96 -3.856 -9.517 -3.497 765 H PHE 97 H PHE 97 -5.657 -9.228 3.410 766 HA PHE 97 HA PHE 97 -4.720 -11.784 2.511 767 HB2 PHE 97 2HB PHE 97 -4.266 -10.223 5.079 768 HB3 PHE 97 3HB PHE 97 -3.587 -11.829 4.838 769 HD1 PHE 97 HD2 PHE 97 -2.179 -12.161 2.620 770 HD2 PHE 97 HD1 PHE 97 -2.967 -8.341 4.377 771 HE1 PHE 97 HE2 PHE 97 -0.229 -11.219 1.455 772 HE2 PHE 97 HE1 PHE 97 -1.012 -7.414 3.197 773 HZ PHE 97 HZ PHE 97 0.351 -8.844 1.740 774 H ALA 98 H ALA 98 -7.111 -10.739 4.888 775 HA ALA 98 HA ALA 98 -7.609 -13.293 6.060 776 HB1 ALA 98 3HB ALA 98 -8.205 -11.194 7.189 777 HB2 ALA 98 1HB ALA 98 -9.612 -12.242 7.024 778 HB3 ALA 98 2HB ALA 98 -9.420 -10.845 5.955 779 H SER 99 H SER 99 -8.835 -11.679 3.212 780 HA SER 99 HA SER 99 -10.944 -13.569 2.646 781 HB2 SER 99 2HB SER 99 -11.044 -11.228 1.856 782 HB3 SER 99 3HB SER 99 -9.604 -11.476 0.866 783 HG SER 99 HG SER 99 -12.015 -11.789 0.069 784 H GLY 100 H GLY 100 -7.509 -13.309 2.035 785 HA2 GLY 100 2HA GLY 100 -6.018 -14.914 1.314 786 HA3 GLY 100 3HA GLY 100 -7.359 -16.007 1.000 787 H LEU 101 H LEU 101 -6.944 -12.743 -0.290 788 HA LEU 101 HA LEU 101 -7.310 -13.652 -3.019 789 HB2 LEU 101 2HB LEU 101 -6.798 -10.874 -1.879 790 HB3 LEU 101 3HB LEU 101 -7.233 -11.211 -3.548 791 HG LEU 101 HG LEU 101 -9.007 -11.721 -1.128 792 HD11 LEU 101 1HD1 LEU 101 -9.220 -9.580 -3.268 793 HD12 LEU 101 2HD1 LEU 101 -8.759 -9.331 -1.581 794 HD13 LEU 101 3HD1 LEU 101 -10.386 -9.880 -1.973 795 HD21 LEU 101 3HD2 LEU 101 -10.778 -12.219 -2.775 796 HD22 LEU 101 1HD2 LEU 101 -9.441 -13.364 -2.873 797 HD23 LEU 101 2HD2 LEU 101 -9.598 -12.087 -4.082 798 HA PRO 102 HA PRO 102 -2.926 -13.901 -4.044 799 HB2 PRO 102 2HB PRO 102 -2.992 -13.331 -6.754 800 HB3 PRO 102 3HB PRO 102 -3.521 -14.885 -6.075 801 HG2 PRO 102 2HG PRO 102 -5.186 -12.536 -6.907 802 HG3 PRO 102 3HG PRO 102 -5.471 -14.266 -7.190 803 HD2 PRO 102 2HD PRO 102 -6.756 -12.899 -5.231 804 HD3 PRO 102 3HD PRO 102 -6.320 -14.614 -5.047 805 H LEU 103 H LEU 103 -1.442 -12.437 -3.509 806 HA LEU 103 HA LEU 103 -1.806 -9.714 -3.164 807 HB2 LEU 103 2HB LEU 103 -0.089 -11.333 -2.125 808 HB3 LEU 103 3HB LEU 103 0.888 -11.087 -3.553 809 HG LEU 103 HG LEU 103 1.593 -9.782 -1.507 810 HD11 LEU 103 1HD1 LEU 103 2.352 -9.058 -3.710 811 HD12 LEU 103 2HD1 LEU 103 2.113 -7.691 -2.624 812 HD13 LEU 103 3HD1 LEU 103 0.922 -8.038 -3.882 813 HD21 LEU 103 3HD2 LEU 103 0.351 -7.793 -0.828 814 HD22 LEU 103 1HD2 LEU 103 -0.634 -9.242 -0.633 815 HD23 LEU 103 2HD2 LEU 103 -0.920 -8.159 -1.997 816 H VAL 104 H VAL 104 -0.200 -11.451 -5.776 817 HA VAL 104 HA VAL 104 -0.451 -9.127 -7.590 818 HB VAL 104 HB VAL 104 1.893 -11.090 -7.416 819 HG11 VAL 104 1HG1 VAL 104 1.479 -8.825 -9.397 820 HG12 VAL 104 2HG1 VAL 104 1.399 -10.550 -9.766 821 HG13 VAL 104 3HG1 VAL 104 2.925 -9.826 -9.254 822 HG21 VAL 104 3HG2 VAL 104 3.276 -9.105 -6.906 823 HG22 VAL 104 1HG2 VAL 104 2.023 -9.357 -5.688 824 HG23 VAL 104 2HG2 VAL 104 1.827 -8.095 -6.907 825 H THR 105 H THR 105 -2.035 -9.723 -8.972 826 HA THR 105 HA THR 105 -2.574 -12.453 -9.737 827 HB THR 105 HB THR 105 -4.116 -11.246 -11.493 828 HG1 THR 105 HG1 THR 105 -3.119 -9.181 -11.350 829 HG21 THR 105 3HG2 THR 105 -5.850 -10.788 -9.809 830 HG22 THR 105 1HG2 THR 105 -4.640 -10.817 -8.531 831 HG23 THR 105 2HG2 THR 105 -4.999 -12.290 -9.438 832 H GLU 106 H GLU 106 -0.770 -9.764 -11.071 833 HA GLU 106 HA GLU 106 0.579 -11.438 -13.010 834 HB2 GLU 106 2HB GLU 106 -1.463 -10.806 -14.267 835 HB3 GLU 106 3HB GLU 106 -1.168 -9.100 -13.943 836 HG2 GLU 106 2HG GLU 106 0.868 -9.157 -15.297 837 HG3 GLU 106 3HG GLU 106 0.692 -10.893 -15.554 838 H GLU 107 H GLU 107 2.539 -10.431 -13.713 839 HA GLU 107 HA GLU 107 3.190 -7.807 -12.523 840 HB2 GLU 107 2HB GLU 107 5.633 -8.961 -12.350 841 HB3 GLU 107 3HB GLU 107 4.462 -9.016 -11.049 842 HG2 GLU 107 2HG GLU 107 5.572 -11.174 -11.364 843 HG3 GLU 107 3HG GLU 107 3.836 -11.290 -11.635 Start of MODEL 16 1 H1 MET 1 1H MET 1 15.264 -24.029 6.877 2 H2 MET 1 2H MET 1 13.800 -24.631 6.295 3 H3 MET 1 3H MET 1 14.116 -24.646 7.951 4 HA MET 1 HA MET 1 14.118 -22.275 8.042 5 HB2 MET 1 2HB MET 1 13.714 -20.877 6.139 6 HB3 MET 1 3HB MET 1 14.940 -22.030 5.634 7 HG2 MET 1 2HG MET 1 11.998 -22.068 4.916 8 HG3 MET 1 3HG MET 1 13.350 -21.710 3.840 9 HE1 MET 1 3HE MET 1 10.981 -23.849 3.247 10 HE2 MET 1 1HE MET 1 11.905 -25.186 2.559 11 HE3 MET 1 2HE MET 1 12.277 -23.527 2.092 12 H GLY 2 H GLY 2 12.052 -24.635 6.531 13 HA2 GLY 2 2HA GLY 2 9.542 -23.330 7.080 14 HA3 GLY 2 3HA GLY 2 9.788 -24.950 6.464 15 H HIS 3 H HIS 3 9.333 -23.007 9.280 16 HA HIS 3 HA HIS 3 8.385 -25.327 10.759 17 HB2 HIS 3 2HB HIS 3 9.695 -24.843 12.811 18 HB3 HIS 3 3HB HIS 3 10.747 -25.274 11.479 19 HD1 HIS 3 HD1 HIS 3 10.332 -22.801 14.072 20 HD2 HIS 3 HD2 HIS 3 12.036 -22.853 10.295 21 HE1 HIS 3 HE1 HIS 3 11.819 -20.791 13.977 22 HE2 HIS 3 HE2 HIS 3 12.672 -20.741 11.613 23 H HIS 4 H HIS 4 6.595 -23.979 9.867 24 HA HIS 4 HA HIS 4 5.991 -21.399 10.894 25 HB2 HIS 4 2HB HIS 4 4.962 -22.286 8.787 26 HB3 HIS 4 3HB HIS 4 4.033 -23.438 9.739 27 HD1 HIS 4 HD1 HIS 4 1.907 -22.556 10.915 28 HD2 HIS 4 HD2 HIS 4 4.131 -19.560 9.087 29 HE1 HIS 4 HE1 HIS 4 0.496 -20.483 11.043 30 HE2 HIS 4 HE2 HIS 4 1.788 -18.750 9.763 31 H HIS 5 H HIS 5 5.232 -20.837 12.814 32 HA HIS 5 HA HIS 5 4.495 -22.744 14.862 33 HB2 HIS 5 2HB HIS 5 4.374 -19.691 14.929 34 HB3 HIS 5 3HB HIS 5 4.289 -20.760 16.322 35 HD1 HIS 5 HD1 HIS 5 6.434 -20.942 17.549 36 HD2 HIS 5 HD2 HIS 5 7.054 -19.985 13.551 37 HE1 HIS 5 HE1 HIS 5 8.899 -20.540 17.320 38 HE2 HIS 5 HE2 HIS 5 9.262 -20.049 14.887 39 H HIS 6 H HIS 6 2.513 -23.593 14.923 40 HA HIS 6 HA HIS 6 0.446 -22.942 13.150 41 HB2 HIS 6 2HB HIS 6 0.922 -25.204 14.162 42 HB3 HIS 6 3HB HIS 6 0.216 -24.640 15.671 43 HD1 HIS 6 HD1 HIS 6 -2.126 -25.411 15.930 44 HD2 HIS 6 HD2 HIS 6 -1.128 -24.919 11.926 45 HE1 HIS 6 HE1 HIS 6 -4.172 -26.067 14.636 46 HE2 HIS 6 HE2 HIS 6 -3.559 -25.725 12.221 47 H HIS 7 H HIS 7 0.996 -21.911 16.447 48 HA HIS 7 HA HIS 7 -1.288 -20.045 16.228 49 HB2 HIS 7 2HB HIS 7 -0.491 -21.660 18.695 50 HB3 HIS 7 3HB HIS 7 -1.498 -20.215 18.790 51 HD1 HIS 7 HD1 HIS 7 -3.916 -20.372 17.927 52 HD2 HIS 7 HD2 HIS 7 -1.783 -23.925 17.582 53 HE1 HIS 7 HE1 HIS 7 -5.611 -22.133 17.349 54 HE2 HIS 7 HE2 HIS 7 -4.318 -24.292 17.329 55 H HIS 8 H HIS 8 0.888 -19.170 15.238 56 HA HIS 8 HA HIS 8 1.196 -16.788 16.783 57 HB2 HIS 8 2HB HIS 8 3.087 -18.013 17.816 58 HB3 HIS 8 3HB HIS 8 3.741 -18.400 16.229 59 HD1 HIS 8 HD1 HIS 8 3.256 -15.480 18.581 60 HD2 HIS 8 HD2 HIS 8 5.353 -16.399 15.104 61 HE1 HIS 8 HE1 HIS 8 4.832 -13.565 18.208 62 HE2 HIS 8 HE2 HIS 8 6.210 -14.235 16.219 63 H SER 9 H SER 9 0.348 -15.697 15.109 64 HA SER 9 HA SER 9 2.068 -15.189 12.817 65 HB2 SER 9 2HB SER 9 0.510 -17.060 12.074 66 HB3 SER 9 3HB SER 9 -0.857 -15.986 12.393 67 HG SER 9 HG SER 9 0.013 -14.556 10.824 68 H HIS 10 H HIS 10 2.232 -13.391 14.349 69 HA HIS 10 HA HIS 10 0.050 -11.720 15.017 70 HB2 HIS 10 2HB HIS 10 1.744 -10.108 15.832 71 HB3 HIS 10 3HB HIS 10 2.046 -11.736 16.407 72 HD1 HIS 10 HD1 HIS 10 3.802 -8.927 15.168 73 HD2 HIS 10 HD2 HIS 10 4.181 -13.029 14.645 74 HE1 HIS 10 HE1 HIS 10 6.155 -9.291 14.400 75 HE2 HIS 10 HE2 HIS 10 6.266 -11.745 13.845 76 H MET 11 H MET 11 -1.141 -10.863 13.504 77 HA MET 11 HA MET 11 -0.103 -9.774 11.001 78 HB2 MET 11 2HB MET 11 -2.150 -11.294 11.186 79 HB3 MET 11 3HB MET 11 -2.993 -9.969 11.973 80 HG2 MET 11 2HG MET 11 -3.666 -10.061 9.659 81 HG3 MET 11 3HG MET 11 -2.677 -8.616 9.877 82 HE1 MET 11 3HE MET 11 -3.292 -9.710 6.962 83 HE2 MET 11 1HE MET 11 -1.687 -9.635 6.232 84 HE3 MET 11 2HE MET 11 -2.240 -8.328 7.280 85 H PHE 12 H PHE 12 -0.077 -8.543 13.962 86 HA PHE 12 HA PHE 12 -1.163 -5.951 13.832 87 HB2 PHE 12 2HB PHE 12 1.406 -6.868 15.224 88 HB3 PHE 12 3HB PHE 12 0.600 -5.334 15.514 89 HD1 PHE 12 HD2 PHE 12 -1.744 -5.358 16.557 90 HD2 PHE 12 HD1 PHE 12 0.751 -8.840 16.427 91 HE1 PHE 12 HE2 PHE 12 -3.083 -6.398 18.342 92 HE2 PHE 12 HE1 PHE 12 -0.591 -9.863 18.215 93 HZ PHE 12 HZ PHE 12 -2.506 -8.647 19.172 94 H ILE 13 H ILE 13 -0.769 -4.499 12.241 95 HA ILE 13 HA ILE 13 1.511 -4.784 10.454 96 HB ILE 13 HB ILE 13 -0.809 -2.781 10.383 97 HG12 ILE 13 2HG1 ILE 13 -0.512 -5.354 8.766 98 HG13 ILE 13 3HG1 ILE 13 -1.521 -5.203 10.195 99 HG21 ILE 13 1HG2 ILE 13 1.149 -1.983 9.105 100 HG22 ILE 13 2HG2 ILE 13 -0.184 -2.391 8.025 101 HG23 ILE 13 3HG2 ILE 13 1.182 -3.496 8.190 102 HD11 ILE 13 3HD1 ILE 13 -2.884 -3.516 9.036 103 HD12 ILE 13 1HD1 ILE 13 -2.858 -5.072 8.209 104 HD13 ILE 13 2HD1 ILE 13 -1.896 -3.731 7.586 105 H GLN 14 H GLN 14 3.351 -3.555 10.675 106 HA GLN 14 HA GLN 14 3.342 -1.341 12.651 107 HB2 GLN 14 2HB GLN 14 5.803 -1.599 12.744 108 HB3 GLN 14 3HB GLN 14 4.987 -3.100 13.172 109 HG2 GLN 14 2HG GLN 14 5.566 -4.129 11.104 110 HG3 GLN 14 3HG GLN 14 6.055 -2.594 10.389 111 HE21 GLN 14 1HE2 GLN 14 7.573 -5.101 10.646 112 HE22 GLN 14 2HE2 GLN 14 9.017 -4.679 11.499 113 H THR 15 H THR 15 4.084 0.664 12.083 114 HA THR 15 HA THR 15 4.476 1.273 9.218 115 HB THR 15 HB THR 15 4.098 3.679 9.984 116 HG1 THR 15 HG1 THR 15 3.269 2.404 12.405 117 HG21 THR 15 3HG2 THR 15 1.811 1.757 10.567 118 HG22 THR 15 1HG2 THR 15 2.242 2.382 8.971 119 HG23 THR 15 2HG2 THR 15 1.652 3.479 10.221 120 H GLN 16 H GLN 16 6.472 1.833 8.539 121 HA GLN 16 HA GLN 16 8.612 2.331 10.526 122 HB2 GLN 16 2HB GLN 16 8.611 -0.021 9.697 123 HB3 GLN 16 3HB GLN 16 8.769 0.564 8.046 124 HG2 GLN 16 2HG GLN 16 10.988 1.469 8.552 125 HG3 GLN 16 3HG GLN 16 10.820 0.997 10.241 126 HE21 GLN 16 1HE2 GLN 16 9.622 -1.607 9.680 127 HE22 GLN 16 2HE2 GLN 16 10.884 -2.594 9.039 128 H ASP 17 H ASP 17 10.454 3.473 9.707 129 HA ASP 17 HA ASP 17 9.728 5.883 8.462 130 HB2 ASP 17 2HB ASP 17 12.102 6.513 8.723 131 HB3 ASP 17 3HB ASP 17 11.491 5.742 10.181 132 H THR 18 H THR 18 9.920 6.634 6.473 133 HA THR 18 HA THR 18 11.678 5.349 4.462 134 HB THR 18 HB THR 18 10.044 6.327 2.747 135 HG1 THR 18 HG1 THR 18 8.626 7.648 3.563 136 HG21 THR 18 3HG2 THR 18 8.807 4.308 4.660 137 HG22 THR 18 1HG2 THR 18 9.892 3.914 3.323 138 HG23 THR 18 2HG2 THR 18 8.297 4.598 2.996 139 HA PRO 19 HA PRO 19 14.042 9.254 4.319 140 HB2 PRO 19 2HB PRO 19 13.892 8.787 1.324 141 HB3 PRO 19 3HB PRO 19 15.303 9.194 2.331 142 HG2 PRO 19 2HG PRO 19 14.976 6.701 1.504 143 HG3 PRO 19 3HG PRO 19 15.509 7.019 3.172 144 HD2 PRO 19 2HD PRO 19 12.796 6.173 2.190 145 HD3 PRO 19 3HD PRO 19 13.655 5.710 3.676 146 H ASN 20 H ASN 20 11.465 8.831 1.896 147 HA ASN 20 HA ASN 20 10.839 11.673 1.760 148 HB2 ASN 20 2HB ASN 20 10.667 10.376 -0.296 149 HB3 ASN 20 3HB ASN 20 9.580 9.218 0.465 150 HD21 ASN 20 1HD2 ASN 20 7.911 9.550 -1.006 151 HD22 ASN 20 2HD2 ASN 20 7.017 11.022 -1.112 152 HA PRO 21 HA PRO 21 8.019 11.141 5.345 153 HB2 PRO 21 2HB PRO 21 7.139 13.742 5.508 154 HB3 PRO 21 3HB PRO 21 8.754 13.241 6.059 155 HG2 PRO 21 2HG PRO 21 7.985 14.498 3.429 156 HG3 PRO 21 3HG PRO 21 9.311 14.931 4.535 157 HD2 PRO 21 2HD PRO 21 9.768 13.404 2.354 158 HD3 PRO 21 3HD PRO 21 10.647 13.119 3.873 159 H ASN 22 H ASN 22 7.178 12.318 2.154 160 HA ASN 22 HA ASN 22 4.310 12.237 2.453 161 HB2 ASN 22 2HB ASN 22 6.037 12.244 -0.058 162 HB3 ASN 22 3HB ASN 22 4.287 12.453 -0.047 163 HD21 ASN 22 1HD2 ASN 22 3.418 14.429 0.663 164 HD22 ASN 22 2HD2 ASN 22 4.399 15.824 0.928 165 H SER 23 H SER 23 6.633 9.848 2.248 166 HA SER 23 HA SER 23 4.669 7.787 1.417 167 HB2 SER 23 2HB SER 23 7.720 7.682 1.320 168 HB3 SER 23 3HB SER 23 6.635 6.334 0.920 169 HG SER 23 HG SER 23 5.755 7.651 -0.731 170 H LEU 24 H LEU 24 4.553 5.917 2.692 171 HA LEU 24 HA LEU 24 6.129 5.718 5.180 172 HB2 LEU 24 2HB LEU 24 4.065 6.921 5.791 173 HB3 LEU 24 3HB LEU 24 3.087 5.660 5.061 174 HG LEU 24 HG LEU 24 3.763 4.061 6.811 175 HD11 LEU 24 1HD1 LEU 24 6.036 4.821 7.237 176 HD12 LEU 24 2HD1 LEU 24 5.117 4.749 8.738 177 HD13 LEU 24 3HD1 LEU 24 5.429 6.309 7.970 178 HD21 LEU 24 3HD2 LEU 24 2.806 6.698 7.958 179 HD22 LEU 24 1HD2 LEU 24 2.643 5.115 8.725 180 HD23 LEU 24 2HD2 LEU 24 1.800 5.452 7.217 181 H LYS 25 H LYS 25 6.522 3.641 5.827 182 HA LYS 25 HA LYS 25 5.941 1.518 3.904 183 HB2 LYS 25 2HB LYS 25 8.286 2.029 4.586 184 HB3 LYS 25 3HB LYS 25 7.877 1.659 6.256 185 HG2 LYS 25 2HG LYS 25 7.356 -0.680 5.541 186 HG3 LYS 25 3HG LYS 25 7.917 -0.275 3.919 187 HD2 LYS 25 2HD LYS 25 9.661 -0.049 6.408 188 HD3 LYS 25 3HD LYS 25 9.580 -1.505 5.421 189 HE2 LYS 25 2HE LYS 25 11.545 -0.313 4.767 190 HE3 LYS 25 3HE LYS 25 10.379 -0.106 3.463 191 HZ1 LYS 25 3HZ LYS 25 9.904 2.106 4.276 192 HZ2 LYS 25 1HZ LYS 25 11.556 1.937 4.005 193 HZ3 LYS 25 2HZ LYS 25 10.960 1.903 5.582 194 H PHE 26 H PHE 26 4.383 0.018 4.361 195 HA PHE 26 HA PHE 26 3.472 -0.431 7.150 196 HB2 PHE 26 2HB PHE 26 1.970 -0.763 4.504 197 HB3 PHE 26 3HB PHE 26 1.330 -1.253 6.068 198 HD1 PHE 26 HD2 PHE 26 2.265 1.690 3.979 199 HD2 PHE 26 HD1 PHE 26 0.384 0.370 7.600 200 HE1 PHE 26 HE2 PHE 26 1.308 3.933 4.311 201 HE2 PHE 26 HE1 PHE 26 -0.567 2.617 7.913 202 HZ PHE 26 HZ PHE 26 -0.106 4.396 6.276 203 H ILE 27 H ILE 27 4.511 -2.266 7.881 204 HA ILE 27 HA ILE 27 4.928 -4.569 6.093 205 HB ILE 27 HB ILE 27 5.806 -4.221 9.001 206 HG12 ILE 27 2HG1 ILE 27 8.187 -4.236 7.962 207 HG13 ILE 27 3HG1 ILE 27 7.397 -3.893 6.430 208 HG21 ILE 27 1HG2 ILE 27 6.485 -6.446 7.055 209 HG22 ILE 27 2HG2 ILE 27 5.434 -6.578 8.467 210 HG23 ILE 27 3HG2 ILE 27 7.157 -6.265 8.679 211 HD11 ILE 27 3HD1 ILE 27 6.558 -1.796 7.317 212 HD12 ILE 27 1HD1 ILE 27 8.307 -1.900 7.500 213 HD13 ILE 27 2HD1 ILE 27 7.260 -2.162 8.895 214 HA PRO 28 HA PRO 28 1.031 -5.948 8.077 215 HB2 PRO 28 2HB PRO 28 0.149 -7.610 6.153 216 HB3 PRO 28 3HB PRO 28 0.236 -5.857 5.863 217 HG2 PRO 28 2HG PRO 28 2.113 -8.012 4.940 218 HG3 PRO 28 3HG PRO 28 1.511 -6.589 4.061 219 HD2 PRO 28 2HD PRO 28 3.994 -6.739 5.374 220 HD3 PRO 28 3HD PRO 28 3.181 -5.236 4.887 221 H GLY 29 H GLY 29 3.858 -7.403 8.255 222 HA2 GLY 29 2HA GLY 29 4.512 -9.121 9.698 223 HA3 GLY 29 3HA GLY 29 2.888 -9.793 9.645 224 H LYS 30 H LYS 30 2.563 -9.937 6.856 225 HA LYS 30 HA LYS 30 4.324 -12.145 6.099 226 HB2 LYS 30 2HB LYS 30 1.800 -11.027 4.808 227 HB3 LYS 30 3HB LYS 30 2.707 -12.409 4.188 228 HG2 LYS 30 2HG LYS 30 2.282 -13.598 6.345 229 HG3 LYS 30 3HG LYS 30 1.271 -12.238 6.858 230 HD2 LYS 30 2HD LYS 30 -0.256 -12.646 4.959 231 HD3 LYS 30 3HD LYS 30 0.777 -13.962 4.389 232 HE2 LYS 30 2HE LYS 30 0.306 -15.218 6.456 233 HE3 LYS 30 3HE LYS 30 -0.716 -13.898 7.029 234 HZ1 LYS 30 3HZ LYS 30 -1.198 -15.568 4.620 235 HZ2 LYS 30 1HZ LYS 30 -2.151 -14.258 5.101 236 HZ3 LYS 30 2HZ LYS 30 -2.054 -15.634 6.077 237 HA PRO 31 HA PRO 31 6.678 -9.455 3.278 238 HB2 PRO 31 2HB PRO 31 8.011 -11.449 1.903 239 HB3 PRO 31 3HB PRO 31 8.499 -10.877 3.513 240 HG2 PRO 31 2HG PRO 31 6.914 -13.320 2.781 241 HG3 PRO 31 3HG PRO 31 8.205 -13.137 3.991 242 HD2 PRO 31 2HD PRO 31 5.568 -13.163 4.677 243 HD3 PRO 31 3HD PRO 31 6.773 -12.223 5.585 244 H VAL 32 H VAL 32 5.467 -8.476 1.752 245 HA VAL 32 HA VAL 32 3.446 -9.840 0.268 246 HB VAL 32 HB VAL 32 2.939 -7.623 -0.756 247 HG11 VAL 32 1HG1 VAL 32 2.205 -6.513 1.331 248 HG12 VAL 32 2HG1 VAL 32 3.276 -7.558 2.270 249 HG13 VAL 32 3HG1 VAL 32 1.911 -8.253 1.388 250 HG21 VAL 32 3HG2 VAL 32 5.205 -6.658 -0.884 251 HG22 VAL 32 1HG2 VAL 32 5.273 -6.558 0.879 252 HG23 VAL 32 2HG2 VAL 32 4.107 -5.579 -0.021 253 H LEU 33 H LEU 33 6.415 -8.135 -0.821 254 HA LEU 33 HA LEU 33 6.778 -10.135 -2.950 255 HB2 LEU 33 2HB LEU 33 7.103 -7.117 -3.346 256 HB3 LEU 33 3HB LEU 33 7.631 -8.338 -4.489 257 HG LEU 33 HG LEU 33 4.750 -7.634 -3.796 258 HD11 LEU 33 1HD1 LEU 33 6.326 -7.256 -6.357 259 HD12 LEU 33 2HD1 LEU 33 5.904 -5.996 -5.197 260 HD13 LEU 33 3HD1 LEU 33 4.631 -6.824 -6.087 261 HD21 LEU 33 3HD2 LEU 33 5.736 -9.725 -5.770 262 HD22 LEU 33 1HD2 LEU 33 4.062 -9.198 -5.542 263 HD23 LEU 33 2HD2 LEU 33 4.904 -10.042 -4.245 264 H GLU 34 H GLU 34 8.394 -11.042 -1.638 265 HA GLU 34 HA GLU 34 10.746 -9.390 -0.930 266 HB2 GLU 34 2HB GLU 34 11.400 -11.139 0.582 267 HB3 GLU 34 3HB GLU 34 9.689 -10.845 0.846 268 HG2 GLU 34 2HG GLU 34 10.902 -13.199 -0.654 269 HG3 GLU 34 3HG GLU 34 10.226 -13.234 0.969 270 H THR 35 H THR 35 9.654 -11.931 -3.042 271 HA THR 35 HA THR 35 12.246 -12.770 -4.002 272 HB THR 35 HB THR 35 10.336 -14.345 -3.969 273 HG1 THR 35 HG1 THR 35 11.912 -14.810 -5.492 274 HG21 THR 35 3HG2 THR 35 9.086 -12.634 -6.160 275 HG22 THR 35 1HG2 THR 35 8.483 -12.784 -4.504 276 HG23 THR 35 2HG2 THR 35 8.480 -14.185 -5.576 277 H ARG 36 H ARG 36 10.018 -10.250 -4.747 278 HA ARG 36 HA ARG 36 11.753 -9.167 -6.822 279 HB2 ARG 36 2HB ARG 36 9.942 -8.823 -8.443 280 HB3 ARG 36 3HB ARG 36 10.120 -10.543 -8.116 281 HG2 ARG 36 2HG ARG 36 8.126 -10.508 -6.678 282 HG3 ARG 36 3HG ARG 36 7.981 -8.761 -6.889 283 HD2 ARG 36 2HD ARG 36 6.377 -9.884 -8.332 284 HD3 ARG 36 3HD ARG 36 7.611 -9.106 -9.328 285 HE ARG 36 HE ARG 36 7.393 -12.015 -8.788 286 HH11 ARG 36 1HH1 ARG 36 8.562 -9.410 -10.875 287 HH12 ARG 36 2HH1 ARG 36 9.124 -10.497 -12.104 288 HH21 ARG 36 1HH2 ARG 36 8.114 -13.407 -10.399 289 HH22 ARG 36 2HH2 ARG 36 8.868 -12.776 -11.831 290 H THR 37 H THR 37 10.724 -6.941 -7.512 291 HA THR 37 HA THR 37 9.128 -5.643 -5.383 292 HB THR 37 HB THR 37 10.439 -3.520 -5.771 293 HG1 THR 37 HG1 THR 37 11.951 -3.436 -7.250 294 HG21 THR 37 3HG2 THR 37 12.495 -4.125 -4.542 295 HG22 THR 37 1HG2 THR 37 12.199 -5.834 -4.873 296 HG23 THR 37 2HG2 THR 37 11.087 -4.928 -3.842 297 H MET 38 H MET 38 7.570 -4.155 -6.238 298 HA MET 38 HA MET 38 7.450 -3.729 -9.136 299 HB2 MET 38 2HB MET 38 5.269 -5.250 -7.631 300 HB3 MET 38 3HB MET 38 5.001 -4.501 -9.192 301 HG2 MET 38 2HG MET 38 6.679 -5.982 -10.207 302 HG3 MET 38 3HG MET 38 7.012 -6.703 -8.636 303 HE1 MET 38 3HE MET 38 3.555 -5.694 -10.290 304 HE2 MET 38 1HE MET 38 3.045 -7.251 -10.941 305 HE3 MET 38 2HE MET 38 4.453 -6.435 -11.617 306 H ASP 39 H ASP 39 6.931 -1.733 -9.449 307 HA ASP 39 HA ASP 39 5.579 -0.100 -7.396 308 HB2 ASP 39 2HB ASP 39 6.437 1.876 -8.595 309 HB3 ASP 39 3HB ASP 39 7.750 0.784 -8.182 310 H PHE 40 H PHE 40 3.641 0.782 -7.756 311 HA PHE 40 HA PHE 40 2.362 0.680 -10.418 312 HB2 PHE 40 2HB PHE 40 1.026 0.152 -7.715 313 HB3 PHE 40 3HB PHE 40 0.156 0.349 -9.234 314 HD1 PHE 40 HD2 PHE 40 0.539 -1.328 -11.103 315 HD2 PHE 40 HD1 PHE 40 1.957 -1.998 -7.119 316 HE1 PHE 40 HE2 PHE 40 0.773 -3.726 -11.584 317 HE2 PHE 40 HE1 PHE 40 2.195 -4.396 -7.622 318 HZ PHE 40 HZ PHE 40 1.600 -5.258 -9.849 319 HA PRO 41 HA PRO 41 2.792 4.984 -8.727 320 HB2 PRO 41 2HB PRO 41 3.628 6.224 -10.999 321 HB3 PRO 41 3HB PRO 41 4.726 5.223 -10.022 322 HG2 PRO 41 2HG PRO 41 3.282 4.501 -12.556 323 HG3 PRO 41 3HG PRO 41 4.968 4.176 -12.088 324 HD2 PRO 41 2HD PRO 41 2.954 2.307 -11.862 325 HD3 PRO 41 3HD PRO 41 4.402 2.314 -10.832 326 H THR 42 H THR 42 0.963 3.747 -11.415 327 HA THR 42 HA THR 42 -0.928 6.026 -11.340 328 HB THR 42 HB THR 42 -1.492 5.482 -13.692 329 HG1 THR 42 HG1 THR 42 0.520 3.917 -14.443 330 HG21 THR 42 3HG2 THR 42 1.513 5.821 -13.344 331 HG22 THR 42 1HG2 THR 42 0.322 7.128 -13.373 332 HG23 THR 42 2HG2 THR 42 0.605 6.156 -14.820 333 HA PRO 43 HA PRO 43 -3.972 2.908 -9.975 334 HB2 PRO 43 2HB PRO 43 -6.288 4.198 -10.871 335 HB3 PRO 43 3HB PRO 43 -5.453 4.578 -9.348 336 HG2 PRO 43 2HG PRO 43 -5.252 5.970 -12.001 337 HG3 PRO 43 3HG PRO 43 -5.368 6.668 -10.371 338 HD2 PRO 43 2HD PRO 43 -2.999 6.536 -11.648 339 HD3 PRO 43 3HD PRO 43 -3.100 6.273 -9.890 340 H ALA 44 H ALA 44 -3.746 4.124 -13.266 341 HA ALA 44 HA ALA 44 -5.386 2.215 -14.571 342 HB1 ALA 44 3HB ALA 44 -4.290 2.973 -16.639 343 HB2 ALA 44 1HB ALA 44 -3.049 3.802 -15.691 344 HB3 ALA 44 2HB ALA 44 -4.726 4.346 -15.617 345 H ALA 45 H ALA 45 -1.899 2.232 -13.740 346 HA ALA 45 HA ALA 45 -1.345 -0.333 -14.969 347 HB1 ALA 45 3HB ALA 45 0.346 1.324 -13.060 348 HB2 ALA 45 1HB ALA 45 0.402 1.396 -14.823 349 HB3 ALA 45 2HB ALA 45 0.902 -0.075 -13.984 350 H ALA 46 H ALA 46 -2.549 0.743 -11.921 351 HA ALA 46 HA ALA 46 -1.595 -1.244 -10.174 352 HB1 ALA 46 3HB ALA 46 -2.536 0.907 -9.430 353 HB2 ALA 46 1HB ALA 46 -3.321 -0.457 -8.628 354 HB3 ALA 46 2HB ALA 46 -4.142 0.385 -9.946 355 H PHE 47 H PHE 47 -3.941 -1.533 -12.651 356 HA PHE 47 HA PHE 47 -5.926 -3.174 -11.709 357 HB2 PHE 47 2HB PHE 47 -6.418 -3.765 -13.977 358 HB3 PHE 47 3HB PHE 47 -5.776 -2.131 -14.009 359 HD1 PHE 47 HD1 PHE 47 -3.264 -1.852 -14.645 360 HD2 PHE 47 HD2 PHE 47 -5.475 -5.438 -15.387 361 HE1 PHE 47 HE1 PHE 47 -1.620 -2.519 -16.341 362 HE2 PHE 47 HE2 PHE 47 -3.818 -6.095 -17.075 363 HZ PHE 47 HZ PHE 47 -1.894 -4.643 -17.553 364 H ARG 48 H ARG 48 -2.632 -4.109 -12.134 365 HA ARG 48 HA ARG 48 -3.044 -6.924 -12.468 366 HB2 ARG 48 2HB ARG 48 -0.467 -5.618 -11.521 367 HB3 ARG 48 3HB ARG 48 -0.672 -7.142 -12.388 368 HG2 ARG 48 2HG ARG 48 -1.622 -5.638 -14.318 369 HG3 ARG 48 3HG ARG 48 -0.845 -4.314 -13.444 370 HD2 ARG 48 2HD ARG 48 0.709 -5.059 -15.109 371 HD3 ARG 48 3HD ARG 48 1.312 -5.657 -13.554 372 HE ARG 48 HE ARG 48 -0.379 -7.550 -14.883 373 HH11 ARG 48 1HH1 ARG 48 2.937 -6.364 -14.779 374 HH12 ARG 48 2HH1 ARG 48 3.592 -7.819 -15.431 375 HH21 ARG 48 1HH2 ARG 48 0.488 -9.402 -15.788 376 HH22 ARG 48 2HH2 ARG 48 2.202 -9.547 -15.998 377 H SER 49 H SER 49 -2.010 -4.854 -9.735 378 HA SER 49 HA SER 49 -2.203 -7.080 -7.843 379 HB2 SER 49 2HB SER 49 -0.260 -5.677 -7.547 380 HB3 SER 49 3HB SER 49 -1.240 -4.212 -7.559 381 HG SER 49 HG SER 49 -0.824 -6.064 -5.526 382 HA PRO 50 HA PRO 50 -6.503 -5.747 -7.065 383 HB2 PRO 50 2HB PRO 50 -6.418 -7.747 -4.850 384 HB3 PRO 50 3HB PRO 50 -7.497 -7.672 -6.258 385 HG2 PRO 50 2HG PRO 50 -5.566 -9.541 -6.063 386 HG3 PRO 50 3HG PRO 50 -6.047 -8.840 -7.622 387 HD2 PRO 50 2HD PRO 50 -3.627 -8.220 -5.949 388 HD3 PRO 50 3HD PRO 50 -3.774 -8.369 -7.717 389 H LEU 51 H LEU 51 -4.001 -6.167 -4.597 390 HA LEU 51 HA LEU 51 -5.206 -4.677 -2.505 391 HB2 LEU 51 2HB LEU 51 -3.337 -6.276 -2.148 392 HB3 LEU 51 3HB LEU 51 -2.257 -5.216 -3.036 393 HG LEU 51 HG LEU 51 -2.478 -3.481 -1.270 394 HD11 LEU 51 1HD1 LEU 51 -4.744 -3.935 -0.507 395 HD12 LEU 51 2HD1 LEU 51 -3.617 -3.944 0.846 396 HD13 LEU 51 3HD1 LEU 51 -4.227 -5.469 0.198 397 HD21 LEU 51 3HD2 LEU 51 -0.667 -5.117 -1.075 398 HD22 LEU 51 1HD2 LEU 51 -1.713 -6.187 -0.135 399 HD23 LEU 51 2HD2 LEU 51 -1.241 -4.611 0.512 400 H ALA 52 H ALA 52 -2.949 -3.840 -5.137 401 HA ALA 52 HA ALA 52 -2.423 -1.154 -4.366 402 HB1 ALA 52 3HB ALA 52 -1.579 -0.837 -6.651 403 HB2 ALA 52 1HB ALA 52 -2.335 -2.352 -7.159 404 HB3 ALA 52 2HB ALA 52 -1.016 -2.372 -5.984 405 H ARG 53 H ARG 53 -4.851 -2.591 -6.541 406 HA ARG 53 HA ARG 53 -6.176 -0.332 -7.486 407 HB2 ARG 53 2HB ARG 53 -7.320 -3.076 -6.786 408 HB3 ARG 53 3HB ARG 53 -8.166 -1.866 -7.744 409 HG2 ARG 53 2HG ARG 53 -6.582 -2.049 -9.537 410 HG3 ARG 53 3HG ARG 53 -5.484 -3.019 -8.556 411 HD2 ARG 53 2HD ARG 53 -6.601 -4.480 -10.112 412 HD3 ARG 53 3HD ARG 53 -7.209 -4.826 -8.495 413 HE ARG 53 HE ARG 53 -8.902 -2.958 -9.782 414 HH11 ARG 53 1HH1 ARG 53 -8.092 -6.403 -9.913 415 HH12 ARG 53 2HH1 ARG 53 -9.644 -6.859 -10.539 416 HH21 ARG 53 1HH2 ARG 53 -10.915 -3.583 -10.605 417 HH22 ARG 53 2HH2 ARG 53 -11.244 -5.256 -10.929 418 H GLN 54 H GLN 54 -6.807 -2.219 -4.523 419 HA GLN 54 HA GLN 54 -9.056 -0.709 -3.625 420 HB2 GLN 54 2HB GLN 54 -7.182 -2.581 -2.125 421 HB3 GLN 54 3HB GLN 54 -8.673 -1.932 -1.455 422 HG2 GLN 54 2HG GLN 54 -9.971 -3.112 -3.173 423 HG3 GLN 54 3HG GLN 54 -8.486 -3.742 -3.880 424 HE21 GLN 54 1HE2 GLN 54 -7.193 -4.310 -1.301 425 HE22 GLN 54 2HE2 GLN 54 -8.018 -5.674 -0.641 426 H LEU 55 H LEU 55 -5.570 -0.412 -3.084 427 HA LEU 55 HA LEU 55 -5.714 1.529 -0.983 428 HB2 LEU 55 2HB LEU 55 -3.469 0.770 -2.886 429 HB3 LEU 55 3HB LEU 55 -3.271 1.983 -1.631 430 HG LEU 55 HG LEU 55 -3.986 -0.935 -1.102 431 HD11 LEU 55 1HD1 LEU 55 -1.300 0.431 -0.758 432 HD12 LEU 55 2HD1 LEU 55 -1.712 -0.750 -2.003 433 HD13 LEU 55 3HD1 LEU 55 -1.699 -1.233 -0.309 434 HD21 LEU 55 3HD2 LEU 55 -4.827 0.573 0.638 435 HD22 LEU 55 1HD2 LEU 55 -3.216 1.271 0.840 436 HD23 LEU 55 2HD2 LEU 55 -3.509 -0.422 1.249 437 H PHE 56 H PHE 56 -5.502 1.772 -4.543 438 HA PHE 56 HA PHE 56 -5.460 4.633 -4.646 439 HB2 PHE 56 2HB PHE 56 -6.010 2.476 -6.701 440 HB3 PHE 56 3HB PHE 56 -6.301 4.161 -7.104 441 HD1 PHE 56 HD1 PHE 56 -4.327 5.820 -6.768 442 HD2 PHE 56 HD2 PHE 56 -3.804 1.580 -6.992 443 HE1 PHE 56 HE1 PHE 56 -1.982 6.128 -7.403 444 HE2 PHE 56 HE2 PHE 56 -1.453 1.911 -7.621 445 HZ PHE 56 HZ PHE 56 -0.543 4.184 -7.829 446 H ARG 57 H ARG 57 -8.017 2.400 -3.995 447 HA ARG 57 HA ARG 57 -10.194 4.184 -4.658 448 HB2 ARG 57 2HB ARG 57 -10.100 1.663 -2.956 449 HB3 ARG 57 3HB ARG 57 -11.581 2.567 -3.279 450 HG2 ARG 57 2HG ARG 57 -11.201 2.186 -5.732 451 HG3 ARG 57 3HG ARG 57 -9.832 1.152 -5.313 452 HD2 ARG 57 2HD ARG 57 -11.883 -0.157 -5.783 453 HD3 ARG 57 3HD ARG 57 -11.316 -0.387 -4.131 454 HE ARG 57 HE ARG 57 -13.286 0.458 -3.376 455 HH11 ARG 57 1HH1 ARG 57 -12.993 1.525 -6.737 456 HH12 ARG 57 2HH1 ARG 57 -14.572 2.229 -6.770 457 HH21 ARG 57 1HH2 ARG 57 -15.338 1.423 -3.446 458 HH22 ARG 57 2HH2 ARG 57 -15.896 2.167 -4.905 459 H ILE 58 H ILE 58 -7.901 4.114 -2.169 460 HA ILE 58 HA ILE 58 -9.504 5.567 -0.187 461 HB ILE 58 HB ILE 58 -6.506 4.910 -0.176 462 HG12 ILE 58 2HG1 ILE 58 -8.752 3.420 1.273 463 HG13 ILE 58 3HG1 ILE 58 -7.963 2.854 -0.194 464 HG21 ILE 58 1HG2 ILE 58 -6.603 5.404 2.254 465 HG22 ILE 58 2HG2 ILE 58 -8.299 5.865 2.092 466 HG23 ILE 58 3HG2 ILE 58 -7.046 6.812 1.285 467 HD11 ILE 58 3HD1 ILE 58 -7.111 1.708 1.753 468 HD12 ILE 58 1HD1 ILE 58 -6.632 3.237 2.490 469 HD13 ILE 58 2HD1 ILE 58 -5.841 2.680 1.011 470 H GLU 59 H GLU 59 -9.842 7.661 -0.661 471 HA GLU 59 HA GLU 59 -8.339 9.100 -2.645 472 HB2 GLU 59 2HB GLU 59 -10.634 9.962 -0.830 473 HB3 GLU 59 3HB GLU 59 -9.898 11.014 -2.044 474 HG2 GLU 59 2HG GLU 59 -10.521 9.377 -3.810 475 HG3 GLU 59 3HG GLU 59 -11.308 8.378 -2.587 476 H GLY 60 H GLY 60 -6.338 9.406 -2.016 477 HA2 GLY 60 2HA GLY 60 -5.283 11.339 -0.458 478 HA3 GLY 60 3HA GLY 60 -5.498 9.991 0.662 479 H VAL 61 H VAL 61 -5.117 8.075 -1.613 480 HA VAL 61 HA VAL 61 -2.210 7.818 -1.398 481 HB VAL 61 HB VAL 61 -4.312 5.927 -2.551 482 HG11 VAL 61 1HG1 VAL 61 -2.137 5.485 -3.604 483 HG12 VAL 61 2HG1 VAL 61 -2.561 4.175 -2.500 484 HG13 VAL 61 3HG1 VAL 61 -1.366 5.383 -2.018 485 HG21 VAL 61 3HG2 VAL 61 -4.006 4.628 -0.468 486 HG22 VAL 61 1HG2 VAL 61 -4.567 6.268 -0.124 487 HG23 VAL 61 2HG2 VAL 61 -2.872 5.843 0.130 488 H LYS 62 H LYS 62 -0.959 8.705 -2.918 489 HA LYS 62 HA LYS 62 -1.917 9.489 -5.538 490 HB2 LYS 62 2HB LYS 62 -0.377 10.925 -4.180 491 HB3 LYS 62 3HB LYS 62 0.889 9.730 -4.368 492 HG2 LYS 62 2HG LYS 62 1.184 11.619 -5.922 493 HG3 LYS 62 3HG LYS 62 0.925 10.100 -6.793 494 HD2 LYS 62 2HD LYS 62 -1.510 10.761 -7.057 495 HD3 LYS 62 3HD LYS 62 -1.110 12.321 -6.331 496 HE2 LYS 62 2HE LYS 62 0.118 11.224 -8.885 497 HE3 LYS 62 3HE LYS 62 -1.197 12.397 -8.814 498 HZ1 LYS 62 3HZ LYS 62 1.594 12.777 -7.890 499 HZ2 LYS 62 1HZ LYS 62 0.346 13.869 -7.573 500 HZ3 LYS 62 2HZ LYS 62 0.812 13.564 -9.162 501 H SER 63 H SER 63 0.293 7.127 -4.146 502 HA SER 63 HA SER 63 0.320 5.506 -6.533 503 HB2 SER 63 2HB SER 63 2.835 5.534 -6.727 504 HB3 SER 63 3HB SER 63 2.077 7.065 -7.168 505 HG SER 63 HG SER 63 3.987 6.743 -5.456 506 H VAL 64 H VAL 64 1.081 3.439 -6.165 507 HA VAL 64 HA VAL 64 1.624 2.646 -3.362 508 HB VAL 64 HB VAL 64 0.273 1.030 -5.586 509 HG11 VAL 64 1HG1 VAL 64 1.585 -0.447 -4.118 510 HG12 VAL 64 2HG1 VAL 64 -0.144 -0.701 -3.870 511 HG13 VAL 64 3HG1 VAL 64 0.788 0.233 -2.695 512 HG21 VAL 64 3HG2 VAL 64 -1.775 1.178 -4.223 513 HG22 VAL 64 1HG2 VAL 64 -1.206 2.785 -4.689 514 HG23 VAL 64 2HG2 VAL 64 -0.932 2.191 -3.047 515 H PHE 65 H PHE 65 3.477 1.557 -3.035 516 HA PHE 65 HA PHE 65 4.934 0.275 -5.262 517 HB2 PHE 65 2HB PHE 65 6.140 2.355 -4.664 518 HB3 PHE 65 3HB PHE 65 6.132 1.908 -2.964 519 HD1 PHE 65 HD2 PHE 65 7.491 0.939 -6.301 520 HD2 PHE 65 HD1 PHE 65 7.908 0.534 -2.067 521 HE1 PHE 65 HE2 PHE 65 9.648 -0.195 -6.624 522 HE2 PHE 65 HE1 PHE 65 10.060 -0.597 -2.397 523 HZ PHE 65 HZ PHE 65 10.935 -0.969 -4.669 524 H PHE 66 H PHE 66 5.605 -1.785 -4.798 525 HA PHE 66 HA PHE 66 5.274 -2.791 -2.030 526 HB2 PHE 66 2HB PHE 66 5.134 -4.312 -4.659 527 HB3 PHE 66 3HB PHE 66 5.068 -5.062 -3.071 528 HD1 PHE 66 HD2 PHE 66 3.202 -3.749 -1.466 529 HD2 PHE 66 HD1 PHE 66 3.063 -4.204 -5.719 530 HE1 PHE 66 HE2 PHE 66 0.758 -3.449 -1.424 531 HE2 PHE 66 HE1 PHE 66 0.626 -3.886 -5.662 532 HZ PHE 66 HZ PHE 66 -0.531 -3.514 -3.523 533 H GLY 67 H GLY 67 7.042 -3.293 -1.023 534 HA2 GLY 67 2HA GLY 67 9.611 -3.585 -2.470 535 HA3 GLY 67 3HA GLY 67 9.435 -2.808 -0.901 536 HA PRO 68 HA PRO 68 10.373 -7.446 -0.435 537 HB2 PRO 68 2HB PRO 68 12.841 -6.579 0.982 538 HB3 PRO 68 3HB PRO 68 12.649 -7.743 -0.345 539 HG2 PRO 68 2HG PRO 68 13.813 -5.344 -0.744 540 HG3 PRO 68 3HG PRO 68 12.833 -6.141 -1.994 541 HD2 PRO 68 2HD PRO 68 12.043 -3.889 -0.144 542 HD3 PRO 68 3HD PRO 68 11.703 -4.097 -1.880 543 H ASP 69 H ASP 69 9.049 -8.061 1.104 544 HA ASP 69 HA ASP 69 8.245 -8.671 3.104 545 HB2 ASP 69 2HB ASP 69 10.614 -7.181 4.294 546 HB3 ASP 69 3HB ASP 69 9.514 -8.190 5.219 547 H SER 70 H SER 70 7.808 -5.791 1.864 548 HA SER 70 HA SER 70 6.090 -4.745 3.959 549 HB2 SER 70 2HB SER 70 7.337 -2.555 4.107 550 HB3 SER 70 3HB SER 70 8.251 -3.917 4.751 551 HG SER 70 HG SER 70 9.388 -4.001 2.774 552 H ILE 71 H ILE 71 5.066 -2.691 3.317 553 HA ILE 71 HA ILE 71 4.669 -2.355 0.388 554 HB ILE 71 HB ILE 71 2.676 -1.752 2.651 555 HG12 ILE 71 2HG1 ILE 71 2.597 -4.088 0.682 556 HG13 ILE 71 3HG1 ILE 71 3.079 -4.212 2.371 557 HG21 ILE 71 1HG2 ILE 71 2.333 -0.308 0.688 558 HG22 ILE 71 2HG2 ILE 71 0.998 -1.451 0.850 559 HG23 ILE 71 3HG2 ILE 71 2.251 -1.727 -0.362 560 HD11 ILE 71 3HD1 ILE 71 0.344 -3.443 1.359 561 HD12 ILE 71 1HD1 ILE 71 0.834 -3.518 3.055 562 HD13 ILE 71 2HD1 ILE 71 0.824 -4.982 2.076 563 H THR 72 H THR 72 4.468 -0.109 -0.262 564 HA THR 72 HA THR 72 5.140 1.983 1.706 565 HB THR 72 HB THR 72 6.361 1.782 -1.091 566 HG1 THR 72 HG1 THR 72 7.101 0.340 0.804 567 HG21 THR 72 3HG2 THR 72 7.775 3.686 -0.408 568 HG22 THR 72 1HG2 THR 72 6.973 3.744 1.163 569 HG23 THR 72 2HG2 THR 72 6.070 4.130 -0.304 570 H VAL 73 H VAL 73 3.453 3.355 1.686 571 HA VAL 73 HA VAL 73 1.842 3.740 -0.772 572 HB VAL 73 HB VAL 73 1.060 4.172 2.162 573 HG11 VAL 73 1HG1 VAL 73 -1.217 4.644 1.318 574 HG12 VAL 73 2HG1 VAL 73 -0.629 4.522 -0.342 575 HG13 VAL 73 3HG1 VAL 73 -0.047 5.816 0.708 576 HG21 VAL 73 3HG2 VAL 73 1.158 1.773 1.585 577 HG22 VAL 73 1HG2 VAL 73 0.093 2.048 0.200 578 HG23 VAL 73 2HG2 VAL 73 -0.512 2.285 1.843 579 H THR 74 H THR 74 1.731 5.809 -1.568 580 HA THR 74 HA THR 74 3.113 7.984 -0.101 581 HB THR 74 HB THR 74 2.673 7.727 -3.113 582 HG1 THR 74 HG1 THR 74 4.438 6.598 -3.162 583 HG21 THR 74 3HG2 THR 74 2.952 10.071 -2.329 584 HG22 THR 74 1HG2 THR 74 4.325 9.539 -3.305 585 HG23 THR 74 2HG2 THR 74 4.469 9.619 -1.547 586 H LYS 75 H LYS 75 2.029 9.916 0.160 587 HA LYS 75 HA LYS 75 -0.855 9.991 -0.291 588 HB2 LYS 75 2HB LYS 75 -0.859 11.958 1.157 589 HB3 LYS 75 3HB LYS 75 0.100 10.692 1.917 590 HG2 LYS 75 2HG LYS 75 2.178 11.846 1.047 591 HG3 LYS 75 3HG LYS 75 1.142 13.153 0.476 592 HD2 LYS 75 2HD LYS 75 2.128 13.787 2.603 593 HD3 LYS 75 3HD LYS 75 0.393 13.563 2.817 594 HE2 LYS 75 2HE LYS 75 0.814 11.322 3.784 595 HE3 LYS 75 3HE LYS 75 2.547 11.551 3.556 596 HZ1 LYS 75 3HZ LYS 75 2.457 13.422 5.096 597 HZ2 LYS 75 1HZ LYS 75 1.896 12.001 5.825 598 HZ3 LYS 75 2HZ LYS 75 0.803 13.194 5.315 599 H GLU 76 H GLU 76 -1.873 11.874 -1.316 600 HA GLU 76 HA GLU 76 -0.720 12.586 -3.820 601 HB2 GLU 76 2HB GLU 76 -3.167 13.726 -2.410 602 HB3 GLU 76 3HB GLU 76 -2.747 14.023 -4.099 603 HG2 GLU 76 2HG GLU 76 -2.976 11.604 -4.572 604 HG3 GLU 76 3HG GLU 76 -3.412 11.319 -2.884 605 H ASN 77 H ASN 77 -1.412 14.486 -0.918 606 HA ASN 77 HA ASN 77 0.642 16.465 -1.623 607 HB2 ASN 77 2HB ASN 77 -0.923 18.331 -1.059 608 HB3 ASN 77 3HB ASN 77 -1.445 17.431 -2.477 609 HD21 ASN 77 1HD2 ASN 77 -2.216 18.336 0.747 610 HD22 ASN 77 2HD2 ASN 77 -3.785 17.620 0.802 611 H GLU 78 H GLU 78 1.279 17.752 0.263 612 HA GLU 78 HA GLU 78 1.709 15.939 2.464 613 HB2 GLU 78 2HB GLU 78 3.485 17.340 1.351 614 HB3 GLU 78 3HB GLU 78 2.781 18.770 2.100 615 HG2 GLU 78 2HG GLU 78 3.376 17.993 4.308 616 HG3 GLU 78 3HG GLU 78 3.807 16.398 3.692 617 H GLU 79 H GLU 79 -0.730 18.118 1.908 618 HA GLU 79 HA GLU 79 -1.218 18.980 4.638 619 HB2 GLU 79 2HB GLU 79 -3.071 19.036 2.206 620 HB3 GLU 79 3HB GLU 79 -3.426 19.770 3.762 621 HG2 GLU 79 2HG GLU 79 -2.747 21.490 2.201 622 HG3 GLU 79 3HG GLU 79 -1.532 21.332 3.464 623 H LEU 80 H LEU 80 -1.834 16.170 2.709 624 HA LEU 80 HA LEU 80 -3.944 15.025 4.307 625 HB2 LEU 80 2HB LEU 80 -1.972 13.782 2.349 626 HB3 LEU 80 3HB LEU 80 -3.309 12.914 3.089 627 HG LEU 80 HG LEU 80 -3.684 15.326 1.268 628 HD11 LEU 80 1HD1 LEU 80 -4.274 13.731 -0.487 629 HD12 LEU 80 2HD1 LEU 80 -3.844 12.387 0.578 630 HD13 LEU 80 3HD1 LEU 80 -2.605 13.524 0.039 631 HD21 LEU 80 3HD2 LEU 80 -5.667 13.233 2.236 632 HD22 LEU 80 1HD2 LEU 80 -6.011 14.558 1.119 633 HD23 LEU 80 2HD2 LEU 80 -5.577 14.908 2.789 634 H ASP 81 H ASP 81 -3.549 14.422 6.301 635 HA ASP 81 HA ASP 81 -0.886 13.689 7.265 636 HB2 ASP 81 2HB ASP 81 -2.382 15.161 8.628 637 HB3 ASP 81 3HB ASP 81 -3.533 13.832 8.775 638 H TRP 82 H TRP 82 -0.279 11.639 8.016 639 HA TRP 82 HA TRP 82 -1.356 9.465 6.584 640 HB2 TRP 82 2HB TRP 82 0.838 9.708 8.646 641 HB3 TRP 82 3HB TRP 82 0.265 8.102 8.219 642 HD1 TRP 82 HD1 TRP 82 3.051 10.144 7.330 643 HE1 TRP 82 HE1 TRP 82 3.903 9.674 4.946 644 HE3 TRP 82 HE3 TRP 82 -1.028 7.636 5.465 645 HZ2 TRP 82 HZ2 TRP 82 2.961 8.432 2.592 646 HZ3 TRP 82 HZ3 TRP 82 -0.959 6.846 3.138 647 HH2 TRP 82 HH2 TRP 82 0.997 7.237 1.734 648 H ASN 83 H ASN 83 -1.998 10.534 9.899 649 HA ASN 83 HA ASN 83 -2.997 8.149 11.018 650 HB2 ASN 83 2HB ASN 83 -2.459 10.177 12.349 651 HB3 ASN 83 3HB ASN 83 -3.825 11.015 11.631 652 HD21 ASN 83 1HD2 ASN 83 -2.867 8.469 13.852 653 HD22 ASN 83 2HD2 ASN 83 -4.370 8.385 14.703 654 H LEU 84 H LEU 84 -4.379 10.278 8.672 655 HA LEU 84 HA LEU 84 -7.157 9.582 9.043 656 HB2 LEU 84 2HB LEU 84 -5.792 10.897 6.656 657 HB3 LEU 84 3HB LEU 84 -7.517 10.905 7.002 658 HG LEU 84 HG LEU 84 -5.364 12.298 8.656 659 HD11 LEU 84 1HD1 LEU 84 -7.431 13.510 6.798 660 HD12 LEU 84 2HD1 LEU 84 -5.691 13.405 6.510 661 HD13 LEU 84 3HD1 LEU 84 -6.302 14.400 7.828 662 HD21 LEU 84 3HD2 LEU 84 -8.381 12.351 9.008 663 HD22 LEU 84 1HD2 LEU 84 -7.216 13.329 9.907 664 HD23 LEU 84 2HD2 LEU 84 -7.212 11.578 10.082 665 H LEU 85 H LEU 85 -4.537 8.693 6.768 666 HA LEU 85 HA LEU 85 -6.188 6.956 5.161 667 HB2 LEU 85 2HB LEU 85 -3.181 7.422 5.187 668 HB3 LEU 85 3HB LEU 85 -4.005 6.373 4.045 669 HG LEU 85 HG LEU 85 -5.360 8.520 3.388 670 HD11 LEU 85 1HD1 LEU 85 -4.652 9.970 5.197 671 HD12 LEU 85 2HD1 LEU 85 -4.205 10.652 3.635 672 HD13 LEU 85 3HD1 LEU 85 -2.978 9.879 4.647 673 HD21 LEU 85 3HD2 LEU 85 -3.832 7.407 1.864 674 HD22 LEU 85 1HD2 LEU 85 -2.448 8.226 2.596 675 HD23 LEU 85 2HD2 LEU 85 -3.666 9.152 1.713 676 H LYS 86 H LYS 86 -3.823 6.483 7.773 677 HA LYS 86 HA LYS 86 -3.059 3.902 7.517 678 HB2 LYS 86 2HB LYS 86 -3.563 5.491 10.032 679 HB3 LYS 86 3HB LYS 86 -2.939 3.846 10.113 680 HG2 LYS 86 2HG LYS 86 -0.951 4.462 8.892 681 HG3 LYS 86 3HG LYS 86 -1.587 6.084 8.577 682 HD2 LYS 86 2HD LYS 86 -1.558 6.558 11.024 683 HD3 LYS 86 3HD LYS 86 -0.899 4.945 11.324 684 HE2 LYS 86 2HE LYS 86 1.145 5.506 10.156 685 HE3 LYS 86 3HE LYS 86 0.474 7.043 9.622 686 HZ1 LYS 86 3HZ LYS 86 0.454 7.821 11.863 687 HZ2 LYS 86 1HZ LYS 86 2.004 7.260 11.497 688 HZ3 LYS 86 2HZ LYS 86 0.965 6.327 12.451 689 HA PRO 87 HA PRO 87 -6.816 2.035 10.081 690 HB2 PRO 87 2HB PRO 87 -9.225 3.422 10.017 691 HB3 PRO 87 3HB PRO 87 -8.031 3.586 11.324 692 HG2 PRO 87 2HG PRO 87 -8.440 5.354 8.923 693 HG3 PRO 87 3HG PRO 87 -8.207 5.810 10.630 694 HD2 PRO 87 2HD PRO 87 -6.155 5.930 8.915 695 HD3 PRO 87 3HD PRO 87 -5.902 5.372 10.581 696 H ASP 88 H ASP 88 -7.455 3.963 7.194 697 HA ASP 88 HA ASP 88 -9.286 2.184 5.907 698 HB2 ASP 88 2HB ASP 88 -7.526 4.446 4.861 699 HB3 ASP 88 3HB ASP 88 -8.662 3.577 3.836 700 H ILE 89 H ILE 89 -5.777 2.703 5.716 701 HA ILE 89 HA ILE 89 -5.236 0.836 3.646 702 HB ILE 89 HB ILE 89 -3.395 2.114 5.719 703 HG12 ILE 89 2HG1 ILE 89 -3.815 2.748 2.757 704 HG13 ILE 89 3HG1 ILE 89 -4.485 3.673 4.093 705 HG21 ILE 89 1HG2 ILE 89 -2.560 0.497 3.279 706 HG22 ILE 89 2HG2 ILE 89 -2.344 0.018 4.962 707 HG23 ILE 89 3HG2 ILE 89 -1.469 1.411 4.326 708 HD11 ILE 89 3HD1 ILE 89 -2.572 4.788 3.147 709 HD12 ILE 89 1HD1 ILE 89 -1.556 3.375 3.434 710 HD13 ILE 89 2HD1 ILE 89 -2.221 4.279 4.798 711 H TYR 90 H TYR 90 -5.261 0.589 7.208 712 HA TYR 90 HA TYR 90 -4.273 -2.064 7.416 713 HB2 TYR 90 2HB TYR 90 -6.131 -0.589 9.339 714 HB3 TYR 90 3HB TYR 90 -5.276 -2.083 9.705 715 HD1 TYR 90 HD2 TYR 90 -2.584 -1.203 8.356 716 HD2 TYR 90 HD1 TYR 90 -5.204 0.702 11.155 717 HE1 TYR 90 HE2 TYR 90 -0.703 0.115 9.230 718 HE2 TYR 90 HE1 TYR 90 -3.325 2.015 12.025 719 HH TYR 90 HH TYR 90 -0.930 1.992 12.113 720 H ALA 91 H ALA 91 -7.555 -0.681 7.261 721 HA ALA 91 HA ALA 91 -9.066 -3.029 7.423 722 HB1 ALA 91 3HB ALA 91 -9.736 -0.476 5.918 723 HB2 ALA 91 1HB ALA 91 -10.051 -0.780 7.630 724 HB3 ALA 91 2HB ALA 91 -10.890 -1.725 6.396 725 H THR 92 H THR 92 -7.683 -1.372 4.600 726 HA THR 92 HA THR 92 -8.688 -2.998 2.543 727 HB THR 92 HB THR 92 -6.197 -1.249 2.676 728 HG1 THR 92 HG1 THR 92 -7.739 0.199 2.595 729 HG21 THR 92 3HG2 THR 92 -5.879 -2.846 0.842 730 HG22 THR 92 1HG2 THR 92 -6.220 -1.239 0.197 731 HG23 THR 92 2HG2 THR 92 -7.484 -2.472 0.216 732 H ILE 93 H ILE 93 -5.555 -3.136 4.276 733 HA ILE 93 HA ILE 93 -4.428 -5.331 2.882 734 HB ILE 93 HB ILE 93 -3.838 -4.207 5.657 735 HG12 ILE 93 2HG1 ILE 93 -2.225 -4.008 3.067 736 HG13 ILE 93 3HG1 ILE 93 -3.283 -2.745 3.683 737 HG21 ILE 93 1HG2 ILE 93 -1.746 -5.529 5.691 738 HG22 ILE 93 2HG2 ILE 93 -2.237 -6.344 4.206 739 HG23 ILE 93 3HG2 ILE 93 -3.169 -6.571 5.684 740 HD11 ILE 93 3HD1 ILE 93 -0.758 -3.761 4.993 741 HD12 ILE 93 1HD1 ILE 93 -1.843 -2.546 5.679 742 HD13 ILE 93 2HD1 ILE 93 -0.989 -2.218 4.173 743 H MET 94 H MET 94 -6.121 -5.195 6.040 744 HA MET 94 HA MET 94 -5.990 -7.937 6.637 745 HB2 MET 94 2HB MET 94 -7.939 -5.814 7.626 746 HB3 MET 94 3HB MET 94 -7.855 -7.442 8.291 747 HG2 MET 94 2HG MET 94 -5.486 -7.015 8.938 748 HG3 MET 94 3HG MET 94 -5.652 -5.360 8.350 749 HE1 MET 94 3HE MET 94 -8.637 -4.586 9.310 750 HE2 MET 94 1HE MET 94 -7.265 -3.507 9.560 751 HE3 MET 94 2HE MET 94 -8.323 -3.916 10.912 752 H ASP 95 H ASP 95 -8.545 -6.032 5.039 753 HA ASP 95 HA ASP 95 -10.442 -8.040 4.559 754 HB2 ASP 95 2HB ASP 95 -10.998 -5.697 4.215 755 HB3 ASP 95 3HB ASP 95 -9.756 -5.521 2.983 756 H PHE 96 H PHE 96 -7.701 -6.973 2.599 757 HA PHE 96 HA PHE 96 -8.099 -8.498 0.277 758 HB2 PHE 96 2HB PHE 96 -6.634 -6.563 0.307 759 HB3 PHE 96 3HB PHE 96 -5.613 -7.276 1.545 760 HD1 PHE 96 HD2 PHE 96 -6.644 -7.580 -2.022 761 HD2 PHE 96 HD1 PHE 96 -3.735 -8.620 0.945 762 HE1 PHE 96 HE2 PHE 96 -5.150 -8.453 -3.760 763 HE2 PHE 96 HE1 PHE 96 -2.258 -9.480 -0.812 764 HZ PHE 96 HZ PHE 96 -2.978 -9.396 -3.158 765 H PHE 97 H PHE 97 -6.017 -9.146 3.092 766 HA PHE 97 HA PHE 97 -5.114 -11.721 2.212 767 HB2 PHE 97 2HB PHE 97 -4.855 -10.192 4.822 768 HB3 PHE 97 3HB PHE 97 -4.306 -11.859 4.708 769 HD1 PHE 97 HD1 PHE 97 -3.626 -8.383 3.620 770 HD2 PHE 97 HD2 PHE 97 -2.331 -12.444 3.363 771 HE1 PHE 97 HE1 PHE 97 -1.474 -7.636 2.698 772 HE2 PHE 97 HE2 PHE 97 -0.180 -11.691 2.440 773 HZ PHE 97 HZ PHE 97 0.253 -9.288 2.104 774 H ALA 98 H ALA 98 -7.849 -10.632 4.137 775 HA ALA 98 HA ALA 98 -8.627 -13.245 5.097 776 HB1 ALA 98 3HB ALA 98 -10.256 -10.679 4.932 777 HB2 ALA 98 1HB ALA 98 -9.297 -11.218 6.314 778 HB3 ALA 98 2HB ALA 98 -10.715 -12.140 5.813 779 H SER 99 H SER 99 -9.216 -11.343 2.224 780 HA SER 99 HA SER 99 -11.433 -12.855 1.197 781 HB2 SER 99 2HB SER 99 -11.005 -10.491 0.554 782 HB3 SER 99 3HB SER 99 -9.508 -10.967 -0.233 783 HG SER 99 HG SER 99 -12.087 -11.157 -1.111 784 H GLY 100 H GLY 100 -7.980 -13.209 1.217 785 HA2 GLY 100 2HA GLY 100 -6.658 -14.983 0.585 786 HA3 GLY 100 3HA GLY 100 -8.080 -15.803 -0.039 787 H LEU 101 H LEU 101 -6.941 -12.579 -0.962 788 HA LEU 101 HA LEU 101 -6.770 -13.353 -3.774 789 HB2 LEU 101 2HB LEU 101 -6.499 -10.677 -2.356 790 HB3 LEU 101 3HB LEU 101 -6.419 -10.876 -4.102 791 HG LEU 101 HG LEU 101 -8.868 -11.537 -2.416 792 HD11 LEU 101 1HD1 LEU 101 -8.418 -9.142 -2.332 793 HD12 LEU 101 2HD1 LEU 101 -9.847 -9.475 -3.308 794 HD13 LEU 101 3HD1 LEU 101 -8.317 -9.073 -4.096 795 HD21 LEU 101 3HD2 LEU 101 -8.773 -12.830 -4.484 796 HD22 LEU 101 1HD2 LEU 101 -8.505 -11.358 -5.425 797 HD23 LEU 101 2HD2 LEU 101 -10.038 -11.610 -4.586 798 HA PRO 102 HA PRO 102 -2.178 -13.558 -3.609 799 HB2 PRO 102 2HB PRO 102 -1.700 -13.376 -6.324 800 HB3 PRO 102 3HB PRO 102 -2.262 -14.879 -5.555 801 HG2 PRO 102 2HG PRO 102 -3.883 -12.783 -6.992 802 HG3 PRO 102 3HG PRO 102 -3.948 -14.554 -7.156 803 HD2 PRO 102 2HD PRO 102 -5.754 -13.236 -5.655 804 HD3 PRO 102 3HD PRO 102 -5.149 -14.833 -5.156 805 H LEU 103 H LEU 103 -0.498 -11.990 -3.734 806 HA LEU 103 HA LEU 103 -1.204 -9.361 -3.279 807 HB2 LEU 103 2HB LEU 103 0.961 -10.643 -2.659 808 HB3 LEU 103 3HB LEU 103 1.565 -10.173 -4.233 809 HG LEU 103 HG LEU 103 2.338 -8.748 -2.270 810 HD11 LEU 103 1HD1 LEU 103 2.173 -6.592 -3.378 811 HD12 LEU 103 2HD1 LEU 103 0.894 -7.205 -4.430 812 HD13 LEU 103 3HD1 LEU 103 2.524 -7.871 -4.540 813 HD21 LEU 103 3HD2 LEU 103 0.231 -8.719 -1.016 814 HD22 LEU 103 1HD2 LEU 103 -0.520 -7.735 -2.277 815 HD23 LEU 103 2HD2 LEU 103 0.817 -7.087 -1.323 816 H VAL 104 H VAL 104 0.250 -10.736 -6.222 817 HA VAL 104 HA VAL 104 -1.177 -8.713 -7.848 818 HB VAL 104 HB VAL 104 1.546 -9.869 -8.651 819 HG11 VAL 104 1HG1 VAL 104 -0.031 -7.536 -9.806 820 HG12 VAL 104 2HG1 VAL 104 0.097 -9.146 -10.522 821 HG13 VAL 104 3HG1 VAL 104 1.530 -8.127 -10.388 822 HG21 VAL 104 3HG2 VAL 104 2.587 -7.690 -8.136 823 HG22 VAL 104 1HG2 VAL 104 1.910 -8.424 -6.679 824 HG23 VAL 104 2HG2 VAL 104 1.057 -7.101 -7.476 825 H THR 105 H THR 105 -2.318 -9.667 -9.558 826 HA THR 105 HA THR 105 -2.971 -12.423 -9.349 827 HB THR 105 HB THR 105 -4.319 -12.011 -11.472 828 HG1 THR 105 HG1 THR 105 -3.762 -10.345 -12.630 829 HG21 THR 105 3HG2 THR 105 -5.339 -11.591 -9.251 830 HG22 THR 105 1HG2 THR 105 -5.928 -10.438 -10.452 831 HG23 THR 105 2HG2 THR 105 -4.710 -9.940 -9.274 832 H GLU 106 H GLU 106 -1.061 -10.610 -11.766 833 HA GLU 106 HA GLU 106 0.175 -13.151 -12.688 834 HB2 GLU 106 2HB GLU 106 -0.037 -10.472 -14.143 835 HB3 GLU 106 3HB GLU 106 0.936 -11.818 -14.706 836 HG2 GLU 106 2HG GLU 106 -1.029 -11.872 -16.000 837 HG3 GLU 106 3HG GLU 106 -1.201 -13.184 -14.833 838 H GLU 107 H GLU 107 2.522 -12.414 -13.697 839 HA GLU 107 HA GLU 107 3.882 -10.457 -11.953 840 HB2 GLU 107 2HB GLU 107 4.990 -13.213 -12.706 841 HB3 GLU 107 3HB GLU 107 5.923 -11.938 -11.929 842 HG2 GLU 107 2HG GLU 107 4.489 -12.079 -9.939 843 HG3 GLU 107 3HG GLU 107 3.500 -13.313 -10.715 Start of MODEL 17 1 H1 MET 1 1H MET 1 2.647 -13.048 26.266 2 H2 MET 1 2H MET 1 3.397 -11.541 26.376 3 H3 MET 1 3H MET 1 3.763 -12.741 27.502 4 HA MET 1 HA MET 1 4.343 -12.819 24.608 5 HB2 MET 1 2HB MET 1 5.848 -11.257 25.769 6 HB3 MET 1 3HB MET 1 6.212 -12.463 26.997 7 HG2 MET 1 2HG MET 1 7.312 -13.872 25.294 8 HG3 MET 1 3HG MET 1 6.952 -12.661 24.058 9 HE1 MET 1 3HE MET 1 9.885 -13.814 24.619 10 HE2 MET 1 1HE MET 1 10.850 -12.336 24.562 11 HE3 MET 1 2HE MET 1 9.561 -12.590 23.389 12 H GLY 2 H GLY 2 5.005 -14.366 27.771 13 HA2 GLY 2 2HA GLY 2 5.343 -16.518 28.443 14 HA3 GLY 2 3HA GLY 2 4.421 -17.031 27.032 15 H HIS 3 H HIS 3 5.519 -18.255 25.671 16 HA HIS 3 HA HIS 3 8.427 -17.945 25.309 17 HB2 HIS 3 2HB HIS 3 7.505 -20.262 25.697 18 HB3 HIS 3 3HB HIS 3 6.557 -20.115 24.224 19 HD1 HIS 3 HD1 HIS 3 10.012 -20.750 25.469 20 HD2 HIS 3 HD2 HIS 3 8.074 -20.337 21.825 21 HE1 HIS 3 HE1 HIS 3 11.619 -21.614 23.752 22 HE2 HIS 3 HE2 HIS 3 10.372 -21.476 21.569 23 H HIS 4 H HIS 4 9.236 -17.227 23.338 24 HA HIS 4 HA HIS 4 7.547 -15.517 21.768 25 HB2 HIS 4 2HB HIS 4 9.594 -14.822 20.625 26 HB3 HIS 4 3HB HIS 4 9.887 -14.909 22.351 27 HD1 HIS 4 HD1 HIS 4 11.355 -15.817 19.223 28 HD2 HIS 4 HD2 HIS 4 11.317 -17.531 22.999 29 HE1 HIS 4 HE1 HIS 4 13.287 -17.402 19.254 30 HE2 HIS 4 HE2 HIS 4 13.320 -18.343 21.587 31 H HIS 5 H HIS 5 6.051 -17.217 21.025 32 HA HIS 5 HA HIS 5 6.529 -18.105 18.356 33 HB2 HIS 5 2HB HIS 5 7.491 -19.931 20.247 34 HB3 HIS 5 3HB HIS 5 5.861 -20.530 19.989 35 HD1 HIS 5 HD1 HIS 5 6.452 -22.619 18.683 36 HD2 HIS 5 HD2 HIS 5 8.221 -19.204 17.103 37 HE1 HIS 5 HE1 HIS 5 7.555 -23.347 16.550 38 HE2 HIS 5 HE2 HIS 5 8.543 -21.251 15.566 39 H HIS 6 H HIS 6 4.610 -18.346 21.320 40 HA HIS 6 HA HIS 6 2.073 -18.039 19.803 41 HB2 HIS 6 2HB HIS 6 2.199 -19.884 21.491 42 HB3 HIS 6 3HB HIS 6 2.549 -18.711 22.751 43 HD1 HIS 6 HD1 HIS 6 -0.276 -19.587 20.334 44 HD2 HIS 6 HD2 HIS 6 0.309 -17.804 24.034 45 HE1 HIS 6 HE1 HIS 6 -2.573 -19.102 21.223 46 HE2 HIS 6 HE2 HIS 6 -2.180 -18.230 23.551 47 H HIS 7 H HIS 7 4.086 -15.966 20.016 48 HA HIS 7 HA HIS 7 3.332 -13.906 21.837 49 HB2 HIS 7 2HB HIS 7 5.529 -13.814 20.795 50 HB3 HIS 7 3HB HIS 7 4.827 -13.816 19.183 51 HD1 HIS 7 HD1 HIS 7 4.920 -11.579 18.135 52 HD2 HIS 7 HD2 HIS 7 4.562 -11.289 22.262 53 HE1 HIS 7 HE1 HIS 7 4.995 -9.126 18.646 54 HE2 HIS 7 HE2 HIS 7 4.991 -8.998 21.160 55 H HIS 8 H HIS 8 1.602 -12.577 21.758 56 HA HIS 8 HA HIS 8 -0.507 -12.941 19.865 57 HB2 HIS 8 2HB HIS 8 -0.159 -11.033 22.209 58 HB3 HIS 8 3HB HIS 8 -1.612 -11.062 21.217 59 HD1 HIS 8 HD1 HIS 8 -3.405 -12.287 22.397 60 HD2 HIS 8 HD2 HIS 8 0.324 -13.979 23.131 61 HE1 HIS 8 HE1 HIS 8 -3.840 -14.281 23.857 62 HE2 HIS 8 HE2 HIS 8 -1.558 -15.180 24.426 63 H SER 9 H SER 9 0.542 -12.421 17.953 64 HA SER 9 HA SER 9 -0.068 -9.891 16.890 65 HB2 SER 9 2HB SER 9 2.104 -9.202 17.898 66 HB3 SER 9 3HB SER 9 2.920 -10.524 17.059 67 HG SER 9 HG SER 9 3.200 -8.792 15.771 68 H HIS 10 H HIS 10 -1.304 -11.542 15.834 69 HA HIS 10 HA HIS 10 -0.164 -13.623 14.265 70 HB2 HIS 10 2HB HIS 10 -2.520 -13.685 15.088 71 HB3 HIS 10 3HB HIS 10 -2.923 -12.338 14.028 72 HD1 HIS 10 HD1 HIS 10 -3.157 -12.853 11.485 73 HD2 HIS 10 HD2 HIS 10 -2.253 -16.185 13.791 74 HE1 HIS 10 HE1 HIS 10 -3.554 -14.832 9.999 75 HE2 HIS 10 HE2 HIS 10 -2.855 -16.829 11.372 76 H MET 11 H MET 11 -1.538 -10.445 13.428 77 HA MET 11 HA MET 11 0.408 -10.046 11.340 78 HB2 MET 11 2HB MET 11 -1.366 -11.367 10.141 79 HB3 MET 11 3HB MET 11 -2.548 -10.132 10.556 80 HG2 MET 11 2HG MET 11 -1.197 -8.474 9.263 81 HG3 MET 11 3HG MET 11 -0.122 -9.785 8.773 82 HE1 MET 11 3HE MET 11 -1.625 -7.784 6.753 83 HE2 MET 11 1HE MET 11 -2.114 -8.921 5.500 84 HE3 MET 11 2HE MET 11 -0.519 -9.058 6.236 85 H PHE 12 H PHE 12 0.600 -8.586 13.362 86 HA PHE 12 HA PHE 12 -0.899 -6.112 13.254 87 HB2 PHE 12 2HB PHE 12 1.603 -7.007 14.723 88 HB3 PHE 12 3HB PHE 12 1.179 -5.301 14.677 89 HD1 PHE 12 HD2 PHE 12 -1.043 -8.326 15.109 90 HD2 PHE 12 HD1 PHE 12 0.536 -4.756 16.875 91 HE1 PHE 12 HE2 PHE 12 -2.509 -8.624 17.057 92 HE2 PHE 12 HE1 PHE 12 -0.937 -5.074 18.817 93 HZ PHE 12 HZ PHE 12 -2.462 -7.006 18.908 94 H ILE 13 H ILE 13 -0.371 -4.257 12.115 95 HA ILE 13 HA ILE 13 1.801 -4.446 10.126 96 HB ILE 13 HB ILE 13 -0.584 -2.523 10.110 97 HG12 ILE 13 2HG1 ILE 13 -0.267 -5.161 8.582 98 HG13 ILE 13 3HG1 ILE 13 -1.353 -4.905 9.941 99 HG21 ILE 13 1HG2 ILE 13 1.396 -3.259 7.909 100 HG22 ILE 13 2HG2 ILE 13 1.363 -1.738 8.801 101 HG23 ILE 13 3HG2 ILE 13 0.025 -2.158 7.730 102 HD11 ILE 13 3HD1 ILE 13 -2.638 -3.299 8.606 103 HD12 ILE 13 1HD1 ILE 13 -2.554 -4.884 7.838 104 HD13 ILE 13 2HD1 ILE 13 -1.549 -3.565 7.241 105 H GLN 14 H GLN 14 3.600 -3.371 10.706 106 HA GLN 14 HA GLN 14 3.465 -1.176 12.699 107 HB2 GLN 14 2HB GLN 14 5.809 -1.794 13.291 108 HB3 GLN 14 3HB GLN 14 4.685 -3.123 13.557 109 HG2 GLN 14 2HG GLN 14 5.440 -4.223 11.496 110 HG3 GLN 14 3HG GLN 14 6.490 -2.853 11.134 111 HE21 GLN 14 1HE2 GLN 14 6.061 -5.655 13.162 112 HE22 GLN 14 2HE2 GLN 14 7.663 -5.701 13.796 113 H THR 15 H THR 15 4.610 0.715 12.269 114 HA THR 15 HA THR 15 5.133 1.208 9.390 115 HB THR 15 HB THR 15 4.799 3.647 9.983 116 HG1 THR 15 HG1 THR 15 4.807 2.584 12.503 117 HG21 THR 15 3HG2 THR 15 2.913 2.277 9.112 118 HG22 THR 15 1HG2 THR 15 2.357 3.511 10.248 119 HG23 THR 15 2HG2 THR 15 2.490 1.829 10.768 120 H GLN 16 H GLN 16 7.000 2.103 8.658 121 HA GLN 16 HA GLN 16 9.247 2.574 10.542 122 HB2 GLN 16 2HB GLN 16 9.491 0.455 9.260 123 HB3 GLN 16 3HB GLN 16 9.336 1.336 7.750 124 HG2 GLN 16 2HG GLN 16 11.677 0.712 8.234 125 HG3 GLN 16 3HG GLN 16 11.478 2.461 8.139 126 HE21 GLN 16 1HE2 GLN 16 11.989 -0.245 10.311 127 HE22 GLN 16 2HE2 GLN 16 12.601 0.674 11.633 128 H ASP 17 H ASP 17 10.548 4.320 10.160 129 HA ASP 17 HA ASP 17 9.671 6.628 8.863 130 HB2 ASP 17 2HB ASP 17 11.341 6.643 10.685 131 HB3 ASP 17 3HB ASP 17 12.506 5.822 9.660 132 H THR 18 H THR 18 9.642 7.199 6.769 133 HA THR 18 HA THR 18 11.085 5.561 4.771 134 HB THR 18 HB THR 18 8.747 7.384 4.154 135 HG1 THR 18 HG1 THR 18 8.691 5.247 5.820 136 HG21 THR 18 3HG2 THR 18 9.831 6.335 2.218 137 HG22 THR 18 1HG2 THR 18 8.205 5.689 2.439 138 HG23 THR 18 2HG2 THR 18 9.608 4.741 2.943 139 HA PRO 19 HA PRO 19 13.725 9.085 3.912 140 HB2 PRO 19 2HB PRO 19 13.933 8.132 1.080 141 HB3 PRO 19 3HB PRO 19 15.205 8.281 2.310 142 HG2 PRO 19 2HG PRO 19 14.312 5.876 1.559 143 HG3 PRO 19 3HG PRO 19 14.740 6.210 3.255 144 HD2 PRO 19 2HD PRO 19 11.989 6.145 1.996 145 HD3 PRO 19 3HD PRO 19 12.525 5.430 3.528 146 H ASN 20 H ASN 20 11.103 8.396 1.619 147 HA ASN 20 HA ASN 20 10.758 11.211 0.903 148 HB2 ASN 20 2HB ASN 20 9.154 8.719 0.166 149 HB3 ASN 20 3HB ASN 20 8.749 10.341 -0.386 150 HD21 ASN 20 1HD2 ASN 20 9.390 8.047 -1.998 151 HD22 ASN 20 2HD2 ASN 20 10.776 8.463 -2.937 152 HA PRO 21 HA PRO 21 8.136 11.718 4.669 153 HB2 PRO 21 2HB PRO 21 7.685 14.429 3.452 154 HB3 PRO 21 3HB PRO 21 8.258 14.006 5.079 155 HG2 PRO 21 2HG PRO 21 9.953 14.990 3.287 156 HG3 PRO 21 3HG PRO 21 10.457 13.680 4.380 157 HD2 PRO 21 2HD PRO 21 9.627 13.493 1.482 158 HD3 PRO 21 3HD PRO 21 10.987 12.706 2.317 159 H ASN 22 H ASN 22 7.214 12.405 1.335 160 HA ASN 22 HA ASN 22 4.364 12.459 1.766 161 HB2 ASN 22 2HB ASN 22 6.009 12.140 -0.777 162 HB3 ASN 22 3HB ASN 22 4.249 12.199 -0.772 163 HD21 ASN 22 1HD2 ASN 22 4.214 14.057 -2.030 164 HD22 ASN 22 2HD2 ASN 22 4.670 15.607 -1.418 165 H SER 23 H SER 23 6.574 9.969 1.889 166 HA SER 23 HA SER 23 4.556 7.898 1.260 167 HB2 SER 23 2HB SER 23 7.592 7.629 1.209 168 HB3 SER 23 3HB SER 23 6.429 6.361 0.809 169 HG SER 23 HG SER 23 5.725 7.682 -0.924 170 H LEU 24 H LEU 24 4.166 6.351 2.833 171 HA LEU 24 HA LEU 24 5.982 6.186 5.158 172 HB2 LEU 24 2HB LEU 24 3.895 7.264 5.914 173 HB3 LEU 24 3HB LEU 24 2.948 5.942 5.256 174 HG LEU 24 HG LEU 24 3.877 4.383 6.939 175 HD11 LEU 24 1HD1 LEU 24 5.335 5.153 8.764 176 HD12 LEU 24 2HD1 LEU 24 5.484 6.733 7.988 177 HD13 LEU 24 3HD1 LEU 24 6.122 5.291 7.194 178 HD21 LEU 24 3HD2 LEU 24 2.850 5.317 8.960 179 HD22 LEU 24 1HD2 LEU 24 1.859 5.644 7.541 180 HD23 LEU 24 2HD2 LEU 24 2.847 6.930 8.240 181 H LYS 25 H LYS 25 6.749 4.227 5.485 182 HA LYS 25 HA LYS 25 5.948 2.020 3.791 183 HB2 LYS 25 2HB LYS 25 8.302 2.484 3.945 184 HB3 LYS 25 3HB LYS 25 8.265 2.516 5.705 185 HG2 LYS 25 2HG LYS 25 7.999 0.155 5.843 186 HG3 LYS 25 3HG LYS 25 7.621 0.015 4.129 187 HD2 LYS 25 2HD LYS 25 10.333 1.000 5.068 188 HD3 LYS 25 3HD LYS 25 9.976 -0.722 4.950 189 HE2 LYS 25 2HE LYS 25 11.112 0.031 2.930 190 HE3 LYS 25 3HE LYS 25 9.463 -0.442 2.538 191 HZ1 LYS 25 3HZ LYS 25 10.401 2.344 2.917 192 HZ2 LYS 25 1HZ LYS 25 8.850 1.872 2.435 193 HZ3 LYS 25 2HZ LYS 25 10.172 1.591 1.424 194 H PHE 26 H PHE 26 4.455 0.684 4.448 195 HA PHE 26 HA PHE 26 3.876 0.171 7.295 196 HB2 PHE 26 2HB PHE 26 2.272 -0.534 4.775 197 HB3 PHE 26 3HB PHE 26 1.751 -0.810 6.436 198 HD1 PHE 26 HD1 PHE 26 1.111 1.105 7.879 199 HD2 PHE 26 HD2 PHE 26 2.113 1.692 3.763 200 HE1 PHE 26 HE1 PHE 26 0.074 3.318 7.936 201 HE2 PHE 26 HE2 PHE 26 1.070 3.916 3.833 202 HZ PHE 26 HZ PHE 26 0.042 4.731 5.918 203 H ILE 27 H ILE 27 4.599 -1.769 8.088 204 HA ILE 27 HA ILE 27 5.375 -3.941 6.225 205 HB ILE 27 HB ILE 27 6.260 -3.522 9.131 206 HG12 ILE 27 2HG1 ILE 27 8.620 -3.480 7.970 207 HG13 ILE 27 3HG1 ILE 27 7.739 -3.190 6.479 208 HG21 ILE 27 1HG2 ILE 27 7.709 -5.517 8.838 209 HG22 ILE 27 2HG2 ILE 27 7.005 -5.788 7.242 210 HG23 ILE 27 3HG2 ILE 27 5.998 -5.921 8.683 211 HD11 ILE 27 3HD1 ILE 27 6.851 -1.122 7.404 212 HD12 ILE 27 1HD1 ILE 27 8.613 -1.152 7.446 213 HD13 ILE 27 2HD1 ILE 27 7.695 -1.431 8.926 214 HA PRO 28 HA PRO 28 1.387 -5.576 7.965 215 HB2 PRO 28 2HB PRO 28 0.962 -7.388 5.903 216 HB3 PRO 28 3HB PRO 28 0.471 -5.686 5.802 217 HG2 PRO 28 2HG PRO 28 2.932 -7.004 4.694 218 HG3 PRO 28 3HG PRO 28 1.847 -5.817 3.929 219 HD2 PRO 28 2HD PRO 28 4.214 -5.070 5.005 220 HD3 PRO 28 3HD PRO 28 2.793 -4.005 5.074 221 H GLY 29 H GLY 29 4.459 -6.932 7.244 222 HA2 GLY 29 2HA GLY 29 5.656 -8.444 8.525 223 HA3 GLY 29 3HA GLY 29 4.175 -8.979 9.303 224 H LYS 30 H LYS 30 2.866 -9.362 6.640 225 HA LYS 30 HA LYS 30 3.907 -11.987 5.968 226 HB2 LYS 30 2HB LYS 30 1.426 -10.477 5.047 227 HB3 LYS 30 3HB LYS 30 1.856 -12.100 4.498 228 HG2 LYS 30 2HG LYS 30 1.788 -12.870 6.877 229 HG3 LYS 30 3HG LYS 30 1.210 -11.269 7.348 230 HD2 LYS 30 2HD LYS 30 -0.842 -11.577 6.084 231 HD3 LYS 30 3HD LYS 30 -0.228 -13.071 5.364 232 HE2 LYS 30 2HE LYS 30 -0.799 -12.667 8.325 233 HE3 LYS 30 3HE LYS 30 -1.846 -13.523 7.191 234 HZ1 LYS 30 3HZ LYS 30 -0.471 -15.056 8.450 235 HZ2 LYS 30 1HZ LYS 30 0.941 -14.299 7.899 236 HZ3 LYS 30 2HZ LYS 30 -0.063 -15.119 6.810 237 HA PRO 31 HA PRO 31 6.358 -10.426 2.567 238 HB2 PRO 31 2HB PRO 31 6.649 -12.770 1.121 239 HB3 PRO 31 3HB PRO 31 7.545 -12.414 2.614 240 HG2 PRO 31 2HG PRO 31 5.067 -14.077 2.251 241 HG3 PRO 31 3HG PRO 31 6.515 -14.416 3.228 242 HD2 PRO 31 2HD PRO 31 4.237 -13.480 4.340 243 HD3 PRO 31 3HD PRO 31 5.834 -13.010 4.965 244 H VAL 32 H VAL 32 4.811 -9.014 1.649 245 HA VAL 32 HA VAL 32 2.772 -9.872 -0.134 246 HB VAL 32 HB VAL 32 2.489 -7.511 -0.778 247 HG11 VAL 32 1HG1 VAL 32 2.860 -7.899 2.215 248 HG12 VAL 32 2HG1 VAL 32 1.416 -8.269 1.274 249 HG13 VAL 32 3HG1 VAL 32 1.929 -6.598 1.467 250 HG21 VAL 32 3HG2 VAL 32 4.936 -6.884 0.918 251 HG22 VAL 32 1HG2 VAL 32 3.854 -5.697 0.183 252 HG23 VAL 32 2HG2 VAL 32 4.835 -6.749 -0.839 253 H LEU 33 H LEU 33 6.074 -8.602 -0.709 254 HA LEU 33 HA LEU 33 6.242 -10.343 -3.062 255 HB2 LEU 33 2HB LEU 33 6.949 -7.380 -3.104 256 HB3 LEU 33 3HB LEU 33 7.631 -8.521 -4.251 257 HG LEU 33 HG LEU 33 4.688 -7.776 -4.004 258 HD11 LEU 33 1HD1 LEU 33 4.979 -6.783 -6.218 259 HD12 LEU 33 2HD1 LEU 33 6.695 -7.197 -6.200 260 HD13 LEU 33 3HD1 LEU 33 6.052 -6.032 -5.040 261 HD21 LEU 33 3HD2 LEU 33 4.890 -10.139 -4.634 262 HD22 LEU 33 1HD2 LEU 33 5.998 -9.715 -5.946 263 HD23 LEU 33 2HD2 LEU 33 4.318 -9.173 -5.989 264 H GLU 34 H GLU 34 7.381 -11.620 -1.431 265 HA GLU 34 HA GLU 34 9.903 -10.787 -0.328 266 HB2 GLU 34 2HB GLU 34 10.253 -13.224 0.139 267 HB3 GLU 34 3HB GLU 34 8.685 -12.648 0.687 268 HG2 GLU 34 2HG GLU 34 7.599 -13.636 -1.288 269 HG3 GLU 34 3HG GLU 34 9.164 -14.185 -1.883 270 H THR 35 H THR 35 8.867 -12.135 -3.366 271 HA THR 35 HA THR 35 11.427 -13.157 -4.212 272 HB THR 35 HB THR 35 9.288 -14.273 -4.824 273 HG1 THR 35 HG1 THR 35 11.182 -14.468 -6.175 274 HG21 THR 35 3HG2 THR 35 7.877 -12.249 -5.161 275 HG22 THR 35 1HG2 THR 35 7.804 -13.344 -6.544 276 HG23 THR 35 2HG2 THR 35 8.781 -11.879 -6.632 277 H ARG 36 H ARG 36 9.818 -10.076 -4.425 278 HA ARG 36 HA ARG 36 11.846 -8.889 -6.109 279 HB2 ARG 36 2HB ARG 36 10.395 -8.281 -8.005 280 HB3 ARG 36 3HB ARG 36 10.411 -10.035 -7.826 281 HG2 ARG 36 2HG ARG 36 8.209 -9.978 -6.743 282 HG3 ARG 36 3HG ARG 36 8.203 -8.217 -6.793 283 HD2 ARG 36 2HD ARG 36 6.782 -9.045 -8.550 284 HD3 ARG 36 3HD ARG 36 8.220 -8.326 -9.280 285 HE ARG 36 HE ARG 36 8.862 -10.965 -9.101 286 HH11 ARG 36 1HH1 ARG 36 6.131 -9.260 -10.551 287 HH12 ARG 36 2HH1 ARG 36 5.883 -10.468 -11.770 288 HH21 ARG 36 1HH2 ARG 36 8.501 -12.540 -10.723 289 HH22 ARG 36 2HH2 ARG 36 7.215 -12.316 -11.873 290 H THR 37 H THR 37 10.740 -6.620 -6.899 291 HA THR 37 HA THR 37 8.966 -5.442 -4.857 292 HB THR 37 HB THR 37 10.378 -3.255 -5.257 293 HG1 THR 37 HG1 THR 37 12.497 -5.077 -5.746 294 HG21 THR 37 3HG2 THR 37 11.639 -5.497 -3.630 295 HG22 THR 37 1HG2 THR 37 10.385 -4.391 -3.065 296 HG23 THR 37 2HG2 THR 37 11.990 -3.775 -3.460 297 H MET 38 H MET 38 7.557 -3.813 -5.755 298 HA MET 38 HA MET 38 7.589 -3.284 -8.637 299 HB2 MET 38 2HB MET 38 5.300 -4.778 -7.281 300 HB3 MET 38 3HB MET 38 5.065 -3.895 -8.779 301 HG2 MET 38 2HG MET 38 6.698 -5.350 -9.908 302 HG3 MET 38 3HG MET 38 6.980 -6.216 -8.399 303 HE1 MET 38 3HE MET 38 3.040 -6.416 -10.826 304 HE2 MET 38 1HE MET 38 4.494 -5.592 -11.387 305 HE3 MET 38 2HE MET 38 3.578 -4.936 -10.030 306 H ASP 39 H ASP 39 6.600 -1.345 -9.159 307 HA ASP 39 HA ASP 39 5.343 0.207 -6.959 308 HB2 ASP 39 2HB ASP 39 6.475 2.228 -7.653 309 HB3 ASP 39 3HB ASP 39 7.693 0.983 -7.413 310 H PHE 40 H PHE 40 3.735 1.612 -7.520 311 HA PHE 40 HA PHE 40 2.714 1.704 -10.288 312 HB2 PHE 40 2HB PHE 40 0.950 1.282 -7.824 313 HB3 PHE 40 3HB PHE 40 0.401 1.401 -9.494 314 HD1 PHE 40 HD2 PHE 40 1.415 -0.400 -11.155 315 HD2 PHE 40 HD1 PHE 40 1.276 -0.878 -6.903 316 HE1 PHE 40 HE2 PHE 40 1.628 -2.831 -11.415 317 HE2 PHE 40 HE1 PHE 40 1.498 -3.307 -7.184 318 HZ PHE 40 HZ PHE 40 1.670 -4.285 -9.433 319 HA PRO 41 HA PRO 41 3.133 5.976 -8.516 320 HB2 PRO 41 2HB PRO 41 3.788 7.245 -10.853 321 HB3 PRO 41 3HB PRO 41 4.980 6.307 -9.929 322 HG2 PRO 41 2HG PRO 41 3.408 5.464 -12.357 323 HG3 PRO 41 3HG PRO 41 5.143 5.256 -12.013 324 HD2 PRO 41 2HD PRO 41 3.336 3.242 -11.613 325 HD3 PRO 41 3HD PRO 41 4.790 3.424 -10.603 326 H THR 42 H THR 42 1.105 4.587 -10.930 327 HA THR 42 HA THR 42 -0.910 6.732 -10.696 328 HB THR 42 HB THR 42 -1.561 6.186 -13.102 329 HG1 THR 42 HG1 THR 42 1.011 5.077 -13.442 330 HG21 THR 42 3HG2 THR 42 1.253 7.294 -12.746 331 HG22 THR 42 1HG2 THR 42 -0.244 8.228 -12.652 332 HG23 THR 42 2HG2 THR 42 0.248 7.496 -14.181 333 HA PRO 43 HA PRO 43 -3.753 3.342 -9.680 334 HB2 PRO 43 2HB PRO 43 -6.107 4.364 -10.818 335 HB3 PRO 43 3HB PRO 43 -5.467 4.842 -9.232 336 HG2 PRO 43 2HG PRO 43 -5.150 6.226 -11.883 337 HG3 PRO 43 3HG PRO 43 -5.513 6.923 -10.285 338 HD2 PRO 43 2HD PRO 43 -3.028 7.048 -11.288 339 HD3 PRO 43 3HD PRO 43 -3.279 6.749 -9.554 340 H ALA 44 H ALA 44 -3.454 4.482 -13.017 341 HA ALA 44 HA ALA 44 -4.981 2.455 -14.290 342 HB1 ALA 44 3HB ALA 44 -2.736 4.119 -15.468 343 HB2 ALA 44 1HB ALA 44 -4.434 4.589 -15.391 344 HB3 ALA 44 2HB ALA 44 -3.945 3.214 -16.382 345 H ALA 45 H ALA 45 -1.495 2.674 -13.549 346 HA ALA 45 HA ALA 45 -0.727 0.246 -14.854 347 HB1 ALA 45 3HB ALA 45 0.862 2.073 -14.413 348 HB2 ALA 45 1HB ALA 45 1.420 0.566 -13.681 349 HB3 ALA 45 2HB ALA 45 0.691 1.822 -12.676 350 H ALA 46 H ALA 46 -2.312 0.859 -11.880 351 HA ALA 46 HA ALA 46 -1.206 -1.164 -10.223 352 HB1 ALA 46 3HB ALA 46 -2.265 0.871 -9.366 353 HB2 ALA 46 1HB ALA 46 -2.998 -0.579 -8.674 354 HB3 ALA 46 2HB ALA 46 -3.833 0.312 -9.952 355 H PHE 47 H PHE 47 -3.267 -1.576 -12.851 356 HA PHE 47 HA PHE 47 -5.115 -3.501 -11.943 357 HB2 PHE 47 2HB PHE 47 -5.601 -3.992 -14.235 358 HB3 PHE 47 3HB PHE 47 -5.301 -2.267 -14.116 359 HD1 PHE 47 HD1 PHE 47 -2.597 -1.713 -14.505 360 HD2 PHE 47 HD2 PHE 47 -4.767 -4.994 -16.188 361 HE1 PHE 47 HE1 PHE 47 -0.989 -1.835 -16.348 362 HE2 PHE 47 HE2 PHE 47 -3.147 -5.104 -18.025 363 HZ PHE 47 HZ PHE 47 -1.256 -3.532 -18.113 364 H ARG 48 H ARG 48 -1.743 -3.841 -12.377 365 HA ARG 48 HA ARG 48 -1.563 -6.639 -12.906 366 HB2 ARG 48 2HB ARG 48 0.434 -4.733 -11.606 367 HB3 ARG 48 3HB ARG 48 0.812 -6.386 -12.096 368 HG2 ARG 48 2HG ARG 48 0.007 -4.098 -13.929 369 HG3 ARG 48 3HG ARG 48 1.620 -4.809 -13.774 370 HD2 ARG 48 2HD ARG 48 0.663 -6.992 -14.573 371 HD3 ARG 48 3HD ARG 48 -0.879 -6.172 -14.844 372 HE ARG 48 HE ARG 48 1.310 -4.906 -16.190 373 HH11 ARG 48 1HH1 ARG 48 -1.009 -7.542 -16.472 374 HH12 ARG 48 2HH1 ARG 48 -0.912 -7.594 -18.201 375 HH21 ARG 48 1HH2 ARG 48 1.395 -4.971 -18.459 376 HH22 ARG 48 2HH2 ARG 48 0.444 -6.138 -19.325 377 H SER 49 H SER 49 -2.437 -4.896 -10.073 378 HA SER 49 HA SER 49 -2.243 -7.298 -8.372 379 HB2 SER 49 2HB SER 49 -1.364 -4.508 -7.509 380 HB3 SER 49 3HB SER 49 -1.303 -5.974 -6.528 381 HG SER 49 HG SER 49 0.048 -6.653 -8.564 382 HA PRO 50 HA PRO 50 -6.488 -5.899 -7.589 383 HB2 PRO 50 2HB PRO 50 -6.545 -7.875 -5.361 384 HB3 PRO 50 3HB PRO 50 -7.536 -7.817 -6.827 385 HG2 PRO 50 2HG PRO 50 -5.635 -9.687 -6.481 386 HG3 PRO 50 3HG PRO 50 -6.016 -9.009 -8.079 387 HD2 PRO 50 2HD PRO 50 -3.705 -8.341 -6.257 388 HD3 PRO 50 3HD PRO 50 -3.727 -8.564 -8.022 389 H LEU 51 H LEU 51 -4.201 -6.424 -4.881 390 HA LEU 51 HA LEU 51 -5.593 -4.869 -2.950 391 HB2 LEU 51 2HB LEU 51 -3.895 -6.539 -2.304 392 HB3 LEU 51 3HB LEU 51 -2.637 -5.589 -3.080 393 HG LEU 51 HG LEU 51 -2.912 -3.785 -1.402 394 HD11 LEU 51 1HD1 LEU 51 -5.033 -5.526 -0.116 395 HD12 LEU 51 2HD1 LEU 51 -5.305 -3.995 -0.948 396 HD13 LEU 51 3HD1 LEU 51 -4.377 -4.026 0.549 397 HD21 LEU 51 3HD2 LEU 51 -2.593 -6.504 -0.099 398 HD22 LEU 51 1HD2 LEU 51 -2.071 -4.958 0.583 399 HD23 LEU 51 2HD2 LEU 51 -1.325 -5.566 -0.893 400 H ALA 52 H ALA 52 -3.102 -4.099 -5.348 401 HA ALA 52 HA ALA 52 -2.500 -1.450 -4.574 402 HB1 ALA 52 3HB ALA 52 -1.700 -1.129 -6.880 403 HB2 ALA 52 1HB ALA 52 -2.513 -2.616 -7.381 404 HB3 ALA 52 2HB ALA 52 -1.169 -2.685 -6.240 405 H ARG 53 H ARG 53 -4.912 -2.715 -6.888 406 HA ARG 53 HA ARG 53 -6.167 -0.326 -7.625 407 HB2 ARG 53 2HB ARG 53 -7.290 -3.157 -7.443 408 HB3 ARG 53 3HB ARG 53 -8.152 -1.807 -8.181 409 HG2 ARG 53 2HG ARG 53 -6.321 -1.549 -9.835 410 HG3 ARG 53 3HG ARG 53 -5.496 -2.939 -9.128 411 HD2 ARG 53 2HD ARG 53 -8.302 -3.077 -10.292 412 HD3 ARG 53 3HD ARG 53 -6.847 -3.392 -11.236 413 HE ARG 53 HE ARG 53 -6.382 -5.212 -9.548 414 HH11 ARG 53 1HH1 ARG 53 -9.698 -4.266 -10.290 415 HH12 ARG 53 2HH1 ARG 53 -10.353 -5.821 -9.894 416 HH21 ARG 53 1HH2 ARG 53 -7.263 -7.244 -9.109 417 HH22 ARG 53 2HH2 ARG 53 -8.970 -7.509 -9.224 418 H GLN 54 H GLN 54 -6.796 -2.484 -4.865 419 HA GLN 54 HA GLN 54 -9.140 -1.203 -3.896 420 HB2 GLN 54 2HB GLN 54 -7.136 -2.962 -2.434 421 HB3 GLN 54 3HB GLN 54 -8.709 -2.489 -1.790 422 HG2 GLN 54 2HG GLN 54 -9.848 -3.731 -3.546 423 HG3 GLN 54 3HG GLN 54 -8.311 -4.116 -4.318 424 HE21 GLN 54 1HE2 GLN 54 -10.286 -5.996 -3.424 425 HE22 GLN 54 2HE2 GLN 54 -9.555 -6.979 -2.209 426 H LEU 55 H LEU 55 -5.708 -0.784 -3.156 427 HA LEU 55 HA LEU 55 -6.026 1.123 -1.063 428 HB2 LEU 55 2HB LEU 55 -3.653 0.496 -2.850 429 HB3 LEU 55 3HB LEU 55 -3.572 1.627 -1.506 430 HG LEU 55 HG LEU 55 -4.248 -1.333 -1.221 431 HD11 LEU 55 1HD1 LEU 55 -1.625 0.047 -0.608 432 HD12 LEU 55 2HD1 LEU 55 -1.929 -1.065 -1.945 433 HD13 LEU 55 3HD1 LEU 55 -2.023 -1.645 -0.284 434 HD21 LEU 55 3HD2 LEU 55 -3.939 -0.981 1.187 435 HD22 LEU 55 1HD2 LEU 55 -5.234 0.035 0.561 436 HD23 LEU 55 2HD2 LEU 55 -3.656 0.741 0.918 437 H PHE 56 H PHE 56 -5.760 1.425 -4.597 438 HA PHE 56 HA PHE 56 -5.690 4.313 -4.619 439 HB2 PHE 56 2HB PHE 56 -6.055 2.205 -6.764 440 HB3 PHE 56 3HB PHE 56 -6.315 3.903 -7.142 441 HD1 PHE 56 HD1 PHE 56 -4.362 5.536 -6.489 442 HD2 PHE 56 HD2 PHE 56 -3.863 1.328 -7.020 443 HE1 PHE 56 HE1 PHE 56 -1.980 5.856 -6.924 444 HE2 PHE 56 HE2 PHE 56 -1.471 1.666 -7.439 445 HZ PHE 56 HZ PHE 56 -0.524 3.933 -7.396 446 H ARG 57 H ARG 57 -8.200 2.150 -3.949 447 HA ARG 57 HA ARG 57 -10.389 3.888 -4.783 448 HB2 ARG 57 2HB ARG 57 -10.308 1.429 -2.983 449 HB3 ARG 57 3HB ARG 57 -11.793 2.292 -3.390 450 HG2 ARG 57 2HG ARG 57 -11.590 1.712 -5.712 451 HG3 ARG 57 3HG ARG 57 -9.959 1.082 -5.480 452 HD2 ARG 57 2HD ARG 57 -11.590 -0.729 -5.724 453 HD3 ARG 57 3HD ARG 57 -10.842 -0.755 -4.129 454 HE ARG 57 HE ARG 57 -13.179 0.688 -3.836 455 HH11 ARG 57 1HH1 ARG 57 -12.334 -2.596 -4.793 456 HH12 ARG 57 2HH1 ARG 57 -13.819 -3.271 -4.204 457 HH21 ARG 57 1HH2 ARG 57 -15.108 -0.224 -3.046 458 HH22 ARG 57 2HH2 ARG 57 -15.389 -1.930 -3.219 459 H ILE 58 H ILE 58 -8.129 3.806 -2.232 460 HA ILE 58 HA ILE 58 -9.769 5.129 -0.208 461 HB ILE 58 HB ILE 58 -6.773 4.516 -0.273 462 HG12 ILE 58 2HG1 ILE 58 -8.983 3.033 1.229 463 HG13 ILE 58 3HG1 ILE 58 -8.224 2.467 -0.255 464 HG21 ILE 58 1HG2 ILE 58 -7.231 6.407 1.224 465 HG22 ILE 58 2HG2 ILE 58 -6.782 4.988 2.167 466 HG23 ILE 58 3HG2 ILE 58 -8.475 5.477 2.065 467 HD11 ILE 58 3HD1 ILE 58 -7.338 1.337 1.704 468 HD12 ILE 58 1HD1 ILE 58 -6.822 2.879 2.389 469 HD13 ILE 58 2HD1 ILE 58 -6.082 2.276 0.900 470 H GLU 59 H GLU 59 -10.031 7.299 -0.271 471 HA GLU 59 HA GLU 59 -8.713 8.970 -2.188 472 HB2 GLU 59 2HB GLU 59 -10.595 9.646 0.112 473 HB3 GLU 59 3HB GLU 59 -10.044 10.808 -1.095 474 HG2 GLU 59 2HG GLU 59 -11.137 9.559 -2.876 475 HG3 GLU 59 3HG GLU 59 -11.605 8.285 -1.748 476 H GLY 60 H GLY 60 -6.794 9.857 -1.960 477 HA2 GLY 60 2HA GLY 60 -5.349 11.327 -0.572 478 HA3 GLY 60 3HA GLY 60 -5.539 10.131 0.705 479 H VAL 61 H VAL 61 -5.456 7.981 -1.486 480 HA VAL 61 HA VAL 61 -2.562 7.578 -1.402 481 HB VAL 61 HB VAL 61 -4.824 5.789 -2.403 482 HG11 VAL 61 1HG1 VAL 61 -2.756 5.211 -3.606 483 HG12 VAL 61 2HG1 VAL 61 -3.162 3.940 -2.452 484 HG13 VAL 61 3HG1 VAL 61 -1.876 5.091 -2.080 485 HG21 VAL 61 3HG2 VAL 61 -4.428 4.483 -0.329 486 HG22 VAL 61 1HG2 VAL 61 -4.867 6.151 0.048 487 HG23 VAL 61 2HG2 VAL 61 -3.185 5.633 0.169 488 H LYS 62 H LYS 62 -1.348 8.408 -2.941 489 HA LYS 62 HA LYS 62 -2.354 8.955 -5.644 490 HB2 LYS 62 2HB LYS 62 -1.273 10.816 -4.451 491 HB3 LYS 62 3HB LYS 62 0.190 9.865 -4.240 492 HG2 LYS 62 2HG LYS 62 0.453 11.523 -6.034 493 HG3 LYS 62 3HG LYS 62 0.588 9.879 -6.663 494 HD2 LYS 62 2HD LYS 62 -1.800 10.026 -7.443 495 HD3 LYS 62 3HD LYS 62 -1.851 11.700 -6.881 496 HE2 LYS 62 2HE LYS 62 0.009 10.619 -9.025 497 HE3 LYS 62 3HE LYS 62 -1.467 11.538 -9.326 498 HZ1 LYS 62 3HZ LYS 62 0.460 12.961 -9.455 499 HZ2 LYS 62 1HZ LYS 62 0.948 12.524 -7.898 500 HZ3 LYS 62 2HZ LYS 62 -0.477 13.409 -8.123 501 H SER 63 H SER 63 -0.070 6.917 -3.910 502 HA SER 63 HA SER 63 0.472 5.364 -6.311 503 HB2 SER 63 2HB SER 63 2.782 6.607 -4.756 504 HB3 SER 63 3HB SER 63 2.928 5.484 -6.105 505 HG SER 63 HG SER 63 1.519 7.298 -7.149 506 H VAL 64 H VAL 64 1.282 3.286 -5.880 507 HA VAL 64 HA VAL 64 1.418 2.379 -3.054 508 HB VAL 64 HB VAL 64 0.021 0.956 -5.379 509 HG11 VAL 64 1HG1 VAL 64 0.515 -0.088 -2.554 510 HG12 VAL 64 2HG1 VAL 64 1.219 -0.725 -4.041 511 HG13 VAL 64 3HG1 VAL 64 -0.516 -0.871 -3.758 512 HG21 VAL 64 3HG2 VAL 64 -2.017 1.108 -3.977 513 HG22 VAL 64 1HG2 VAL 64 -1.372 2.708 -4.349 514 HG23 VAL 64 2HG2 VAL 64 -1.114 2.002 -2.752 515 H PHE 65 H PHE 65 3.164 1.156 -2.633 516 HA PHE 65 HA PHE 65 4.714 -0.121 -4.810 517 HB2 PHE 65 2HB PHE 65 5.955 1.866 -4.051 518 HB3 PHE 65 3HB PHE 65 5.769 1.391 -2.370 519 HD1 PHE 65 HD2 PHE 65 7.507 0.562 -5.554 520 HD2 PHE 65 HD1 PHE 65 7.308 -0.193 -1.345 521 HE1 PHE 65 HE2 PHE 65 9.650 -0.626 -5.660 522 HE2 PHE 65 HE1 PHE 65 9.454 -1.375 -1.465 523 HZ PHE 65 HZ PHE 65 10.627 -1.596 -3.618 524 H PHE 66 H PHE 66 5.135 -2.241 -4.448 525 HA PHE 66 HA PHE 66 4.722 -3.405 -1.764 526 HB2 PHE 66 2HB PHE 66 4.610 -4.762 -4.483 527 HB3 PHE 66 3HB PHE 66 4.387 -5.572 -2.941 528 HD1 PHE 66 HD2 PHE 66 2.497 -4.126 -1.424 529 HD2 PHE 66 HD1 PHE 66 2.617 -4.559 -5.675 530 HE1 PHE 66 HE2 PHE 66 0.072 -3.732 -1.532 531 HE2 PHE 66 HE1 PHE 66 0.196 -4.156 -5.769 532 HZ PHE 66 HZ PHE 66 -1.083 -3.749 -3.708 533 H GLY 67 H GLY 67 6.261 -4.735 -0.945 534 HA2 GLY 67 2HA GLY 67 8.783 -5.332 -2.286 535 HA3 GLY 67 3HA GLY 67 8.877 -4.206 -0.931 536 HA PRO 68 HA PRO 68 9.116 -8.783 0.445 537 HB2 PRO 68 2HB PRO 68 11.476 -8.494 1.927 538 HB3 PRO 68 3HB PRO 68 11.400 -9.060 0.246 539 HG2 PRO 68 2HG PRO 68 12.028 -6.314 1.286 540 HG3 PRO 68 3HG PRO 68 12.776 -7.214 -0.054 541 HD2 PRO 68 2HD PRO 68 10.970 -5.255 -0.510 542 HD3 PRO 68 3HD PRO 68 11.049 -6.696 -1.549 543 H ASP 69 H ASP 69 7.381 -8.618 1.730 544 HA ASP 69 HA ASP 69 6.144 -8.665 3.603 545 HB2 ASP 69 2HB ASP 69 8.766 -8.101 5.052 546 HB3 ASP 69 3HB ASP 69 7.257 -8.510 5.863 547 H SER 70 H SER 70 6.761 -6.051 2.133 548 HA SER 70 HA SER 70 5.615 -4.224 4.111 549 HB2 SER 70 2HB SER 70 8.057 -4.033 4.444 550 HB3 SER 70 3HB SER 70 8.274 -3.639 2.740 551 HG SER 70 HG SER 70 6.736 -2.148 4.599 552 H ILE 71 H ILE 71 4.364 -2.665 3.253 553 HA ILE 71 HA ILE 71 4.204 -2.227 0.336 554 HB ILE 71 HB ILE 71 1.961 -1.930 2.405 555 HG12 ILE 71 2HG1 ILE 71 2.295 -4.155 0.338 556 HG13 ILE 71 3HG1 ILE 71 2.599 -4.328 2.061 557 HG21 ILE 71 1HG2 ILE 71 0.449 -1.659 0.453 558 HG22 ILE 71 2HG2 ILE 71 1.836 -1.763 -0.634 559 HG23 ILE 71 3HG2 ILE 71 1.696 -0.409 0.488 560 HD11 ILE 71 3HD1 ILE 71 0.233 -3.880 2.515 561 HD12 ILE 71 1HD1 ILE 71 0.463 -5.272 1.458 562 HD13 ILE 71 2HD1 ILE 71 -0.066 -3.734 0.781 563 H THR 72 H THR 72 5.045 -0.159 -0.086 564 HA THR 72 HA THR 72 4.875 1.921 2.010 565 HB THR 72 HB THR 72 6.536 1.881 -0.557 566 HG1 THR 72 HG1 THR 72 7.079 0.290 1.136 567 HG21 THR 72 3HG2 THR 72 6.707 3.731 1.863 568 HG22 THR 72 1HG2 THR 72 6.084 4.184 0.279 569 HG23 THR 72 2HG2 THR 72 7.787 3.758 0.466 570 H VAL 73 H VAL 73 3.263 3.385 1.778 571 HA VAL 73 HA VAL 73 1.894 3.704 -0.836 572 HB VAL 73 HB VAL 73 0.869 4.279 1.992 573 HG11 VAL 73 1HG1 VAL 73 -0.641 4.480 -0.647 574 HG12 VAL 73 2HG1 VAL 73 -0.136 5.839 0.358 575 HG13 VAL 73 3HG1 VAL 73 -1.341 4.701 0.961 576 HG21 VAL 73 3HG2 VAL 73 1.016 1.850 1.541 577 HG22 VAL 73 1HG2 VAL 73 0.056 2.052 0.072 578 HG23 VAL 73 2HG2 VAL 73 -0.665 2.366 1.653 579 H THR 74 H THR 74 1.630 5.791 -1.658 580 HA THR 74 HA THR 74 3.032 8.015 -0.301 581 HB THR 74 HB THR 74 2.571 7.606 -3.290 582 HG1 THR 74 HG1 THR 74 4.731 7.048 -3.361 583 HG21 THR 74 3HG2 THR 74 4.208 9.742 -1.857 584 HG22 THR 74 1HG2 THR 74 2.676 10.017 -2.693 585 HG23 THR 74 2HG2 THR 74 4.104 9.524 -3.605 586 H LYS 75 H LYS 75 1.955 9.962 -0.126 587 HA LYS 75 HA LYS 75 -0.950 9.936 -0.269 588 HB2 LYS 75 2HB LYS 75 -0.828 11.960 1.106 589 HB3 LYS 75 3HB LYS 75 0.219 10.720 1.793 590 HG2 LYS 75 2HG LYS 75 2.175 11.848 0.658 591 HG3 LYS 75 3HG LYS 75 1.080 13.139 0.168 592 HD2 LYS 75 2HD LYS 75 2.315 13.842 2.132 593 HD3 LYS 75 3HD LYS 75 0.619 13.634 2.566 594 HE2 LYS 75 2HE LYS 75 1.134 11.490 3.636 595 HE3 LYS 75 3HE LYS 75 2.812 11.605 3.104 596 HZ1 LYS 75 3HZ LYS 75 1.487 13.505 4.953 597 HZ2 LYS 75 1HZ LYS 75 3.118 13.510 4.495 598 HZ3 LYS 75 2HZ LYS 75 2.502 12.241 5.423 599 H GLU 76 H GLU 76 -2.133 11.778 -1.190 600 HA GLU 76 HA GLU 76 -1.415 12.604 -3.792 601 HB2 GLU 76 2HB GLU 76 -3.508 13.651 -1.842 602 HB3 GLU 76 3HB GLU 76 -3.347 14.273 -3.477 603 HG2 GLU 76 2HG GLU 76 -3.919 11.376 -2.815 604 HG3 GLU 76 3HG GLU 76 -5.160 12.574 -3.184 605 H ASN 77 H ASN 77 -1.684 14.548 -0.817 606 HA ASN 77 HA ASN 77 0.375 16.431 -1.812 607 HB2 ASN 77 2HB ASN 77 -0.996 18.331 -1.004 608 HB3 ASN 77 3HB ASN 77 -1.856 17.421 -2.237 609 HD21 ASN 77 1HD2 ASN 77 -1.818 18.379 1.091 610 HD22 ASN 77 2HD2 ASN 77 -3.377 17.757 1.502 611 H GLU 78 H GLU 78 1.368 17.685 -0.081 612 HA GLU 78 HA GLU 78 2.417 15.922 1.869 613 HB2 GLU 78 2HB GLU 78 2.739 18.945 1.685 614 HB3 GLU 78 3HB GLU 78 3.796 17.841 2.569 615 HG2 GLU 78 2HG GLU 78 4.543 16.819 0.502 616 HG3 GLU 78 3HG GLU 78 3.381 17.761 -0.432 617 H GLU 79 H GLU 79 -0.167 18.246 2.042 618 HA GLU 79 HA GLU 79 -0.157 18.739 4.856 619 HB2 GLU 79 2HB GLU 79 -1.131 20.210 2.972 620 HB3 GLU 79 3HB GLU 79 -2.505 19.120 2.945 621 HG2 GLU 79 2HG GLU 79 -1.677 20.602 5.459 622 HG3 GLU 79 3HG GLU 79 -2.712 21.345 4.248 623 H LEU 80 H LEU 80 -1.329 16.106 2.889 624 HA LEU 80 HA LEU 80 -3.366 15.101 4.598 625 HB2 LEU 80 2HB LEU 80 -1.608 13.712 2.548 626 HB3 LEU 80 3HB LEU 80 -2.872 12.879 3.445 627 HG LEU 80 HG LEU 80 -3.328 15.200 1.532 628 HD11 LEU 80 1HD1 LEU 80 -4.371 13.520 0.080 629 HD12 LEU 80 2HD1 LEU 80 -3.910 12.249 1.216 630 HD13 LEU 80 3HD1 LEU 80 -2.666 13.167 0.362 631 HD21 LEU 80 3HD2 LEU 80 -5.333 13.485 3.048 632 HD22 LEU 80 1HD2 LEU 80 -5.732 14.688 1.817 633 HD23 LEU 80 2HD2 LEU 80 -4.998 15.195 3.335 634 H ASP 81 H ASP 81 -3.072 14.478 6.563 635 HA ASP 81 HA ASP 81 -0.534 13.556 7.654 636 HB2 ASP 81 2HB ASP 81 -1.943 15.065 8.996 637 HB3 ASP 81 3HB ASP 81 -3.297 13.942 8.900 638 H TRP 82 H TRP 82 -0.053 11.422 8.116 639 HA TRP 82 HA TRP 82 -1.378 9.487 6.523 640 HB2 TRP 82 2HB TRP 82 0.894 9.293 8.494 641 HB3 TRP 82 3HB TRP 82 0.173 7.819 7.860 642 HD1 TRP 82 HD1 TRP 82 2.927 10.102 7.078 643 HE1 TRP 82 HE1 TRP 82 3.700 9.804 4.644 644 HE3 TRP 82 HE3 TRP 82 -1.055 7.421 5.265 645 HZ2 TRP 82 HZ2 TRP 82 2.739 8.629 2.273 646 HZ3 TRP 82 HZ3 TRP 82 -1.040 6.755 2.896 647 HH2 TRP 82 HH2 TRP 82 0.822 7.349 1.436 648 H ASN 83 H ASN 83 -1.851 10.360 9.905 649 HA ASN 83 HA ASN 83 -2.901 7.913 10.892 650 HB2 ASN 83 2HB ASN 83 -3.440 10.769 11.797 651 HB3 ASN 83 3HB ASN 83 -3.985 9.341 12.676 652 HD21 ASN 83 1HD2 ASN 83 -1.212 11.291 11.797 653 HD22 ASN 83 2HD2 ASN 83 -0.119 10.583 12.932 654 H LEU 84 H LEU 84 -4.242 10.268 8.765 655 HA LEU 84 HA LEU 84 -7.037 9.673 9.142 656 HB2 LEU 84 2HB LEU 84 -5.619 10.970 6.777 657 HB3 LEU 84 3HB LEU 84 -7.345 11.030 7.114 658 HG LEU 84 HG LEU 84 -5.183 12.304 8.848 659 HD11 LEU 84 1HD1 LEU 84 -6.001 14.460 8.020 660 HD12 LEU 84 2HD1 LEU 84 -7.101 13.631 6.915 661 HD13 LEU 84 3HD1 LEU 84 -5.353 13.463 6.720 662 HD21 LEU 84 3HD2 LEU 84 -7.050 13.420 10.025 663 HD22 LEU 84 1HD2 LEU 84 -7.120 11.667 10.195 664 HD23 LEU 84 2HD2 LEU 84 -8.210 12.486 9.074 665 H LEU 85 H LEU 85 -4.509 8.727 6.808 666 HA LEU 85 HA LEU 85 -6.262 7.054 5.197 667 HB2 LEU 85 2HB LEU 85 -3.234 7.380 5.129 668 HB3 LEU 85 3HB LEU 85 -4.173 6.466 3.961 669 HG LEU 85 HG LEU 85 -5.381 8.757 3.496 670 HD11 LEU 85 1HD1 LEU 85 -2.831 9.827 4.729 671 HD12 LEU 85 2HD1 LEU 85 -4.467 10.048 5.352 672 HD13 LEU 85 3HD1 LEU 85 -4.013 10.764 3.807 673 HD21 LEU 85 3HD2 LEU 85 -4.005 7.619 1.838 674 HD22 LEU 85 1HD2 LEU 85 -2.532 8.279 2.560 675 HD23 LEU 85 2HD2 LEU 85 -3.704 9.352 1.791 676 H LYS 86 H LYS 86 -3.954 6.491 7.822 677 HA LYS 86 HA LYS 86 -3.206 3.888 7.362 678 HB2 LYS 86 2HB LYS 86 -3.504 5.348 9.995 679 HB3 LYS 86 3HB LYS 86 -2.785 3.744 9.875 680 HG2 LYS 86 2HG LYS 86 -1.009 4.613 8.438 681 HG3 LYS 86 3HG LYS 86 -1.751 6.205 8.429 682 HD2 LYS 86 2HD LYS 86 0.141 6.185 9.964 683 HD3 LYS 86 3HD LYS 86 -1.355 6.401 10.875 684 HE2 LYS 86 2HE LYS 86 -1.315 3.976 11.448 685 HE3 LYS 86 3HE LYS 86 0.205 3.816 10.565 686 HZ1 LYS 86 3HZ LYS 86 1.231 5.341 12.105 687 HZ2 LYS 86 1HZ LYS 86 0.536 4.045 12.938 688 HZ3 LYS 86 2HZ LYS 86 -0.231 5.549 12.929 689 HA PRO 87 HA PRO 87 -7.066 2.158 10.056 690 HB2 PRO 87 2HB PRO 87 -9.035 4.304 9.231 691 HB3 PRO 87 3HB PRO 87 -8.960 3.363 10.738 692 HG2 PRO 87 2HG PRO 87 -8.163 5.880 10.743 693 HG3 PRO 87 3HG PRO 87 -7.208 4.653 11.614 694 HD2 PRO 87 2HD PRO 87 -6.656 5.910 8.928 695 HD3 PRO 87 3HD PRO 87 -5.528 5.536 10.250 696 H ASP 88 H ASP 88 -7.572 4.034 7.082 697 HA ASP 88 HA ASP 88 -9.385 2.283 5.762 698 HB2 ASP 88 2HB ASP 88 -7.465 4.399 4.678 699 HB3 ASP 88 3HB ASP 88 -8.708 3.625 3.714 700 H ILE 89 H ILE 89 -5.883 2.795 5.466 701 HA ILE 89 HA ILE 89 -5.343 0.898 3.456 702 HB ILE 89 HB ILE 89 -3.496 2.133 5.549 703 HG12 ILE 89 2HG1 ILE 89 -3.930 2.861 2.608 704 HG13 ILE 89 3HG1 ILE 89 -4.593 3.744 3.977 705 HG21 ILE 89 1HG2 ILE 89 -1.576 1.476 4.121 706 HG22 ILE 89 2HG2 ILE 89 -2.667 0.598 3.047 707 HG23 ILE 89 3HG2 ILE 89 -2.448 0.060 4.712 708 HD11 ILE 89 3HD1 ILE 89 -2.311 4.319 4.693 709 HD12 ILE 89 1HD1 ILE 89 -2.683 4.890 3.067 710 HD13 ILE 89 2HD1 ILE 89 -1.669 3.466 3.285 711 H TYR 90 H TYR 90 -5.311 0.644 6.998 712 HA TYR 90 HA TYR 90 -4.243 -1.988 7.168 713 HB2 TYR 90 2HB TYR 90 -5.843 -0.349 9.171 714 HB3 TYR 90 3HB TYR 90 -5.174 -1.937 9.545 715 HD1 TYR 90 HD2 TYR 90 -2.651 -0.787 7.562 716 HD2 TYR 90 HD1 TYR 90 -4.455 0.202 11.317 717 HE1 TYR 90 HE2 TYR 90 -0.569 0.246 8.284 718 HE2 TYR 90 HE1 TYR 90 -2.350 1.248 12.039 719 HH TYR 90 HH TYR 90 0.061 1.104 11.506 720 H ALA 91 H ALA 91 -7.575 -0.713 7.221 721 HA ALA 91 HA ALA 91 -8.960 -3.127 7.607 722 HB1 ALA 91 3HB ALA 91 -9.892 -0.652 6.103 723 HB2 ALA 91 1HB ALA 91 -10.026 -0.914 7.846 724 HB3 ALA 91 2HB ALA 91 -10.933 -1.934 6.729 725 H THR 92 H THR 92 -7.904 -1.491 4.656 726 HA THR 92 HA THR 92 -8.987 -3.223 2.719 727 HB THR 92 HB THR 92 -6.532 -1.418 2.542 728 HG1 THR 92 HG1 THR 92 -8.810 -0.596 3.063 729 HG21 THR 92 3HG2 THR 92 -6.573 -3.017 0.658 730 HG22 THR 92 1HG2 THR 92 -6.946 -1.385 0.102 731 HG23 THR 92 2HG2 THR 92 -8.243 -2.566 0.304 732 H ILE 93 H ILE 93 -5.708 -3.165 4.185 733 HA ILE 93 HA ILE 93 -4.605 -5.312 2.686 734 HB ILE 93 HB ILE 93 -3.758 -4.141 5.374 735 HG12 ILE 93 2HG1 ILE 93 -2.496 -3.814 2.605 736 HG13 ILE 93 3HG1 ILE 93 -3.542 -2.627 3.377 737 HG21 ILE 93 1HG2 ILE 93 -1.580 -5.320 5.110 738 HG22 ILE 93 2HG2 ILE 93 -2.219 -6.165 3.697 739 HG23 ILE 93 3HG2 ILE 93 -2.925 -6.449 5.287 740 HD11 ILE 93 3HD1 ILE 93 -1.213 -1.990 3.572 741 HD12 ILE 93 1HD1 ILE 93 -0.826 -3.514 4.369 742 HD13 ILE 93 2HD1 ILE 93 -1.875 -2.337 5.169 743 H MET 94 H MET 94 -5.938 -5.246 6.024 744 HA MET 94 HA MET 94 -5.518 -7.980 6.593 745 HB2 MET 94 2HB MET 94 -7.480 -6.016 7.838 746 HB3 MET 94 3HB MET 94 -7.174 -7.625 8.477 747 HG2 MET 94 2HG MET 94 -4.796 -7.006 8.830 748 HG3 MET 94 3HG MET 94 -5.156 -5.372 8.265 749 HE1 MET 94 3HE MET 94 -7.618 -4.120 11.101 750 HE2 MET 94 1HE MET 94 -8.090 -4.901 9.591 751 HE3 MET 94 2HE MET 94 -6.807 -3.691 9.596 752 H ASP 95 H ASP 95 -8.379 -6.269 5.327 753 HA ASP 95 HA ASP 95 -10.157 -8.433 5.095 754 HB2 ASP 95 2HB ASP 95 -10.938 -6.144 4.826 755 HB3 ASP 95 3HB ASP 95 -9.895 -5.896 3.429 756 H PHE 96 H PHE 96 -7.752 -7.188 2.796 757 HA PHE 96 HA PHE 96 -8.330 -8.796 0.567 758 HB2 PHE 96 2HB PHE 96 -6.949 -6.782 0.403 759 HB3 PHE 96 3HB PHE 96 -5.728 -7.482 1.456 760 HD1 PHE 96 HD2 PHE 96 -7.302 -7.768 -1.907 761 HD2 PHE 96 HD1 PHE 96 -3.971 -8.862 0.550 762 HE1 PHE 96 HE2 PHE 96 -6.123 -8.645 -3.860 763 HE2 PHE 96 HE1 PHE 96 -2.811 -9.728 -1.425 764 HZ PHE 96 HZ PHE 96 -3.888 -9.619 -3.632 765 H PHE 97 H PHE 97 -6.089 -9.310 3.267 766 HA PHE 97 HA PHE 97 -5.121 -11.865 2.328 767 HB2 PHE 97 2HB PHE 97 -4.669 -10.257 4.856 768 HB3 PHE 97 3HB PHE 97 -4.110 -11.924 4.755 769 HD1 PHE 97 HD1 PHE 97 -3.773 -8.566 3.121 770 HD2 PHE 97 HD2 PHE 97 -2.083 -12.459 3.621 771 HE1 PHE 97 HE1 PHE 97 -1.723 -7.816 2.008 772 HE2 PHE 97 HE2 PHE 97 -0.034 -11.703 2.503 773 HZ PHE 97 HZ PHE 97 0.152 -9.378 1.708 774 H ALA 98 H ALA 98 -7.646 -10.805 4.566 775 HA ALA 98 HA ALA 98 -8.302 -13.385 5.629 776 HB1 ALA 98 3HB ALA 98 -10.402 -12.328 6.389 777 HB2 ALA 98 1HB ALA 98 -10.047 -10.909 5.400 778 HB3 ALA 98 2HB ALA 98 -9.007 -11.313 6.767 779 H SER 99 H SER 99 -9.082 -11.671 2.696 780 HA SER 99 HA SER 99 -11.101 -13.499 1.730 781 HB2 SER 99 2HB SER 99 -11.133 -11.166 0.963 782 HB3 SER 99 3HB SER 99 -9.486 -11.310 0.350 783 HG SER 99 HG SER 99 -10.919 -11.554 -1.342 784 H GLY 100 H GLY 100 -7.618 -12.996 1.374 785 HA2 GLY 100 2HA GLY 100 -5.940 -14.476 0.856 786 HA3 GLY 100 3HA GLY 100 -7.143 -15.737 0.624 787 H LEU 101 H LEU 101 -7.226 -12.654 -1.075 788 HA LEU 101 HA LEU 101 -7.065 -13.850 -3.689 789 HB2 LEU 101 2HB LEU 101 -6.864 -10.928 -2.853 790 HB3 LEU 101 3HB LEU 101 -7.064 -11.483 -4.506 791 HG LEU 101 HG LEU 101 -9.110 -11.806 -2.269 792 HD11 LEU 101 1HD1 LEU 101 -9.159 -9.940 -4.660 793 HD12 LEU 101 2HD1 LEU 101 -8.919 -9.474 -2.975 794 HD13 LEU 101 3HD1 LEU 101 -10.460 -10.159 -3.484 795 HD21 LEU 101 3HD2 LEU 101 -10.649 -12.602 -4.017 796 HD22 LEU 101 1HD2 LEU 101 -9.254 -13.667 -3.852 797 HD23 LEU 101 2HD2 LEU 101 -9.345 -12.540 -5.208 798 HA PRO 102 HA PRO 102 -2.537 -13.754 -4.316 799 HB2 PRO 102 2HB PRO 102 -3.140 -12.919 -7.150 800 HB3 PRO 102 3HB PRO 102 -2.205 -14.310 -6.559 801 HG2 PRO 102 2HG PRO 102 -4.614 -14.676 -7.598 802 HG3 PRO 102 3HG PRO 102 -4.097 -15.600 -6.169 803 HD2 PRO 102 2HD PRO 102 -5.911 -13.180 -6.281 804 HD3 PRO 102 3HD PRO 102 -6.103 -14.682 -5.347 805 H LEU 103 H LEU 103 -1.112 -12.148 -3.891 806 HA LEU 103 HA LEU 103 -1.817 -9.481 -3.509 807 HB2 LEU 103 2HB LEU 103 0.140 -10.887 -2.521 808 HB3 LEU 103 3HB LEU 103 1.044 -10.433 -3.947 809 HG LEU 103 HG LEU 103 1.588 -9.094 -1.907 810 HD11 LEU 103 1HD1 LEU 103 1.659 -6.897 -2.903 811 HD12 LEU 103 2HD1 LEU 103 0.480 -7.380 -4.126 812 HD13 LEU 103 3HD1 LEU 103 2.075 -8.135 -4.088 813 HD21 LEU 103 3HD2 LEU 103 -1.201 -7.954 -2.158 814 HD22 LEU 103 1HD2 LEU 103 0.059 -7.417 -1.043 815 HD23 LEU 103 2HD2 LEU 103 -0.625 -9.033 -0.883 816 H VAL 104 H VAL 104 0.029 -10.969 -6.133 817 HA VAL 104 HA VAL 104 -0.551 -8.704 -7.946 818 HB VAL 104 HB VAL 104 2.101 -10.238 -7.751 819 HG11 VAL 104 1HG1 VAL 104 1.283 -8.087 -9.745 820 HG12 VAL 104 2HG1 VAL 104 1.535 -9.795 -10.110 821 HG13 VAL 104 3HG1 VAL 104 2.897 -8.791 -9.608 822 HG21 VAL 104 3HG2 VAL 104 1.908 -8.477 -6.025 823 HG22 VAL 104 1HG2 VAL 104 1.535 -7.282 -7.269 824 HG23 VAL 104 2HG2 VAL 104 3.126 -8.045 -7.224 825 H THR 105 H THR 105 -1.822 -9.515 -9.506 826 HA THR 105 HA THR 105 -2.057 -12.384 -9.965 827 HB THR 105 HB THR 105 -3.969 -11.655 -11.500 828 HG1 THR 105 HG1 THR 105 -4.006 -9.604 -12.006 829 HG21 THR 105 3HG2 THR 105 -4.091 -10.665 -8.627 830 HG22 THR 105 1HG2 THR 105 -4.411 -12.316 -9.167 831 HG23 THR 105 2HG2 THR 105 -5.479 -11.001 -9.662 832 H GLU 106 H GLU 106 -0.979 -9.492 -11.713 833 HA GLU 106 HA GLU 106 -0.209 -11.148 -14.061 834 HB2 GLU 106 2HB GLU 106 -1.256 -8.291 -14.155 835 HB3 GLU 106 3HB GLU 106 -0.802 -9.287 -15.535 836 HG2 GLU 106 2HG GLU 106 -2.690 -10.839 -14.925 837 HG3 GLU 106 3HG GLU 106 -3.189 -9.664 -13.702 838 H GLU 107 H GLU 107 1.487 -10.261 -15.360 839 HA GLU 107 HA GLU 107 3.031 -7.990 -14.452 840 HB2 GLU 107 2HB GLU 107 5.199 -9.306 -14.452 841 HB3 GLU 107 3HB GLU 107 4.129 -9.617 -13.095 842 HG2 GLU 107 2HG GLU 107 3.375 -11.718 -14.206 843 HG3 GLU 107 3HG GLU 107 4.527 -11.416 -15.507 Start of MODEL 18 1 H1 MET 1 1H MET 1 -2.640 -19.623 8.480 2 H2 MET 1 2H MET 1 -1.767 -18.248 8.018 3 H3 MET 1 3H MET 1 -2.705 -18.219 9.419 4 HA MET 1 HA MET 1 -1.301 -19.870 10.448 5 HB2 MET 1 2HB MET 1 0.529 -19.489 8.030 6 HB3 MET 1 3HB MET 1 0.778 -20.584 9.385 7 HG2 MET 1 2HG MET 1 -1.291 -20.825 7.195 8 HG3 MET 1 3HG MET 1 0.098 -21.873 7.483 9 HE1 MET 1 3HE MET 1 -2.961 -22.871 7.052 10 HE2 MET 1 1HE MET 1 -3.070 -24.130 8.281 11 HE3 MET 1 2HE MET 1 -1.621 -23.997 7.288 12 H GLY 2 H GLY 2 1.105 -19.237 11.193 13 HA2 GLY 2 2HA GLY 2 2.808 -17.695 11.517 14 HA3 GLY 2 3HA GLY 2 1.918 -16.511 10.579 15 H HIS 3 H HIS 3 -0.332 -17.509 12.739 16 HA HIS 3 HA HIS 3 0.058 -15.292 14.516 17 HB2 HIS 3 2HB HIS 3 -2.003 -16.083 15.672 18 HB3 HIS 3 3HB HIS 3 -2.239 -15.928 13.940 19 HD1 HIS 3 HD1 HIS 3 -2.576 -18.304 16.709 20 HD2 HIS 3 HD2 HIS 3 -2.402 -18.502 12.566 21 HE1 HIS 3 HE1 HIS 3 -3.414 -20.590 16.107 22 HE2 HIS 3 HE2 HIS 3 -3.078 -20.757 13.627 23 H HIS 4 H HIS 4 1.993 -15.594 15.427 24 HA HIS 4 HA HIS 4 3.176 -17.934 16.350 25 HB2 HIS 4 2HB HIS 4 4.831 -16.358 17.488 26 HB3 HIS 4 3HB HIS 4 4.566 -16.081 15.771 27 HD1 HIS 4 HD1 HIS 4 3.363 -13.890 15.074 28 HD2 HIS 4 HD2 HIS 4 3.938 -14.237 19.184 29 HE1 HIS 4 HE1 HIS 4 2.843 -11.625 16.028 30 HE2 HIS 4 HE2 HIS 4 3.388 -11.814 18.467 31 H HIS 5 H HIS 5 0.899 -15.931 18.029 32 HA HIS 5 HA HIS 5 1.026 -17.615 20.414 33 HB2 HIS 5 2HB HIS 5 2.641 -15.895 20.984 34 HB3 HIS 5 3HB HIS 5 1.576 -14.615 20.432 35 HD1 HIS 5 HD1 HIS 5 1.102 -13.304 22.490 36 HD2 HIS 5 HD2 HIS 5 0.771 -17.392 23.188 37 HE1 HIS 5 HE1 HIS 5 0.263 -13.526 24.845 38 HE2 HIS 5 HE2 HIS 5 0.251 -15.992 25.294 39 H HIS 6 H HIS 6 -0.972 -17.977 21.147 40 HA HIS 6 HA HIS 6 -3.324 -16.797 20.153 41 HB2 HIS 6 2HB HIS 6 -4.468 -17.956 22.085 42 HB3 HIS 6 3HB HIS 6 -3.447 -19.009 21.121 43 HD1 HIS 6 HD1 HIS 6 -1.238 -19.867 22.248 44 HD2 HIS 6 HD2 HIS 6 -3.767 -17.763 24.785 45 HE1 HIS 6 HE1 HIS 6 -0.421 -20.350 24.567 46 HE2 HIS 6 HE2 HIS 6 -2.097 -19.247 26.072 47 H HIS 7 H HIS 7 -3.978 -14.813 20.437 48 HA HIS 7 HA HIS 7 -4.061 -13.308 22.868 49 HB2 HIS 7 2HB HIS 7 -1.617 -13.142 22.489 50 HB3 HIS 7 3HB HIS 7 -1.878 -12.609 20.834 51 HD1 HIS 7 HD1 HIS 7 -1.489 -10.189 20.602 52 HD2 HIS 7 HD2 HIS 7 -2.993 -11.118 24.360 53 HE1 HIS 7 HE1 HIS 7 -1.559 -8.019 21.847 54 HE2 HIS 7 HE2 HIS 7 -2.249 -8.650 24.180 55 H HIS 8 H HIS 8 -3.651 -13.075 19.357 56 HA HIS 8 HA HIS 8 -6.334 -12.049 18.942 57 HB2 HIS 8 2HB HIS 8 -5.019 -9.963 19.341 58 HB3 HIS 8 3HB HIS 8 -3.878 -10.441 18.093 59 HD1 HIS 8 HD1 HIS 8 -4.230 -8.715 16.318 60 HD2 HIS 8 HD2 HIS 8 -7.842 -10.236 17.712 61 HE1 HIS 8 HE1 HIS 8 -6.010 -7.612 14.931 62 HE2 HIS 8 HE2 HIS 8 -8.169 -8.418 15.912 63 H SER 9 H SER 9 -6.817 -13.806 17.680 64 HA SER 9 HA SER 9 -4.957 -14.910 15.736 65 HB2 SER 9 2HB SER 9 -7.865 -15.655 16.301 66 HB3 SER 9 3HB SER 9 -6.709 -16.600 15.344 67 HG SER 9 HG SER 9 -6.850 -16.191 18.118 68 H HIS 10 H HIS 10 -4.910 -12.717 14.737 69 HA HIS 10 HA HIS 10 -6.390 -12.570 12.300 70 HB2 HIS 10 2HB HIS 10 -7.172 -10.802 14.586 71 HB3 HIS 10 3HB HIS 10 -6.860 -9.938 13.091 72 HD1 HIS 10 HD1 HIS 10 -9.096 -12.687 14.439 73 HD2 HIS 10 HD2 HIS 10 -8.938 -9.950 11.318 74 HE1 HIS 10 HE1 HIS 10 -11.326 -12.828 13.304 75 HE2 HIS 10 HE2 HIS 10 -11.136 -11.296 11.322 76 H MET 11 H MET 11 -5.599 -10.770 10.993 77 HA MET 11 HA MET 11 -2.732 -10.465 11.187 78 HB2 MET 11 2HB MET 11 -3.825 -10.906 9.019 79 HB3 MET 11 3HB MET 11 -4.793 -9.445 9.170 80 HG2 MET 11 2HG MET 11 -2.715 -8.096 9.070 81 HG3 MET 11 3HG MET 11 -1.794 -9.588 8.830 82 HE1 MET 11 3HE MET 11 -1.958 -6.936 6.913 83 HE2 MET 11 1HE MET 11 -1.879 -7.723 5.339 84 HE3 MET 11 2HE MET 11 -0.839 -8.276 6.649 85 H PHE 12 H PHE 12 -1.613 -8.589 11.594 86 HA PHE 12 HA PHE 12 -3.025 -6.031 11.942 87 HB2 PHE 12 2HB PHE 12 -1.796 -5.492 13.984 88 HB3 PHE 12 3HB PHE 12 -2.677 -6.990 14.229 89 HD1 PHE 12 HD2 PHE 12 -1.443 -9.167 14.373 90 HD2 PHE 12 HD1 PHE 12 0.649 -5.443 14.060 91 HE1 PHE 12 HE2 PHE 12 0.638 -10.262 15.099 92 HE2 PHE 12 HE1 PHE 12 2.725 -6.554 14.787 93 HZ PHE 12 HZ PHE 12 2.719 -8.962 15.301 94 H ILE 13 H ILE 13 -1.587 -4.190 11.692 95 HA ILE 13 HA ILE 13 0.792 -4.749 9.981 96 HB ILE 13 HB ILE 13 -1.145 -2.394 9.755 97 HG12 ILE 13 2HG1 ILE 13 -0.793 -4.771 7.867 98 HG13 ILE 13 3HG1 ILE 13 -2.144 -4.541 8.973 99 HG21 ILE 13 1HG2 ILE 13 0.079 -1.776 7.685 100 HG22 ILE 13 2HG2 ILE 13 1.230 -3.082 7.967 101 HG23 ILE 13 3HG2 ILE 13 1.141 -1.730 9.095 102 HD11 ILE 13 3HD1 ILE 13 -1.452 -2.837 6.591 103 HD12 ILE 13 1HD1 ILE 13 -2.734 -2.478 7.750 104 HD13 ILE 13 2HD1 ILE 13 -2.815 -3.939 6.772 105 H GLN 14 H GLN 14 2.640 -3.707 10.459 106 HA GLN 14 HA GLN 14 2.681 -1.537 12.484 107 HB2 GLN 14 2HB GLN 14 5.065 -2.205 12.891 108 HB3 GLN 14 3HB GLN 14 3.920 -3.480 13.289 109 HG2 GLN 14 2HG GLN 14 4.433 -4.608 11.149 110 HG3 GLN 14 3HG GLN 14 5.588 -3.337 10.759 111 HE21 GLN 14 1HE2 GLN 14 6.032 -6.224 11.061 112 HE22 GLN 14 2HE2 GLN 14 7.236 -6.388 12.288 113 H THR 15 H THR 15 4.141 0.254 12.015 114 HA THR 15 HA THR 15 4.596 0.653 9.094 115 HB THR 15 HB THR 15 4.256 3.106 9.522 116 HG1 THR 15 HG1 THR 15 3.202 2.325 12.053 117 HG21 THR 15 3HG2 THR 15 1.794 3.055 9.712 118 HG22 THR 15 1HG2 THR 15 1.859 1.387 10.289 119 HG23 THR 15 2HG2 THR 15 2.368 1.775 8.645 120 H GLN 16 H GLN 16 6.522 1.492 8.431 121 HA GLN 16 HA GLN 16 8.577 2.144 10.456 122 HB2 GLN 16 2HB GLN 16 9.050 0.026 9.174 123 HB3 GLN 16 3HB GLN 16 8.999 0.943 7.673 124 HG2 GLN 16 2HG GLN 16 11.307 0.492 8.403 125 HG3 GLN 16 3HG GLN 16 10.965 2.219 8.339 126 HE21 GLN 16 1HE2 GLN 16 11.464 -0.514 10.475 127 HE22 GLN 16 2HE2 GLN 16 11.850 0.408 11.881 128 H ASP 17 H ASP 17 9.421 4.146 10.290 129 HA ASP 17 HA ASP 17 8.201 6.107 8.638 130 HB2 ASP 17 2HB ASP 17 10.691 6.256 10.396 131 HB3 ASP 17 3HB ASP 17 9.918 7.654 9.650 132 H THR 18 H THR 18 9.218 7.458 7.088 133 HA THR 18 HA THR 18 11.435 6.264 5.535 134 HB THR 18 HB THR 18 10.108 7.061 3.476 135 HG1 THR 18 HG1 THR 18 8.567 8.383 4.332 136 HG21 THR 18 3HG2 THR 18 10.167 4.658 4.019 137 HG22 THR 18 1HG2 THR 18 8.577 5.111 3.405 138 HG23 THR 18 2HG2 THR 18 8.816 4.862 5.136 139 HA PRO 19 HA PRO 19 13.122 10.420 5.692 140 HB2 PRO 19 2HB PRO 19 14.472 10.633 3.293 141 HB3 PRO 19 3HB PRO 19 15.035 9.632 4.646 142 HG2 PRO 19 2HG PRO 19 13.507 8.778 2.204 143 HG3 PRO 19 3HG PRO 19 14.929 8.020 2.963 144 HD2 PRO 19 2HD PRO 19 12.445 7.064 3.398 145 HD3 PRO 19 3HD PRO 19 13.675 7.058 4.681 146 H ASN 20 H ASN 20 11.040 9.555 3.037 147 HA ASN 20 HA ASN 20 10.439 12.339 2.306 148 HB2 ASN 20 2HB ASN 20 9.388 9.709 1.148 149 HB3 ASN 20 3HB ASN 20 9.034 11.321 0.524 150 HD21 ASN 20 1HD2 ASN 20 10.394 9.006 -0.740 151 HD22 ASN 20 2HD2 ASN 20 11.926 9.606 -1.263 152 HA PRO 21 HA PRO 21 6.966 12.164 5.377 153 HB2 PRO 21 2HB PRO 21 6.366 14.802 4.035 154 HB3 PRO 21 3HB PRO 21 6.473 14.410 5.769 155 HG2 PRO 21 2HG PRO 21 8.444 15.741 4.611 156 HG3 PRO 21 3HG PRO 21 8.810 14.448 5.780 157 HD2 PRO 21 2HD PRO 21 8.938 14.359 2.762 158 HD3 PRO 21 3HD PRO 21 10.085 13.713 3.961 159 H ASN 22 H ASN 22 6.681 12.785 1.882 160 HA ASN 22 HA ASN 22 3.880 12.343 1.622 161 HB2 ASN 22 2HB ASN 22 6.182 12.399 -0.316 162 HB3 ASN 22 3HB ASN 22 4.748 11.538 -0.853 163 HD21 ASN 22 1HD2 ASN 22 5.890 13.973 -1.932 164 HD22 ASN 22 2HD2 ASN 22 4.653 15.168 -1.848 165 H SER 23 H SER 23 6.562 10.144 1.994 166 HA SER 23 HA SER 23 4.871 7.817 1.298 167 HB2 SER 23 2HB SER 23 7.905 8.005 1.657 168 HB3 SER 23 3HB SER 23 7.009 6.569 1.160 169 HG SER 23 HG SER 23 6.197 8.038 -0.605 170 H LEU 24 H LEU 24 4.565 6.146 2.738 171 HA LEU 24 HA LEU 24 6.194 5.946 5.181 172 HB2 LEU 24 2HB LEU 24 4.106 7.096 5.887 173 HB3 LEU 24 3HB LEU 24 3.149 5.810 5.177 174 HG LEU 24 HG LEU 24 4.131 4.209 6.862 175 HD11 LEU 24 1HD1 LEU 24 6.216 5.358 7.385 176 HD12 LEU 24 2HD1 LEU 24 5.272 5.099 8.850 177 HD13 LEU 24 3HD1 LEU 24 5.326 6.700 8.109 178 HD21 LEU 24 3HD2 LEU 24 2.661 6.604 8.001 179 HD22 LEU 24 1HD2 LEU 24 2.777 5.010 8.753 180 HD23 LEU 24 2HD2 LEU 24 1.933 5.198 7.219 181 H LYS 25 H LYS 25 6.782 3.832 5.578 182 HA LYS 25 HA LYS 25 5.828 1.783 3.729 183 HB2 LYS 25 2HB LYS 25 8.272 1.967 4.181 184 HB3 LYS 25 3HB LYS 25 7.988 1.599 5.880 185 HG2 LYS 25 2HG LYS 25 7.200 -0.640 5.318 186 HG3 LYS 25 3HG LYS 25 7.310 -0.296 3.595 187 HD2 LYS 25 2HD LYS 25 9.742 -0.227 5.419 188 HD3 LYS 25 3HD LYS 25 9.192 -1.711 4.648 189 HE2 LYS 25 2HE LYS 25 10.969 -0.795 3.307 190 HE3 LYS 25 3HE LYS 25 9.465 -0.577 2.414 191 HZ1 LYS 25 3HZ LYS 25 9.435 1.738 3.081 192 HZ2 LYS 25 1HZ LYS 25 10.907 1.378 2.331 193 HZ3 LYS 25 2HZ LYS 25 10.832 1.531 4.013 194 H PHE 26 H PHE 26 4.384 0.316 4.237 195 HA PHE 26 HA PHE 26 3.466 -0.144 7.013 196 HB2 PHE 26 2HB PHE 26 2.016 -0.540 4.331 197 HB3 PHE 26 3HB PHE 26 1.354 -0.984 5.900 198 HD1 PHE 26 HD2 PHE 26 2.421 1.948 3.821 199 HD2 PHE 26 HD1 PHE 26 0.207 0.649 7.251 200 HE1 PHE 26 HE2 PHE 26 1.433 4.191 4.043 201 HE2 PHE 26 HE1 PHE 26 -0.774 2.901 7.460 202 HZ PHE 26 HZ PHE 26 -0.156 4.673 5.862 203 H ILE 27 H ILE 27 4.669 -1.910 7.691 204 HA ILE 27 HA ILE 27 5.189 -4.174 5.935 205 HB ILE 27 HB ILE 27 5.750 -3.879 8.932 206 HG12 ILE 27 2HG1 ILE 27 8.223 -3.871 8.131 207 HG13 ILE 27 3HG1 ILE 27 7.596 -3.548 6.521 208 HG21 ILE 27 1HG2 ILE 27 6.622 -6.113 7.053 209 HG22 ILE 27 2HG2 ILE 27 5.432 -6.248 8.347 210 HG23 ILE 27 3HG2 ILE 27 7.123 -5.936 8.737 211 HD11 ILE 27 3HD1 ILE 27 6.627 -1.451 7.316 212 HD12 ILE 27 1HD1 ILE 27 8.361 -1.523 7.636 213 HD13 ILE 27 2HD1 ILE 27 7.212 -1.793 8.945 214 HA PRO 28 HA PRO 28 0.965 -5.498 7.021 215 HB2 PRO 28 2HB PRO 28 1.495 -7.795 5.178 216 HB3 PRO 28 3HB PRO 28 0.294 -6.490 5.045 217 HG2 PRO 28 2HG PRO 28 2.398 -6.590 3.401 218 HG3 PRO 28 3HG PRO 28 1.772 -5.032 3.989 219 HD2 PRO 28 2HD PRO 28 4.140 -6.614 5.009 220 HD3 PRO 28 3HD PRO 28 4.026 -4.879 4.621 221 H GLY 29 H GLY 29 3.883 -7.181 7.612 222 HA2 GLY 29 2HA GLY 29 4.466 -8.850 9.083 223 HA3 GLY 29 3HA GLY 29 2.790 -8.948 9.607 224 H LYS 30 H LYS 30 3.226 -9.125 6.236 225 HA LYS 30 HA LYS 30 3.228 -12.054 6.087 226 HB2 LYS 30 2HB LYS 30 0.939 -10.247 5.168 227 HB3 LYS 30 3HB LYS 30 1.173 -11.859 4.502 228 HG2 LYS 30 2HG LYS 30 0.950 -12.810 6.800 229 HG3 LYS 30 3HG LYS 30 0.615 -11.189 7.410 230 HD2 LYS 30 2HD LYS 30 -1.443 -11.054 6.161 231 HD3 LYS 30 3HD LYS 30 -1.073 -12.533 5.266 232 HE2 LYS 30 2HE LYS 30 -1.621 -12.355 8.248 233 HE3 LYS 30 3HE LYS 30 -2.748 -12.938 7.022 234 HZ1 LYS 30 3HZ LYS 30 -1.128 -14.703 6.490 235 HZ2 LYS 30 1HZ LYS 30 -1.683 -14.793 8.089 236 HZ3 LYS 30 2HZ LYS 30 -0.150 -14.168 7.760 237 HA PRO 31 HA PRO 31 5.663 -11.298 2.391 238 HB2 PRO 31 2HB PRO 31 4.972 -13.511 0.851 239 HB3 PRO 31 3HB PRO 31 6.089 -13.579 2.227 240 HG2 PRO 31 2HG PRO 31 3.171 -14.263 2.145 241 HG3 PRO 31 3HG PRO 31 4.514 -15.146 2.913 242 HD2 PRO 31 2HD PRO 31 2.891 -13.589 4.386 243 HD3 PRO 31 3HD PRO 31 4.632 -13.675 4.728 244 H VAL 32 H VAL 32 5.394 -10.016 0.623 245 HA VAL 32 HA VAL 32 2.795 -10.026 -0.790 246 HB VAL 32 HB VAL 32 2.721 -7.666 -1.070 247 HG11 VAL 32 1HG1 VAL 32 1.873 -8.421 1.087 248 HG12 VAL 32 2HG1 VAL 32 2.523 -6.788 1.210 249 HG13 VAL 32 3HG1 VAL 32 3.451 -8.156 1.831 250 HG21 VAL 32 3HG2 VAL 32 4.390 -6.039 -0.300 251 HG22 VAL 32 1HG2 VAL 32 5.102 -7.164 -1.457 252 HG23 VAL 32 2HG2 VAL 32 5.431 -7.345 0.263 253 H LEU 33 H LEU 33 6.321 -9.526 -1.028 254 HA LEU 33 HA LEU 33 6.367 -10.280 -3.797 255 HB2 LEU 33 2HB LEU 33 6.369 -7.377 -3.102 256 HB3 LEU 33 3HB LEU 33 7.647 -7.847 -4.197 257 HG LEU 33 HG LEU 33 4.653 -7.910 -4.664 258 HD11 LEU 33 1HD1 LEU 33 5.832 -5.841 -5.219 259 HD12 LEU 33 2HD1 LEU 33 5.228 -6.625 -6.670 260 HD13 LEU 33 3HD1 LEU 33 6.945 -6.722 -6.270 261 HD21 LEU 33 3HD2 LEU 33 6.737 -9.451 -6.251 262 HD22 LEU 33 1HD2 LEU 33 5.110 -9.085 -6.841 263 HD23 LEU 33 2HD2 LEU 33 5.317 -10.092 -5.413 264 H GLU 34 H GLU 34 7.655 -11.666 -2.076 265 HA GLU 34 HA GLU 34 10.365 -11.005 -1.595 266 HB2 GLU 34 2HB GLU 34 9.235 -12.939 -0.526 267 HB3 GLU 34 3HB GLU 34 9.110 -13.747 -2.086 268 HG2 GLU 34 2HG GLU 34 11.613 -13.812 -2.212 269 HG3 GLU 34 3HG GLU 34 11.684 -13.100 -0.603 270 H THR 35 H THR 35 8.685 -12.271 -4.414 271 HA THR 35 HA THR 35 10.895 -13.320 -5.835 272 HB THR 35 HB THR 35 8.256 -12.409 -7.061 273 HG1 THR 35 HG1 THR 35 8.795 -14.945 -5.865 274 HG21 THR 35 3HG2 THR 35 8.624 -14.293 -8.618 275 HG22 THR 35 1HG2 THR 35 10.151 -14.672 -7.817 276 HG23 THR 35 2HG2 THR 35 9.966 -13.151 -8.694 277 H ARG 36 H ARG 36 9.196 -10.175 -6.043 278 HA ARG 36 HA ARG 36 11.393 -8.978 -7.557 279 HB2 ARG 36 2HB ARG 36 9.924 -8.213 -9.388 280 HB3 ARG 36 3HB ARG 36 9.968 -9.968 -9.324 281 HG2 ARG 36 2HG ARG 36 7.759 -9.978 -8.195 282 HG3 ARG 36 3HG ARG 36 7.719 -8.216 -8.273 283 HD2 ARG 36 2HD ARG 36 7.794 -10.081 -10.673 284 HD3 ARG 36 3HD ARG 36 6.358 -9.265 -10.050 285 HE ARG 36 HE ARG 36 7.998 -7.186 -10.519 286 HH11 ARG 36 1HH1 ARG 36 7.148 -9.918 -12.608 287 HH12 ARG 36 2HH1 ARG 36 7.331 -8.993 -14.064 288 HH21 ARG 36 1HH2 ARG 36 8.187 -5.992 -12.448 289 HH22 ARG 36 2HH2 ARG 36 7.921 -6.774 -13.975 290 H THR 37 H THR 37 10.887 -6.595 -7.963 291 HA THR 37 HA THR 37 9.088 -5.427 -5.895 292 HB THR 37 HB THR 37 10.452 -3.306 -6.213 293 HG1 THR 37 HG1 THR 37 12.425 -4.938 -7.425 294 HG21 THR 37 3HG2 THR 37 12.421 -4.045 -4.918 295 HG22 THR 37 1HG2 THR 37 12.037 -5.728 -5.284 296 HG23 THR 37 2HG2 THR 37 10.939 -4.765 -4.291 297 H MET 38 H MET 38 7.712 -3.697 -6.557 298 HA MET 38 HA MET 38 7.442 -3.013 -9.363 299 HB2 MET 38 2HB MET 38 5.161 -4.414 -7.864 300 HB3 MET 38 3HB MET 38 4.935 -3.507 -9.351 301 HG2 MET 38 2HG MET 38 6.563 -5.132 -10.443 302 HG3 MET 38 3HG MET 38 6.440 -6.100 -8.977 303 HE1 MET 38 3HE MET 38 2.576 -7.073 -9.084 304 HE2 MET 38 1HE MET 38 3.282 -5.697 -8.237 305 HE3 MET 38 2HE MET 38 4.077 -7.272 -8.180 306 H ASP 39 H ASP 39 6.560 -1.042 -9.595 307 HA ASP 39 HA ASP 39 5.364 0.324 -7.248 308 HB2 ASP 39 2HB ASP 39 6.431 2.415 -7.766 309 HB3 ASP 39 3HB ASP 39 7.706 1.208 -7.700 310 H PHE 40 H PHE 40 3.692 1.656 -7.724 311 HA PHE 40 HA PHE 40 2.481 1.448 -10.409 312 HB2 PHE 40 2HB PHE 40 0.942 1.523 -7.769 313 HB3 PHE 40 3HB PHE 40 0.312 1.153 -9.375 314 HD1 PHE 40 HD2 PHE 40 1.223 -0.990 -10.538 315 HD2 PHE 40 HD1 PHE 40 1.658 -0.257 -6.348 316 HE1 PHE 40 HE2 PHE 40 1.654 -3.379 -10.158 317 HE2 PHE 40 HE1 PHE 40 2.101 -2.649 -5.993 318 HZ PHE 40 HZ PHE 40 2.101 -4.214 -7.888 319 HA PRO 41 HA PRO 41 3.222 5.913 -9.477 320 HB2 PRO 41 2HB PRO 41 3.323 6.691 -12.141 321 HB3 PRO 41 3HB PRO 41 4.714 6.054 -11.248 322 HG2 PRO 41 2HG PRO 41 2.908 4.638 -13.166 323 HG3 PRO 41 3HG PRO 41 4.674 4.524 -12.987 324 HD2 PRO 41 2HD PRO 41 2.980 2.645 -11.993 325 HD3 PRO 41 3HD PRO 41 4.536 3.034 -11.224 326 H THR 42 H THR 42 0.834 4.305 -11.453 327 HA THR 42 HA THR 42 -1.129 6.490 -11.099 328 HB THR 42 HB THR 42 -1.994 5.906 -13.418 329 HG1 THR 42 HG1 THR 42 0.511 4.673 -13.917 330 HG21 THR 42 3HG2 THR 42 -0.585 7.903 -13.154 331 HG22 THR 42 1HG2 THR 42 -0.237 7.111 -14.691 332 HG23 THR 42 2HG2 THR 42 0.876 6.928 -13.331 333 HA PRO 43 HA PRO 43 -4.040 3.295 -9.667 334 HB2 PRO 43 2HB PRO 43 -6.051 4.674 -11.450 335 HB3 PRO 43 3HB PRO 43 -6.162 4.259 -9.725 336 HG2 PRO 43 2HG PRO 43 -5.732 6.772 -10.449 337 HG3 PRO 43 3HG PRO 43 -4.868 6.085 -9.052 338 HD2 PRO 43 2HD PRO 43 -3.850 6.578 -11.846 339 HD3 PRO 43 3HD PRO 43 -3.033 6.823 -10.284 340 H ALA 44 H ALA 44 -3.819 3.997 -13.136 341 HA ALA 44 HA ALA 44 -5.100 1.652 -14.128 342 HB1 ALA 44 3HB ALA 44 -4.775 3.662 -15.510 343 HB2 ALA 44 1HB ALA 44 -4.087 2.233 -16.285 344 HB3 ALA 44 2HB ALA 44 -3.030 3.405 -15.490 345 H ALA 45 H ALA 45 -1.688 2.481 -13.555 346 HA ALA 45 HA ALA 45 -0.449 0.112 -14.389 347 HB1 ALA 45 3HB ALA 45 1.476 0.884 -13.090 348 HB2 ALA 45 1HB ALA 45 0.451 2.027 -12.216 349 HB3 ALA 45 2HB ALA 45 0.730 2.230 -13.945 350 H ALA 46 H ALA 46 -2.243 0.756 -11.479 351 HA ALA 46 HA ALA 46 -1.173 -1.211 -9.742 352 HB1 ALA 46 3HB ALA 46 -3.895 0.105 -9.710 353 HB2 ALA 46 1HB ALA 46 -2.422 0.751 -8.987 354 HB3 ALA 46 2HB ALA 46 -3.131 -0.735 -8.352 355 H PHE 47 H PHE 47 -2.907 -1.798 -12.552 356 HA PHE 47 HA PHE 47 -4.808 -3.747 -11.966 357 HB2 PHE 47 2HB PHE 47 -4.664 -4.448 -14.286 358 HB3 PHE 47 3HB PHE 47 -4.417 -2.711 -14.233 359 HD1 PHE 47 HD1 PHE 47 -2.001 -1.815 -14.439 360 HD2 PHE 47 HD2 PHE 47 -3.018 -5.869 -15.325 361 HE1 PHE 47 HE1 PHE 47 0.087 -2.059 -15.719 362 HE2 PHE 47 HE2 PHE 47 -0.923 -6.100 -16.600 363 HZ PHE 47 HZ PHE 47 0.626 -4.201 -16.798 364 H ARG 48 H ARG 48 -1.374 -4.039 -11.753 365 HA ARG 48 HA ARG 48 -1.032 -6.808 -12.252 366 HB2 ARG 48 2HB ARG 48 0.726 -5.031 -10.510 367 HB3 ARG 48 3HB ARG 48 1.204 -6.517 -11.328 368 HG2 ARG 48 2HG ARG 48 0.870 -5.406 -13.525 369 HG3 ARG 48 3HG ARG 48 0.401 -3.927 -12.687 370 HD2 ARG 48 2HD ARG 48 2.750 -4.105 -11.547 371 HD3 ARG 48 3HD ARG 48 3.133 -5.208 -12.874 372 HE ARG 48 HE ARG 48 2.301 -2.378 -13.181 373 HH11 ARG 48 1HH1 ARG 48 4.098 -5.127 -14.438 374 HH12 ARG 48 2HH1 ARG 48 4.782 -4.215 -15.744 375 HH21 ARG 48 1HH2 ARG 48 3.232 -1.196 -14.861 376 HH22 ARG 48 2HH2 ARG 48 4.294 -1.991 -15.984 377 H SER 49 H SER 49 -1.382 -4.967 -9.228 378 HA SER 49 HA SER 49 -1.830 -7.481 -7.718 379 HB2 SER 49 2HB SER 49 -0.693 -4.834 -6.707 380 HB3 SER 49 3HB SER 49 -0.926 -6.297 -5.751 381 HG SER 49 HG SER 49 0.505 -7.289 -7.427 382 HA PRO 50 HA PRO 50 -6.081 -5.769 -7.429 383 HB2 PRO 50 2HB PRO 50 -6.328 -7.891 -5.301 384 HB3 PRO 50 3HB PRO 50 -7.357 -7.576 -6.718 385 HG2 PRO 50 2HG PRO 50 -5.694 -9.640 -6.727 386 HG3 PRO 50 3HG PRO 50 -5.913 -8.654 -8.193 387 HD2 PRO 50 2HD PRO 50 -3.635 -8.616 -6.214 388 HD3 PRO 50 3HD PRO 50 -3.588 -8.535 -7.993 389 H LEU 51 H LEU 51 -4.023 -6.438 -4.590 390 HA LEU 51 HA LEU 51 -5.448 -4.851 -2.717 391 HB2 LEU 51 2HB LEU 51 -3.805 -6.555 -2.009 392 HB3 LEU 51 3HB LEU 51 -2.503 -5.625 -2.737 393 HG LEU 51 HG LEU 51 -2.852 -3.806 -1.093 394 HD11 LEU 51 1HD1 LEU 51 -5.015 -5.544 0.133 395 HD12 LEU 51 2HD1 LEU 51 -5.258 -4.014 -0.713 396 HD13 LEU 51 3HD1 LEU 51 -4.378 -4.043 0.810 397 HD21 LEU 51 3HD2 LEU 51 -2.538 -6.506 0.261 398 HD22 LEU 51 1HD2 LEU 51 -2.032 -4.945 0.917 399 HD23 LEU 51 2HD2 LEU 51 -1.256 -5.584 -0.530 400 H ALA 52 H ALA 52 -2.869 -4.160 -5.052 401 HA ALA 52 HA ALA 52 -2.187 -1.535 -4.238 402 HB1 ALA 52 3HB ALA 52 -0.814 -2.835 -5.811 403 HB2 ALA 52 1HB ALA 52 -1.241 -1.264 -6.492 404 HB3 ALA 52 2HB ALA 52 -2.083 -2.721 -7.030 405 H ARG 53 H ARG 53 -4.584 -2.740 -6.621 406 HA ARG 53 HA ARG 53 -5.728 -0.339 -7.474 407 HB2 ARG 53 2HB ARG 53 -7.033 -3.056 -7.031 408 HB3 ARG 53 3HB ARG 53 -7.867 -1.705 -7.790 409 HG2 ARG 53 2HG ARG 53 -6.144 -1.705 -9.601 410 HG3 ARG 53 3HG ARG 53 -5.416 -3.137 -8.865 411 HD2 ARG 53 2HD ARG 53 -6.958 -3.672 -10.774 412 HD3 ARG 53 3HD ARG 53 -7.438 -4.438 -9.254 413 HE ARG 53 HE ARG 53 -8.725 -1.912 -9.665 414 HH11 ARG 53 1HH1 ARG 53 -8.999 -5.307 -10.571 415 HH12 ARG 53 2HH1 ARG 53 -10.700 -5.203 -10.881 416 HH21 ARG 53 1HH2 ARG 53 -10.941 -1.814 -10.015 417 HH22 ARG 53 2HH2 ARG 53 -11.805 -3.215 -10.565 418 H GLN 54 H GLN 54 -6.500 -2.316 -4.619 419 HA GLN 54 HA GLN 54 -8.733 -0.779 -3.707 420 HB2 GLN 54 2HB GLN 54 -6.946 -2.735 -2.220 421 HB3 GLN 54 3HB GLN 54 -8.470 -2.105 -1.602 422 HG2 GLN 54 2HG GLN 54 -9.674 -3.196 -3.453 423 HG3 GLN 54 3HG GLN 54 -8.150 -3.824 -4.074 424 HE21 GLN 54 1HE2 GLN 54 -7.080 -4.433 -1.380 425 HE22 GLN 54 2HE2 GLN 54 -7.952 -5.810 -0.823 426 H LEU 55 H LEU 55 -5.271 -0.612 -3.130 427 HA LEU 55 HA LEU 55 -5.380 1.287 -0.973 428 HB2 LEU 55 2HB LEU 55 -3.080 0.433 -2.768 429 HB3 LEU 55 3HB LEU 55 -2.899 1.532 -1.407 430 HG LEU 55 HG LEU 55 -3.784 -1.379 -1.225 431 HD11 LEU 55 1HD1 LEU 55 -1.636 -1.795 -0.126 432 HD12 LEU 55 2HD1 LEU 55 -1.166 -0.111 -0.372 433 HD13 LEU 55 3HD1 LEU 55 -1.405 -1.173 -1.761 434 HD21 LEU 55 3HD2 LEU 55 -4.884 -0.059 0.513 435 HD22 LEU 55 1HD2 LEU 55 -3.332 0.617 1.019 436 HD23 LEU 55 2HD2 LEU 55 -3.658 -1.106 1.219 437 H PHE 56 H PHE 56 -5.248 1.523 -4.488 438 HA PHE 56 HA PHE 56 -4.950 4.402 -4.537 439 HB2 PHE 56 2HB PHE 56 -5.580 2.306 -6.628 440 HB3 PHE 56 3HB PHE 56 -5.896 3.997 -6.998 441 HD1 PHE 56 HD1 PHE 56 -4.025 5.652 -7.009 442 HD2 PHE 56 HD2 PHE 56 -3.295 1.465 -6.603 443 HE1 PHE 56 HE1 PHE 56 -1.677 5.987 -7.631 444 HE2 PHE 56 HE2 PHE 56 -0.948 1.816 -7.223 445 HZ PHE 56 HZ PHE 56 -0.144 4.077 -7.738 446 H ARG 57 H ARG 57 -7.619 2.239 -4.032 447 HA ARG 57 HA ARG 57 -9.717 4.136 -4.563 448 HB2 ARG 57 2HB ARG 57 -9.764 1.632 -2.815 449 HB3 ARG 57 3HB ARG 57 -11.179 2.559 -3.305 450 HG2 ARG 57 2HG ARG 57 -10.655 2.023 -5.699 451 HG3 ARG 57 3HG ARG 57 -9.328 1.006 -5.140 452 HD2 ARG 57 2HD ARG 57 -11.218 -0.418 -5.609 453 HD3 ARG 57 3HD ARG 57 -11.005 -0.369 -3.855 454 HE ARG 57 HE ARG 57 -12.818 1.624 -4.375 455 HH11 ARG 57 1HH1 ARG 57 -12.753 -1.842 -5.062 456 HH12 ARG 57 2HH1 ARG 57 -14.486 -1.999 -5.018 457 HH21 ARG 57 1HH2 ARG 57 -15.084 1.406 -4.334 458 HH22 ARG 57 2HH2 ARG 57 -15.808 -0.154 -4.606 459 H ILE 58 H ILE 58 -7.403 3.839 -2.045 460 HA ILE 58 HA ILE 58 -8.947 5.073 0.074 461 HB ILE 58 HB ILE 58 -5.903 4.812 -0.161 462 HG12 ILE 58 2HG1 ILE 58 -6.955 2.566 -0.238 463 HG13 ILE 58 3HG1 ILE 58 -6.055 2.798 1.254 464 HG21 ILE 58 1HG2 ILE 58 -7.638 5.353 2.287 465 HG22 ILE 58 2HG2 ILE 58 -6.570 6.507 1.486 466 HG23 ILE 58 3HG2 ILE 58 -5.890 5.103 2.304 467 HD11 ILE 58 3HD1 ILE 58 -8.107 1.632 1.684 468 HD12 ILE 58 1HD1 ILE 58 -9.045 2.920 0.927 469 HD13 ILE 58 2HD1 ILE 58 -8.171 3.230 2.432 470 H GLU 59 H GLU 59 -9.432 7.152 0.053 471 HA GLU 59 HA GLU 59 -8.645 9.025 -1.877 472 HB2 GLU 59 2HB GLU 59 -9.927 9.463 0.851 473 HB3 GLU 59 3HB GLU 59 -9.815 10.694 -0.405 474 HG2 GLU 59 2HG GLU 59 -11.244 9.385 -1.880 475 HG3 GLU 59 3HG GLU 59 -11.267 8.053 -0.728 476 H GLY 60 H GLY 60 -6.740 9.947 -2.096 477 HA2 GLY 60 2HA GLY 60 -5.253 11.681 -1.272 478 HA3 GLY 60 3HA GLY 60 -5.229 10.872 0.290 479 H VAL 61 H VAL 61 -5.098 8.588 -2.216 480 HA VAL 61 HA VAL 61 -2.182 8.289 -1.878 481 HB VAL 61 HB VAL 61 -4.290 6.309 -2.870 482 HG11 VAL 61 1HG1 VAL 61 -1.284 5.862 -2.600 483 HG12 VAL 61 2HG1 VAL 61 -2.197 5.915 -4.110 484 HG13 VAL 61 3HG1 VAL 61 -2.484 4.613 -2.956 485 HG21 VAL 61 3HG2 VAL 61 -3.736 5.078 -0.793 486 HG22 VAL 61 1HG2 VAL 61 -4.302 6.709 -0.431 487 HG23 VAL 61 2HG2 VAL 61 -2.580 6.332 -0.345 488 H LYS 62 H LYS 62 -0.847 8.892 -3.396 489 HA LYS 62 HA LYS 62 -1.685 9.589 -6.126 490 HB2 LYS 62 2HB LYS 62 -0.262 11.208 -5.087 491 HB3 LYS 62 3HB LYS 62 0.851 9.988 -4.498 492 HG2 LYS 62 2HG LYS 62 1.894 11.262 -6.275 493 HG3 LYS 62 3HG LYS 62 1.634 9.604 -6.820 494 HD2 LYS 62 2HD LYS 62 -0.454 10.417 -8.014 495 HD3 LYS 62 3HD LYS 62 0.020 12.066 -7.588 496 HE2 LYS 62 2HE LYS 62 0.739 11.557 -9.863 497 HE3 LYS 62 3HE LYS 62 2.157 11.741 -8.829 498 HZ1 LYS 62 3HZ LYS 62 2.295 9.324 -8.668 499 HZ2 LYS 62 1HZ LYS 62 2.373 9.830 -10.278 500 HZ3 LYS 62 2HZ LYS 62 0.941 9.159 -9.674 501 H SER 63 H SER 63 0.404 7.305 -4.427 502 HA SER 63 HA SER 63 0.746 5.578 -6.701 503 HB2 SER 63 2HB SER 63 3.173 7.101 -5.615 504 HB3 SER 63 3HB SER 63 3.252 5.738 -6.735 505 HG SER 63 HG SER 63 1.676 7.249 -7.970 506 H VAL 64 H VAL 64 1.632 3.561 -6.092 507 HA VAL 64 HA VAL 64 2.174 3.143 -3.197 508 HB VAL 64 HB VAL 64 0.569 1.163 -4.914 509 HG11 VAL 64 1HG1 VAL 64 0.130 0.019 -2.783 510 HG12 VAL 64 2HG1 VAL 64 1.130 1.194 -1.925 511 HG13 VAL 64 3HG1 VAL 64 1.860 0.110 -3.112 512 HG21 VAL 64 3HG2 VAL 64 -0.516 3.044 -2.779 513 HG22 VAL 64 1HG2 VAL 64 -1.428 1.769 -3.596 514 HG23 VAL 64 2HG2 VAL 64 -0.825 3.149 -4.513 515 H PHE 65 H PHE 65 3.852 1.746 -2.789 516 HA PHE 65 HA PHE 65 5.270 0.514 -5.083 517 HB2 PHE 65 2HB PHE 65 6.602 2.391 -4.247 518 HB3 PHE 65 3HB PHE 65 6.432 1.846 -2.580 519 HD1 PHE 65 HD2 PHE 65 7.841 0.775 -5.903 520 HD2 PHE 65 HD1 PHE 65 8.123 0.446 -1.647 521 HE1 PHE 65 HE2 PHE 65 9.905 -0.544 -6.137 522 HE2 PHE 65 HE1 PHE 65 10.184 -0.879 -1.892 523 HZ PHE 65 HZ PHE 65 11.074 -1.374 -4.135 524 H PHE 66 H PHE 66 5.035 -1.614 -4.936 525 HA PHE 66 HA PHE 66 4.893 -3.006 -2.354 526 HB2 PHE 66 2HB PHE 66 4.361 -3.835 -5.231 527 HB3 PHE 66 3HB PHE 66 4.636 -5.049 -3.986 528 HD1 PHE 66 HD2 PHE 66 2.727 -1.862 -3.468 529 HD2 PHE 66 HD1 PHE 66 2.491 -6.088 -4.051 530 HE1 PHE 66 HE2 PHE 66 0.338 -1.827 -2.888 531 HE2 PHE 66 HE1 PHE 66 0.103 -6.025 -3.471 532 HZ PHE 66 HZ PHE 66 -0.976 -3.899 -2.887 533 H GLY 67 H GLY 67 6.721 -3.500 -1.478 534 HA2 GLY 67 2HA GLY 67 9.204 -3.963 -3.026 535 HA3 GLY 67 3HA GLY 67 9.130 -3.279 -1.403 536 HA PRO 68 HA PRO 68 9.847 -8.045 -1.338 537 HB2 PRO 68 2HB PRO 68 12.054 -7.148 0.517 538 HB3 PRO 68 3HB PRO 68 12.073 -8.407 -0.738 539 HG2 PRO 68 2HG PRO 68 13.286 -6.084 -1.193 540 HG3 PRO 68 3HG PRO 68 12.347 -6.873 -2.486 541 HD2 PRO 68 2HD PRO 68 11.551 -4.541 -0.739 542 HD3 PRO 68 3HD PRO 68 11.302 -4.788 -2.482 543 H ASP 69 H ASP 69 7.857 -8.099 -0.318 544 HA ASP 69 HA ASP 69 6.404 -8.693 1.275 545 HB2 ASP 69 2HB ASP 69 8.888 -9.254 2.936 546 HB3 ASP 69 3HB ASP 69 7.272 -9.866 3.282 547 H SER 70 H SER 70 7.143 -5.934 1.077 548 HA SER 70 HA SER 70 5.760 -4.917 3.414 549 HB2 SER 70 2HB SER 70 7.534 -3.123 3.792 550 HB3 SER 70 3HB SER 70 8.043 -4.749 4.252 551 HG SER 70 HG SER 70 9.050 -4.884 2.142 552 H ILE 71 H ILE 71 4.903 -2.712 2.960 553 HA ILE 71 HA ILE 71 4.793 -2.091 0.056 554 HB ILE 71 HB ILE 71 2.400 -2.318 1.964 555 HG12 ILE 71 2HG1 ILE 71 3.031 -3.946 -0.547 556 HG13 ILE 71 3HG1 ILE 71 3.250 -4.514 1.103 557 HG21 ILE 71 1HG2 ILE 71 0.972 -1.718 0.026 558 HG22 ILE 71 2HG2 ILE 71 2.409 -1.426 -0.953 559 HG23 ILE 71 3HG2 ILE 71 2.073 -0.404 0.446 560 HD11 ILE 71 3HD1 ILE 71 1.240 -5.418 0.138 561 HD12 ILE 71 1HD1 ILE 71 0.622 -3.799 -0.188 562 HD13 ILE 71 2HD1 ILE 71 0.838 -4.347 1.478 563 H THR 72 H THR 72 5.750 -0.104 -0.008 564 HA THR 72 HA THR 72 5.229 1.899 2.070 565 HB THR 72 HB THR 72 7.026 2.096 -0.399 566 HG1 THR 72 HG1 THR 72 8.372 0.913 0.674 567 HG21 THR 72 3HG2 THR 72 8.138 3.924 0.844 568 HG22 THR 72 1HG2 THR 72 6.945 3.781 2.136 569 HG23 THR 72 2HG2 THR 72 6.447 4.304 0.524 570 H VAL 73 H VAL 73 3.481 3.210 1.797 571 HA VAL 73 HA VAL 73 2.245 3.504 -0.882 572 HB VAL 73 HB VAL 73 1.027 4.054 1.888 573 HG11 VAL 73 1HG1 VAL 73 0.023 5.489 0.150 574 HG12 VAL 73 2HG1 VAL 73 -1.133 4.292 0.728 575 HG13 VAL 73 3HG1 VAL 73 -0.342 4.069 -0.834 576 HG21 VAL 73 3HG2 VAL 73 -0.350 2.041 1.536 577 HG22 VAL 73 1HG2 VAL 73 1.369 1.639 1.535 578 HG23 VAL 73 2HG2 VAL 73 0.481 1.721 0.011 579 H THR 74 H THR 74 1.866 5.622 -1.645 580 HA THR 74 HA THR 74 3.201 7.847 -0.209 581 HB THR 74 HB THR 74 3.158 7.325 -3.229 582 HG1 THR 74 HG1 THR 74 4.614 6.057 -1.731 583 HG21 THR 74 3HG2 THR 74 4.728 9.234 -3.386 584 HG22 THR 74 1HG2 THR 74 4.546 9.535 -1.656 585 HG23 THR 74 2HG2 THR 74 3.170 9.749 -2.740 586 H LYS 75 H LYS 75 1.953 9.563 0.118 587 HA LYS 75 HA LYS 75 -0.803 9.700 -0.748 588 HB2 LYS 75 2HB LYS 75 -0.991 11.553 0.794 589 HB3 LYS 75 3HB LYS 75 0.061 10.379 1.581 590 HG2 LYS 75 2HG LYS 75 2.040 11.724 0.702 591 HG3 LYS 75 3HG LYS 75 0.875 12.945 0.193 592 HD2 LYS 75 2HD LYS 75 1.858 13.583 2.319 593 HD3 LYS 75 3HD LYS 75 0.147 13.228 2.542 594 HE2 LYS 75 2HE LYS 75 0.627 11.148 3.600 595 HE3 LYS 75 3HE LYS 75 2.322 11.202 3.109 596 HZ1 LYS 75 3HZ LYS 75 2.672 13.054 4.574 597 HZ2 LYS 75 1HZ LYS 75 1.999 11.777 5.452 598 HZ3 LYS 75 2HZ LYS 75 1.043 13.094 5.006 599 H GLU 76 H GLU 76 -1.598 11.917 -1.537 600 HA GLU 76 HA GLU 76 -0.292 12.579 -4.007 601 HB2 GLU 76 2HB GLU 76 -2.690 13.923 -2.686 602 HB3 GLU 76 3HB GLU 76 -2.182 14.127 -4.361 603 HG2 GLU 76 2HG GLU 76 -2.602 11.704 -4.766 604 HG3 GLU 76 3HG GLU 76 -3.173 11.545 -3.109 605 H ASN 77 H ASN 77 -1.136 14.547 -1.172 606 HA ASN 77 HA ASN 77 1.138 16.371 -1.664 607 HB2 ASN 77 2HB ASN 77 -0.387 18.284 -1.047 608 HB3 ASN 77 3HB ASN 77 -0.851 17.502 -2.553 609 HD21 ASN 77 1HD2 ASN 77 -2.728 16.117 -2.533 610 HD22 ASN 77 2HD2 ASN 77 -3.953 16.319 -1.330 611 H GLU 78 H GLU 78 1.894 17.446 0.308 612 HA GLU 78 HA GLU 78 1.941 15.564 2.486 613 HB2 GLU 78 2HB GLU 78 3.297 18.281 2.293 614 HB3 GLU 78 3HB GLU 78 3.657 17.023 3.473 615 HG2 GLU 78 2HG GLU 78 4.305 15.517 1.532 616 HG3 GLU 78 3HG GLU 78 4.154 16.926 0.483 617 H GLU 79 H GLU 79 -0.250 17.971 1.820 618 HA GLU 79 HA GLU 79 -0.864 18.911 4.471 619 HB2 GLU 79 2HB GLU 79 -1.559 20.119 2.399 620 HB3 GLU 79 3HB GLU 79 -2.620 18.783 1.976 621 HG2 GLU 79 2HG GLU 79 -3.955 20.565 2.885 622 HG3 GLU 79 3HG GLU 79 -3.943 19.245 4.049 623 H LEU 80 H LEU 80 -1.483 16.017 2.654 624 HA LEU 80 HA LEU 80 -3.668 14.987 4.224 625 HB2 LEU 80 2HB LEU 80 -1.688 13.588 2.379 626 HB3 LEU 80 3HB LEU 80 -3.178 12.882 2.992 627 HG LEU 80 HG LEU 80 -3.121 15.346 1.219 628 HD11 LEU 80 1HD1 LEU 80 -2.120 13.518 -0.006 629 HD12 LEU 80 2HD1 LEU 80 -3.725 13.859 -0.646 630 HD13 LEU 80 3HD1 LEU 80 -3.471 12.459 0.402 631 HD21 LEU 80 3HD2 LEU 80 -5.484 14.819 0.810 632 HD22 LEU 80 1HD2 LEU 80 -5.167 15.124 2.516 633 HD23 LEU 80 2HD2 LEU 80 -5.383 13.469 1.944 634 H ASP 81 H ASP 81 -3.350 14.401 6.244 635 HA ASP 81 HA ASP 81 -0.720 13.662 7.288 636 HB2 ASP 81 2HB ASP 81 -2.282 15.132 8.594 637 HB3 ASP 81 3HB ASP 81 -3.402 13.781 8.741 638 H TRP 82 H TRP 82 -0.090 11.582 7.880 639 HA TRP 82 HA TRP 82 -1.258 9.461 6.438 640 HB2 TRP 82 2HB TRP 82 1.051 9.624 8.368 641 HB3 TRP 82 3HB TRP 82 0.400 8.025 8.027 642 HD1 TRP 82 HD1 TRP 82 3.122 10.059 6.867 643 HE1 TRP 82 HE1 TRP 82 3.807 9.481 4.452 644 HE3 TRP 82 HE3 TRP 82 -1.042 7.415 5.430 645 HZ2 TRP 82 HZ2 TRP 82 2.727 8.097 2.248 646 HZ3 TRP 82 HZ3 TRP 82 -1.130 6.506 3.144 647 HH2 TRP 82 HH2 TRP 82 0.722 6.842 1.587 648 H ASN 83 H ASN 83 -1.761 10.469 9.775 649 HA ASN 83 HA ASN 83 -2.817 8.051 10.819 650 HB2 ASN 83 2HB ASN 83 -2.090 9.841 12.303 651 HB3 ASN 83 3HB ASN 83 -3.270 10.952 11.629 652 HD21 ASN 83 1HD2 ASN 83 -2.866 8.100 13.678 653 HD22 ASN 83 2HD2 ASN 83 -4.377 8.254 14.502 654 H LEU 84 H LEU 84 -4.195 10.406 8.673 655 HA LEU 84 HA LEU 84 -6.980 9.807 9.114 656 HB2 LEU 84 2HB LEU 84 -5.587 11.107 6.731 657 HB3 LEU 84 3HB LEU 84 -7.322 11.096 6.999 658 HG LEU 84 HG LEU 84 -5.254 12.520 8.722 659 HD11 LEU 84 1HD1 LEU 84 -5.618 13.650 6.577 660 HD12 LEU 84 2HD1 LEU 84 -6.265 14.607 7.907 661 HD13 LEU 84 3HD1 LEU 84 -7.360 13.689 6.870 662 HD21 LEU 84 3HD2 LEU 84 -7.167 13.471 9.971 663 HD22 LEU 84 1HD2 LEU 84 -7.062 11.720 10.146 664 HD23 LEU 84 2HD2 LEU 84 -8.270 12.426 9.072 665 H LEU 85 H LEU 85 -4.497 8.807 6.773 666 HA LEU 85 HA LEU 85 -6.255 7.080 5.249 667 HB2 LEU 85 2HB LEU 85 -3.215 7.407 5.143 668 HB3 LEU 85 3HB LEU 85 -4.158 6.421 4.043 669 HG LEU 85 HG LEU 85 -5.413 8.655 3.457 670 HD11 LEU 85 1HD1 LEU 85 -4.515 10.047 5.224 671 HD12 LEU 85 2HD1 LEU 85 -4.093 10.702 3.643 672 HD13 LEU 85 3HD1 LEU 85 -2.878 9.843 4.595 673 HD21 LEU 85 3HD2 LEU 85 -3.803 9.167 1.669 674 HD22 LEU 85 1HD2 LEU 85 -4.026 7.428 1.861 675 HD23 LEU 85 2HD2 LEU 85 -2.573 8.204 2.493 676 H LYS 86 H LYS 86 -3.917 6.637 7.886 677 HA LYS 86 HA LYS 86 -3.153 4.033 7.633 678 HB2 LYS 86 2HB LYS 86 -3.562 5.689 10.133 679 HB3 LYS 86 3HB LYS 86 -3.033 4.014 10.258 680 HG2 LYS 86 2HG LYS 86 -1.032 4.482 8.978 681 HG3 LYS 86 3HG LYS 86 -1.571 6.136 8.660 682 HD2 LYS 86 2HD LYS 86 -1.503 6.601 11.111 683 HD3 LYS 86 3HD LYS 86 -0.892 4.967 11.390 684 HE2 LYS 86 2HE LYS 86 1.133 5.480 10.122 685 HE3 LYS 86 3HE LYS 86 0.502 7.078 9.716 686 HZ1 LYS 86 3HZ LYS 86 1.110 6.137 12.470 687 HZ2 LYS 86 1HZ LYS 86 0.576 7.684 12.038 688 HZ3 LYS 86 2HZ LYS 86 2.097 7.144 11.538 689 HA PRO 87 HA PRO 87 -6.744 2.189 10.394 690 HB2 PRO 87 2HB PRO 87 -9.171 3.526 10.490 691 HB3 PRO 87 3HB PRO 87 -7.887 3.754 11.691 692 HG2 PRO 87 2HG PRO 87 -8.534 5.447 9.299 693 HG3 PRO 87 3HG PRO 87 -8.174 5.954 10.966 694 HD2 PRO 87 2HD PRO 87 -6.287 6.069 9.057 695 HD3 PRO 87 3HD PRO 87 -5.874 5.600 10.723 696 H ASP 88 H ASP 88 -7.633 4.049 7.504 697 HA ASP 88 HA ASP 88 -9.552 2.162 6.507 698 HB2 ASP 88 2HB ASP 88 -9.446 4.695 6.049 699 HB3 ASP 88 3HB ASP 88 -8.139 4.350 4.920 700 H ILE 89 H ILE 89 -6.162 2.952 5.684 701 HA ILE 89 HA ILE 89 -5.732 1.032 3.647 702 HB ILE 89 HB ILE 89 -3.773 2.464 5.513 703 HG12 ILE 89 2HG1 ILE 89 -4.455 2.862 2.557 704 HG13 ILE 89 3HG1 ILE 89 -4.908 3.927 3.880 705 HG21 ILE 89 1HG2 ILE 89 -3.011 0.702 3.154 706 HG22 ILE 89 2HG2 ILE 89 -2.713 0.336 4.853 707 HG23 ILE 89 3HG2 ILE 89 -1.901 1.705 4.094 708 HD11 ILE 89 3HD1 ILE 89 -3.110 4.895 2.633 709 HD12 ILE 89 1HD1 ILE 89 -2.124 3.444 2.829 710 HD13 ILE 89 2HD1 ILE 89 -2.516 4.443 4.231 711 H TYR 90 H TYR 90 -5.419 0.904 7.160 712 HA TYR 90 HA TYR 90 -4.281 -1.667 7.455 713 HB2 TYR 90 2HB TYR 90 -5.798 0.202 9.287 714 HB3 TYR 90 3HB TYR 90 -5.604 -1.471 9.794 715 HD1 TYR 90 HD2 TYR 90 -3.106 0.770 8.030 716 HD2 TYR 90 HD1 TYR 90 -4.099 -1.380 11.595 717 HE1 TYR 90 HE2 TYR 90 -0.889 1.278 8.969 718 HE2 TYR 90 HE1 TYR 90 -1.884 -0.870 12.507 719 HH TYR 90 HH TYR 90 0.329 -0.285 11.736 720 H ALA 91 H ALA 91 -7.671 -0.568 7.558 721 HA ALA 91 HA ALA 91 -8.911 -3.050 7.983 722 HB1 ALA 91 3HB ALA 91 -10.066 -0.890 8.253 723 HB2 ALA 91 1HB ALA 91 -10.967 -1.956 7.172 724 HB3 ALA 91 2HB ALA 91 -10.007 -0.629 6.510 725 H THR 92 H THR 92 -8.046 -1.380 4.976 726 HA THR 92 HA THR 92 -9.157 -3.118 3.074 727 HB THR 92 HB THR 92 -6.740 -1.266 2.859 728 HG1 THR 92 HG1 THR 92 -8.264 0.193 2.926 729 HG21 THR 92 3HG2 THR 92 -6.722 -2.873 0.971 730 HG22 THR 92 1HG2 THR 92 -7.134 -1.247 0.421 731 HG23 THR 92 2HG2 THR 92 -8.398 -2.463 0.601 732 H ILE 93 H ILE 93 -5.776 -2.992 4.302 733 HA ILE 93 HA ILE 93 -4.851 -5.151 2.663 734 HB ILE 93 HB ILE 93 -3.499 -3.824 5.058 735 HG12 ILE 93 2HG1 ILE 93 -3.129 -3.362 2.059 736 HG13 ILE 93 3HG1 ILE 93 -3.884 -2.248 3.190 737 HG21 ILE 93 1HG2 ILE 93 -1.382 -4.807 4.272 738 HG22 ILE 93 2HG2 ILE 93 -2.238 -5.655 2.984 739 HG23 ILE 93 3HG2 ILE 93 -2.549 -6.070 4.667 740 HD11 ILE 93 3HD1 ILE 93 -1.650 -1.527 2.626 741 HD12 ILE 93 1HD1 ILE 93 -0.979 -3.063 3.173 742 HD13 ILE 93 2HD1 ILE 93 -1.732 -1.963 4.332 743 H MET 94 H MET 94 -5.676 -4.922 6.160 744 HA MET 94 HA MET 94 -5.023 -7.570 6.886 745 HB2 MET 94 2HB MET 94 -7.089 -5.714 8.146 746 HB3 MET 94 3HB MET 94 -6.586 -7.246 8.846 747 HG2 MET 94 2HG MET 94 -4.259 -6.360 9.004 748 HG3 MET 94 3HG MET 94 -4.852 -4.803 8.424 749 HE1 MET 94 3HE MET 94 -6.764 -3.355 9.821 750 HE2 MET 94 1HE MET 94 -7.346 -3.849 11.410 751 HE3 MET 94 2HE MET 94 -7.799 -4.777 9.981 752 H ASP 95 H ASP 95 -8.112 -6.171 5.743 753 HA ASP 95 HA ASP 95 -9.708 -8.474 5.769 754 HB2 ASP 95 2HB ASP 95 -10.608 -6.199 5.426 755 HB3 ASP 95 3HB ASP 95 -9.827 -6.096 3.852 756 H PHE 96 H PHE 96 -7.554 -7.217 3.253 757 HA PHE 96 HA PHE 96 -8.248 -8.860 1.098 758 HB2 PHE 96 2HB PHE 96 -6.860 -6.796 0.936 759 HB3 PHE 96 3HB PHE 96 -5.530 -7.618 1.740 760 HD1 PHE 96 HD2 PHE 96 -7.533 -7.453 -1.381 761 HD2 PHE 96 HD1 PHE 96 -4.067 -9.116 0.494 762 HE1 PHE 96 HE2 PHE 96 -6.703 -8.199 -3.570 763 HE2 PHE 96 HE1 PHE 96 -3.253 -9.861 -1.700 764 HZ PHE 96 HZ PHE 96 -4.555 -9.403 -3.732 765 H PHE 97 H PHE 97 -5.629 -9.248 3.474 766 HA PHE 97 HA PHE 97 -4.795 -11.843 2.503 767 HB2 PHE 97 2HB PHE 97 -4.063 -10.248 4.977 768 HB3 PHE 97 3HB PHE 97 -3.407 -11.850 4.663 769 HD1 PHE 97 HD1 PHE 97 -3.424 -8.329 3.492 770 HD2 PHE 97 HD2 PHE 97 -1.688 -12.193 2.967 771 HE1 PHE 97 HE1 PHE 97 -1.625 -7.343 2.139 772 HE2 PHE 97 HE2 PHE 97 0.112 -11.194 1.619 773 HZ PHE 97 HZ PHE 97 0.138 -8.773 1.207 774 H ALA 98 H ALA 98 -7.044 -10.739 4.986 775 HA ALA 98 HA ALA 98 -7.479 -13.239 6.277 776 HB1 ALA 98 3HB ALA 98 -9.574 -12.237 7.108 777 HB2 ALA 98 1HB ALA 98 -9.398 -10.900 5.962 778 HB3 ALA 98 2HB ALA 98 -8.224 -11.112 7.261 779 H SER 99 H SER 99 -8.767 -11.752 3.360 780 HA SER 99 HA SER 99 -10.733 -13.801 2.783 781 HB2 SER 99 2HB SER 99 -9.544 -11.652 0.962 782 HB3 SER 99 3HB SER 99 -10.993 -12.609 0.633 783 HG SER 99 HG SER 99 -10.668 -10.372 2.191 784 H GLY 100 H GLY 100 -7.348 -13.263 2.266 785 HA2 GLY 100 2HA GLY 100 -5.682 -14.634 1.503 786 HA3 GLY 100 3HA GLY 100 -6.873 -15.910 1.309 787 H LEU 101 H LEU 101 -7.141 -12.757 -0.199 788 HA LEU 101 HA LEU 101 -7.475 -13.836 -2.822 789 HB2 LEU 101 2HB LEU 101 -7.004 -10.947 -1.973 790 HB3 LEU 101 3HB LEU 101 -7.563 -11.464 -3.556 791 HG LEU 101 HG LEU 101 -9.097 -11.671 -0.943 792 HD11 LEU 101 1HD1 LEU 101 -10.658 -10.087 -2.032 793 HD12 LEU 101 2HD1 LEU 101 -9.560 -9.965 -3.410 794 HD13 LEU 101 3HD1 LEU 101 -9.046 -9.408 -1.815 795 HD21 LEU 101 3HD2 LEU 101 -9.928 -12.638 -3.700 796 HD22 LEU 101 1HD2 LEU 101 -10.980 -12.554 -2.283 797 HD23 LEU 101 2HD2 LEU 101 -9.597 -13.645 -2.288 798 HA PRO 102 HA PRO 102 -3.116 -14.144 -4.199 799 HB2 PRO 102 2HB PRO 102 -4.424 -13.117 -6.744 800 HB3 PRO 102 3HB PRO 102 -3.241 -14.434 -6.544 801 HG2 PRO 102 2HG PRO 102 -5.790 -15.026 -6.890 802 HG3 PRO 102 3HG PRO 102 -4.837 -15.921 -5.683 803 HD2 PRO 102 2HD PRO 102 -6.893 -13.773 -5.254 804 HD3 PRO 102 3HD PRO 102 -6.536 -15.207 -4.266 805 H LEU 103 H LEU 103 -1.737 -12.623 -3.526 806 HA LEU 103 HA LEU 103 -2.213 -9.865 -3.371 807 HB2 LEU 103 2HB LEU 103 -0.546 -11.341 -2.046 808 HB3 LEU 103 3HB LEU 103 0.545 -11.172 -3.408 809 HG LEU 103 HG LEU 103 1.005 -9.639 -1.430 810 HD11 LEU 103 1HD1 LEU 103 1.907 -9.119 -3.658 811 HD12 LEU 103 2HD1 LEU 103 1.569 -7.676 -2.711 812 HD13 LEU 103 3HD1 LEU 103 0.470 -8.154 -4.012 813 HD21 LEU 103 3HD2 LEU 103 -1.475 -8.150 -2.343 814 HD22 LEU 103 1HD2 LEU 103 -0.347 -7.656 -1.077 815 HD23 LEU 103 2HD2 LEU 103 -1.336 -9.096 -0.859 816 H VAL 104 H VAL 104 -0.484 -11.839 -5.729 817 HA VAL 104 HA VAL 104 -0.337 -9.578 -7.631 818 HB VAL 104 HB VAL 104 1.823 -11.717 -7.183 819 HG11 VAL 104 1HG1 VAL 104 1.672 -11.055 -9.548 820 HG12 VAL 104 2HG1 VAL 104 3.171 -10.471 -8.829 821 HG13 VAL 104 3HG1 VAL 104 1.831 -9.351 -9.100 822 HG21 VAL 104 3HG2 VAL 104 3.273 -9.892 -6.401 823 HG22 VAL 104 1HG2 VAL 104 1.846 -10.053 -5.378 824 HG23 VAL 104 2HG2 VAL 104 1.942 -8.744 -6.559 825 H THR 105 H THR 105 -1.861 -10.172 -9.083 826 HA THR 105 HA THR 105 -2.134 -12.957 -9.994 827 HB THR 105 HB THR 105 -4.048 -11.997 -11.362 828 HG1 THR 105 HG1 THR 105 -3.578 -9.888 -11.593 829 HG21 THR 105 3HG2 THR 105 -4.198 -11.412 -8.378 830 HG22 THR 105 1HG2 THR 105 -4.550 -12.964 -9.143 831 HG23 THR 105 2HG2 THR 105 -5.578 -11.568 -9.464 832 H GLU 106 H GLU 106 -1.511 -9.709 -11.285 833 HA GLU 106 HA GLU 106 -0.094 -10.814 -13.649 834 HB2 GLU 106 2HB GLU 106 -1.401 -8.075 -13.247 835 HB3 GLU 106 3HB GLU 106 -0.551 -8.581 -14.696 836 HG2 GLU 106 2HG GLU 106 -3.120 -9.774 -13.642 837 HG3 GLU 106 3HG GLU 106 -2.972 -8.664 -15.004 838 H GLU 107 H GLU 107 1.899 -9.591 -14.257 839 HA GLU 107 HA GLU 107 3.049 -7.756 -12.312 840 HB2 GLU 107 2HB GLU 107 5.170 -9.184 -12.110 841 HB3 GLU 107 3HB GLU 107 3.761 -9.769 -11.238 842 HG2 GLU 107 2HG GLU 107 3.360 -11.491 -12.908 843 HG3 GLU 107 3HG GLU 107 4.625 -10.836 -13.942 Start of MODEL 19 1 H1 MET 1 1H MET 1 -13.391 -28.488 24.685 2 H2 MET 1 2H MET 1 -13.962 -29.953 24.072 3 H3 MET 1 3H MET 1 -14.493 -29.399 25.579 4 HA MET 1 HA MET 1 -15.003 -28.103 22.982 5 HB2 MET 1 2HB MET 1 -16.279 -30.214 23.297 6 HB3 MET 1 3HB MET 1 -16.880 -29.636 24.844 7 HG2 MET 1 2HG MET 1 -18.138 -27.866 23.727 8 HG3 MET 1 3HG MET 1 -17.460 -28.342 22.171 9 HE1 MET 1 3HE MET 1 -17.536 -31.532 22.264 10 HE2 MET 1 1HE MET 1 -18.084 -30.590 20.873 11 HE3 MET 1 2HE MET 1 -19.120 -31.842 21.557 12 H GLY 2 H GLY 2 -15.388 -25.962 23.171 13 HA2 GLY 2 2HA GLY 2 -16.800 -24.253 24.301 14 HA3 GLY 2 3HA GLY 2 -16.153 -24.832 25.829 15 H HIS 3 H HIS 3 -13.476 -25.159 24.305 16 HA HIS 3 HA HIS 3 -12.249 -22.709 25.057 17 HB2 HIS 3 2HB HIS 3 -11.158 -25.024 24.845 18 HB3 HIS 3 3HB HIS 3 -11.183 -24.810 23.105 19 HD1 HIS 3 HD1 HIS 3 -9.368 -23.769 26.183 20 HD2 HIS 3 HD2 HIS 3 -9.228 -23.017 22.098 21 HE1 HIS 3 HE1 HIS 3 -7.133 -22.707 25.770 22 HE2 HIS 3 HE2 HIS 3 -6.988 -22.473 23.272 23 H HIS 4 H HIS 4 -12.289 -20.780 23.964 24 HA HIS 4 HA HIS 4 -14.323 -20.439 22.142 25 HB2 HIS 4 2HB HIS 4 -13.759 -18.087 22.040 26 HB3 HIS 4 3HB HIS 4 -13.516 -18.663 23.678 27 HD1 HIS 4 HD1 HIS 4 -11.914 -16.736 21.082 28 HD2 HIS 4 HD2 HIS 4 -10.633 -19.086 24.258 29 HE1 HIS 4 HE1 HIS 4 -9.541 -16.038 21.524 30 HE2 HIS 4 HE2 HIS 4 -8.817 -17.436 23.475 31 H HIS 5 H HIS 5 -10.820 -20.451 21.358 32 HA HIS 5 HA HIS 5 -9.662 -20.442 19.397 33 HB2 HIS 5 2HB HIS 5 -10.340 -22.800 19.628 34 HB3 HIS 5 3HB HIS 5 -11.828 -22.489 18.750 35 HD1 HIS 5 HD1 HIS 5 -8.074 -22.561 18.159 36 HD2 HIS 5 HD2 HIS 5 -11.638 -22.882 16.046 37 HE1 HIS 5 HE1 HIS 5 -7.424 -23.265 15.843 38 HE2 HIS 5 HE2 HIS 5 -9.581 -23.361 14.559 39 H HIS 6 H HIS 6 -10.466 -18.192 19.096 40 HA HIS 6 HA HIS 6 -11.923 -17.902 16.533 41 HB2 HIS 6 2HB HIS 6 -13.263 -17.156 18.570 42 HB3 HIS 6 3HB HIS 6 -12.060 -15.903 18.839 43 HD1 HIS 6 HD1 HIS 6 -15.063 -16.701 16.864 44 HD2 HIS 6 HD2 HIS 6 -12.014 -13.877 16.734 45 HE1 HIS 6 HE1 HIS 6 -15.879 -14.900 15.319 46 HE2 HIS 6 HE2 HIS 6 -13.934 -13.328 15.089 47 H HIS 7 H HIS 7 -10.130 -17.778 15.314 48 HA HIS 7 HA HIS 7 -7.799 -16.281 15.812 49 HB2 HIS 7 2HB HIS 7 -7.435 -16.476 13.273 50 HB3 HIS 7 3HB HIS 7 -7.610 -17.984 14.157 51 HD1 HIS 7 HD1 HIS 7 -9.500 -15.764 11.742 52 HD2 HIS 7 HD2 HIS 7 -9.711 -19.586 13.350 53 HE1 HIS 7 HE1 HIS 7 -11.235 -16.972 10.390 54 HE2 HIS 7 HE2 HIS 7 -11.250 -19.312 11.298 55 H HIS 8 H HIS 8 -7.972 -14.173 16.317 56 HA HIS 8 HA HIS 8 -9.670 -12.266 15.050 57 HB2 HIS 8 2HB HIS 8 -7.086 -11.813 16.612 58 HB3 HIS 8 3HB HIS 8 -8.242 -10.555 16.181 59 HD1 HIS 8 HD1 HIS 8 -7.289 -12.259 19.038 60 HD2 HIS 8 HD2 HIS 8 -11.010 -11.610 17.302 61 HE1 HIS 8 HE1 HIS 8 -8.955 -12.492 20.905 62 HE2 HIS 8 HE2 HIS 8 -11.185 -12.062 19.839 63 H SER 9 H SER 9 -9.508 -12.078 12.885 64 HA SER 9 HA SER 9 -6.975 -12.283 11.477 65 HB2 SER 9 2HB SER 9 -9.097 -13.338 10.615 66 HB3 SER 9 3HB SER 9 -9.746 -11.724 10.337 67 HG SER 9 HG SER 9 -8.076 -11.365 8.852 68 H HIS 10 H HIS 10 -6.353 -10.383 12.865 69 HA HIS 10 HA HIS 10 -6.537 -7.919 11.264 70 HB2 HIS 10 2HB HIS 10 -6.760 -8.155 14.297 71 HB3 HIS 10 3HB HIS 10 -6.194 -6.671 13.535 72 HD1 HIS 10 HD1 HIS 10 -8.011 -5.016 13.312 73 HD2 HIS 10 HD2 HIS 10 -9.482 -8.890 12.987 74 HE1 HIS 10 HE1 HIS 10 -10.479 -4.775 12.959 75 HE2 HIS 10 HE2 HIS 10 -11.310 -7.112 12.601 76 H MET 11 H MET 11 -4.696 -8.477 10.233 77 HA MET 11 HA MET 11 -2.313 -9.480 11.355 78 HB2 MET 11 2HB MET 11 -2.728 -7.890 8.785 79 HB3 MET 11 3HB MET 11 -1.266 -8.785 9.188 80 HG2 MET 11 2HG MET 11 -2.516 -10.888 9.149 81 HG3 MET 11 3HG MET 11 -4.011 -10.011 8.823 82 HE1 MET 11 3HE MET 11 -0.469 -11.007 7.419 83 HE2 MET 11 1HE MET 11 -0.416 -9.250 7.234 84 HE3 MET 11 2HE MET 11 -0.509 -10.289 5.810 85 H PHE 12 H PHE 12 -0.782 -8.496 12.509 86 HA PHE 12 HA PHE 12 -1.122 -5.775 13.380 87 HB2 PHE 12 2HB PHE 12 0.941 -7.906 14.090 88 HB3 PHE 12 3HB PHE 12 0.833 -6.337 14.884 89 HD1 PHE 12 HD2 PHE 12 -1.068 -5.802 16.359 90 HD2 PHE 12 HD1 PHE 12 -0.743 -9.670 14.560 91 HE1 PHE 12 HE2 PHE 12 -2.792 -6.660 17.884 92 HE2 PHE 12 HE1 PHE 12 -2.479 -10.519 16.092 93 HZ PHE 12 HZ PHE 12 -3.507 -9.013 17.750 94 H ILE 13 H ILE 13 -0.644 -4.296 11.862 95 HA ILE 13 HA ILE 13 1.689 -4.617 10.091 96 HB ILE 13 HB ILE 13 -0.624 -2.616 9.946 97 HG12 ILE 13 2HG1 ILE 13 -0.176 -5.131 8.264 98 HG13 ILE 13 3HG1 ILE 13 -1.359 -4.967 9.552 99 HG21 ILE 13 1HG2 ILE 13 0.189 -2.093 7.670 100 HG22 ILE 13 2HG2 ILE 13 1.558 -3.185 7.897 101 HG23 ILE 13 3HG2 ILE 13 1.413 -1.733 8.889 102 HD11 ILE 13 3HD1 ILE 13 -2.410 -4.768 7.403 103 HD12 ILE 13 1HD1 ILE 13 -1.350 -3.430 6.961 104 HD13 ILE 13 2HD1 ILE 13 -2.520 -3.237 8.270 105 H GLN 14 H GLN 14 3.489 -3.538 10.613 106 HA GLN 14 HA GLN 14 3.453 -1.426 12.670 107 HB2 GLN 14 2HB GLN 14 5.940 -1.907 12.785 108 HB3 GLN 14 3HB GLN 14 4.925 -3.278 13.216 109 HG2 GLN 14 2HG GLN 14 5.259 -4.189 10.918 110 HG3 GLN 14 3HG GLN 14 6.364 -2.856 10.592 111 HE21 GLN 14 1HE2 GLN 14 8.447 -2.886 11.561 112 HE22 GLN 14 2HE2 GLN 14 9.096 -4.312 12.289 113 H THR 15 H THR 15 4.179 0.639 12.200 114 HA THR 15 HA THR 15 4.659 1.278 9.361 115 HB THR 15 HB THR 15 4.225 3.679 10.137 116 HG1 THR 15 HG1 THR 15 2.776 3.048 12.311 117 HG21 THR 15 3HG2 THR 15 1.794 3.443 10.187 118 HG22 THR 15 1HG2 THR 15 1.931 1.725 10.566 119 HG23 THR 15 2HG2 THR 15 2.474 2.332 8.998 120 H GLN 16 H GLN 16 6.487 2.097 8.699 121 HA GLN 16 HA GLN 16 8.675 2.822 10.541 122 HB2 GLN 16 2HB GLN 16 9.161 0.615 9.530 123 HB3 GLN 16 3HB GLN 16 8.795 1.235 7.923 124 HG2 GLN 16 2HG GLN 16 10.731 2.827 8.185 125 HG3 GLN 16 3HG GLN 16 11.149 1.990 9.680 126 HE21 GLN 16 1HE2 GLN 16 12.644 2.287 7.163 127 HE22 GLN 16 2HE2 GLN 16 13.014 0.681 6.650 128 H ASP 17 H ASP 17 9.331 4.879 10.157 129 HA ASP 17 HA ASP 17 8.309 6.404 7.946 130 HB2 ASP 17 2HB ASP 17 9.499 8.303 8.887 131 HB3 ASP 17 3HB ASP 17 8.721 7.422 10.197 132 H THR 18 H THR 18 9.723 7.638 6.534 133 HA THR 18 HA THR 18 12.103 6.198 5.570 134 HB THR 18 HB THR 18 11.221 6.462 3.208 135 HG1 THR 18 HG1 THR 18 9.148 7.675 4.582 136 HG21 THR 18 3HG2 THR 18 10.908 4.260 4.319 137 HG22 THR 18 1HG2 THR 18 9.588 4.628 3.207 138 HG23 THR 18 2HG2 THR 18 9.348 4.802 4.946 139 HA PRO 19 HA PRO 19 14.085 10.207 5.153 140 HB2 PRO 19 2HB PRO 19 14.837 10.258 2.413 141 HB3 PRO 19 3HB PRO 19 15.775 9.557 3.744 142 HG2 PRO 19 2HG PRO 19 13.909 8.186 1.836 143 HG3 PRO 19 3HG PRO 19 15.485 7.644 2.463 144 HD2 PRO 19 2HD PRO 19 13.262 6.608 3.472 145 HD3 PRO 19 3HD PRO 19 14.589 7.053 4.569 146 H ASN 20 H ASN 20 11.659 9.491 2.676 147 HA ASN 20 HA ASN 20 10.880 12.346 2.492 148 HB2 ASN 20 2HB ASN 20 10.020 9.966 0.776 149 HB3 ASN 20 3HB ASN 20 9.531 11.643 0.521 150 HD21 ASN 20 1HD2 ASN 20 11.040 13.091 -0.415 151 HD22 ASN 20 2HD2 ASN 20 12.535 12.560 -1.096 152 HA PRO 21 HA PRO 21 7.584 11.013 5.466 153 HB2 PRO 21 2HB PRO 21 6.477 13.528 5.822 154 HB3 PRO 21 3HB PRO 21 7.940 12.973 6.662 155 HG2 PRO 21 2HG PRO 21 7.720 14.679 4.200 156 HG3 PRO 21 3HG PRO 21 8.769 14.885 5.622 157 HD2 PRO 21 2HD PRO 21 9.710 13.831 3.323 158 HD3 PRO 21 3HD PRO 21 10.287 13.267 4.908 159 H ASN 22 H ASN 22 7.310 12.340 2.332 160 HA ASN 22 HA ASN 22 4.484 12.293 1.978 161 HB2 ASN 22 2HB ASN 22 6.780 12.107 -0.023 162 HB3 ASN 22 3HB ASN 22 5.082 12.224 -0.484 163 HD21 ASN 22 1HD2 ASN 22 5.501 14.149 -1.597 164 HD22 ASN 22 2HD2 ASN 22 5.732 15.649 -0.773 165 H SER 23 H SER 23 6.879 9.846 2.154 166 HA SER 23 HA SER 23 4.923 7.766 1.349 167 HB2 SER 23 2HB SER 23 6.965 6.330 0.853 168 HB3 SER 23 3HB SER 23 6.767 7.705 -0.232 169 HG SER 23 HG SER 23 8.384 7.935 2.073 170 H LEU 24 H LEU 24 4.541 6.148 2.830 171 HA LEU 24 HA LEU 24 6.244 5.940 5.252 172 HB2 LEU 24 2HB LEU 24 4.122 7.170 5.799 173 HB3 LEU 24 3HB LEU 24 3.190 5.809 5.198 174 HG LEU 24 HG LEU 24 4.134 4.380 7.032 175 HD11 LEU 24 1HD1 LEU 24 6.248 5.521 7.421 176 HD12 LEU 24 2HD1 LEU 24 5.320 5.401 8.913 177 HD13 LEU 24 3HD1 LEU 24 5.401 6.939 8.047 178 HD21 LEU 24 3HD2 LEU 24 2.738 6.903 7.993 179 HD22 LEU 24 1HD2 LEU 24 2.810 5.360 8.855 180 HD23 LEU 24 2HD2 LEU 24 1.959 5.471 7.318 181 H LYS 25 H LYS 25 6.736 3.849 5.785 182 HA LYS 25 HA LYS 25 5.927 1.779 3.875 183 HB2 LYS 25 2HB LYS 25 8.336 2.201 4.208 184 HB3 LYS 25 3HB LYS 25 8.183 1.871 5.932 185 HG2 LYS 25 2HG LYS 25 7.687 -0.453 5.518 186 HG3 LYS 25 3HG LYS 25 7.573 -0.187 3.779 187 HD2 LYS 25 2HD LYS 25 10.112 0.169 5.428 188 HD3 LYS 25 3HD LYS 25 9.721 -1.270 4.483 189 HE2 LYS 25 2HE LYS 25 9.654 0.133 2.428 190 HE3 LYS 25 3HE LYS 25 10.133 1.531 3.393 191 HZ1 LYS 25 3HZ LYS 25 12.203 0.417 3.931 192 HZ2 LYS 25 1HZ LYS 25 12.009 0.501 2.253 193 HZ3 LYS 25 2HZ LYS 25 11.730 -0.949 3.063 194 H PHE 26 H PHE 26 4.498 0.305 4.448 195 HA PHE 26 HA PHE 26 3.701 -0.180 7.254 196 HB2 PHE 26 2HB PHE 26 2.135 -0.600 4.644 197 HB3 PHE 26 3HB PHE 26 1.526 -0.943 6.256 198 HD1 PHE 26 HD2 PHE 26 2.424 1.765 3.881 199 HD2 PHE 26 HD1 PHE 26 0.686 0.844 7.682 200 HE1 PHE 26 HE2 PHE 26 1.523 4.051 4.029 201 HE2 PHE 26 HE1 PHE 26 -0.211 3.134 7.818 202 HZ PHE 26 HZ PHE 26 0.211 4.738 5.996 203 H ILE 27 H ILE 27 4.964 -1.968 7.847 204 HA ILE 27 HA ILE 27 5.369 -4.199 6.010 205 HB ILE 27 HB ILE 27 6.239 -3.857 8.917 206 HG12 ILE 27 2HG1 ILE 27 8.617 -3.816 7.821 207 HG13 ILE 27 3HG1 ILE 27 7.776 -3.438 6.326 208 HG21 ILE 27 1HG2 ILE 27 7.646 -5.864 8.632 209 HG22 ILE 27 2HG2 ILE 27 6.986 -6.098 7.016 210 HG23 ILE 27 3HG2 ILE 27 5.932 -6.236 8.422 211 HD11 ILE 27 3HD1 ILE 27 7.704 -1.795 8.864 212 HD12 ILE 27 1HD1 ILE 27 6.893 -1.389 7.350 213 HD13 ILE 27 2HD1 ILE 27 8.655 -1.439 7.422 214 HA PRO 28 HA PRO 28 1.451 -5.776 7.812 215 HB2 PRO 28 2HB PRO 28 0.772 -7.533 5.885 216 HB3 PRO 28 3HB PRO 28 0.738 -5.783 5.575 217 HG2 PRO 28 2HG PRO 28 2.840 -7.783 4.811 218 HG3 PRO 28 3HG PRO 28 2.128 -6.475 3.840 219 HD2 PRO 28 2HD PRO 28 4.554 -6.265 5.154 220 HD3 PRO 28 3HD PRO 28 3.527 -4.875 4.732 221 H GLY 29 H GLY 29 4.415 -7.212 7.755 222 HA2 GLY 29 2HA GLY 29 5.180 -8.849 9.263 223 HA3 GLY 29 3HA GLY 29 3.566 -9.542 9.341 224 H LYS 30 H LYS 30 2.878 -10.012 6.791 225 HA LYS 30 HA LYS 30 4.548 -12.226 6.002 226 HB2 LYS 30 2HB LYS 30 1.993 -11.079 4.786 227 HB3 LYS 30 3HB LYS 30 2.816 -12.506 4.157 228 HG2 LYS 30 2HG LYS 30 2.486 -13.625 6.383 229 HG3 LYS 30 3HG LYS 30 1.557 -12.216 6.906 230 HD2 LYS 30 2HD LYS 30 0.058 -14.028 6.172 231 HD3 LYS 30 3HD LYS 30 -0.100 -12.622 5.115 232 HE2 LYS 30 2HE LYS 30 1.355 -13.722 3.447 233 HE3 LYS 30 3HE LYS 30 1.513 -15.126 4.511 234 HZ1 LYS 30 3HZ LYS 30 -0.839 -15.523 4.328 235 HZ2 LYS 30 1HZ LYS 30 -0.173 -15.434 2.780 236 HZ3 LYS 30 2HZ LYS 30 -1.058 -14.135 3.393 237 HA PRO 31 HA PRO 31 6.899 -10.016 2.761 238 HB2 PRO 31 2HB PRO 31 7.748 -12.232 1.343 239 HB3 PRO 31 3HB PRO 31 8.503 -11.698 2.859 240 HG2 PRO 31 2HG PRO 31 6.463 -13.858 2.437 241 HG3 PRO 31 3HG PRO 31 7.931 -13.871 3.443 242 HD2 PRO 31 2HD PRO 31 5.492 -13.456 4.527 243 HD3 PRO 31 3HD PRO 31 6.942 -12.638 5.152 244 H VAL 32 H VAL 32 5.239 -8.937 1.703 245 HA VAL 32 HA VAL 32 3.288 -10.185 0.061 246 HB VAL 32 HB VAL 32 2.798 -7.888 -0.840 247 HG11 VAL 32 1HG1 VAL 32 1.947 -6.969 1.291 248 HG12 VAL 32 2HG1 VAL 32 2.966 -8.092 2.195 249 HG13 VAL 32 3HG1 VAL 32 1.668 -8.706 1.169 250 HG21 VAL 32 3HG2 VAL 32 5.059 -6.928 -0.791 251 HG22 VAL 32 1HG2 VAL 32 5.073 -6.976 0.973 252 HG23 VAL 32 2HG2 VAL 32 3.942 -5.917 0.122 253 H LEU 33 H LEU 33 6.367 -8.543 -0.772 254 HA LEU 33 HA LEU 33 6.595 -10.266 -3.147 255 HB2 LEU 33 2HB LEU 33 7.019 -7.255 -3.148 256 HB3 LEU 33 3HB LEU 33 7.655 -8.306 -4.399 257 HG LEU 33 HG LEU 33 4.740 -7.686 -3.823 258 HD11 LEU 33 1HD1 LEU 33 5.948 -5.985 -5.106 259 HD12 LEU 33 2HD1 LEU 33 4.752 -6.798 -6.109 260 HD13 LEU 33 3HD1 LEU 33 6.464 -7.202 -6.280 261 HD21 LEU 33 3HD2 LEU 33 4.905 -10.074 -4.337 262 HD22 LEU 33 1HD2 LEU 33 5.823 -9.718 -5.800 263 HD23 LEU 33 2HD2 LEU 33 4.144 -9.200 -5.658 264 H GLU 34 H GLU 34 7.966 -11.396 -1.512 265 HA GLU 34 HA GLU 34 10.551 -10.329 -0.831 266 HB2 GLU 34 2HB GLU 34 11.123 -12.679 -0.238 267 HB3 GLU 34 3HB GLU 34 9.621 -12.148 0.507 268 HG2 GLU 34 2HG GLU 34 8.314 -13.419 -1.120 269 HG3 GLU 34 3HG GLU 34 9.775 -13.863 -1.995 270 H THR 35 H THR 35 9.166 -11.929 -3.563 271 HA THR 35 HA THR 35 11.588 -12.925 -4.765 272 HB THR 35 HB THR 35 10.041 -13.560 -6.653 273 HG1 THR 35 HG1 THR 35 7.866 -13.099 -6.485 274 HG21 THR 35 3HG2 THR 35 10.356 -15.148 -4.789 275 HG22 THR 35 1HG2 THR 35 8.702 -15.217 -5.397 276 HG23 THR 35 2HG2 THR 35 9.052 -14.369 -3.889 277 H ARG 36 H ARG 36 9.848 -9.921 -4.883 278 HA ARG 36 HA ARG 36 11.380 -8.808 -7.076 279 HB2 ARG 36 2HB ARG 36 9.398 -8.463 -8.570 280 HB3 ARG 36 3HB ARG 36 9.776 -10.171 -8.350 281 HG2 ARG 36 2HG ARG 36 7.978 -10.240 -6.554 282 HG3 ARG 36 3HG ARG 36 7.530 -8.605 -7.041 283 HD2 ARG 36 2HD ARG 36 7.511 -11.007 -8.894 284 HD3 ARG 36 3HD ARG 36 6.101 -10.408 -8.017 285 HE ARG 36 HE ARG 36 7.292 -8.349 -9.596 286 HH11 ARG 36 1HH1 ARG 36 5.234 -11.203 -9.829 287 HH12 ARG 36 2HH1 ARG 36 4.431 -10.652 -11.266 288 HH21 ARG 36 1HH2 ARG 36 6.212 -7.637 -11.502 289 HH22 ARG 36 2HH2 ARG 36 4.983 -8.642 -12.205 290 H THR 37 H THR 37 10.071 -6.635 -7.785 291 HA THR 37 HA THR 37 8.610 -5.394 -5.541 292 HB THR 37 HB THR 37 9.751 -3.180 -6.167 293 HG1 THR 37 HG1 THR 37 11.851 -4.714 -7.269 294 HG21 THR 37 3HG2 THR 37 11.624 -5.305 -5.057 295 HG22 THR 37 1HG2 THR 37 10.444 -4.385 -4.116 296 HG23 THR 37 2HG2 THR 37 11.805 -3.559 -4.877 297 H MET 38 H MET 38 7.071 -3.812 -6.228 298 HA MET 38 HA MET 38 6.654 -3.292 -9.081 299 HB2 MET 38 2HB MET 38 4.472 -4.474 -7.286 300 HB3 MET 38 3HB MET 38 4.141 -3.673 -8.812 301 HG2 MET 38 2HG MET 38 5.584 -5.437 -9.920 302 HG3 MET 38 3HG MET 38 5.581 -6.290 -8.378 303 HE1 MET 38 3HE MET 38 2.517 -5.510 -7.416 304 HE2 MET 38 1HE MET 38 3.189 -7.128 -7.198 305 HE3 MET 38 2HE MET 38 1.633 -6.919 -8.001 306 H ASP 39 H ASP 39 5.986 -1.234 -9.400 307 HA ASP 39 HA ASP 39 5.036 0.409 -7.122 308 HB2 ASP 39 2HB ASP 39 6.369 2.321 -7.950 309 HB3 ASP 39 3HB ASP 39 7.414 0.964 -7.534 310 H PHE 40 H PHE 40 3.430 1.807 -7.601 311 HA PHE 40 HA PHE 40 2.184 1.715 -10.288 312 HB2 PHE 40 2HB PHE 40 0.631 1.628 -7.662 313 HB3 PHE 40 3HB PHE 40 0.013 1.356 -9.290 314 HD1 PHE 40 HD2 PHE 40 0.975 -0.707 -10.566 315 HD2 PHE 40 HD1 PHE 40 1.241 -0.225 -6.336 316 HE1 PHE 40 HE2 PHE 40 1.344 -3.120 -10.309 317 HE2 PHE 40 HE1 PHE 40 1.618 -2.633 -6.088 318 HZ PHE 40 HZ PHE 40 1.667 -4.083 -8.072 319 HA PRO 41 HA PRO 41 2.495 6.169 -9.086 320 HB2 PRO 41 2HB PRO 41 2.900 7.138 -11.622 321 HB3 PRO 41 3HB PRO 41 4.208 6.438 -10.644 322 HG2 PRO 41 2HG PRO 41 2.638 5.170 -12.859 323 HG3 PRO 41 3HG PRO 41 4.384 5.097 -12.529 324 HD2 PRO 41 2HD PRO 41 2.641 3.095 -11.842 325 HD3 PRO 41 3HD PRO 41 4.152 3.416 -10.964 326 H THR 42 H THR 42 0.382 4.384 -11.212 327 HA THR 42 HA THR 42 -1.728 6.443 -10.998 328 HB THR 42 HB THR 42 -2.520 5.785 -13.275 329 HG1 THR 42 HG1 THR 42 -0.624 4.658 -14.505 330 HG21 THR 42 3HG2 THR 42 0.372 6.729 -13.309 331 HG22 THR 42 1HG2 THR 42 -1.049 7.760 -13.101 332 HG23 THR 42 2HG2 THR 42 -0.795 6.905 -14.622 333 HA PRO 43 HA PRO 43 -4.346 2.988 -9.557 334 HB2 PRO 43 2HB PRO 43 -6.608 4.245 -11.081 335 HB3 PRO 43 3HB PRO 43 -6.462 3.899 -9.342 336 HG2 PRO 43 2HG PRO 43 -6.318 6.405 -10.257 337 HG3 PRO 43 3HG PRO 43 -5.308 5.866 -8.894 338 HD2 PRO 43 2HD PRO 43 -4.540 6.233 -11.789 339 HD3 PRO 43 3HD PRO 43 -3.649 6.683 -10.314 340 H ALA 44 H ALA 44 -4.104 3.873 -12.937 341 HA ALA 44 HA ALA 44 -5.391 1.604 -14.106 342 HB1 ALA 44 3HB ALA 44 -3.254 3.429 -15.273 343 HB2 ALA 44 1HB ALA 44 -4.998 3.687 -15.371 344 HB3 ALA 44 2HB ALA 44 -4.263 2.300 -16.180 345 H ALA 45 H ALA 45 -1.957 2.449 -13.496 346 HA ALA 45 HA ALA 45 -0.709 0.102 -14.343 347 HB1 ALA 45 3HB ALA 45 0.512 2.193 -13.883 348 HB2 ALA 45 1HB ALA 45 1.229 0.840 -13.008 349 HB3 ALA 45 2HB ALA 45 0.210 2.003 -12.154 350 H ALA 46 H ALA 46 -2.461 0.732 -11.426 351 HA ALA 46 HA ALA 46 -1.455 -1.272 -9.717 352 HB1 ALA 46 3HB ALA 46 -2.692 0.698 -8.964 353 HB2 ALA 46 1HB ALA 46 -3.442 -0.785 -8.365 354 HB3 ALA 46 2HB ALA 46 -4.158 0.082 -9.728 355 H PHE 47 H PHE 47 -3.062 -1.835 -12.592 356 HA PHE 47 HA PHE 47 -4.936 -3.823 -12.138 357 HB2 PHE 47 2HB PHE 47 -4.553 -4.567 -14.442 358 HB3 PHE 47 3HB PHE 47 -4.494 -2.815 -14.363 359 HD1 PHE 47 HD2 PHE 47 -2.504 -5.870 -14.943 360 HD2 PHE 47 HD1 PHE 47 -2.385 -1.612 -14.839 361 HE1 PHE 47 HE2 PHE 47 -0.328 -5.890 -16.078 362 HE2 PHE 47 HE1 PHE 47 -0.208 -1.636 -15.978 363 HZ PHE 47 HZ PHE 47 0.823 -3.781 -16.596 364 H ARG 48 H ARG 48 -1.502 -4.045 -11.760 365 HA ARG 48 HA ARG 48 -1.082 -6.802 -12.215 366 HB2 ARG 48 2HB ARG 48 0.530 -4.897 -10.471 367 HB3 ARG 48 3HB ARG 48 1.085 -6.460 -11.068 368 HG2 ARG 48 2HG ARG 48 0.911 -5.600 -13.400 369 HG3 ARG 48 3HG ARG 48 0.421 -4.029 -12.762 370 HD2 ARG 48 2HD ARG 48 2.611 -3.923 -11.523 371 HD3 ARG 48 3HD ARG 48 3.087 -5.416 -12.341 372 HE ARG 48 HE ARG 48 2.972 -4.233 -14.455 373 HH11 ARG 48 1HH1 ARG 48 2.950 -2.167 -11.608 374 HH12 ARG 48 2HH1 ARG 48 3.520 -0.771 -12.464 375 HH21 ARG 48 1HH2 ARG 48 3.737 -2.402 -15.567 376 HH22 ARG 48 2HH2 ARG 48 3.965 -0.905 -14.709 377 H SER 49 H SER 49 -2.413 -5.137 -9.490 378 HA SER 49 HA SER 49 -2.540 -7.600 -7.908 379 HB2 SER 49 2HB SER 49 -0.540 -6.546 -7.034 380 HB3 SER 49 3HB SER 49 -1.340 -4.978 -6.934 381 HG SER 49 HG SER 49 -1.491 -7.180 -5.250 382 HA PRO 50 HA PRO 50 -6.741 -5.932 -7.251 383 HB2 PRO 50 2HB PRO 50 -6.804 -7.872 -4.957 384 HB3 PRO 50 3HB PRO 50 -7.882 -7.745 -6.364 385 HG2 PRO 50 2HG PRO 50 -6.120 -9.748 -6.159 386 HG3 PRO 50 3HG PRO 50 -6.501 -9.011 -7.733 387 HD2 PRO 50 2HD PRO 50 -4.091 -8.577 -5.975 388 HD3 PRO 50 3HD PRO 50 -4.185 -8.751 -7.747 389 H LEU 51 H LEU 51 -4.335 -6.491 -4.684 390 HA LEU 51 HA LEU 51 -5.537 -4.923 -2.638 391 HB2 LEU 51 2HB LEU 51 -3.865 -6.672 -2.138 392 HB3 LEU 51 3HB LEU 51 -2.639 -5.791 -3.032 393 HG LEU 51 HG LEU 51 -2.621 -4.005 -1.344 394 HD11 LEU 51 1HD1 LEU 51 -4.968 -4.004 -0.682 395 HD12 LEU 51 2HD1 LEU 51 -3.912 -4.112 0.723 396 HD13 LEU 51 3HD1 LEU 51 -4.758 -5.549 0.147 397 HD21 LEU 51 3HD2 LEU 51 -1.125 -5.915 -0.981 398 HD22 LEU 51 1HD2 LEU 51 -2.374 -6.748 -0.048 399 HD23 LEU 51 2HD2 LEU 51 -1.665 -5.247 0.556 400 H ALA 52 H ALA 52 -3.202 -4.260 -5.225 401 HA ALA 52 HA ALA 52 -2.310 -1.699 -4.457 402 HB1 ALA 52 3HB ALA 52 -1.240 -3.036 -6.224 403 HB2 ALA 52 1HB ALA 52 -1.656 -1.427 -6.814 404 HB3 ALA 52 2HB ALA 52 -2.653 -2.818 -7.259 405 H ARG 53 H ARG 53 -4.965 -2.653 -6.661 406 HA ARG 53 HA ARG 53 -5.964 -0.066 -7.202 407 HB2 ARG 53 2HB ARG 53 -7.312 -2.795 -7.349 408 HB3 ARG 53 3HB ARG 53 -8.115 -1.310 -7.849 409 HG2 ARG 53 2HG ARG 53 -6.213 -0.955 -9.499 410 HG3 ARG 53 3HG ARG 53 -5.661 -2.583 -9.097 411 HD2 ARG 53 2HD ARG 53 -7.745 -3.539 -9.901 412 HD3 ARG 53 3HD ARG 53 -8.439 -1.939 -10.157 413 HE ARG 53 HE ARG 53 -6.588 -3.370 -11.861 414 HH11 ARG 53 1HH1 ARG 53 -7.942 -0.184 -11.158 415 HH12 ARG 53 2HH1 ARG 53 -7.584 0.434 -12.737 416 HH21 ARG 53 1HH2 ARG 53 -6.215 -2.535 -13.946 417 HH22 ARG 53 2HH2 ARG 53 -6.615 -0.887 -14.298 418 H GLN 54 H GLN 54 -6.685 -2.340 -4.584 419 HA GLN 54 HA GLN 54 -8.953 -0.933 -3.525 420 HB2 GLN 54 2HB GLN 54 -7.130 -3.024 -2.279 421 HB3 GLN 54 3HB GLN 54 -8.565 -2.383 -1.487 422 HG2 GLN 54 2HG GLN 54 -9.980 -3.292 -3.272 423 HG3 GLN 54 3HG GLN 54 -8.550 -3.914 -4.098 424 HE21 GLN 54 1HE2 GLN 54 -7.402 -5.670 -3.142 425 HE22 GLN 54 2HE2 GLN 54 -8.150 -6.703 -1.978 426 H LEU 55 H LEU 55 -5.477 -0.775 -2.952 427 HA LEU 55 HA LEU 55 -5.603 1.052 -0.752 428 HB2 LEU 55 2HB LEU 55 -3.338 0.349 -2.655 429 HB3 LEU 55 3HB LEU 55 -3.142 1.484 -1.326 430 HG LEU 55 HG LEU 55 -3.920 -1.446 -0.992 431 HD11 LEU 55 1HD1 LEU 55 -1.625 -1.248 -1.818 432 HD12 LEU 55 2HD1 LEU 55 -1.651 -1.821 -0.153 433 HD13 LEU 55 3HD1 LEU 55 -1.224 -0.141 -0.500 434 HD21 LEU 55 3HD2 LEU 55 -4.795 -0.055 0.822 435 HD22 LEU 55 1HD2 LEU 55 -3.189 0.619 1.115 436 HD23 LEU 55 2HD2 LEU 55 -3.501 -1.095 1.404 437 H PHE 56 H PHE 56 -5.557 1.457 -4.275 438 HA PHE 56 HA PHE 56 -5.466 4.340 -4.207 439 HB2 PHE 56 2HB PHE 56 -6.122 2.325 -6.378 440 HB3 PHE 56 3HB PHE 56 -6.437 4.037 -6.644 441 HD1 PHE 56 HD1 PHE 56 -4.507 5.686 -6.433 442 HD2 PHE 56 HD2 PHE 56 -3.898 1.466 -6.681 443 HE1 PHE 56 HE1 PHE 56 -2.176 6.053 -7.109 444 HE2 PHE 56 HE2 PHE 56 -1.563 1.844 -7.351 445 HZ PHE 56 HZ PHE 56 -0.700 4.138 -7.563 446 H ARG 57 H ARG 57 -8.023 2.035 -3.674 447 HA ARG 57 HA ARG 57 -10.248 3.800 -4.089 448 HB2 ARG 57 2HB ARG 57 -9.971 1.319 -2.339 449 HB3 ARG 57 3HB ARG 57 -11.482 2.196 -2.561 450 HG2 ARG 57 2HG ARG 57 -11.484 1.680 -4.954 451 HG3 ARG 57 3HG ARG 57 -9.921 0.866 -4.803 452 HD2 ARG 57 2HD ARG 57 -11.814 -0.738 -4.870 453 HD3 ARG 57 3HD ARG 57 -10.913 -0.846 -3.353 454 HE ARG 57 HE ARG 57 -13.249 0.889 -3.318 455 HH11 ARG 57 1HH1 ARG 57 -12.073 -2.384 -2.643 456 HH12 ARG 57 2HH1 ARG 57 -13.396 -2.764 -1.589 457 HH21 ARG 57 1HH2 ARG 57 -14.984 0.347 -1.966 458 HH22 ARG 57 2HH2 ARG 57 -15.048 -1.214 -1.207 459 H ILE 58 H ILE 58 -7.804 3.751 -1.756 460 HA ILE 58 HA ILE 58 -9.255 5.131 0.377 461 HB ILE 58 HB ILE 58 -6.286 4.425 0.064 462 HG12 ILE 58 2HG1 ILE 58 -8.387 2.994 1.765 463 HG13 ILE 58 3HG1 ILE 58 -7.860 2.449 0.176 464 HG21 ILE 58 1HG2 ILE 58 -7.750 5.433 2.532 465 HG22 ILE 58 2HG2 ILE 58 -6.555 6.323 1.587 466 HG23 ILE 58 3HG2 ILE 58 -6.074 4.884 2.487 467 HD11 ILE 58 3HD1 ILE 58 -6.780 1.201 1.922 468 HD12 ILE 58 1HD1 ILE 58 -6.116 2.677 2.620 469 HD13 ILE 58 2HD1 ILE 58 -5.598 2.142 1.017 470 H GLU 59 H GLU 59 -9.432 7.331 0.332 471 HA GLU 59 HA GLU 59 -8.228 8.971 -1.642 472 HB2 GLU 59 2HB GLU 59 -9.239 10.880 -0.473 473 HB3 GLU 59 3HB GLU 59 -10.399 9.572 -0.648 474 HG2 GLU 59 2HG GLU 59 -10.211 8.975 1.677 475 HG3 GLU 59 3HG GLU 59 -8.855 10.075 1.918 476 H GLY 60 H GLY 60 -6.494 10.309 -1.547 477 HA2 GLY 60 2HA GLY 60 -4.796 11.538 -0.419 478 HA3 GLY 60 3HA GLY 60 -4.813 10.369 0.895 479 H VAL 61 H VAL 61 -4.989 8.235 -1.422 480 HA VAL 61 HA VAL 61 -2.126 7.760 -1.439 481 HB VAL 61 HB VAL 61 -4.432 6.110 -2.575 482 HG11 VAL 61 1HG1 VAL 61 -2.814 4.240 -2.757 483 HG12 VAL 61 2HG1 VAL 61 -1.497 5.326 -2.303 484 HG13 VAL 61 3HG1 VAL 61 -2.375 5.586 -3.812 485 HG21 VAL 61 3HG2 VAL 61 -4.064 4.669 -0.594 486 HG22 VAL 61 1HG2 VAL 61 -4.483 6.318 -0.123 487 HG23 VAL 61 2HG2 VAL 61 -2.809 5.767 -0.016 488 H LYS 62 H LYS 62 -0.870 8.609 -2.893 489 HA LYS 62 HA LYS 62 -1.677 9.380 -5.592 490 HB2 LYS 62 2HB LYS 62 -0.141 10.833 -4.342 491 HB3 LYS 62 3HB LYS 62 0.996 9.520 -4.121 492 HG2 LYS 62 2HG LYS 62 1.816 11.056 -5.821 493 HG3 LYS 62 3HG LYS 62 1.434 9.499 -6.561 494 HD2 LYS 62 2HD LYS 62 0.664 11.271 -8.011 495 HD3 LYS 62 3HD LYS 62 -0.739 10.443 -7.338 496 HE2 LYS 62 2HE LYS 62 -0.984 12.265 -5.674 497 HE3 LYS 62 3HE LYS 62 0.382 13.110 -6.414 498 HZ1 LYS 62 3HZ LYS 62 -0.872 13.244 -8.470 499 HZ2 LYS 62 1HZ LYS 62 -1.754 13.945 -7.214 500 HZ3 LYS 62 2HZ LYS 62 -2.163 12.410 -7.783 501 H SER 63 H SER 63 0.279 6.959 -3.950 502 HA SER 63 HA SER 63 0.583 5.332 -6.313 503 HB2 SER 63 2HB SER 63 3.016 6.676 -5.047 504 HB3 SER 63 3HB SER 63 3.103 5.338 -6.191 505 HG SER 63 HG SER 63 1.563 7.125 -7.321 506 H VAL 64 H VAL 64 1.409 3.287 -5.890 507 HA VAL 64 HA VAL 64 1.629 2.461 -3.034 508 HB VAL 64 HB VAL 64 0.184 0.951 -5.283 509 HG11 VAL 64 1HG1 VAL 64 -0.347 -0.774 -3.590 510 HG12 VAL 64 2HG1 VAL 64 0.680 0.055 -2.416 511 HG13 VAL 64 3HG1 VAL 64 1.389 -0.639 -3.877 512 HG21 VAL 64 3HG2 VAL 64 -1.171 2.780 -4.363 513 HG22 VAL 64 1HG2 VAL 64 -0.947 2.156 -2.726 514 HG23 VAL 64 2HG2 VAL 64 -1.849 1.214 -3.918 515 H PHE 65 H PHE 65 3.399 1.246 -2.622 516 HA PHE 65 HA PHE 65 4.876 -0.031 -4.855 517 HB2 PHE 65 2HB PHE 65 6.134 1.969 -4.164 518 HB3 PHE 65 3HB PHE 65 6.032 1.506 -2.470 519 HD1 PHE 65 HD2 PHE 65 7.383 0.303 -5.761 520 HD2 PHE 65 HD1 PHE 65 7.827 0.278 -1.507 521 HE1 PHE 65 HE2 PHE 65 9.511 -0.905 -5.985 522 HE2 PHE 65 HE1 PHE 65 9.954 -0.940 -1.740 523 HZ PHE 65 HZ PHE 65 10.796 -1.531 -3.978 524 H PHE 66 H PHE 66 4.668 -2.157 -4.544 525 HA PHE 66 HA PHE 66 4.745 -3.333 -1.851 526 HB2 PHE 66 2HB PHE 66 4.376 -4.644 -4.581 527 HB3 PHE 66 3HB PHE 66 4.343 -5.495 -3.042 528 HD1 PHE 66 HD2 PHE 66 2.684 -3.621 -1.404 529 HD2 PHE 66 HD1 PHE 66 2.207 -4.982 -5.423 530 HE1 PHE 66 HE2 PHE 66 0.259 -3.278 -1.239 531 HE2 PHE 66 HE1 PHE 66 -0.207 -4.639 -5.242 532 HZ PHE 66 HZ PHE 66 -1.199 -3.788 -3.159 533 H GLY 67 H GLY 67 6.589 -3.945 -1.047 534 HA2 GLY 67 2HA GLY 67 8.950 -4.502 -2.741 535 HA3 GLY 67 3HA GLY 67 9.021 -3.486 -1.302 536 HA PRO 68 HA PRO 68 9.989 -8.082 -0.228 537 HB2 PRO 68 2HB PRO 68 12.433 -6.661 0.836 538 HB3 PRO 68 3HB PRO 68 12.296 -8.245 0.038 539 HG2 PRO 68 2HG PRO 68 13.253 -6.189 -1.335 540 HG3 PRO 68 3HG PRO 68 12.112 -7.313 -2.114 541 HD2 PRO 68 2HD PRO 68 11.577 -4.568 -0.981 542 HD3 PRO 68 3HD PRO 68 10.997 -5.305 -2.494 543 H ASP 69 H ASP 69 8.538 -8.350 1.318 544 HA ASP 69 HA ASP 69 7.682 -8.664 3.367 545 HB2 ASP 69 2HB ASP 69 10.252 -7.390 4.383 546 HB3 ASP 69 3HB ASP 69 9.046 -8.148 5.418 547 H SER 70 H SER 70 7.532 -5.863 1.906 548 HA SER 70 HA SER 70 6.124 -4.451 4.053 549 HB2 SER 70 2HB SER 70 7.552 -2.389 3.714 550 HB3 SER 70 3HB SER 70 8.421 -3.744 4.434 551 HG SER 70 HG SER 70 9.067 -4.251 2.193 552 H ILE 71 H ILE 71 4.907 -2.633 3.340 553 HA ILE 71 HA ILE 71 4.481 -2.270 0.417 554 HB ILE 71 HB ILE 71 2.361 -2.175 2.646 555 HG12 ILE 71 2HG1 ILE 71 2.663 -4.234 0.406 556 HG13 ILE 71 3HG1 ILE 71 3.031 -4.507 2.103 557 HG21 ILE 71 1HG2 ILE 71 0.703 -1.834 0.839 558 HG22 ILE 71 2HG2 ILE 71 2.004 -1.756 -0.348 559 HG23 ILE 71 3HG2 ILE 71 1.879 -0.521 0.905 560 HD11 ILE 71 3HD1 ILE 71 0.300 -3.917 0.969 561 HD12 ILE 71 1HD1 ILE 71 0.681 -4.176 2.675 562 HD13 ILE 71 2HD1 ILE 71 0.909 -5.480 1.513 563 H THR 72 H THR 72 5.519 -0.254 0.115 564 HA THR 72 HA THR 72 5.167 1.846 2.134 565 HB THR 72 HB THR 72 6.850 1.920 -0.419 566 HG1 THR 72 HG1 THR 72 7.382 0.248 1.271 567 HG21 THR 72 3HG2 THR 72 6.365 4.154 0.555 568 HG22 THR 72 1HG2 THR 72 8.069 3.734 0.739 569 HG23 THR 72 2HG2 THR 72 6.978 3.612 2.121 570 H VAL 73 H VAL 73 3.489 3.223 1.864 571 HA VAL 73 HA VAL 73 2.196 3.552 -0.787 572 HB VAL 73 HB VAL 73 1.111 4.173 2.022 573 HG11 VAL 73 1HG1 VAL 73 -0.335 4.357 -0.651 574 HG12 VAL 73 2HG1 VAL 73 0.171 5.714 0.360 575 HG13 VAL 73 3HG1 VAL 73 -1.061 4.595 0.944 576 HG21 VAL 73 3HG2 VAL 73 -0.431 2.279 1.689 577 HG22 VAL 73 1HG2 VAL 73 1.252 1.751 1.633 578 HG23 VAL 73 2HG2 VAL 73 0.330 1.913 0.136 579 H THR 74 H THR 74 2.031 5.667 -1.604 580 HA THR 74 HA THR 74 3.440 7.828 -0.145 581 HB THR 74 HB THR 74 3.124 7.483 -3.171 582 HG1 THR 74 HG1 THR 74 4.628 6.017 -1.927 583 HG21 THR 74 3HG2 THR 74 4.760 9.316 -3.357 584 HG22 THR 74 1HG2 THR 74 4.818 9.472 -1.599 585 HG23 THR 74 2HG2 THR 74 3.335 9.863 -2.474 586 H LYS 75 H LYS 75 2.249 9.601 0.291 587 HA LYS 75 HA LYS 75 -0.542 9.803 -0.362 588 HB2 LYS 75 2HB LYS 75 -0.579 11.721 1.109 589 HB3 LYS 75 3HB LYS 75 0.472 10.529 1.865 590 HG2 LYS 75 2HG LYS 75 2.464 11.767 1.012 591 HG3 LYS 75 3HG LYS 75 1.384 12.967 0.296 592 HD2 LYS 75 2HD LYS 75 2.192 13.870 2.382 593 HD3 LYS 75 3HD LYS 75 0.494 13.465 2.599 594 HE2 LYS 75 2HE LYS 75 1.167 11.353 3.713 595 HE3 LYS 75 3HE LYS 75 2.860 11.818 3.541 596 HZ1 LYS 75 3HZ LYS 75 2.352 13.815 4.886 597 HZ2 LYS 75 1HZ LYS 75 2.099 12.372 5.734 598 HZ3 LYS 75 2HZ LYS 75 0.789 13.243 5.131 599 H GLU 76 H GLU 76 -1.385 11.977 -1.196 600 HA GLU 76 HA GLU 76 -0.264 12.468 -3.794 601 HB2 GLU 76 2HB GLU 76 -2.500 13.955 -2.354 602 HB3 GLU 76 3HB GLU 76 -2.123 14.064 -4.074 603 HG2 GLU 76 2HG GLU 76 -2.633 11.643 -4.328 604 HG3 GLU 76 3HG GLU 76 -3.057 11.567 -2.621 605 H ASN 77 H ASN 77 -0.739 14.519 -0.963 606 HA ASN 77 HA ASN 77 1.674 16.042 -1.478 607 HB2 ASN 77 2HB ASN 77 0.522 18.240 -1.539 608 HB3 ASN 77 3HB ASN 77 0.047 17.235 -2.900 609 HD21 ASN 77 1HD2 ASN 77 -1.332 19.515 -1.776 610 HD22 ASN 77 2HD2 ASN 77 -2.898 18.970 -1.288 611 H GLU 78 H GLU 78 1.997 17.699 0.304 612 HA GLU 78 HA GLU 78 1.914 16.270 2.778 613 HB2 GLU 78 2HB GLU 78 2.903 19.077 2.139 614 HB3 GLU 78 3HB GLU 78 3.187 18.236 3.664 615 HG2 GLU 78 2HG GLU 78 4.460 16.482 2.458 616 HG3 GLU 78 3HG GLU 78 4.181 17.335 0.938 617 H GLU 79 H GLU 79 -0.309 18.393 1.385 618 HA GLU 79 HA GLU 79 -1.611 19.612 3.538 619 HB2 GLU 79 2HB GLU 79 -2.151 19.902 1.097 620 HB3 GLU 79 3HB GLU 79 -2.874 18.300 1.083 621 HG2 GLU 79 2HG GLU 79 -4.679 19.821 1.226 622 HG3 GLU 79 3HG GLU 79 -4.508 19.161 2.851 623 H LEU 80 H LEU 80 -1.641 16.322 2.379 624 HA LEU 80 HA LEU 80 -3.750 15.361 4.153 625 HB2 LEU 80 2HB LEU 80 -2.031 14.039 2.009 626 HB3 LEU 80 3HB LEU 80 -3.325 13.222 2.870 627 HG LEU 80 HG LEU 80 -3.848 15.730 1.233 628 HD11 LEU 80 1HD1 LEU 80 -4.552 14.225 -0.618 629 HD12 LEU 80 2HD1 LEU 80 -3.816 12.877 0.253 630 HD13 LEU 80 3HD1 LEU 80 -2.820 14.218 -0.298 631 HD21 LEU 80 3HD2 LEU 80 -5.686 13.480 2.101 632 HD22 LEU 80 1HD2 LEU 80 -6.142 14.903 1.161 633 HD23 LEU 80 2HD2 LEU 80 -5.594 15.088 2.826 634 H ASP 81 H ASP 81 -3.261 14.631 6.093 635 HA ASP 81 HA ASP 81 -0.552 13.746 6.830 636 HB2 ASP 81 2HB ASP 81 -1.964 15.259 8.321 637 HB3 ASP 81 3HB ASP 81 -3.042 13.900 8.600 638 H TRP 82 H TRP 82 -0.205 11.632 7.885 639 HA TRP 82 HA TRP 82 -1.400 9.519 6.380 640 HB2 TRP 82 2HB TRP 82 0.699 9.566 8.570 641 HB3 TRP 82 3HB TRP 82 0.078 8.035 7.956 642 HD1 TRP 82 HD1 TRP 82 2.838 10.383 7.306 643 HE1 TRP 82 HE1 TRP 82 3.866 9.977 4.983 644 HE3 TRP 82 HE3 TRP 82 -0.804 7.391 5.296 645 HZ2 TRP 82 HZ2 TRP 82 3.225 8.592 2.618 646 HZ3 TRP 82 HZ3 TRP 82 -0.518 6.570 2.995 647 HH2 TRP 82 HH2 TRP 82 1.456 7.161 1.687 648 H ASN 83 H ASN 83 -2.239 10.873 9.496 649 HA ASN 83 HA ASN 83 -3.455 8.649 10.734 650 HB2 ASN 83 2HB ASN 83 -3.937 11.640 10.992 651 HB3 ASN 83 3HB ASN 83 -5.043 10.535 11.786 652 HD21 ASN 83 1HD2 ASN 83 -2.039 12.119 12.049 653 HD22 ASN 83 2HD2 ASN 83 -1.496 11.347 13.485 654 H LEU 84 H LEU 84 -4.494 10.569 8.043 655 HA LEU 84 HA LEU 84 -7.312 10.026 8.200 656 HB2 LEU 84 2HB LEU 84 -5.749 10.896 5.727 657 HB3 LEU 84 3HB LEU 84 -7.458 11.144 6.049 658 HG LEU 84 HG LEU 84 -5.125 12.548 7.406 659 HD11 LEU 84 1HD1 LEU 84 -7.273 13.654 5.568 660 HD12 LEU 84 2HD1 LEU 84 -5.582 13.362 5.149 661 HD13 LEU 84 3HD1 LEU 84 -5.987 14.581 6.352 662 HD21 LEU 84 3HD2 LEU 84 -6.839 12.189 9.086 663 HD22 LEU 84 1HD2 LEU 84 -8.080 12.859 8.022 664 HD23 LEU 84 2HD2 LEU 84 -6.787 13.891 8.639 665 H LEU 85 H LEU 85 -4.527 8.651 6.522 666 HA LEU 85 HA LEU 85 -6.105 6.844 4.872 667 HB2 LEU 85 2HB LEU 85 -3.071 7.188 5.094 668 HB3 LEU 85 3HB LEU 85 -3.908 6.181 3.928 669 HG LEU 85 HG LEU 85 -5.026 8.393 3.104 670 HD11 LEU 85 1HD1 LEU 85 -4.372 9.842 4.920 671 HD12 LEU 85 2HD1 LEU 85 -3.740 10.439 3.389 672 HD13 LEU 85 3HD1 LEU 85 -2.664 9.620 4.529 673 HD21 LEU 85 3HD2 LEU 85 -3.452 7.107 1.768 674 HD22 LEU 85 1HD2 LEU 85 -2.087 7.884 2.569 675 HD23 LEU 85 2HD2 LEU 85 -3.174 8.831 1.549 676 H LYS 86 H LYS 86 -3.845 6.611 7.646 677 HA LYS 86 HA LYS 86 -3.054 4.039 7.632 678 HB2 LYS 86 2HB LYS 86 -3.660 5.834 9.987 679 HB3 LYS 86 3HB LYS 86 -3.098 4.189 10.265 680 HG2 LYS 86 2HG LYS 86 -1.018 4.629 9.100 681 HG3 LYS 86 3HG LYS 86 -1.579 6.232 8.602 682 HD2 LYS 86 2HD LYS 86 -1.666 6.932 10.985 683 HD3 LYS 86 3HD LYS 86 -1.094 5.335 11.478 684 HE2 LYS 86 2HE LYS 86 1.037 5.702 10.362 685 HE3 LYS 86 3HE LYS 86 0.460 7.229 9.685 686 HZ1 LYS 86 3HZ LYS 86 0.258 8.104 11.948 687 HZ2 LYS 86 1HZ LYS 86 1.842 7.627 11.610 688 HZ3 LYS 86 2HZ LYS 86 0.862 6.659 12.578 689 HA PRO 87 HA PRO 87 -6.893 2.221 10.145 690 HB2 PRO 87 2HB PRO 87 -9.143 4.086 9.408 691 HB3 PRO 87 3HB PRO 87 -8.757 3.343 10.977 692 HG2 PRO 87 2HG PRO 87 -8.319 5.937 10.568 693 HG3 PRO 87 3HG PRO 87 -7.185 4.960 11.531 694 HD2 PRO 87 2HD PRO 87 -6.930 5.865 8.656 695 HD3 PRO 87 3HD PRO 87 -5.710 5.865 9.953 696 H ASP 88 H ASP 88 -7.481 3.977 7.138 697 HA ASP 88 HA ASP 88 -9.214 2.099 5.884 698 HB2 ASP 88 2HB ASP 88 -7.440 4.313 4.759 699 HB3 ASP 88 3HB ASP 88 -8.569 3.400 3.778 700 H ILE 89 H ILE 89 -5.707 2.676 5.802 701 HA ILE 89 HA ILE 89 -5.073 0.861 3.703 702 HB ILE 89 HB ILE 89 -3.299 2.164 5.831 703 HG12 ILE 89 2HG1 ILE 89 -3.731 2.770 2.862 704 HG13 ILE 89 3HG1 ILE 89 -4.307 3.736 4.212 705 HG21 ILE 89 1HG2 ILE 89 -1.330 1.481 4.493 706 HG22 ILE 89 2HG2 ILE 89 -2.374 0.542 3.423 707 HG23 ILE 89 3HG2 ILE 89 -2.203 0.077 5.116 708 HD11 ILE 89 3HD1 ILE 89 -1.428 3.330 3.414 709 HD12 ILE 89 1HD1 ILE 89 -1.988 4.262 4.807 710 HD13 ILE 89 2HD1 ILE 89 -2.410 4.775 3.176 711 H TYR 90 H TYR 90 -4.977 0.590 7.275 712 HA TYR 90 HA TYR 90 -3.948 -2.049 7.407 713 HB2 TYR 90 2HB TYR 90 -5.811 -0.721 9.424 714 HB3 TYR 90 3HB TYR 90 -4.804 -2.136 9.722 715 HD1 TYR 90 HD2 TYR 90 -2.261 -1.033 8.274 716 HD2 TYR 90 HD1 TYR 90 -4.909 0.667 11.174 717 HE1 TYR 90 HE2 TYR 90 -0.464 0.450 9.058 718 HE2 TYR 90 HE1 TYR 90 -3.108 2.148 11.943 719 HH TYR 90 HH TYR 90 -0.274 2.641 10.190 720 H ALA 91 H ALA 91 -7.284 -0.798 7.418 721 HA ALA 91 HA ALA 91 -8.705 -3.201 7.653 722 HB1 ALA 91 3HB ALA 91 -10.626 -1.959 6.745 723 HB2 ALA 91 1HB ALA 91 -9.539 -0.680 6.179 724 HB3 ALA 91 2HB ALA 91 -9.735 -0.974 7.906 725 H THR 92 H THR 92 -7.616 -1.473 4.732 726 HA THR 92 HA THR 92 -8.802 -3.116 2.773 727 HB THR 92 HB THR 92 -6.435 -1.200 2.641 728 HG1 THR 92 HG1 THR 92 -8.066 0.148 2.681 729 HG21 THR 92 3HG2 THR 92 -7.882 -2.498 0.300 730 HG22 THR 92 1HG2 THR 92 -6.197 -2.767 0.756 731 HG23 THR 92 2HG2 THR 92 -6.713 -1.183 0.186 732 H ILE 93 H ILE 93 -5.447 -3.100 4.049 733 HA ILE 93 HA ILE 93 -4.403 -5.188 2.463 734 HB ILE 93 HB ILE 93 -3.526 -4.160 5.205 735 HG12 ILE 93 2HG1 ILE 93 -2.334 -3.706 2.422 736 HG13 ILE 93 3HG1 ILE 93 -3.325 -2.549 3.301 737 HG21 ILE 93 1HG2 ILE 93 -2.008 -6.114 3.432 738 HG22 ILE 93 2HG2 ILE 93 -2.719 -6.472 5.007 739 HG23 ILE 93 3HG2 ILE 93 -1.372 -5.342 4.889 740 HD11 ILE 93 3HD1 ILE 93 -0.582 -3.521 4.100 741 HD12 ILE 93 1HD1 ILE 93 -1.584 -2.407 5.037 742 HD13 ILE 93 2HD1 ILE 93 -1.003 -1.941 3.439 743 H MET 94 H MET 94 -5.746 -5.262 5.783 744 HA MET 94 HA MET 94 -5.450 -8.030 6.231 745 HB2 MET 94 2HB MET 94 -7.427 -6.076 7.494 746 HB3 MET 94 3HB MET 94 -7.131 -7.707 8.084 747 HG2 MET 94 2HG MET 94 -4.765 -7.096 8.528 748 HG3 MET 94 3HG MET 94 -5.108 -5.453 7.991 749 HE1 MET 94 3HE MET 94 -7.017 -3.869 9.327 750 HE2 MET 94 1HE MET 94 -7.767 -4.396 10.835 751 HE3 MET 94 2HE MET 94 -8.182 -5.194 9.319 752 H ASP 95 H ASP 95 -8.176 -6.151 4.941 753 HA ASP 95 HA ASP 95 -10.096 -8.195 4.715 754 HB2 ASP 95 2HB ASP 95 -10.703 -5.823 4.608 755 HB3 ASP 95 3HB ASP 95 -9.802 -5.614 3.108 756 H PHE 96 H PHE 96 -7.647 -7.068 2.450 757 HA PHE 96 HA PHE 96 -8.251 -8.632 0.197 758 HB2 PHE 96 2HB PHE 96 -6.656 -6.811 0.034 759 HB3 PHE 96 3HB PHE 96 -5.602 -7.535 1.239 760 HD1 PHE 96 HD2 PHE 96 -6.949 -8.042 -2.216 761 HD2 PHE 96 HD1 PHE 96 -3.821 -8.968 0.552 762 HE1 PHE 96 HE2 PHE 96 -5.671 -9.132 -4.008 763 HE2 PHE 96 HE1 PHE 96 -2.556 -10.058 -1.258 764 HZ PHE 96 HZ PHE 96 -3.485 -10.136 -3.530 765 H PHE 97 H PHE 97 -6.151 -9.321 2.993 766 HA PHE 97 HA PHE 97 -5.488 -12.014 2.180 767 HB2 PHE 97 2HB PHE 97 -5.199 -10.573 4.847 768 HB3 PHE 97 3HB PHE 97 -4.690 -12.242 4.619 769 HD1 PHE 97 HD2 PHE 97 -2.874 -12.746 2.876 770 HD2 PHE 97 HD1 PHE 97 -3.736 -8.766 4.175 771 HE1 PHE 97 HE2 PHE 97 -0.697 -11.978 2.020 772 HE2 PHE 97 HE1 PHE 97 -1.559 -8.016 3.306 773 HZ PHE 97 HZ PHE 97 -0.040 -9.619 2.225 774 H ALA 98 H ALA 98 -8.112 -10.608 4.040 775 HA ALA 98 HA ALA 98 -9.200 -13.024 5.111 776 HB1 ALA 98 3HB ALA 98 -11.185 -11.678 5.653 777 HB2 ALA 98 1HB ALA 98 -10.581 -10.348 4.651 778 HB3 ALA 98 2HB ALA 98 -9.708 -10.834 6.103 779 H SER 99 H SER 99 -9.628 -11.270 2.108 780 HA SER 99 HA SER 99 -11.814 -12.830 1.085 781 HB2 SER 99 2HB SER 99 -11.344 -10.526 0.279 782 HB3 SER 99 3HB SER 99 -9.803 -11.059 -0.392 783 HG SER 99 HG SER 99 -12.100 -12.442 -1.181 784 H GLY 100 H GLY 100 -8.328 -13.097 1.141 785 HA2 GLY 100 2HA GLY 100 -6.972 -14.907 0.772 786 HA3 GLY 100 3HA GLY 100 -8.390 -15.861 0.372 787 H LEU 101 H LEU 101 -6.990 -12.933 -1.048 788 HA LEU 101 HA LEU 101 -7.091 -14.156 -3.737 789 HB2 LEU 101 2HB LEU 101 -6.822 -11.230 -2.932 790 HB3 LEU 101 3HB LEU 101 -6.884 -11.816 -4.588 791 HG LEU 101 HG LEU 101 -9.137 -11.955 -2.548 792 HD11 LEU 101 1HD1 LEU 101 -8.793 -9.698 -3.401 793 HD12 LEU 101 2HD1 LEU 101 -10.297 -10.371 -4.020 794 HD13 LEU 101 3HD1 LEU 101 -8.878 -10.281 -5.067 795 HD21 LEU 101 3HD2 LEU 101 -9.109 -12.935 -5.420 796 HD22 LEU 101 1HD2 LEU 101 -10.537 -12.831 -4.383 797 HD23 LEU 101 2HD2 LEU 101 -9.225 -13.929 -3.965 798 HA PRO 102 HA PRO 102 -2.539 -14.312 -3.835 799 HB2 PRO 102 2HB PRO 102 -2.179 -14.205 -6.594 800 HB3 PRO 102 3HB PRO 102 -2.647 -15.676 -5.717 801 HG2 PRO 102 2HG PRO 102 -4.383 -13.749 -7.213 802 HG3 PRO 102 3HG PRO 102 -4.428 -15.524 -7.205 803 HD2 PRO 102 2HD PRO 102 -6.182 -14.065 -5.761 804 HD3 PRO 102 3HD PRO 102 -5.557 -15.619 -5.160 805 H LEU 103 H LEU 103 -0.902 -12.789 -3.884 806 HA LEU 103 HA LEU 103 -1.573 -10.068 -3.736 807 HB2 LEU 103 2HB LEU 103 0.406 -11.371 -2.667 808 HB3 LEU 103 3HB LEU 103 1.263 -11.085 -4.164 809 HG LEU 103 HG LEU 103 1.892 -9.509 -2.319 810 HD11 LEU 103 1HD1 LEU 103 2.236 -8.767 -4.629 811 HD12 LEU 103 2HD1 LEU 103 1.870 -7.420 -3.557 812 HD13 LEU 103 3HD1 LEU 103 0.627 -8.041 -4.649 813 HD21 LEU 103 3HD2 LEU 103 -0.281 -9.345 -1.186 814 HD22 LEU 103 1HD2 LEU 103 -0.939 -8.430 -2.545 815 HD23 LEU 103 2HD2 LEU 103 0.361 -7.749 -1.563 816 H VAL 104 H VAL 104 0.104 -11.886 -6.348 817 HA VAL 104 HA VAL 104 -0.279 -9.559 -8.159 818 HB VAL 104 HB VAL 104 1.785 -11.787 -8.532 819 HG11 VAL 104 1HG1 VAL 104 1.495 -9.093 -9.931 820 HG12 VAL 104 2HG1 VAL 104 1.100 -10.674 -10.618 821 HG13 VAL 104 3HG1 VAL 104 2.769 -10.284 -10.212 822 HG21 VAL 104 3HG2 VAL 104 3.503 -10.151 -7.824 823 HG22 VAL 104 1HG2 VAL 104 2.387 -10.565 -6.521 824 HG23 VAL 104 2HG2 VAL 104 2.226 -9.021 -7.358 825 H THR 105 H THR 105 -1.959 -9.889 -9.453 826 HA THR 105 HA THR 105 -2.724 -12.601 -10.318 827 HB THR 105 HB THR 105 -4.851 -11.411 -11.098 828 HG1 THR 105 HG1 THR 105 -5.106 -9.309 -10.650 829 HG21 THR 105 3HG2 THR 105 -5.806 -11.248 -8.824 830 HG22 THR 105 1HG2 THR 105 -4.179 -11.217 -8.135 831 HG23 THR 105 2HG2 THR 105 -4.762 -12.664 -8.957 832 H GLU 106 H GLU 106 -1.396 -9.575 -11.554 833 HA GLU 106 HA GLU 106 -1.064 -10.750 -14.203 834 HB2 GLU 106 2HB GLU 106 -3.366 -9.619 -14.154 835 HB3 GLU 106 3HB GLU 106 -2.537 -8.081 -13.938 836 HG2 GLU 106 2HG GLU 106 -1.467 -8.299 -16.115 837 HG3 GLU 106 3HG GLU 106 -2.130 -9.920 -16.323 838 H GLU 107 H GLU 107 0.287 -9.285 -15.633 839 HA GLU 107 HA GLU 107 1.566 -6.965 -14.582 840 HB2 GLU 107 2HB GLU 107 3.928 -7.867 -14.809 841 HB3 GLU 107 3HB GLU 107 3.026 -8.441 -13.416 842 HG2 GLU 107 2HG GLU 107 2.678 -10.602 -14.418 843 HG3 GLU 107 3HG GLU 107 3.332 -10.061 -15.962 Start of MODEL 20 1 H1 MET 1 1H MET 1 4.170 -32.511 13.858 2 H2 MET 1 2H MET 1 4.468 -30.946 13.311 3 H3 MET 1 3H MET 1 2.964 -31.333 13.973 4 HA MET 1 HA MET 1 3.960 -31.752 16.102 5 HB2 MET 1 2HB MET 1 6.319 -31.292 16.528 6 HB3 MET 1 3HB MET 1 6.195 -32.446 15.213 7 HG2 MET 1 2HG MET 1 6.603 -30.573 13.601 8 HG3 MET 1 3HG MET 1 6.848 -29.499 14.977 9 HE1 MET 1 3HE MET 1 8.036 -33.261 14.218 10 HE2 MET 1 1HE MET 1 9.693 -32.919 13.723 11 HE3 MET 1 2HE MET 1 8.347 -32.335 12.748 12 H GLY 2 H GLY 2 4.562 -29.100 13.789 13 HA2 GLY 2 2HA GLY 2 3.990 -26.879 13.864 14 HA3 GLY 2 3HA GLY 2 3.166 -27.163 15.388 15 H HIS 3 H HIS 3 6.247 -26.401 13.867 16 HA HIS 3 HA HIS 3 7.849 -26.207 16.192 17 HB2 HIS 3 2HB HIS 3 8.160 -24.936 13.441 18 HB3 HIS 3 3HB HIS 3 9.381 -24.811 14.707 19 HD1 HIS 3 HD1 HIS 3 8.349 -26.938 11.955 20 HD2 HIS 3 HD2 HIS 3 10.427 -27.444 15.517 21 HE1 HIS 3 HE1 HIS 3 9.545 -29.128 11.735 22 HE2 HIS 3 HE2 HIS 3 10.675 -29.479 13.952 23 H HIS 4 H HIS 4 5.913 -23.743 14.441 24 HA HIS 4 HA HIS 4 6.619 -21.699 16.406 25 HB2 HIS 4 2HB HIS 4 5.426 -20.122 15.059 26 HB3 HIS 4 3HB HIS 4 6.372 -21.116 13.970 27 HD1 HIS 4 HD1 HIS 4 5.043 -22.598 12.282 28 HD2 HIS 4 HD2 HIS 4 2.658 -20.230 14.713 29 HE1 HIS 4 HE1 HIS 4 2.766 -22.601 11.213 30 HE2 HIS 4 HE2 HIS 4 1.323 -21.266 12.778 31 H HIS 5 H HIS 5 3.981 -23.872 15.717 32 HA HIS 5 HA HIS 5 1.906 -24.213 16.556 33 HB2 HIS 5 2HB HIS 5 1.959 -24.934 18.981 34 HB3 HIS 5 3HB HIS 5 3.199 -25.660 17.969 35 HD1 HIS 5 HD1 HIS 5 2.779 -23.114 20.740 36 HD2 HIS 5 HD2 HIS 5 5.821 -25.144 18.764 37 HE1 HIS 5 HE1 HIS 5 4.869 -22.651 22.050 38 HE2 HIS 5 HE2 HIS 5 6.628 -24.070 20.959 39 H HIS 6 H HIS 6 1.400 -21.932 15.871 40 HA HIS 6 HA HIS 6 0.078 -20.415 17.959 41 HB2 HIS 6 2HB HIS 6 2.361 -19.570 18.217 42 HB3 HIS 6 3HB HIS 6 2.517 -19.305 16.491 43 HD1 HIS 6 HD1 HIS 6 1.883 -17.024 15.651 44 HD2 HIS 6 HD2 HIS 6 0.485 -17.712 19.500 45 HE1 HIS 6 HE1 HIS 6 0.992 -14.817 16.449 46 HE2 HIS 6 HE2 HIS 6 0.370 -15.224 18.844 47 H HIS 7 H HIS 7 -1.826 -19.933 16.983 48 HA HIS 7 HA HIS 7 -2.210 -19.552 14.194 49 HB2 HIS 7 2HB HIS 7 -4.105 -20.111 15.669 50 HB3 HIS 7 3HB HIS 7 -3.867 -18.630 16.589 51 HD1 HIS 7 HD1 HIS 7 -5.143 -19.869 13.272 52 HD2 HIS 7 HD2 HIS 7 -5.087 -16.357 15.482 53 HE1 HIS 7 HE1 HIS 7 -6.690 -18.297 12.080 54 HE2 HIS 7 HE2 HIS 7 -6.467 -16.133 13.327 55 H HIS 8 H HIS 8 -1.622 -17.829 12.992 56 HA HIS 8 HA HIS 8 -0.013 -15.725 13.866 57 HB2 HIS 8 2HB HIS 8 -1.724 -15.805 11.339 58 HB3 HIS 8 3HB HIS 8 -0.382 -14.700 11.612 59 HD1 HIS 8 HD1 HIS 8 -1.171 -17.886 10.113 60 HD2 HIS 8 HD2 HIS 8 2.191 -16.167 11.851 61 HE1 HIS 8 HE1 HIS 8 0.784 -19.198 9.247 62 HE2 HIS 8 HE2 HIS 8 2.805 -18.119 10.277 63 H SER 9 H SER 9 -0.335 -13.545 14.228 64 HA SER 9 HA SER 9 -2.679 -12.583 15.429 65 HB2 SER 9 2HB SER 9 -0.409 -10.996 14.148 66 HB3 SER 9 3HB SER 9 -1.576 -10.364 15.310 67 HG SER 9 HG SER 9 -0.362 -11.125 16.833 68 H HIS 10 H HIS 10 -4.180 -10.981 14.683 69 HA HIS 10 HA HIS 10 -5.239 -11.565 12.073 70 HB2 HIS 10 2HB HIS 10 -6.162 -9.613 14.232 71 HB3 HIS 10 3HB HIS 10 -7.064 -9.957 12.761 72 HD1 HIS 10 HD1 HIS 10 -8.779 -11.743 12.986 73 HD2 HIS 10 HD2 HIS 10 -5.817 -12.098 15.881 74 HE1 HIS 10 HE1 HIS 10 -9.511 -13.621 14.483 75 HE2 HIS 10 HE2 HIS 10 -7.770 -13.721 16.295 76 H MET 11 H MET 11 -3.449 -10.858 10.815 77 HA MET 11 HA MET 11 -1.958 -9.565 9.755 78 HB2 MET 11 2HB MET 11 -4.501 -7.961 9.326 79 HB3 MET 11 3HB MET 11 -3.006 -7.664 8.445 80 HG2 MET 11 2HG MET 11 -4.660 -10.203 8.378 81 HG3 MET 11 3HG MET 11 -4.483 -9.016 7.086 82 HE1 MET 11 3HE MET 11 -0.666 -9.546 6.131 83 HE2 MET 11 1HE MET 11 -1.258 -8.412 7.344 84 HE3 MET 11 2HE MET 11 -2.111 -8.590 5.809 85 H PHE 12 H PHE 12 -0.704 -9.093 11.619 86 HA PHE 12 HA PHE 12 -0.921 -6.591 13.018 87 HB2 PHE 12 2HB PHE 12 1.234 -7.215 14.071 88 HB3 PHE 12 3HB PHE 12 0.091 -8.541 14.137 89 HD1 PHE 12 HD2 PHE 12 0.384 -10.499 12.478 90 HD2 PHE 12 HD1 PHE 12 3.412 -7.531 13.092 91 HE1 PHE 12 HE2 PHE 12 2.067 -12.003 11.497 92 HE2 PHE 12 HE1 PHE 12 5.086 -9.048 12.108 93 HZ PHE 12 HZ PHE 12 4.413 -11.279 11.308 94 H ILE 13 H ILE 13 -0.231 -4.626 12.267 95 HA ILE 13 HA ILE 13 1.578 -4.535 9.932 96 HB ILE 13 HB ILE 13 -0.851 -2.730 10.373 97 HG12 ILE 13 2HG1 ILE 13 -0.562 -4.925 8.269 98 HG13 ILE 13 3HG1 ILE 13 -1.463 -5.117 9.767 99 HG21 ILE 13 1HG2 ILE 13 -0.399 -1.903 8.083 100 HG22 ILE 13 2HG2 ILE 13 1.033 -2.930 7.987 101 HG23 ILE 13 3HG2 ILE 13 0.974 -1.605 9.153 102 HD11 ILE 13 3HD1 ILE 13 -2.959 -4.660 7.950 103 HD12 ILE 13 1HD1 ILE 13 -2.097 -3.174 7.551 104 HD13 ILE 13 2HD1 ILE 13 -2.971 -3.309 9.079 105 H GLN 14 H GLN 14 3.378 -3.444 10.471 106 HA GLN 14 HA GLN 14 3.265 -1.321 12.530 107 HB2 GLN 14 2HB GLN 14 5.661 -1.702 12.915 108 HB3 GLN 14 3HB GLN 14 4.755 -3.191 13.142 109 HG2 GLN 14 2HG GLN 14 5.497 -3.976 10.925 110 HG3 GLN 14 3HG GLN 14 6.411 -2.486 10.703 111 HE21 GLN 14 1HE2 GLN 14 8.297 -2.147 11.994 112 HE22 GLN 14 2HE2 GLN 14 9.104 -3.461 12.771 113 H THR 15 H THR 15 4.222 0.670 12.117 114 HA THR 15 HA THR 15 4.580 1.366 9.269 115 HB THR 15 HB THR 15 4.356 3.766 10.174 116 HG1 THR 15 HG1 THR 15 4.806 3.085 12.418 117 HG21 THR 15 3HG2 THR 15 1.901 3.669 10.439 118 HG22 THR 15 1HG2 THR 15 1.984 1.916 10.642 119 HG23 THR 15 2HG2 THR 15 2.431 2.650 9.100 120 H GLN 16 H GLN 16 6.588 1.542 8.572 121 HA GLN 16 HA GLN 16 8.869 1.742 10.427 122 HB2 GLN 16 2HB GLN 16 8.874 -0.203 8.927 123 HB3 GLN 16 3HB GLN 16 8.670 0.825 7.519 124 HG2 GLN 16 2HG GLN 16 10.960 0.008 7.666 125 HG3 GLN 16 3HG GLN 16 10.923 1.757 7.860 126 HE21 GLN 16 1HE2 GLN 16 11.432 -1.292 9.478 127 HE22 GLN 16 2HE2 GLN 16 12.238 -0.652 10.864 128 H ASP 17 H ASP 17 10.219 3.434 10.353 129 HA ASP 17 HA ASP 17 9.410 5.921 9.346 130 HB2 ASP 17 2HB ASP 17 10.868 5.614 11.340 131 HB3 ASP 17 3HB ASP 17 12.172 5.047 10.303 132 H THR 18 H THR 18 9.715 6.894 7.432 133 HA THR 18 HA THR 18 11.653 5.842 5.446 134 HB THR 18 HB THR 18 9.911 6.635 3.701 135 HG1 THR 18 HG1 THR 18 8.438 7.786 4.752 136 HG21 THR 18 3HG2 THR 18 9.074 4.313 5.487 137 HG22 THR 18 1HG2 THR 18 10.199 4.212 4.132 138 HG23 THR 18 2HG2 THR 18 8.501 4.598 3.841 139 HA PRO 19 HA PRO 19 13.438 9.898 5.717 140 HB2 PRO 19 2HB PRO 19 14.013 9.767 2.768 141 HB3 PRO 19 3HB PRO 19 15.136 9.953 4.134 142 HG2 PRO 19 2HG PRO 19 14.992 7.632 2.843 143 HG3 PRO 19 3HG PRO 19 15.165 7.667 4.614 144 HD2 PRO 19 2HD PRO 19 12.676 7.174 2.975 145 HD3 PRO 19 3HD PRO 19 13.260 6.326 4.428 146 H ASN 20 H ASN 20 11.172 9.415 3.035 147 HA ASN 20 HA ASN 20 10.625 12.282 2.719 148 HB2 ASN 20 2HB ASN 20 9.376 9.887 1.297 149 HB3 ASN 20 3HB ASN 20 9.161 11.577 0.848 150 HD21 ASN 20 1HD2 ASN 20 10.806 12.614 -0.321 151 HD22 ASN 20 2HD2 ASN 20 12.180 11.775 -0.952 152 HA PRO 21 HA PRO 21 7.028 12.062 5.604 153 HB2 PRO 21 2HB PRO 21 5.897 14.496 4.765 154 HB3 PRO 21 3HB PRO 21 7.148 14.332 6.011 155 HG2 PRO 21 2HG PRO 21 7.466 15.037 3.116 156 HG3 PRO 21 3HG PRO 21 8.276 15.725 4.544 157 HD2 PRO 21 2HD PRO 21 9.545 13.954 2.975 158 HD3 PRO 21 3HD PRO 21 9.767 13.927 4.738 159 H ASN 22 H ASN 22 6.814 12.711 2.098 160 HA ASN 22 HA ASN 22 4.029 12.145 1.807 161 HB2 ASN 22 2HB ASN 22 6.328 12.265 -0.178 162 HB3 ASN 22 3HB ASN 22 4.730 11.734 -0.690 163 HD21 ASN 22 1HD2 ASN 22 6.285 14.097 -1.476 164 HD22 ASN 22 2HD2 ASN 22 5.261 15.450 -1.159 165 H SER 23 H SER 23 6.872 10.141 2.003 166 HA SER 23 HA SER 23 5.428 7.722 1.152 167 HB2 SER 23 2HB SER 23 7.708 8.176 0.230 168 HB3 SER 23 3HB SER 23 8.374 8.159 1.861 169 HG SER 23 HG SER 23 7.451 6.058 0.270 170 H LEU 24 H LEU 24 4.866 6.131 2.645 171 HA LEU 24 HA LEU 24 6.445 5.843 5.100 172 HB2 LEU 24 2HB LEU 24 4.448 7.230 5.754 173 HB3 LEU 24 3HB LEU 24 3.402 5.931 5.216 174 HG LEU 24 HG LEU 24 4.387 4.441 6.986 175 HD11 LEU 24 1HD1 LEU 24 5.735 5.405 8.797 176 HD12 LEU 24 2HD1 LEU 24 5.838 6.933 7.917 177 HD13 LEU 24 3HD1 LEU 24 6.574 5.475 7.248 178 HD21 LEU 24 3HD2 LEU 24 3.168 7.020 8.025 179 HD22 LEU 24 1HD2 LEU 24 3.229 5.478 8.889 180 HD23 LEU 24 2HD2 LEU 24 2.288 5.620 7.407 181 H LYS 25 H LYS 25 6.631 3.752 5.754 182 HA LYS 25 HA LYS 25 5.758 1.711 3.813 183 HB2 LYS 25 2HB LYS 25 8.196 2.057 4.219 184 HB3 LYS 25 3HB LYS 25 7.970 1.647 5.915 185 HG2 LYS 25 2HG LYS 25 7.324 -0.631 5.303 186 HG3 LYS 25 3HG LYS 25 7.451 -0.239 3.589 187 HD2 LYS 25 2HD LYS 25 9.819 -0.006 5.480 188 HD3 LYS 25 3HD LYS 25 9.411 -1.525 4.688 189 HE2 LYS 25 2HE LYS 25 11.177 -0.379 3.454 190 HE3 LYS 25 3HE LYS 25 9.715 -0.447 2.478 191 HZ1 LYS 25 3HZ LYS 25 10.447 1.940 4.074 192 HZ2 LYS 25 1HZ LYS 25 9.323 1.836 2.820 193 HZ3 LYS 25 2HZ LYS 25 10.977 1.722 2.487 194 H PHE 26 H PHE 26 4.301 0.220 4.397 195 HA PHE 26 HA PHE 26 3.540 -0.191 7.240 196 HB2 PHE 26 2HB PHE 26 1.824 -0.481 4.715 197 HB3 PHE 26 3HB PHE 26 1.277 -0.817 6.352 198 HD1 PHE 26 HD2 PHE 26 2.349 1.919 4.042 199 HD2 PHE 26 HD1 PHE 26 0.489 0.959 7.782 200 HE1 PHE 26 HE2 PHE 26 1.608 4.255 4.282 201 HE2 PHE 26 HE1 PHE 26 -0.250 3.297 8.000 202 HZ PHE 26 HZ PHE 26 0.312 4.944 6.259 203 H ILE 27 H ILE 27 4.783 -1.990 7.747 204 HA ILE 27 HA ILE 27 5.052 -4.285 5.986 205 HB ILE 27 HB ILE 27 5.880 -3.898 8.909 206 HG12 ILE 27 2HG1 ILE 27 8.254 -4.103 7.899 207 HG13 ILE 27 3HG1 ILE 27 7.495 -3.870 6.329 208 HG21 ILE 27 1HG2 ILE 27 6.482 -6.315 7.166 209 HG22 ILE 27 2HG2 ILE 27 5.384 -6.286 8.546 210 HG23 ILE 27 3HG2 ILE 27 7.113 -6.031 8.790 211 HD11 ILE 27 3HD1 ILE 27 8.456 -1.821 7.215 212 HD12 ILE 27 1HD1 ILE 27 7.416 -1.931 8.634 213 HD13 ILE 27 2HD1 ILE 27 6.707 -1.679 7.036 214 HA PRO 28 HA PRO 28 1.101 -5.799 7.802 215 HB2 PRO 28 2HB PRO 28 0.297 -7.377 5.790 216 HB3 PRO 28 3HB PRO 28 0.344 -5.616 5.565 217 HG2 PRO 28 2HG PRO 28 2.348 -7.675 4.672 218 HG3 PRO 28 3HG PRO 28 1.648 -6.322 3.751 219 HD2 PRO 28 2HD PRO 28 4.105 -6.198 5.019 220 HD3 PRO 28 3HD PRO 28 3.103 -4.775 4.667 221 H GLY 29 H GLY 29 4.049 -7.263 7.476 222 HA2 GLY 29 2HA GLY 29 4.933 -9.048 8.676 223 HA3 GLY 29 3HA GLY 29 3.313 -9.664 8.969 224 H LYS 30 H LYS 30 2.355 -9.736 6.329 225 HA LYS 30 HA LYS 30 3.480 -12.190 5.393 226 HB2 LYS 30 2HB LYS 30 1.332 -10.376 4.222 227 HB3 LYS 30 3HB LYS 30 1.780 -11.924 3.512 228 HG2 LYS 30 2HG LYS 30 0.570 -11.481 6.258 229 HG3 LYS 30 3HG LYS 30 -0.244 -12.154 4.846 230 HD2 LYS 30 2HD LYS 30 2.081 -13.422 6.345 231 HD3 LYS 30 3HD LYS 30 0.393 -13.916 6.440 232 HE2 LYS 30 2HE LYS 30 2.109 -14.044 3.935 233 HE3 LYS 30 3HE LYS 30 1.729 -15.409 4.984 234 HZ1 LYS 30 3HZ LYS 30 0.306 -15.384 3.060 235 HZ2 LYS 30 1HZ LYS 30 -0.245 -13.827 3.420 236 HZ3 LYS 30 2HZ LYS 30 -0.612 -15.116 4.451 237 HA PRO 31 HA PRO 31 6.477 -10.413 2.467 238 HB2 PRO 31 2HB PRO 31 7.036 -12.736 1.067 239 HB3 PRO 31 3HB PRO 31 7.714 -12.376 2.668 240 HG2 PRO 31 2HG PRO 31 5.388 -14.125 1.961 241 HG3 PRO 31 3HG PRO 31 6.687 -14.405 3.143 242 HD2 PRO 31 2HD PRO 31 4.214 -13.549 3.888 243 HD3 PRO 31 3HD PRO 31 5.684 -13.072 4.764 244 H VAL 32 H VAL 32 5.002 -9.050 1.398 245 HA VAL 32 HA VAL 32 3.048 -9.982 -0.450 246 HB VAL 32 HB VAL 32 2.624 -7.653 -1.027 247 HG11 VAL 32 1HG1 VAL 32 3.161 -7.947 1.954 248 HG12 VAL 32 2HG1 VAL 32 1.705 -8.458 1.096 249 HG13 VAL 32 3HG1 VAL 32 2.099 -6.744 1.212 250 HG21 VAL 32 3HG2 VAL 32 3.950 -5.772 -0.156 251 HG22 VAL 32 1HG2 VAL 32 4.916 -6.799 -1.219 252 HG23 VAL 32 2HG2 VAL 32 5.120 -6.905 0.531 253 H LEU 33 H LEU 33 6.336 -8.696 -0.862 254 HA LEU 33 HA LEU 33 6.625 -10.281 -3.300 255 HB2 LEU 33 2HB LEU 33 7.118 -7.287 -3.194 256 HB3 LEU 33 3HB LEU 33 7.944 -8.307 -4.356 257 HG LEU 33 HG LEU 33 4.939 -7.855 -4.214 258 HD11 LEU 33 1HD1 LEU 33 5.225 -6.625 -6.295 259 HD12 LEU 33 2HD1 LEU 33 6.970 -6.893 -6.250 260 HD13 LEU 33 3HD1 LEU 33 6.193 -5.903 -5.012 261 HD21 LEU 33 3HD2 LEU 33 4.811 -9.106 -6.323 262 HD22 LEU 33 1HD2 LEU 33 5.425 -10.120 -5.018 263 HD23 LEU 33 2HD2 LEU 33 6.537 -9.474 -6.228 264 H GLU 34 H GLU 34 7.763 -11.497 -1.607 265 HA GLU 34 HA GLU 34 10.358 -10.554 -0.712 266 HB2 GLU 34 2HB GLU 34 9.055 -12.113 0.668 267 HB3 GLU 34 3HB GLU 34 9.026 -13.303 -0.622 268 HG2 GLU 34 2HG GLU 34 10.588 -13.970 1.115 269 HG3 GLU 34 3HG GLU 34 11.455 -13.631 -0.377 270 H THR 35 H THR 35 9.115 -11.766 -3.637 271 HA THR 35 HA THR 35 11.628 -12.937 -4.559 272 HB THR 35 HB THR 35 9.473 -14.023 -5.180 273 HG1 THR 35 HG1 THR 35 11.559 -13.740 -6.623 274 HG21 THR 35 3HG2 THR 35 8.013 -13.065 -6.899 275 HG22 THR 35 1HG2 THR 35 8.989 -11.600 -6.958 276 HG23 THR 35 2HG2 THR 35 8.068 -11.987 -5.502 277 H ARG 36 H ARG 36 9.974 -9.833 -4.734 278 HA ARG 36 HA ARG 36 12.104 -8.564 -6.192 279 HB2 ARG 36 2HB ARG 36 10.907 -7.991 -8.241 280 HB3 ARG 36 3HB ARG 36 10.915 -9.743 -8.057 281 HG2 ARG 36 2HG ARG 36 8.576 -9.611 -7.148 282 HG3 ARG 36 3HG ARG 36 8.585 -7.877 -7.480 283 HD2 ARG 36 2HD ARG 36 8.904 -10.076 -9.544 284 HD3 ARG 36 3HD ARG 36 7.431 -9.153 -9.238 285 HE ARG 36 HE ARG 36 9.576 -7.394 -9.859 286 HH11 ARG 36 1HH1 ARG 36 7.362 -9.673 -11.399 287 HH12 ARG 36 2HH1 ARG 36 7.443 -8.889 -12.942 288 HH21 ARG 36 1HH2 ARG 36 9.678 -6.389 -11.909 289 HH22 ARG 36 2HH2 ARG 36 8.754 -7.027 -13.232 290 H THR 37 H THR 37 10.944 -6.310 -7.150 291 HA THR 37 HA THR 37 9.002 -5.251 -5.189 292 HB THR 37 HB THR 37 10.199 -2.958 -5.658 293 HG1 THR 37 HG1 THR 37 12.423 -4.675 -6.165 294 HG21 THR 37 3HG2 THR 37 11.613 -5.028 -3.937 295 HG22 THR 37 1HG2 THR 37 10.274 -3.994 -3.432 296 HG23 THR 37 2HG2 THR 37 11.836 -3.281 -3.831 297 H MET 38 H MET 38 7.449 -3.774 -6.093 298 HA MET 38 HA MET 38 7.408 -3.341 -8.988 299 HB2 MET 38 2HB MET 38 5.242 -4.925 -7.538 300 HB3 MET 38 3HB MET 38 4.937 -4.119 -9.066 301 HG2 MET 38 2HG MET 38 6.584 -5.527 -10.182 302 HG3 MET 38 3HG MET 38 7.031 -6.270 -8.650 303 HE1 MET 38 3HE MET 38 3.449 -5.402 -10.181 304 HE2 MET 38 1HE MET 38 2.983 -6.988 -10.795 305 HE3 MET 38 2HE MET 38 4.325 -6.119 -11.534 306 H ASP 39 H ASP 39 6.744 -1.363 -9.406 307 HA ASP 39 HA ASP 39 5.441 0.264 -7.301 308 HB2 ASP 39 2HB ASP 39 6.424 2.237 -8.360 309 HB3 ASP 39 3HB ASP 39 7.691 1.052 -8.075 310 H PHE 40 H PHE 40 3.623 1.390 -7.742 311 HA PHE 40 HA PHE 40 2.360 1.264 -10.414 312 HB2 PHE 40 2HB PHE 40 0.898 0.916 -7.745 313 HB3 PHE 40 3HB PHE 40 0.159 0.900 -9.347 314 HD1 PHE 40 HD2 PHE 40 0.824 -0.947 -10.983 315 HD2 PHE 40 HD1 PHE 40 1.813 -1.106 -6.820 316 HE1 PHE 40 HE2 PHE 40 1.280 -3.353 -11.174 317 HE2 PHE 40 HE1 PHE 40 2.279 -3.512 -7.037 318 HZ PHE 40 HZ PHE 40 2.010 -4.635 -9.207 319 HA PRO 41 HA PRO 41 2.744 5.650 -9.058 320 HB2 PRO 41 2HB PRO 41 3.216 6.745 -11.506 321 HB3 PRO 41 3HB PRO 41 4.479 5.877 -10.606 322 HG2 PRO 41 2HG PRO 41 2.761 4.875 -12.858 323 HG3 PRO 41 3HG PRO 41 4.514 4.688 -12.612 324 HD2 PRO 41 2HD PRO 41 2.720 2.720 -11.970 325 HD3 PRO 41 3HD PRO 41 4.257 2.941 -11.106 326 H THR 42 H THR 42 0.589 4.140 -11.357 327 HA THR 42 HA THR 42 -1.418 6.287 -11.023 328 HB THR 42 HB THR 42 -2.177 5.732 -13.419 329 HG1 THR 42 HG1 THR 42 -0.130 4.961 -14.644 330 HG21 THR 42 3HG2 THR 42 -0.524 7.188 -14.507 331 HG22 THR 42 1HG2 THR 42 0.581 6.988 -13.144 332 HG23 THR 42 2HG2 THR 42 -0.959 7.827 -12.921 333 HA PRO 43 HA PRO 43 -4.282 3.082 -9.722 334 HB2 PRO 43 2HB PRO 43 -6.406 4.528 -11.290 335 HB3 PRO 43 3HB PRO 43 -6.341 4.146 -9.556 336 HG2 PRO 43 2HG PRO 43 -5.956 6.644 -10.380 337 HG3 PRO 43 3HG PRO 43 -4.978 5.971 -9.052 338 HD2 PRO 43 2HD PRO 43 -4.220 6.331 -11.952 339 HD3 PRO 43 3HD PRO 43 -3.276 6.689 -10.487 340 H ALA 44 H ALA 44 -4.285 3.982 -13.139 341 HA ALA 44 HA ALA 44 -5.709 1.625 -14.035 342 HB1 ALA 44 3HB ALA 44 -6.003 3.800 -15.156 343 HB2 ALA 44 1HB ALA 44 -5.426 2.563 -16.278 344 HB3 ALA 44 2HB ALA 44 -4.310 3.777 -15.648 345 H ALA 45 H ALA 45 -2.415 2.321 -13.302 346 HA ALA 45 HA ALA 45 -1.332 0.156 -14.968 347 HB1 ALA 45 3HB ALA 45 0.038 2.186 -14.685 348 HB2 ALA 45 1HB ALA 45 0.854 0.784 -13.990 349 HB3 ALA 45 2HB ALA 45 0.051 1.956 -12.936 350 H ALA 46 H ALA 46 -2.761 0.619 -11.923 351 HA ALA 46 HA ALA 46 -1.410 -1.427 -10.431 352 HB1 ALA 46 3HB ALA 46 -2.324 0.570 -9.349 353 HB2 ALA 46 1HB ALA 46 -3.043 -0.895 -8.677 354 HB3 ALA 46 2HB ALA 46 -3.956 0.095 -9.818 355 H PHE 47 H PHE 47 -3.549 -1.798 -12.942 356 HA PHE 47 HA PHE 47 -5.387 -3.746 -12.107 357 HB2 PHE 47 2HB PHE 47 -5.632 -4.368 -14.449 358 HB3 PHE 47 3HB PHE 47 -5.446 -2.625 -14.336 359 HD1 PHE 47 HD1 PHE 47 -3.012 -1.692 -14.702 360 HD2 PHE 47 HD2 PHE 47 -4.293 -5.552 -16.012 361 HE1 PHE 47 HE1 PHE 47 -1.179 -1.747 -16.334 362 HE2 PHE 47 HE2 PHE 47 -2.449 -5.598 -17.641 363 HZ PHE 47 HZ PHE 47 -0.894 -3.696 -17.802 364 H ARG 48 H ARG 48 -1.999 -4.001 -12.496 365 HA ARG 48 HA ARG 48 -1.647 -6.766 -12.931 366 HB2 ARG 48 2HB ARG 48 0.176 -4.710 -11.629 367 HB3 ARG 48 3HB ARG 48 0.687 -6.327 -12.107 368 HG2 ARG 48 2HG ARG 48 0.256 -5.817 -14.453 369 HG3 ARG 48 3HG ARG 48 -0.379 -4.225 -14.022 370 HD2 ARG 48 2HD ARG 48 1.830 -3.555 -13.169 371 HD3 ARG 48 3HD ARG 48 2.466 -5.166 -13.529 372 HE ARG 48 HE ARG 48 2.544 -4.654 -15.771 373 HH11 ARG 48 1HH1 ARG 48 0.924 -2.011 -14.090 374 HH12 ARG 48 2HH1 ARG 48 1.003 -0.949 -15.461 375 HH21 ARG 48 1HH2 ARG 48 2.599 -3.237 -17.550 376 HH22 ARG 48 2HH2 ARG 48 1.943 -1.636 -17.398 377 H SER 49 H SER 49 -2.664 -5.088 -10.112 378 HA SER 49 HA SER 49 -2.538 -7.504 -8.487 379 HB2 SER 49 2HB SER 49 -1.448 -6.195 -6.589 380 HB3 SER 49 3HB SER 49 -0.391 -6.542 -7.957 381 HG SER 49 HG SER 49 -0.073 -4.447 -7.604 382 HA PRO 50 HA PRO 50 -6.583 -5.772 -7.501 383 HB2 PRO 50 2HB PRO 50 -6.669 -7.653 -5.194 384 HB3 PRO 50 3HB PRO 50 -7.707 -7.591 -6.627 385 HG2 PRO 50 2HG PRO 50 -5.907 -9.564 -6.283 386 HG3 PRO 50 3HG PRO 50 -6.308 -8.919 -7.889 387 HD2 PRO 50 2HD PRO 50 -3.900 -8.340 -6.175 388 HD3 PRO 50 3HD PRO 50 -4.000 -8.622 -7.931 389 H LEU 51 H LEU 51 -4.149 -6.277 -4.943 390 HA LEU 51 HA LEU 51 -5.473 -4.779 -2.919 391 HB2 LEU 51 2HB LEU 51 -3.807 -6.524 -2.388 392 HB3 LEU 51 3HB LEU 51 -2.546 -5.573 -3.154 393 HG LEU 51 HG LEU 51 -2.819 -3.806 -1.399 394 HD11 LEU 51 1HD1 LEU 51 -4.145 -4.219 0.612 395 HD12 LEU 51 2HD1 LEU 51 -4.783 -5.707 -0.093 396 HD13 LEU 51 3HD1 LEU 51 -5.167 -4.146 -0.823 397 HD21 LEU 51 3HD2 LEU 51 -1.124 -5.534 -1.097 398 HD22 LEU 51 1HD2 LEU 51 -2.293 -6.569 -0.273 399 HD23 LEU 51 2HD2 LEU 51 -1.797 -5.037 0.454 400 H ALA 52 H ALA 52 -3.099 -3.969 -5.436 401 HA ALA 52 HA ALA 52 -2.310 -1.424 -4.439 402 HB1 ALA 52 3HB ALA 52 -1.042 -2.619 -6.177 403 HB2 ALA 52 1HB ALA 52 -1.460 -0.984 -6.693 404 HB3 ALA 52 2HB ALA 52 -2.360 -2.370 -7.324 405 H ARG 53 H ARG 53 -4.805 -2.381 -6.806 406 HA ARG 53 HA ARG 53 -5.941 0.165 -7.273 407 HB2 ARG 53 2HB ARG 53 -7.030 -2.656 -7.534 408 HB3 ARG 53 3HB ARG 53 -8.030 -1.258 -7.915 409 HG2 ARG 53 2HG ARG 53 -6.569 -0.597 -9.707 410 HG3 ARG 53 3HG ARG 53 -5.363 -1.800 -9.245 411 HD2 ARG 53 2HD ARG 53 -8.165 -2.569 -10.116 412 HD3 ARG 53 3HD ARG 53 -6.840 -2.357 -11.265 413 HE ARG 53 HE ARG 53 -5.707 -4.087 -9.608 414 HH11 ARG 53 1HH1 ARG 53 -9.001 -4.176 -10.881 415 HH12 ARG 53 2HH1 ARG 53 -9.103 -5.910 -10.838 416 HH21 ARG 53 1HH2 ARG 53 -5.833 -6.359 -9.624 417 HH22 ARG 53 2HH2 ARG 53 -7.297 -7.146 -10.118 418 H GLN 54 H GLN 54 -6.515 -2.241 -4.758 419 HA GLN 54 HA GLN 54 -8.864 -1.104 -3.607 420 HB2 GLN 54 2HB GLN 54 -6.785 -3.057 -2.557 421 HB3 GLN 54 3HB GLN 54 -8.165 -2.555 -1.590 422 HG2 GLN 54 2HG GLN 54 -9.719 -3.564 -3.135 423 HG3 GLN 54 3HG GLN 54 -8.434 -3.885 -4.300 424 HE21 GLN 54 1HE2 GLN 54 -8.980 -6.116 -4.298 425 HE22 GLN 54 2HE2 GLN 54 -8.551 -7.152 -2.986 426 H LEU 55 H LEU 55 -5.409 -0.656 -3.047 427 HA LEU 55 HA LEU 55 -5.700 1.271 -0.916 428 HB2 LEU 55 2HB LEU 55 -3.321 0.624 -2.702 429 HB3 LEU 55 3HB LEU 55 -3.252 1.692 -1.307 430 HG LEU 55 HG LEU 55 -3.965 -1.267 -1.158 431 HD11 LEU 55 1HD1 LEU 55 -1.734 -1.646 -0.248 432 HD12 LEU 55 2HD1 LEU 55 -1.318 0.053 -0.503 433 HD13 LEU 55 3HD1 LEU 55 -1.650 -0.996 -1.885 434 HD21 LEU 55 3HD2 LEU 55 -3.626 -1.023 1.266 435 HD22 LEU 55 1HD2 LEU 55 -4.933 0.008 0.685 436 HD23 LEU 55 2HD2 LEU 55 -3.358 0.712 1.065 437 H PHE 56 H PHE 56 -5.609 1.428 -4.438 438 HA PHE 56 HA PHE 56 -5.488 4.318 -4.569 439 HB2 PHE 56 2HB PHE 56 -5.950 2.139 -6.619 440 HB3 PHE 56 3HB PHE 56 -6.328 3.804 -7.035 441 HD1 PHE 56 HD1 PHE 56 -4.359 5.540 -6.410 442 HD2 PHE 56 HD2 PHE 56 -3.790 1.379 -7.222 443 HE1 PHE 56 HE1 PHE 56 -2.032 5.973 -7.059 444 HE2 PHE 56 HE2 PHE 56 -1.456 1.829 -7.858 445 HZ PHE 56 HZ PHE 56 -0.581 4.126 -7.779 446 H ARG 57 H ARG 57 -7.951 2.225 -3.590 447 HA ARG 57 HA ARG 57 -10.194 3.847 -4.392 448 HB2 ARG 57 2HB ARG 57 -9.944 1.890 -2.069 449 HB3 ARG 57 3HB ARG 57 -11.449 2.629 -2.613 450 HG2 ARG 57 2HG ARG 57 -11.205 1.499 -4.806 451 HG3 ARG 57 3HG ARG 57 -9.713 0.741 -4.240 452 HD2 ARG 57 2HD ARG 57 -11.543 -0.850 -4.065 453 HD3 ARG 57 3HD ARG 57 -11.016 -0.396 -2.440 454 HE ARG 57 HE ARG 57 -13.333 0.945 -3.684 455 HH11 ARG 57 1HH1 ARG 57 -12.088 -1.098 -1.078 456 HH12 ARG 57 2HH1 ARG 57 -13.548 -1.004 -0.146 457 HH21 ARG 57 1HH2 ARG 57 -15.225 1.070 -2.442 458 HH22 ARG 57 2HH2 ARG 57 -15.329 0.230 -0.930 459 H ILE 58 H ILE 58 -7.648 4.326 -2.178 460 HA ILE 58 HA ILE 58 -9.106 5.873 -0.177 461 HB ILE 58 HB ILE 58 -6.095 5.435 -0.500 462 HG12 ILE 58 2HG1 ILE 58 -8.039 3.842 1.224 463 HG13 ILE 58 3HG1 ILE 58 -7.312 3.274 -0.273 464 HG21 ILE 58 1HG2 ILE 58 -5.933 6.041 1.885 465 HG22 ILE 58 2HG2 ILE 58 -7.673 6.328 1.941 466 HG23 ILE 58 3HG2 ILE 58 -6.641 7.356 0.943 467 HD11 ILE 58 3HD1 ILE 58 -6.221 2.320 1.656 468 HD12 ILE 58 1HD1 ILE 58 -5.822 3.925 2.269 469 HD13 ILE 58 2HD1 ILE 58 -5.106 3.348 0.759 470 H GLU 59 H GLU 59 -9.244 8.082 -0.269 471 HA GLU 59 HA GLU 59 -8.461 9.430 -2.707 472 HB2 GLU 59 2HB GLU 59 -9.806 11.306 -1.857 473 HB3 GLU 59 3HB GLU 59 -10.679 9.784 -1.733 474 HG2 GLU 59 2HG GLU 59 -10.110 9.675 0.689 475 HG3 GLU 59 3HG GLU 59 -9.308 11.239 0.546 476 H GLY 60 H GLY 60 -6.524 8.712 -0.322 477 HA2 GLY 60 2HA GLY 60 -5.079 11.305 -0.271 478 HA3 GLY 60 3HA GLY 60 -4.885 10.004 0.897 479 H VAL 61 H VAL 61 -4.943 8.024 -1.460 480 HA VAL 61 HA VAL 61 -2.053 7.835 -1.544 481 HB VAL 61 HB VAL 61 -4.210 5.988 -2.675 482 HG11 VAL 61 1HG1 VAL 61 -2.109 5.658 -3.920 483 HG12 VAL 61 2HG1 VAL 61 -2.447 4.266 -2.889 484 HG13 VAL 61 3HG1 VAL 61 -1.226 5.447 -2.405 485 HG21 VAL 61 3HG2 VAL 61 -3.701 4.552 -0.726 486 HG22 VAL 61 1HG2 VAL 61 -4.273 6.145 -0.223 487 HG23 VAL 61 2HG2 VAL 61 -2.557 5.758 -0.136 488 H LYS 62 H LYS 62 -0.852 8.703 -3.099 489 HA LYS 62 HA LYS 62 -1.903 9.371 -5.747 490 HB2 LYS 62 2HB LYS 62 -0.436 10.957 -4.466 491 HB3 LYS 62 3HB LYS 62 0.883 9.807 -4.588 492 HG2 LYS 62 2HG LYS 62 1.108 11.622 -6.227 493 HG3 LYS 62 3HG LYS 62 0.911 10.061 -7.033 494 HD2 LYS 62 2HD LYS 62 -1.443 10.566 -7.508 495 HD3 LYS 62 3HD LYS 62 -1.338 12.074 -6.594 496 HE2 LYS 62 2HE LYS 62 0.261 11.470 -9.108 497 HE3 LYS 62 3HE LYS 62 -1.240 12.394 -9.069 498 HZ1 LYS 62 3HZ LYS 62 1.264 13.139 -7.655 499 HZ2 LYS 62 1HZ LYS 62 -0.169 14.030 -7.662 500 HZ3 LYS 62 2HZ LYS 62 0.707 13.826 -9.093 501 H SER 63 H SER 63 0.245 7.051 -4.183 502 HA SER 63 HA SER 63 0.389 5.395 -6.529 503 HB2 SER 63 2HB SER 63 2.915 5.422 -6.641 504 HB3 SER 63 3HB SER 63 2.154 6.929 -7.149 505 HG SER 63 HG SER 63 3.392 7.821 -5.725 506 H VAL 64 H VAL 64 0.996 3.317 -6.087 507 HA VAL 64 HA VAL 64 1.417 2.534 -3.258 508 HB VAL 64 HB VAL 64 0.194 0.946 -5.574 509 HG11 VAL 64 1HG1 VAL 64 -0.312 -0.826 -3.927 510 HG12 VAL 64 2HG1 VAL 64 0.567 0.070 -2.685 511 HG13 VAL 64 3HG1 VAL 64 1.428 -0.573 -4.087 512 HG21 VAL 64 3HG2 VAL 64 -1.917 1.065 -4.309 513 HG22 VAL 64 1HG2 VAL 64 -1.324 2.678 -4.720 514 HG23 VAL 64 2HG2 VAL 64 -1.133 2.058 -3.077 515 H PHE 65 H PHE 65 3.203 1.323 -2.780 516 HA PHE 65 HA PHE 65 4.801 0.106 -4.964 517 HB2 PHE 65 2HB PHE 65 5.916 2.186 -4.144 518 HB3 PHE 65 3HB PHE 65 5.880 1.568 -2.498 519 HD1 PHE 65 HD2 PHE 65 7.207 0.778 -5.910 520 HD2 PHE 65 HD1 PHE 65 7.746 0.324 -1.687 521 HE1 PHE 65 HE2 PHE 65 9.394 -0.276 -6.299 522 HE2 PHE 65 HE1 PHE 65 9.932 -0.731 -2.089 523 HZ PHE 65 HZ PHE 65 10.754 -1.033 -4.391 524 H PHE 66 H PHE 66 5.058 -2.041 -4.643 525 HA PHE 66 HA PHE 66 4.755 -3.189 -1.930 526 HB2 PHE 66 2HB PHE 66 4.613 -4.542 -4.660 527 HB3 PHE 66 3HB PHE 66 4.525 -5.396 -3.129 528 HD1 PHE 66 HD2 PHE 66 2.679 -3.625 -1.573 529 HD2 PHE 66 HD1 PHE 66 2.508 -4.936 -5.644 530 HE1 PHE 66 HE2 PHE 66 0.232 -3.371 -1.561 531 HE2 PHE 66 HE1 PHE 66 0.059 -4.672 -5.617 532 HZ PHE 66 HZ PHE 66 -1.079 -3.891 -3.579 533 H GLY 67 H GLY 67 6.380 -4.258 -1.013 534 HA2 GLY 67 2HA GLY 67 8.909 -4.828 -2.403 535 HA3 GLY 67 3HA GLY 67 8.922 -3.765 -0.997 536 HA PRO 68 HA PRO 68 9.462 -8.406 0.208 537 HB2 PRO 68 2HB PRO 68 11.792 -7.195 1.687 538 HB3 PRO 68 3HB PRO 68 11.693 -8.720 0.780 539 HG2 PRO 68 2HG PRO 68 12.965 -6.640 -0.278 540 HG3 PRO 68 3HG PRO 68 11.949 -7.690 -1.290 541 HD2 PRO 68 2HD PRO 68 11.318 -4.944 -0.214 542 HD3 PRO 68 3HD PRO 68 10.957 -5.652 -1.806 543 H ASP 69 H ASP 69 7.682 -8.474 1.472 544 HA ASP 69 HA ASP 69 6.383 -8.612 3.305 545 HB2 ASP 69 2HB ASP 69 8.989 -8.039 4.794 546 HB3 ASP 69 3HB ASP 69 7.487 -8.491 5.594 547 H SER 70 H SER 70 6.793 -5.950 1.942 548 HA SER 70 HA SER 70 5.642 -4.234 4.035 549 HB2 SER 70 2HB SER 70 7.276 -2.404 3.464 550 HB3 SER 70 3HB SER 70 8.022 -3.796 4.245 551 HG SER 70 HG SER 70 8.906 -4.415 2.350 552 H ILE 71 H ILE 71 4.362 -2.615 3.276 553 HA ILE 71 HA ILE 71 3.993 -2.252 0.350 554 HB ILE 71 HB ILE 71 1.869 -2.101 2.561 555 HG12 ILE 71 2HG1 ILE 71 2.104 -4.191 0.348 556 HG13 ILE 71 3HG1 ILE 71 2.635 -4.449 2.005 557 HG21 ILE 71 1HG2 ILE 71 1.560 -1.780 -0.446 558 HG22 ILE 71 2HG2 ILE 71 1.412 -0.500 0.762 559 HG23 ILE 71 3HG2 ILE 71 0.237 -1.815 0.723 560 HD11 ILE 71 3HD1 ILE 71 0.487 -5.467 1.603 561 HD12 ILE 71 1HD1 ILE 71 -0.204 -3.911 1.139 562 HD13 ILE 71 2HD1 ILE 71 0.350 -4.179 2.795 563 H THR 72 H THR 72 5.037 -0.276 0.011 564 HA THR 72 HA THR 72 4.917 1.796 2.074 565 HB THR 72 HB THR 72 6.558 1.594 -0.500 566 HG1 THR 72 HG1 THR 72 7.631 0.263 0.775 567 HG21 THR 72 3HG2 THR 72 7.840 3.509 0.358 568 HG22 THR 72 1HG2 THR 72 6.775 3.625 1.760 569 HG23 THR 72 2HG2 THR 72 6.148 3.957 0.142 570 H VAL 73 H VAL 73 3.403 3.334 1.844 571 HA VAL 73 HA VAL 73 1.985 3.714 -0.719 572 HB VAL 73 HB VAL 73 1.132 4.365 2.152 573 HG11 VAL 73 1HG1 VAL 73 -0.457 4.710 -0.414 574 HG12 VAL 73 2HG1 VAL 73 0.195 6.011 0.586 575 HG13 VAL 73 3HG1 VAL 73 -1.070 4.959 1.224 576 HG21 VAL 73 3HG2 VAL 73 -0.563 2.588 1.866 577 HG22 VAL 73 1HG2 VAL 73 1.074 1.946 1.695 578 HG23 VAL 73 2HG2 VAL 73 0.081 2.224 0.262 579 H THR 74 H THR 74 1.952 5.774 -1.599 580 HA THR 74 HA THR 74 3.290 7.979 -0.137 581 HB THR 74 HB THR 74 3.181 7.534 -3.153 582 HG1 THR 74 HG1 THR 74 4.704 6.329 -1.483 583 HG21 THR 74 3HG2 THR 74 4.773 9.425 -3.303 584 HG22 THR 74 1HG2 THR 74 4.663 9.667 -1.561 585 HG23 THR 74 2HG2 THR 74 3.249 9.951 -2.579 586 H LYS 75 H LYS 75 2.140 9.826 0.096 587 HA LYS 75 HA LYS 75 -0.685 9.895 -0.633 588 HB2 LYS 75 2HB LYS 75 -0.812 11.813 0.870 589 HB3 LYS 75 3HB LYS 75 0.138 10.555 1.658 590 HG2 LYS 75 2HG LYS 75 2.223 11.761 0.861 591 HG3 LYS 75 3HG LYS 75 1.174 13.070 0.318 592 HD2 LYS 75 2HD LYS 75 2.108 13.656 2.472 593 HD3 LYS 75 3HD LYS 75 0.380 13.366 2.670 594 HE2 LYS 75 2HE LYS 75 0.830 11.163 3.609 595 HE3 LYS 75 3HE LYS 75 2.556 11.353 3.302 596 HZ1 LYS 75 3HZ LYS 75 2.126 11.797 5.587 597 HZ2 LYS 75 1HZ LYS 75 0.911 12.908 5.224 598 HZ3 LYS 75 2HZ LYS 75 2.518 13.266 4.855 599 H GLU 76 H GLU 76 -1.535 12.132 -1.414 600 HA GLU 76 HA GLU 76 -0.369 12.693 -3.966 601 HB2 GLU 76 2HB GLU 76 -2.691 14.037 -2.526 602 HB3 GLU 76 3HB GLU 76 -2.241 14.336 -4.205 603 HG2 GLU 76 2HG GLU 76 -2.634 11.886 -4.674 604 HG3 GLU 76 3HG GLU 76 -3.245 11.729 -3.025 605 H ASN 77 H ASN 77 -0.895 14.750 -1.093 606 HA ASN 77 HA ASN 77 1.473 16.353 -1.790 607 HB2 ASN 77 2HB ASN 77 0.321 18.468 -1.280 608 HB3 ASN 77 3HB ASN 77 -0.454 17.650 -2.626 609 HD21 ASN 77 1HD2 ASN 77 -2.307 18.940 -2.299 610 HD22 ASN 77 2HD2 ASN 77 -3.422 18.625 -1.019 611 H GLU 78 H GLU 78 2.212 17.682 0.075 612 HA GLU 78 HA GLU 78 2.528 15.958 2.342 613 HB2 GLU 78 2HB GLU 78 3.559 18.815 2.097 614 HB3 GLU 78 3HB GLU 78 4.204 17.513 3.099 615 HG2 GLU 78 2HG GLU 78 4.722 16.275 0.919 616 HG3 GLU 78 3HG GLU 78 4.343 17.777 0.084 617 H GLU 79 H GLU 79 0.104 18.153 1.655 618 HA GLU 79 HA GLU 79 -0.412 19.096 4.340 619 HB2 GLU 79 2HB GLU 79 -1.114 20.362 2.305 620 HB3 GLU 79 3HB GLU 79 -2.243 19.077 1.895 621 HG2 GLU 79 2HG GLU 79 -3.388 20.990 2.929 622 HG3 GLU 79 3HG GLU 79 -3.543 19.544 3.923 623 H LEU 80 H LEU 80 -1.199 16.250 2.448 624 HA LEU 80 HA LEU 80 -3.405 15.301 4.005 625 HB2 LEU 80 2HB LEU 80 -1.445 13.878 2.171 626 HB3 LEU 80 3HB LEU 80 -2.787 13.053 2.951 627 HG LEU 80 HG LEU 80 -3.126 15.379 1.013 628 HD11 LEU 80 1HD1 LEU 80 -3.832 13.701 -0.622 629 HD12 LEU 80 2HD1 LEU 80 -3.401 12.411 0.506 630 HD13 LEU 80 3HD1 LEU 80 -2.152 13.479 -0.139 631 HD21 LEU 80 3HD2 LEU 80 -4.999 15.156 2.580 632 HD22 LEU 80 1HD2 LEU 80 -5.166 13.446 2.167 633 HD23 LEU 80 2HD2 LEU 80 -5.486 14.688 0.953 634 H ASP 81 H ASP 81 -3.322 14.608 6.007 635 HA ASP 81 HA ASP 81 -0.833 13.794 7.302 636 HB2 ASP 81 2HB ASP 81 -2.391 15.276 8.519 637 HB3 ASP 81 3HB ASP 81 -3.668 14.066 8.400 638 H TRP 82 H TRP 82 -0.333 11.725 7.997 639 HA TRP 82 HA TRP 82 -1.339 9.587 6.452 640 HB2 TRP 82 2HB TRP 82 0.652 9.735 8.724 641 HB3 TRP 82 3HB TRP 82 0.088 8.157 8.190 642 HD1 TRP 82 HD1 TRP 82 2.882 10.381 7.569 643 HE1 TRP 82 HE1 TRP 82 3.979 9.887 5.291 644 HE3 TRP 82 HE3 TRP 82 -0.809 7.493 5.475 645 HZ2 TRP 82 HZ2 TRP 82 3.358 8.472 2.935 646 HZ3 TRP 82 HZ3 TRP 82 -0.469 6.611 3.204 647 HH2 TRP 82 HH2 TRP 82 1.577 7.094 1.963 648 H ASN 83 H ASN 83 -2.179 10.644 9.722 649 HA ASN 83 HA ASN 83 -3.314 8.239 10.683 650 HB2 ASN 83 2HB ASN 83 -3.969 11.105 11.479 651 HB3 ASN 83 3HB ASN 83 -4.493 9.677 12.367 652 HD21 ASN 83 1HD2 ASN 83 -2.790 11.947 13.166 653 HD22 ASN 83 2HD2 ASN 83 -1.318 11.250 13.745 654 H LEU 84 H LEU 84 -4.492 10.480 8.342 655 HA LEU 84 HA LEU 84 -7.300 9.831 8.522 656 HB2 LEU 84 2HB LEU 84 -5.743 11.061 6.205 657 HB3 LEU 84 3HB LEU 84 -7.490 11.074 6.398 658 HG LEU 84 HG LEU 84 -5.477 12.564 8.135 659 HD11 LEU 84 1HD1 LEU 84 -6.472 14.601 7.191 660 HD12 LEU 84 2HD1 LEU 84 -7.499 13.620 6.138 661 HD13 LEU 84 3HD1 LEU 84 -5.743 13.586 5.947 662 HD21 LEU 84 3HD2 LEU 84 -7.350 11.855 9.522 663 HD22 LEU 84 1HD2 LEU 84 -8.504 12.520 8.364 664 HD23 LEU 84 2HD2 LEU 84 -7.419 13.595 9.253 665 H LEU 85 H LEU 85 -4.533 8.829 6.488 666 HA LEU 85 HA LEU 85 -6.052 7.075 4.784 667 HB2 LEU 85 2HB LEU 85 -3.041 7.400 5.127 668 HB3 LEU 85 3HB LEU 85 -3.795 6.371 3.925 669 HG LEU 85 HG LEU 85 -4.916 8.558 3.040 670 HD11 LEU 85 1HD1 LEU 85 -4.384 10.031 4.883 671 HD12 LEU 85 2HD1 LEU 85 -3.671 10.633 3.389 672 HD13 LEU 85 3HD1 LEU 85 -2.657 9.824 4.591 673 HD21 LEU 85 3HD2 LEU 85 -2.990 9.045 1.583 674 HD22 LEU 85 1HD2 LEU 85 -3.238 7.309 1.781 675 HD23 LEU 85 2HD2 LEU 85 -1.940 8.120 2.659 676 H LYS 86 H LYS 86 -3.878 6.606 7.573 677 HA LYS 86 HA LYS 86 -3.161 3.992 7.365 678 HB2 LYS 86 2HB LYS 86 -3.745 5.509 9.918 679 HB3 LYS 86 3HB LYS 86 -3.005 3.912 9.901 680 HG2 LYS 86 2HG LYS 86 -1.057 4.770 8.736 681 HG3 LYS 86 3HG LYS 86 -1.805 6.370 8.596 682 HD2 LYS 86 2HD LYS 86 -1.892 6.505 11.103 683 HD3 LYS 86 3HD LYS 86 -1.042 4.960 11.190 684 HE2 LYS 86 2HE LYS 86 0.934 5.926 10.199 685 HE3 LYS 86 3HE LYS 86 0.073 7.419 9.834 686 HZ1 LYS 86 3HZ LYS 86 0.702 6.398 12.549 687 HZ2 LYS 86 1HZ LYS 86 -0.188 7.798 12.219 688 HZ3 LYS 86 2HZ LYS 86 1.439 7.705 11.777 689 HA PRO 87 HA PRO 87 -6.918 2.339 10.030 690 HB2 PRO 87 2HB PRO 87 -9.335 3.728 9.813 691 HB3 PRO 87 3HB PRO 87 -8.186 3.934 11.151 692 HG2 PRO 87 2HG PRO 87 -8.526 5.613 8.690 693 HG3 PRO 87 3HG PRO 87 -8.277 6.125 10.376 694 HD2 PRO 87 2HD PRO 87 -6.242 6.139 8.628 695 HD3 PRO 87 3HD PRO 87 -5.984 5.676 10.323 696 H ASP 88 H ASP 88 -7.518 4.026 6.939 697 HA ASP 88 HA ASP 88 -9.210 1.952 5.869 698 HB2 ASP 88 2HB ASP 88 -9.134 4.437 5.120 699 HB3 ASP 88 3HB ASP 88 -7.720 3.989 4.172 700 H ILE 89 H ILE 89 -5.726 2.756 5.597 701 HA ILE 89 HA ILE 89 -5.012 0.860 3.615 702 HB ILE 89 HB ILE 89 -3.300 2.124 5.818 703 HG12 ILE 89 2HG1 ILE 89 -3.569 2.812 2.853 704 HG13 ILE 89 3HG1 ILE 89 -4.276 3.727 4.176 705 HG21 ILE 89 1HG2 ILE 89 -1.302 1.445 4.513 706 HG22 ILE 89 2HG2 ILE 89 -2.336 0.549 3.399 707 HG23 ILE 89 3HG2 ILE 89 -2.210 0.041 5.084 708 HD11 ILE 89 3HD1 ILE 89 -2.313 4.819 3.304 709 HD12 ILE 89 1HD1 ILE 89 -1.330 3.392 3.631 710 HD13 ILE 89 2HD1 ILE 89 -2.039 4.305 4.967 711 H TYR 90 H TYR 90 -4.880 0.729 7.156 712 HA TYR 90 HA TYR 90 -4.102 -1.897 7.579 713 HB2 TYR 90 2HB TYR 90 -5.735 0.053 9.241 714 HB3 TYR 90 3HB TYR 90 -5.470 -1.593 9.807 715 HD1 TYR 90 HD2 TYR 90 -3.258 1.077 8.265 716 HD2 TYR 90 HD1 TYR 90 -3.813 -1.704 11.456 717 HE1 TYR 90 HE2 TYR 90 -1.120 1.780 9.245 718 HE2 TYR 90 HE1 TYR 90 -1.674 -1.008 12.432 719 HH TYR 90 HH TYR 90 -0.012 1.781 11.476 720 H ALA 91 H ALA 91 -7.418 -0.524 7.324 721 HA ALA 91 HA ALA 91 -8.913 -2.848 7.691 722 HB1 ALA 91 3HB ALA 91 -9.872 -0.578 7.664 723 HB2 ALA 91 1HB ALA 91 -10.746 -1.660 6.575 724 HB3 ALA 91 2HB ALA 91 -9.602 -0.481 5.922 725 H THR 92 H THR 92 -7.888 -1.410 4.608 726 HA THR 92 HA THR 92 -8.877 -3.188 2.748 727 HB THR 92 HB THR 92 -6.358 -1.473 2.645 728 HG1 THR 92 HG1 THR 92 -7.789 0.074 2.502 729 HG21 THR 92 3HG2 THR 92 -6.283 -3.179 0.859 730 HG22 THR 92 1HG2 THR 92 -6.555 -1.563 0.191 731 HG23 THR 92 2HG2 THR 92 -7.895 -2.700 0.334 732 H ILE 93 H ILE 93 -5.634 -3.154 4.234 733 HA ILE 93 HA ILE 93 -4.547 -5.437 2.979 734 HB ILE 93 HB ILE 93 -3.840 -4.042 5.600 735 HG12 ILE 93 2HG1 ILE 93 -2.379 -4.106 2.917 736 HG13 ILE 93 3HG1 ILE 93 -3.390 -2.783 3.486 737 HG21 ILE 93 1HG2 ILE 93 -1.740 -5.338 5.697 738 HG22 ILE 93 2HG2 ILE 93 -2.275 -6.316 4.331 739 HG23 ILE 93 3HG2 ILE 93 -3.150 -6.387 5.860 740 HD11 ILE 93 3HD1 ILE 93 -0.784 -3.698 4.707 741 HD12 ILE 93 1HD1 ILE 93 -1.822 -2.423 5.359 742 HD13 ILE 93 2HD1 ILE 93 -1.072 -2.229 3.776 743 H MET 94 H MET 94 -6.201 -5.046 6.131 744 HA MET 94 HA MET 94 -5.851 -7.658 7.088 745 HB2 MET 94 2HB MET 94 -7.963 -5.573 7.749 746 HB3 MET 94 3HB MET 94 -7.888 -7.127 8.571 747 HG2 MET 94 2HG MET 94 -5.555 -6.571 9.285 748 HG3 MET 94 3HG MET 94 -5.769 -4.969 8.587 749 HE1 MET 94 3HE MET 94 -8.925 -4.407 9.397 750 HE2 MET 94 1HE MET 94 -7.651 -3.191 9.531 751 HE3 MET 94 2HE MET 94 -8.679 -3.552 10.917 752 H ASP 95 H ASP 95 -8.632 -6.238 5.361 753 HA ASP 95 HA ASP 95 -10.252 -8.504 5.155 754 HB2 ASP 95 2HB ASP 95 -9.991 -6.110 3.289 755 HB3 ASP 95 3HB ASP 95 -11.254 -7.326 3.115 756 H PHE 96 H PHE 96 -7.713 -7.336 2.965 757 HA PHE 96 HA PHE 96 -8.209 -9.020 0.756 758 HB2 PHE 96 2HB PHE 96 -6.923 -6.895 0.661 759 HB3 PHE 96 3HB PHE 96 -5.637 -7.613 1.618 760 HD1 PHE 96 HD2 PHE 96 -7.375 -7.766 -1.668 761 HD2 PHE 96 HD1 PHE 96 -3.904 -8.899 0.553 762 HE1 PHE 96 HE2 PHE 96 -6.274 -8.502 -3.729 763 HE2 PHE 96 HE1 PHE 96 -2.815 -9.618 -1.523 764 HZ PHE 96 HZ PHE 96 -3.999 -9.417 -3.667 765 H PHE 97 H PHE 97 -5.733 -9.283 3.327 766 HA PHE 97 HA PHE 97 -4.727 -11.830 2.402 767 HB2 PHE 97 2HB PHE 97 -4.126 -10.222 4.915 768 HB3 PHE 97 3HB PHE 97 -3.317 -11.733 4.514 769 HD1 PHE 97 HD1 PHE 97 -3.806 -8.218 3.380 770 HD2 PHE 97 HD2 PHE 97 -1.469 -11.754 2.956 771 HE1 PHE 97 HE1 PHE 97 -2.157 -6.955 2.083 772 HE2 PHE 97 HE2 PHE 97 0.185 -10.479 1.645 773 HZ PHE 97 HZ PHE 97 -0.162 -8.082 1.212 774 H ALA 98 H ALA 98 -7.119 -10.812 4.792 775 HA ALA 98 HA ALA 98 -7.452 -13.304 6.134 776 HB1 ALA 98 3HB ALA 98 -9.649 -12.414 6.850 777 HB2 ALA 98 1HB ALA 98 -9.477 -11.077 5.705 778 HB3 ALA 98 2HB ALA 98 -8.363 -11.225 7.064 779 H SER 99 H SER 99 -8.734 -11.961 3.137 780 HA SER 99 HA SER 99 -10.579 -14.135 2.612 781 HB2 SER 99 2HB SER 99 -9.596 -11.865 0.820 782 HB3 SER 99 3HB SER 99 -10.909 -12.979 0.433 783 HG SER 99 HG SER 99 -10.943 -11.439 2.801 784 H GLY 100 H GLY 100 -7.234 -13.491 2.117 785 HA2 GLY 100 2HA GLY 100 -5.519 -14.717 1.238 786 HA3 GLY 100 3HA GLY 100 -6.643 -16.055 1.040 787 H LEU 101 H LEU 101 -6.830 -12.811 -0.348 788 HA LEU 101 HA LEU 101 -7.232 -13.813 -3.034 789 HB2 LEU 101 2HB LEU 101 -6.870 -10.957 -2.033 790 HB3 LEU 101 3HB LEU 101 -7.418 -11.408 -3.640 791 HG LEU 101 HG LEU 101 -8.936 -11.909 -1.050 792 HD11 LEU 101 1HD1 LEU 101 -9.476 -9.895 -3.249 793 HD12 LEU 101 2HD1 LEU 101 -8.905 -9.540 -1.617 794 HD13 LEU 101 3HD1 LEU 101 -10.514 -10.214 -1.856 795 HD21 LEU 101 3HD2 LEU 101 -9.429 -13.668 -2.660 796 HD22 LEU 101 1HD2 LEU 101 -9.771 -12.472 -3.914 797 HD23 LEU 101 2HD2 LEU 101 -10.817 -12.598 -2.494 798 HA PRO 102 HA PRO 102 -2.901 -13.836 -4.304 799 HB2 PRO 102 2HB PRO 102 -3.860 -12.896 -7.004 800 HB3 PRO 102 3HB PRO 102 -2.936 -14.356 -6.580 801 HG2 PRO 102 2HG PRO 102 -5.489 -14.561 -7.244 802 HG3 PRO 102 3HG PRO 102 -4.835 -15.535 -5.906 803 HD2 PRO 102 2HD PRO 102 -6.450 -12.981 -5.760 804 HD3 PRO 102 3HD PRO 102 -6.640 -14.485 -4.826 805 H LEU 103 H LEU 103 -1.460 -12.303 -3.789 806 HA LEU 103 HA LEU 103 -1.895 -9.572 -3.520 807 HB2 LEU 103 2HB LEU 103 -0.032 -11.109 -2.543 808 HB3 LEU 103 3HB LEU 103 0.849 -10.804 -4.023 809 HG LEU 103 HG LEU 103 1.582 -9.429 -2.045 810 HD11 LEU 103 1HD1 LEU 103 0.599 -7.735 -4.348 811 HD12 LEU 103 2HD1 LEU 103 2.127 -8.612 -4.271 812 HD13 LEU 103 3HD1 LEU 103 1.826 -7.280 -3.158 813 HD21 LEU 103 3HD2 LEU 103 -1.089 -8.036 -2.326 814 HD22 LEU 103 1HD2 LEU 103 0.234 -7.563 -1.256 815 HD23 LEU 103 2HD2 LEU 103 -0.599 -9.093 -1.000 816 H VAL 104 H VAL 104 -0.362 -11.367 -6.149 817 HA VAL 104 HA VAL 104 -0.558 -9.036 -7.983 818 HB VAL 104 HB VAL 104 1.689 -11.121 -7.837 819 HG11 VAL 104 1HG1 VAL 104 1.206 -10.524 -10.181 820 HG12 VAL 104 2HG1 VAL 104 2.775 -9.899 -9.672 821 HG13 VAL 104 3HG1 VAL 104 1.388 -8.811 -9.790 822 HG21 VAL 104 3HG2 VAL 104 3.181 -9.228 -7.306 823 HG22 VAL 104 1HG2 VAL 104 1.907 -9.393 -6.095 824 HG23 VAL 104 2HG2 VAL 104 1.801 -8.126 -7.319 825 H THR 105 H THR 105 -1.913 -9.510 -9.632 826 HA THR 105 HA THR 105 -2.660 -12.272 -10.275 827 HB THR 105 HB THR 105 -4.313 -11.084 -11.857 828 HG1 THR 105 HG1 THR 105 -3.701 -9.058 -12.149 829 HG21 THR 105 3HG2 THR 105 -4.505 -10.404 -8.901 830 HG22 THR 105 1HG2 THR 105 -5.053 -11.907 -9.649 831 HG23 THR 105 2HG2 THR 105 -5.841 -10.380 -10.052 832 H GLU 106 H GLU 106 -0.992 -9.517 -11.756 833 HA GLU 106 HA GLU 106 0.380 -11.247 -13.648 834 HB2 GLU 106 2HB GLU 106 -0.255 -10.015 -15.677 835 HB3 GLU 106 3HB GLU 106 -1.696 -10.669 -14.906 836 HG2 GLU 106 2HG GLU 106 -2.175 -8.429 -13.938 837 HG3 GLU 106 3HG GLU 106 -0.758 -7.787 -14.767 838 H GLU 107 H GLU 107 1.872 -9.651 -15.090 839 HA GLU 107 HA GLU 107 2.907 -7.452 -13.441 840 HB2 GLU 107 2HB GLU 107 5.251 -8.491 -13.603 841 HB3 GLU 107 3HB GLU 107 4.136 -9.266 -12.485 842 HG2 GLU 107 2HG GLU 107 3.673 -11.020 -14.183 843 HG3 GLU 107 3HG GLU 107 4.826 -10.251 -15.270
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