NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
18006 | 2dbk | 10301 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -31.356 -17.918 15.426 2 HA2 GLY 1 1HA GLY 1 -30.654 -18.790 12.912 3 HA3 GLY 1 2HA GLY 1 -30.388 -17.053 12.880 4 H SER 2 H SER 2 -29.822 -19.603 15.307 5 HA SER 2 HA SER 2 -27.725 -18.670 16.661 6 HB2 SER 2 1HB SER 2 -26.995 -20.907 17.076 7 HB3 SER 2 2HB SER 2 -28.740 -20.988 16.833 8 HG SER 2 HG SER 2 -28.444 -22.112 15.069 9 H SER 3 H SER 3 -25.882 -17.714 16.151 10 HA SER 3 HA SER 3 -24.602 -18.381 13.587 11 HB2 SER 3 1HB SER 3 -23.636 -16.193 13.589 12 HB3 SER 3 2HB SER 3 -25.336 -15.994 14.014 13 HG SER 3 HG SER 3 -23.077 -15.506 15.502 14 H GLY 4 H GLY 4 -22.747 -19.462 13.610 15 HA2 GLY 4 1HA GLY 4 -21.059 -19.304 16.025 16 HA3 GLY 4 2HA GLY 4 -21.445 -20.857 15.299 17 H SER 5 H SER 5 -19.085 -21.064 15.197 18 HA SER 5 HA SER 5 -17.636 -19.377 13.371 19 HB2 SER 5 1HB SER 5 -16.856 -21.989 14.689 20 HB3 SER 5 2HB SER 5 -15.764 -20.946 13.779 21 HG SER 5 HG SER 5 -15.865 -19.443 15.349 22 H SER 6 H SER 6 -17.082 -19.772 11.287 23 HA SER 6 HA SER 6 -18.268 -22.166 10.044 24 HB2 SER 6 1HB SER 6 -17.871 -19.366 9.000 25 HB3 SER 6 2HB SER 6 -18.164 -20.726 7.918 26 HG SER 6 HG SER 6 -20.181 -20.273 8.328 27 H GLY 7 H GLY 7 -15.525 -19.910 9.806 28 HA2 GLY 7 1HA GLY 7 -13.379 -21.410 9.826 29 HA3 GLY 7 2HA GLY 7 -14.034 -21.918 8.276 30 HA PRO 8 HA PRO 8 -11.616 -17.747 8.156 31 HB2 PRO 8 1HB PRO 8 -9.067 -18.610 7.800 32 HB3 PRO 8 2HB PRO 8 -9.748 -18.258 9.392 33 HG2 PRO 8 1HG PRO 8 -9.401 -20.896 8.021 34 HG3 PRO 8 2HG PRO 8 -9.088 -20.465 9.712 35 HD2 PRO 8 1HD PRO 8 -11.333 -21.762 8.931 36 HD3 PRO 8 2HD PRO 8 -11.312 -20.627 10.297 37 H LEU 9 H LEU 9 -10.257 -17.015 6.264 38 HA LEU 9 HA LEU 9 -11.410 -17.643 3.858 39 HB2 LEU 9 1HB LEU 9 -8.735 -16.495 4.558 40 HB3 LEU 9 2HB LEU 9 -9.178 -16.773 2.875 41 HG LEU 9 HG LEU 9 -9.522 -14.428 3.973 42 HD11 LEU 9 1HD1 LEU 9 -10.169 -15.070 1.693 43 HD12 LEU 9 2HD1 LEU 9 -11.348 -13.994 2.442 44 HD13 LEU 9 3HD1 LEU 9 -11.684 -15.721 2.318 45 HD21 LEU 9 1HD2 LEU 9 -10.782 -15.109 5.897 46 HD22 LEU 9 2HD2 LEU 9 -11.963 -15.943 4.886 47 HD23 LEU 9 3HD2 LEU 9 -11.843 -14.184 4.833 48 HA PRO 10 HA PRO 10 -9.807 -21.492 2.482 49 HB2 PRO 10 1HB PRO 10 -9.746 -21.098 -0.204 50 HB3 PRO 10 2HB PRO 10 -11.249 -21.316 0.701 51 HG2 PRO 10 1HG PRO 10 -9.965 -18.788 -0.258 52 HG3 PRO 10 2HG PRO 10 -11.674 -19.261 -0.300 53 HD2 PRO 10 1HD PRO 10 -10.672 -17.589 1.579 54 HD3 PRO 10 2HD PRO 10 -12.013 -18.703 1.910 55 H SER 11 H SER 11 -7.899 -22.493 1.973 56 HA SER 11 HA SER 11 -5.509 -21.031 2.161 57 HB2 SER 11 1HB SER 11 -6.215 -23.864 1.545 58 HB3 SER 11 2HB SER 11 -4.576 -23.323 1.182 59 HG SER 11 HG SER 11 -5.815 -23.725 3.619 60 H THR 12 H THR 12 -5.403 -19.436 0.600 61 HA THR 12 HA THR 12 -4.986 -20.399 -2.155 62 HB THR 12 HB THR 12 -5.833 -18.240 -2.984 63 HG1 THR 12 1HG THR 12 -6.620 -17.769 -0.284 64 HG21 THR 12 1HG2 THR 12 -8.201 -18.805 -1.518 65 HG22 THR 12 2HG2 THR 12 -7.363 -20.330 -1.809 66 HG23 THR 12 3HG2 THR 12 -7.790 -19.285 -3.164 67 H GLN 13 H GLN 13 -3.729 -18.699 -3.471 68 HA GLN 13 HA GLN 13 -1.719 -17.328 -1.843 69 HB2 GLN 13 1HB GLN 13 -1.251 -19.586 -3.721 70 HB3 GLN 13 2HB GLN 13 -0.084 -18.271 -3.732 71 HG2 GLN 13 1HG GLN 13 -0.890 -19.566 -1.162 72 HG3 GLN 13 2HG GLN 13 0.321 -20.308 -2.207 73 HE21 GLN 13 1HE2 GLN 13 2.047 -18.706 -2.957 74 HE22 GLN 13 2HE2 GLN 13 2.696 -17.672 -1.735 75 H ASN 14 H ASN 14 -2.026 -15.279 -2.453 76 HA ASN 14 HA ASN 14 -2.070 -14.701 -5.341 77 HB2 ASN 14 1HB ASN 14 -3.471 -13.089 -3.199 78 HB3 ASN 14 2HB ASN 14 -3.561 -12.841 -4.940 79 HD21 ASN 14 1HD2 ASN 14 -4.571 -14.807 -2.265 80 HD22 ASN 14 2HD2 ASN 14 -5.824 -15.656 -3.099 81 H GLY 15 H GLY 15 -1.110 -12.686 -5.989 82 HA2 GLY 15 1HA GLY 15 1.202 -12.031 -4.346 83 HA3 GLY 15 2HA GLY 15 0.926 -11.527 -6.007 84 HA PRO 16 HA PRO 16 -0.374 -8.280 -2.688 85 HB2 PRO 16 1HB PRO 16 1.966 -6.970 -2.264 86 HB3 PRO 16 2HB PRO 16 1.428 -8.324 -1.263 87 HG2 PRO 16 1HG PRO 16 3.385 -8.304 -3.528 88 HG3 PRO 16 2HG PRO 16 3.492 -9.134 -1.965 89 HD2 PRO 16 1HD PRO 16 2.766 -10.405 -4.243 90 HD3 PRO 16 2HD PRO 16 2.133 -10.865 -2.649 91 H VAL 17 H VAL 17 -0.763 -6.119 -3.222 92 HA VAL 17 HA VAL 17 -0.105 -5.422 -5.988 93 HB VAL 17 HB VAL 17 -2.174 -4.332 -4.082 94 HG11 VAL 17 1HG1 VAL 17 -0.962 -3.090 -6.395 95 HG12 VAL 17 2HG1 VAL 17 -2.698 -3.316 -6.614 96 HG13 VAL 17 3HG1 VAL 17 -2.093 -2.420 -5.220 97 HG21 VAL 17 1HG2 VAL 17 -3.773 -5.360 -5.460 98 HG22 VAL 17 2HG2 VAL 17 -2.611 -5.622 -6.761 99 HG23 VAL 17 3HG2 VAL 17 -2.498 -6.564 -5.275 100 H PHE 18 H PHE 18 1.372 -3.937 -6.452 101 HA PHE 18 HA PHE 18 2.484 -2.324 -4.287 102 HB2 PHE 18 1HB PHE 18 3.440 -3.025 -7.055 103 HB3 PHE 18 2HB PHE 18 4.205 -1.750 -6.112 104 HD1 PHE 18 1HD PHE 18 5.184 -2.343 -3.861 105 HD2 PHE 18 2HD PHE 18 3.976 -5.270 -6.705 106 HE1 PHE 18 1HE PHE 18 6.574 -4.021 -2.719 107 HE2 PHE 18 2HE PHE 18 5.364 -6.954 -5.567 108 HZ PHE 18 HZ PHE 18 6.664 -6.331 -3.571 109 H ALA 19 H ALA 19 2.265 -0.170 -4.136 110 HA ALA 19 HA ALA 19 1.225 1.330 -6.425 111 HB1 ALA 19 1HB ALA 19 -0.198 2.515 -4.478 112 HB2 ALA 19 2HB ALA 19 -0.820 1.201 -5.478 113 HB3 ALA 19 3HB ALA 19 -0.175 0.858 -3.872 114 H LYS 20 H LYS 20 2.040 3.350 -6.613 115 HA LYS 20 HA LYS 20 4.007 4.169 -4.601 116 HB2 LYS 20 1HB LYS 20 4.823 3.991 -6.894 117 HB3 LYS 20 2HB LYS 20 3.577 5.104 -7.445 118 HG2 LYS 20 1HG LYS 20 4.651 6.937 -6.622 119 HG3 LYS 20 2HG LYS 20 5.431 6.033 -5.321 120 HD2 LYS 20 1HD LYS 20 7.189 6.540 -6.767 121 HD3 LYS 20 2HD LYS 20 6.760 4.884 -7.205 122 HE2 LYS 20 1HE LYS 20 5.840 5.511 -9.210 123 HE3 LYS 20 2HE LYS 20 5.428 7.127 -8.640 124 HZ1 LYS 20 1HZ LYS 20 7.338 6.868 -10.303 125 HZ2 LYS 20 2HZ LYS 20 8.245 6.323 -8.983 126 HZ3 LYS 20 3HZ LYS 20 7.579 7.878 -8.967 127 H ALA 21 H ALA 21 3.913 6.102 -3.541 128 HA ALA 21 HA ALA 21 1.338 7.382 -3.406 129 HB1 ALA 21 1HB ALA 21 2.193 7.333 -1.305 130 HB2 ALA 21 2HB ALA 21 3.861 7.492 -1.859 131 HB3 ALA 21 3HB ALA 21 2.813 8.909 -1.798 132 H ILE 22 H ILE 22 0.793 8.745 -4.991 133 HA ILE 22 HA ILE 22 2.781 10.376 -6.321 134 HB ILE 22 HB ILE 22 0.953 11.141 -7.742 135 HG12 ILE 22 1HG1 ILE 22 -0.906 9.342 -6.196 136 HG13 ILE 22 2HG1 ILE 22 -0.735 11.050 -5.806 137 HG21 ILE 22 1HG2 ILE 22 0.331 8.267 -7.639 138 HG22 ILE 22 2HG2 ILE 22 0.935 9.254 -8.970 139 HG23 ILE 22 3HG2 ILE 22 2.045 8.673 -7.729 140 HD11 ILE 22 1HD1 ILE 22 -1.710 11.730 -7.784 141 HD12 ILE 22 2HD1 ILE 22 -1.377 10.198 -8.594 142 HD13 ILE 22 3HD1 ILE 22 -2.639 10.290 -7.366 143 H GLN 23 H GLN 23 0.913 10.658 -3.560 144 HA GLN 23 HA GLN 23 1.293 13.570 -3.551 145 HB2 GLN 23 1HB GLN 23 -1.151 12.669 -3.950 146 HB3 GLN 23 2HB GLN 23 -1.114 12.408 -2.211 147 HG2 GLN 23 1HG GLN 23 -0.282 15.062 -3.248 148 HG3 GLN 23 2HG GLN 23 -1.997 14.654 -3.265 149 HE21 GLN 23 1HE2 GLN 23 -2.794 13.710 -1.145 150 HE22 GLN 23 2HE2 GLN 23 -2.254 14.498 0.295 151 H LYS 24 H LYS 24 1.225 14.492 -1.335 152 HA LYS 24 HA LYS 24 2.725 12.772 0.463 153 HB2 LYS 24 1HB LYS 24 3.482 15.085 -0.013 154 HB3 LYS 24 2HB LYS 24 2.012 15.699 0.732 155 HG2 LYS 24 1HG LYS 24 2.683 15.095 2.863 156 HG3 LYS 24 2HG LYS 24 3.845 13.906 2.268 157 HD2 LYS 24 1HD LYS 24 5.159 15.700 3.016 158 HD3 LYS 24 2HD LYS 24 5.098 15.894 1.263 159 HE2 LYS 24 1HE LYS 24 3.055 17.264 2.950 160 HE3 LYS 24 2HE LYS 24 4.684 17.935 2.864 161 HZ1 LYS 24 1HZ LYS 24 4.495 18.204 0.537 162 HZ2 LYS 24 2HZ LYS 24 3.070 18.828 1.200 163 HZ3 LYS 24 3HZ LYS 24 3.064 17.306 0.463 164 H ARG 25 H ARG 25 1.677 11.553 1.881 165 HA ARG 25 HA ARG 25 -0.826 12.582 3.045 166 HB2 ARG 25 1HB ARG 25 -1.308 10.601 1.812 167 HB3 ARG 25 2HB ARG 25 0.082 9.762 2.487 168 HG2 ARG 25 1HG ARG 25 -1.705 8.844 3.635 169 HG3 ARG 25 2HG ARG 25 -1.101 10.070 4.751 170 HD2 ARG 25 1HD ARG 25 -2.905 11.448 4.429 171 HD3 ARG 25 2HD ARG 25 -3.213 10.841 2.803 172 HE ARG 25 HE ARG 25 -3.691 8.812 4.712 173 HH11 ARG 25 2HH1 ARG 25 -5.041 11.772 3.472 174 HH12 ARG 25 1HH1 ARG 25 -6.675 11.338 3.852 175 HH21 ARG 25 2HH2 ARG 25 -5.838 8.230 5.217 176 HH22 ARG 25 1HH2 ARG 25 -7.127 9.324 4.845 177 H VAL 26 H VAL 26 -0.674 13.200 5.088 178 HA VAL 26 HA VAL 26 1.259 11.826 6.840 179 HB VAL 26 HB VAL 26 1.544 13.946 8.073 180 HG11 VAL 26 1HG1 VAL 26 2.830 15.145 6.249 181 HG12 VAL 26 2HG1 VAL 26 3.246 13.450 6.512 182 HG13 VAL 26 3HG1 VAL 26 2.230 13.908 5.145 183 HG21 VAL 26 1HG2 VAL 26 0.815 15.971 6.451 184 HG22 VAL 26 2HG2 VAL 26 -0.498 14.835 6.140 185 HG23 VAL 26 3HG2 VAL 26 -0.176 15.381 7.785 186 HA PRO 27 HA PRO 27 -2.290 10.920 9.317 187 HB2 PRO 27 1HB PRO 27 -0.967 10.103 11.542 188 HB3 PRO 27 2HB PRO 27 -1.092 9.115 10.082 189 HG2 PRO 27 1HG PRO 27 1.169 10.843 11.012 190 HG3 PRO 27 2HG PRO 27 1.221 9.218 10.306 191 HD2 PRO 27 1HD PRO 27 1.749 11.450 8.866 192 HD3 PRO 27 2HD PRO 27 0.995 10.010 8.153 193 H CYS 28 H CYS 28 -3.557 12.154 10.562 194 HA CYS 28 HA CYS 28 -2.803 14.692 11.449 195 HB2 CYS 28 1HB CYS 28 -5.168 13.578 11.056 196 HB3 CYS 28 2HB CYS 28 -5.063 13.264 12.784 197 HG CYS 28 HG CYS 28 -4.353 16.214 12.992 198 H ALA 29 H ALA 29 -2.655 15.536 13.611 199 HA ALA 29 HA ALA 29 -0.776 14.359 15.220 200 HB1 ALA 29 1HB ALA 29 -1.047 16.130 16.599 201 HB2 ALA 29 2HB ALA 29 -2.024 16.731 15.258 202 HB3 ALA 29 3HB ALA 29 -2.803 15.967 16.644 203 H TYR 30 H TYR 30 -4.203 13.754 15.131 204 HA TYR 30 HA TYR 30 -3.926 11.910 17.412 205 HB2 TYR 30 1HB TYR 30 -6.484 12.075 17.455 206 HB3 TYR 30 2HB TYR 30 -5.579 13.483 18.000 207 HD1 TYR 30 2HD TYR 30 -5.429 15.490 16.562 208 HD2 TYR 30 1HD TYR 30 -7.866 12.166 15.503 209 HE1 TYR 30 2HE TYR 30 -6.633 16.895 14.943 210 HE2 TYR 30 1HE TYR 30 -9.075 13.562 13.880 211 HH TYR 30 HH TYR 30 -8.168 16.952 13.336 212 H ASP 31 H ASP 31 -3.130 11.272 14.728 213 HA ASP 31 HA ASP 31 -5.007 9.068 14.203 214 HB2 ASP 31 1HB ASP 31 -4.992 11.068 12.514 215 HB3 ASP 31 2HB ASP 31 -3.487 10.343 11.955 216 H LYS 32 H LYS 32 -3.889 7.382 14.996 217 HA LYS 32 HA LYS 32 -1.030 7.151 14.458 218 HB2 LYS 32 1HB LYS 32 -2.943 5.680 16.252 219 HB3 LYS 32 2HB LYS 32 -1.344 5.035 15.907 220 HG2 LYS 32 1HG LYS 32 -0.896 6.175 17.821 221 HG3 LYS 32 2HG LYS 32 -0.588 7.451 16.642 222 HD2 LYS 32 1HD LYS 32 -1.932 8.522 18.197 223 HD3 LYS 32 2HD LYS 32 -3.099 8.016 16.972 224 HE2 LYS 32 1HE LYS 32 -3.409 5.917 18.399 225 HE3 LYS 32 2HE LYS 32 -2.558 6.800 19.666 226 HZ1 LYS 32 1HZ LYS 32 -5.216 7.277 18.532 227 HZ2 LYS 32 2HZ LYS 32 -4.334 8.612 19.080 228 HZ3 LYS 32 3HZ LYS 32 -4.702 7.348 20.143 229 H THR 33 H THR 33 -4.067 5.482 13.782 230 HA THR 33 HA THR 33 -2.952 3.260 12.444 231 HB THR 33 HB THR 33 -5.231 3.017 11.416 232 HG1 THR 33 1HG THR 33 -5.992 5.083 11.295 233 HG21 THR 33 1HG2 THR 33 -4.539 3.003 14.246 234 HG22 THR 33 2HG2 THR 33 -5.416 1.807 13.291 235 HG23 THR 33 3HG2 THR 33 -6.270 3.194 13.968 236 H ALA 34 H ALA 34 -3.616 6.520 11.448 237 HA ALA 34 HA ALA 34 -3.633 6.081 8.645 238 HB1 ALA 34 1HB ALA 34 -4.589 8.094 9.502 239 HB2 ALA 34 2HB ALA 34 -3.070 8.552 10.274 240 HB3 ALA 34 3HB ALA 34 -3.196 8.536 8.515 241 H LEU 35 H LEU 35 -2.002 5.554 7.357 242 HA LEU 35 HA LEU 35 0.716 5.605 8.355 243 HB2 LEU 35 1HB LEU 35 -0.524 3.808 6.869 244 HB3 LEU 35 2HB LEU 35 0.053 4.835 5.558 245 HG LEU 35 HG LEU 35 1.739 3.387 7.598 246 HD11 LEU 35 1HD1 LEU 35 0.605 2.269 5.485 247 HD12 LEU 35 2HD1 LEU 35 2.248 1.867 5.983 248 HD13 LEU 35 3HD1 LEU 35 1.981 3.008 4.665 249 HD21 LEU 35 1HD2 LEU 35 3.102 5.162 7.258 250 HD22 LEU 35 2HD2 LEU 35 2.340 5.597 5.729 251 HD23 LEU 35 3HD2 LEU 35 3.503 4.271 5.789 252 H ALA 36 H ALA 36 2.353 6.892 7.655 253 HA ALA 36 HA ALA 36 1.584 9.203 6.037 254 HB1 ALA 36 1HB ALA 36 4.253 8.974 7.340 255 HB2 ALA 36 2HB ALA 36 3.241 10.396 7.080 256 HB3 ALA 36 3HB ALA 36 2.829 9.239 8.346 257 H LEU 37 H LEU 37 2.280 9.518 4.017 258 HA LEU 37 HA LEU 37 4.596 7.995 3.052 259 HB2 LEU 37 1HB LEU 37 2.015 8.284 1.525 260 HB3 LEU 37 2HB LEU 37 3.457 7.415 1.005 261 HG LEU 37 HG LEU 37 1.983 6.582 3.478 262 HD11 LEU 37 1HD1 LEU 37 0.242 6.615 1.866 263 HD12 LEU 37 2HD1 LEU 37 0.783 4.942 2.004 264 HD13 LEU 37 3HD1 LEU 37 1.287 5.920 0.626 265 HD21 LEU 37 1HD2 LEU 37 2.872 4.337 2.437 266 HD22 LEU 37 2HD2 LEU 37 3.933 5.386 3.378 267 HD23 LEU 37 3HD2 LEU 37 3.995 5.421 1.615 268 H GLU 38 H GLU 38 5.623 8.900 1.177 269 HA GLU 38 HA GLU 38 4.978 11.745 0.752 270 HB2 GLU 38 1HB GLU 38 7.321 12.250 0.586 271 HB3 GLU 38 2HB GLU 38 7.050 11.384 2.092 272 HG2 GLU 38 1HG GLU 38 8.020 9.416 1.263 273 HG3 GLU 38 2HG GLU 38 7.953 9.988 -0.403 274 H VAL 39 H VAL 39 5.948 12.596 -1.328 275 HA VAL 39 HA VAL 39 4.944 11.110 -3.503 276 HB VAL 39 HB VAL 39 6.852 13.452 -3.576 277 HG11 VAL 39 1HG1 VAL 39 6.919 12.617 -5.725 278 HG12 VAL 39 2HG1 VAL 39 5.257 12.028 -5.662 279 HG13 VAL 39 3HG1 VAL 39 5.576 13.755 -5.827 280 HG21 VAL 39 1HG2 VAL 39 4.933 14.140 -2.370 281 HG22 VAL 39 2HG2 VAL 39 4.725 14.742 -4.015 282 HG23 VAL 39 3HG2 VAL 39 3.847 13.308 -3.484 283 H GLY 40 H GLY 40 5.825 9.259 -4.178 284 HA2 GLY 40 1HA GLY 40 7.510 8.230 -5.542 285 HA3 GLY 40 2HA GLY 40 8.709 9.256 -4.767 286 H ASP 41 H ASP 41 6.180 7.312 -3.234 287 HA ASP 41 HA ASP 41 8.296 5.650 -2.033 288 HB2 ASP 41 1HB ASP 41 7.049 7.455 -0.564 289 HB3 ASP 41 2HB ASP 41 5.784 6.230 -0.518 290 H ILE 42 H ILE 42 7.866 3.481 -1.778 291 HA ILE 42 HA ILE 42 5.568 2.487 -3.294 292 HB ILE 42 HB ILE 42 7.917 0.901 -2.259 293 HG12 ILE 42 1HG1 ILE 42 8.740 2.622 -3.768 294 HG13 ILE 42 2HG1 ILE 42 8.800 1.057 -4.570 295 HG21 ILE 42 1HG2 ILE 42 6.475 -0.745 -2.805 296 HG22 ILE 42 2HG2 ILE 42 5.522 0.295 -3.861 297 HG23 ILE 42 3HG2 ILE 42 7.033 -0.402 -4.443 298 HD11 ILE 42 1HD1 ILE 42 8.012 2.843 -6.045 299 HD12 ILE 42 2HD1 ILE 42 6.796 1.587 -5.812 300 HD13 ILE 42 3HD1 ILE 42 6.650 3.124 -4.961 301 H VAL 43 H VAL 43 3.804 1.988 -2.185 302 HA VAL 43 HA VAL 43 4.029 1.195 0.623 303 HB VAL 43 HB VAL 43 1.493 1.744 -0.915 304 HG11 VAL 43 1HG1 VAL 43 2.190 1.226 1.922 305 HG12 VAL 43 2HG1 VAL 43 0.911 2.395 1.592 306 HG13 VAL 43 3HG1 VAL 43 0.770 0.740 0.997 307 HG21 VAL 43 1HG2 VAL 43 3.434 3.607 0.367 308 HG22 VAL 43 2HG2 VAL 43 2.490 3.804 -1.110 309 HG23 VAL 43 3HG2 VAL 43 1.711 3.971 0.463 310 H LYS 44 H LYS 44 4.492 -0.934 0.741 311 HA LYS 44 HA LYS 44 3.293 -2.855 -1.042 312 HB2 LYS 44 1HB LYS 44 5.588 -3.165 -0.242 313 HB3 LYS 44 2HB LYS 44 5.010 -3.244 1.417 314 HG2 LYS 44 1HG LYS 44 3.553 -5.217 0.455 315 HG3 LYS 44 2HG LYS 44 4.837 -5.263 -0.754 316 HD2 LYS 44 1HD LYS 44 6.467 -5.791 0.816 317 HD3 LYS 44 2HD LYS 44 5.502 -5.189 2.165 318 HE2 LYS 44 1HE LYS 44 4.098 -7.073 2.140 319 HE3 LYS 44 2HE LYS 44 4.644 -7.561 0.537 320 HZ1 LYS 44 1HZ LYS 44 6.418 -8.613 1.373 321 HZ2 LYS 44 2HZ LYS 44 5.554 -8.608 2.827 322 HZ3 LYS 44 3HZ LYS 44 6.727 -7.424 2.537 323 H VAL 45 H VAL 45 1.203 -3.320 -0.781 324 HA VAL 45 HA VAL 45 0.164 -3.647 1.954 325 HB VAL 45 HB VAL 45 -1.091 -1.978 0.804 326 HG11 VAL 45 1HG1 VAL 45 -0.797 -2.091 -1.442 327 HG12 VAL 45 2HG1 VAL 45 -0.866 -3.854 -1.474 328 HG13 VAL 45 3HG1 VAL 45 -2.354 -2.913 -1.356 329 HG21 VAL 45 1HG2 VAL 45 -3.346 -3.117 0.586 330 HG22 VAL 45 2HG2 VAL 45 -2.506 -4.629 0.930 331 HG23 VAL 45 3HG2 VAL 45 -2.508 -3.331 2.123 332 H THR 46 H THR 46 -0.746 -5.536 2.588 333 HA THR 46 HA THR 46 -0.715 -7.743 0.634 334 HB THR 46 HB THR 46 -0.211 -9.278 2.390 335 HG1 THR 46 1HG THR 46 0.085 -8.305 4.591 336 HG21 THR 46 1HG2 THR 46 1.943 -8.504 3.158 337 HG22 THR 46 2HG2 THR 46 1.485 -6.826 2.866 338 HG23 THR 46 3HG2 THR 46 1.686 -7.935 1.510 339 H ARG 47 H ARG 47 -2.505 -6.181 3.216 340 HA ARG 47 HA ARG 47 -4.796 -7.944 2.652 341 HB2 ARG 47 1HB ARG 47 -3.884 -6.534 5.128 342 HB3 ARG 47 2HB ARG 47 -5.599 -6.857 4.909 343 HG2 ARG 47 1HG ARG 47 -3.685 -9.096 4.520 344 HG3 ARG 47 2HG ARG 47 -4.024 -8.548 6.164 345 HD2 ARG 47 1HD ARG 47 -6.246 -9.140 4.241 346 HD3 ARG 47 2HD ARG 47 -5.470 -10.433 5.155 347 HE ARG 47 HE ARG 47 -7.281 -8.437 6.164 348 HH11 ARG 47 2HH1 ARG 47 -4.748 -10.686 6.966 349 HH12 ARG 47 1HH1 ARG 47 -5.214 -10.820 8.629 350 HH21 ARG 47 2HH2 ARG 47 -7.905 -8.604 8.351 351 HH22 ARG 47 1HH2 ARG 47 -7.011 -9.636 9.416 352 H MET 48 H MET 48 -6.018 -6.980 1.146 353 HA MET 48 HA MET 48 -6.484 -4.089 1.333 354 HB2 MET 48 1HB MET 48 -6.746 -6.080 -0.901 355 HB3 MET 48 2HB MET 48 -7.560 -4.524 -0.984 356 HG2 MET 48 1HG MET 48 -5.485 -3.352 -0.885 357 HG3 MET 48 2HG MET 48 -4.603 -4.840 -0.548 358 HE1 MET 48 1HE MET 48 -3.988 -3.081 -4.136 359 HE2 MET 48 2HE MET 48 -5.613 -2.511 -3.758 360 HE3 MET 48 3HE MET 48 -4.354 -2.470 -2.523 361 H ASN 49 H ASN 49 -8.297 -3.411 2.248 362 HA ASN 49 HA ASN 49 -10.499 -5.272 2.650 363 HB2 ASN 49 1HB ASN 49 -10.216 -2.428 3.643 364 HB3 ASN 49 2HB ASN 49 -11.382 -3.627 4.196 365 HD21 ASN 49 1HD2 ASN 49 -8.800 -2.082 5.184 366 HD22 ASN 49 2HD2 ASN 49 -8.019 -3.290 6.141 367 H ILE 50 H ILE 50 -12.349 -5.241 1.538 368 HA ILE 50 HA ILE 50 -12.684 -3.884 -0.842 369 HB ILE 50 HB ILE 50 -14.885 -4.882 0.970 370 HG12 ILE 50 1HG1 ILE 50 -13.737 -6.358 -1.382 371 HG13 ILE 50 2HG1 ILE 50 -12.982 -6.478 0.204 372 HG21 ILE 50 1HG2 ILE 50 -15.583 -5.169 -1.729 373 HG22 ILE 50 2HG2 ILE 50 -16.280 -4.061 -0.549 374 HG23 ILE 50 3HG2 ILE 50 -14.937 -3.537 -1.564 375 HD11 ILE 50 1HD1 ILE 50 -14.482 -8.331 -0.163 376 HD12 ILE 50 2HD1 ILE 50 -15.100 -7.299 1.127 377 HD13 ILE 50 3HD1 ILE 50 -15.815 -7.221 -0.483 378 H ASN 51 H ASN 51 -13.690 -2.947 2.404 379 HA ASN 51 HA ASN 51 -15.409 -0.886 1.964 380 HB2 ASN 51 1HB ASN 51 -14.922 -0.143 4.096 381 HB3 ASN 51 2HB ASN 51 -14.275 -1.779 4.166 382 HD21 ASN 51 1HD2 ASN 51 -13.646 1.378 4.832 383 HD22 ASN 51 2HD2 ASN 51 -11.921 1.317 4.908 384 H GLY 52 H GLY 52 -11.853 -0.618 1.945 385 HA2 GLY 52 1HA GLY 52 -11.450 0.923 -0.225 386 HA3 GLY 52 2HA GLY 52 -11.994 2.103 0.959 387 H GLN 53 H GLN 53 -10.811 1.448 3.244 388 HA GLN 53 HA GLN 53 -8.103 2.213 2.808 389 HB2 GLN 53 1HB GLN 53 -9.812 1.649 5.179 390 HB3 GLN 53 2HB GLN 53 -8.069 1.601 5.401 391 HG2 GLN 53 1HG GLN 53 -7.819 3.837 5.065 392 HG3 GLN 53 2HG GLN 53 -9.221 3.947 4.002 393 HE21 GLN 53 1HE2 GLN 53 -11.294 3.142 5.325 394 HE22 GLN 53 2HE2 GLN 53 -11.527 4.005 6.803 395 H TRP 54 H TRP 54 -6.273 1.033 2.802 396 HA TRP 54 HA TRP 54 -6.554 -1.876 3.180 397 HB2 TRP 54 1HB TRP 54 -4.453 -0.505 1.499 398 HB3 TRP 54 2HB TRP 54 -4.864 -2.218 1.528 399 HD1 TRP 54 HD TRP 54 -8.077 -1.765 1.294 400 HE1 TRP 54 1HE TRP 54 -9.040 -1.097 -0.997 401 HE3 TRP 54 3HE TRP 54 -3.830 0.092 -0.860 402 HZ2 TRP 54 2HZ TRP 54 -8.121 0.063 -3.401 403 HZ3 TRP 54 3HZ TRP 54 -3.956 0.962 -3.159 404 HH2 TRP 54 HH TRP 54 -6.058 0.946 -4.401 405 H GLU 55 H GLU 55 -4.491 -2.977 3.832 406 HA GLU 55 HA GLU 55 -3.144 -1.361 5.888 407 HB2 GLU 55 1HB GLU 55 -4.536 -3.539 6.390 408 HB3 GLU 55 2HB GLU 55 -3.064 -4.350 5.873 409 HG2 GLU 55 1HG GLU 55 -1.795 -3.286 7.601 410 HG3 GLU 55 2HG GLU 55 -3.170 -2.278 8.050 411 H GLY 56 H GLY 56 -1.289 -0.599 5.064 412 HA2 GLY 56 1HA GLY 56 0.528 -2.562 3.812 413 HA3 GLY 56 2HA GLY 56 0.338 -0.943 3.156 414 H GLU 57 H GLU 57 2.743 -2.281 4.163 415 HA GLU 57 HA GLU 57 3.374 -0.557 6.463 416 HB2 GLU 57 1HB GLU 57 3.644 -3.136 6.550 417 HB3 GLU 57 2HB GLU 57 5.073 -2.864 5.562 418 HG2 GLU 57 1HG GLU 57 4.769 -1.271 8.047 419 HG3 GLU 57 2HG GLU 57 5.193 -2.975 8.193 420 H VAL 58 H VAL 58 4.812 1.037 6.244 421 HA VAL 58 HA VAL 58 6.702 0.980 4.007 422 HB VAL 58 HB VAL 58 4.748 3.207 4.565 423 HG11 VAL 58 1HG1 VAL 58 7.466 3.321 3.456 424 HG12 VAL 58 2HG1 VAL 58 6.228 4.120 2.485 425 HG13 VAL 58 3HG1 VAL 58 6.473 4.593 4.167 426 HG21 VAL 58 1HG2 VAL 58 5.181 2.502 1.807 427 HG22 VAL 58 2HG2 VAL 58 4.746 1.078 2.752 428 HG23 VAL 58 3HG2 VAL 58 3.688 2.488 2.746 429 H ASN 59 H ASN 59 8.681 1.449 4.689 430 HA ASN 59 HA ASN 59 10.398 2.072 6.052 431 HB2 ASN 59 1HB ASN 59 8.582 4.472 6.349 432 HB3 ASN 59 2HB ASN 59 10.245 4.423 6.925 433 HD21 ASN 59 1HD2 ASN 59 8.505 5.691 4.613 434 HD22 ASN 59 2HD2 ASN 59 9.600 5.629 3.278 435 H GLY 60 H GLY 60 8.940 0.232 7.316 436 HA2 GLY 60 1HA GLY 60 8.477 -0.637 9.389 437 HA3 GLY 60 2HA GLY 60 9.510 0.635 10.025 438 H ARG 61 H ARG 61 6.431 0.912 8.288 439 HA ARG 61 HA ARG 61 5.021 1.645 10.705 440 HB2 ARG 61 1HB ARG 61 5.353 3.669 8.484 441 HB3 ARG 61 2HB ARG 61 4.388 3.871 9.940 442 HG2 ARG 61 1HG ARG 61 6.367 3.846 11.312 443 HG3 ARG 61 2HG ARG 61 7.374 3.491 9.907 444 HD2 ARG 61 1HD ARG 61 7.670 5.757 10.066 445 HD3 ARG 61 2HD ARG 61 6.286 5.692 8.976 446 HE ARG 61 HE ARG 61 6.315 6.641 11.708 447 HH11 ARG 61 2HH1 ARG 61 4.387 5.555 9.020 448 HH12 ARG 61 1HH1 ARG 61 2.939 6.322 9.580 449 HH21 ARG 61 2HH2 ARG 61 4.414 7.657 12.456 450 HH22 ARG 61 1HH2 ARG 61 2.955 7.519 11.534 451 H LYS 62 H LYS 62 3.297 0.377 10.461 452 HA LYS 62 HA LYS 62 2.059 0.127 7.816 453 HB2 LYS 62 1HB LYS 62 0.733 -1.715 9.005 454 HB3 LYS 62 2HB LYS 62 2.443 -2.008 8.716 455 HG2 LYS 62 1HG LYS 62 2.960 -1.445 11.013 456 HG3 LYS 62 2HG LYS 62 1.267 -1.052 11.319 457 HD2 LYS 62 1HD LYS 62 0.598 -3.293 11.130 458 HD3 LYS 62 2HD LYS 62 2.101 -3.764 10.333 459 HE2 LYS 62 1HE LYS 62 2.202 -4.580 12.564 460 HE3 LYS 62 2HE LYS 62 3.295 -3.200 12.465 461 HZ1 LYS 62 1HZ LYS 62 2.217 -2.424 14.229 462 HZ2 LYS 62 2HZ LYS 62 0.970 -3.558 14.087 463 HZ3 LYS 62 3HZ LYS 62 0.904 -2.115 13.207 464 H GLY 63 H GLY 63 0.315 1.286 7.351 465 HA2 GLY 63 1HA GLY 63 -1.698 1.785 9.393 466 HA3 GLY 63 2HA GLY 63 -0.906 3.211 8.739 467 H LEU 64 H LEU 64 -3.576 3.046 8.466 468 HA LEU 64 HA LEU 64 -4.263 1.864 5.917 469 HB2 LEU 64 1HB LEU 64 -5.838 3.604 7.808 470 HB3 LEU 64 2HB LEU 64 -6.487 2.871 6.342 471 HG LEU 64 HG LEU 64 -5.528 1.435 8.815 472 HD11 LEU 64 1HD1 LEU 64 -7.865 2.643 8.563 473 HD12 LEU 64 2HD1 LEU 64 -7.713 1.072 9.349 474 HD13 LEU 64 3HD1 LEU 64 -8.257 1.171 7.674 475 HD21 LEU 64 1HD2 LEU 64 -6.627 -0.521 7.449 476 HD22 LEU 64 2HD2 LEU 64 -4.936 -0.082 7.202 477 HD23 LEU 64 3HD2 LEU 64 -6.167 0.476 6.068 478 H PHE 65 H PHE 65 -4.238 2.850 4.002 479 HA PHE 65 HA PHE 65 -4.068 5.787 3.935 480 HB2 PHE 65 1HB PHE 65 -2.484 5.605 2.046 481 HB3 PHE 65 2HB PHE 65 -1.839 4.896 3.522 482 HD1 PHE 65 1HD PHE 65 -1.720 2.442 3.764 483 HD2 PHE 65 2HD PHE 65 -2.873 4.294 0.109 484 HE1 PHE 65 1HE PHE 65 -1.290 0.337 2.565 485 HE2 PHE 65 2HE PHE 65 -2.446 2.192 -1.095 486 HZ PHE 65 HZ PHE 65 -1.654 0.209 0.133 487 HA PRO 66 HA PRO 66 -7.413 5.554 1.086 488 HB2 PRO 66 1HB PRO 66 -7.094 7.949 -0.154 489 HB3 PRO 66 2HB PRO 66 -7.718 7.795 1.493 490 HG2 PRO 66 1HG PRO 66 -4.952 8.473 0.572 491 HG3 PRO 66 2HG PRO 66 -5.907 9.202 1.876 492 HD2 PRO 66 1HD PRO 66 -3.963 7.375 2.340 493 HD3 PRO 66 2HD PRO 66 -5.412 7.506 3.357 494 H PHE 67 H PHE 67 -7.777 4.839 -0.952 495 HA PHE 67 HA PHE 67 -5.533 4.137 -2.577 496 HB2 PHE 67 1HB PHE 67 -7.210 3.170 -4.096 497 HB3 PHE 67 2HB PHE 67 -7.492 2.676 -2.430 498 HD1 PHE 67 1HD PHE 67 -9.407 3.506 -1.192 499 HD2 PHE 67 2HD PHE 67 -8.749 4.615 -5.248 500 HE1 PHE 67 1HE PHE 67 -11.725 4.317 -1.343 501 HE2 PHE 67 2HE PHE 67 -11.066 5.429 -5.405 502 HZ PHE 67 HZ PHE 67 -12.557 5.282 -3.451 503 H THR 68 H THR 68 -7.718 6.795 -2.453 504 HA THR 68 HA THR 68 -7.340 7.648 -5.170 505 HB THR 68 HB THR 68 -8.343 9.835 -4.240 506 HG1 THR 68 1HG THR 68 -8.042 9.587 -2.058 507 HG21 THR 68 1HG2 THR 68 -10.437 9.048 -4.713 508 HG22 THR 68 2HG2 THR 68 -10.225 7.586 -3.749 509 HG23 THR 68 3HG2 THR 68 -9.484 7.706 -5.345 510 H HIS 69 H HIS 69 -5.148 7.415 -2.876 511 HA HIS 69 HA HIS 69 -3.881 10.011 -3.451 512 HB2 HIS 69 1HB HIS 69 -3.830 8.217 -1.064 513 HB3 HIS 69 2HB HIS 69 -2.404 9.191 -1.411 514 HD1 HIS 69 1HD HIS 69 -2.588 10.881 0.436 515 HD2 HIS 69 2HD HIS 69 -6.100 10.516 -1.753 516 HE1 HIS 69 1HE HIS 69 -4.076 12.744 1.237 517 HE2 HIS 69 2HE HIS 69 -6.227 12.450 -0.040 518 H VAL 70 H VAL 70 -3.544 6.554 -3.604 519 HA VAL 70 HA VAL 70 -0.833 6.846 -4.711 520 HB VAL 70 HB VAL 70 -0.471 4.514 -4.256 521 HG11 VAL 70 1HG1 VAL 70 -1.837 5.551 -1.792 522 HG12 VAL 70 2HG1 VAL 70 -0.375 4.571 -1.917 523 HG13 VAL 70 3HG1 VAL 70 -0.343 6.269 -2.396 524 HG21 VAL 70 1HG2 VAL 70 -2.944 3.976 -2.812 525 HG22 VAL 70 2HG2 VAL 70 -3.194 4.246 -4.536 526 HG23 VAL 70 3HG2 VAL 70 -2.085 2.988 -3.993 527 H LYS 71 H LYS 71 -0.272 5.526 -6.572 528 HA LYS 71 HA LYS 71 -2.586 5.003 -8.322 529 HB2 LYS 71 1HB LYS 71 -1.157 7.021 -8.907 530 HB3 LYS 71 2HB LYS 71 0.139 5.888 -9.268 531 HG2 LYS 71 1HG LYS 71 -0.742 6.164 -11.348 532 HG3 LYS 71 2HG LYS 71 -1.698 4.787 -10.796 533 HD2 LYS 71 1HD LYS 71 -3.344 6.168 -11.620 534 HD3 LYS 71 2HD LYS 71 -3.319 6.649 -9.922 535 HE2 LYS 71 1HE LYS 71 -2.355 8.673 -10.369 536 HE3 LYS 71 2HE LYS 71 -1.520 8.081 -11.804 537 HZ1 LYS 71 1HZ LYS 71 -3.401 9.667 -12.209 538 HZ2 LYS 71 2HZ LYS 71 -4.458 8.450 -11.696 539 HZ3 LYS 71 3HZ LYS 71 -3.491 8.210 -13.064 540 H ILE 72 H ILE 72 -2.748 3.005 -9.105 541 HA ILE 72 HA ILE 72 -0.807 1.018 -8.415 542 HB ILE 72 HB ILE 72 -3.261 0.816 -10.163 543 HG12 ILE 72 1HG1 ILE 72 -3.488 1.412 -7.669 544 HG13 ILE 72 2HG1 ILE 72 -4.426 0.049 -8.270 545 HG21 ILE 72 1HG2 ILE 72 -1.335 -1.251 -9.154 546 HG22 ILE 72 2HG2 ILE 72 -2.995 -1.661 -9.582 547 HG23 ILE 72 3HG2 ILE 72 -1.912 -0.986 -10.799 548 HD11 ILE 72 1HD1 ILE 72 -2.577 -1.437 -7.432 549 HD12 ILE 72 2HD1 ILE 72 -1.921 -0.015 -6.621 550 HD13 ILE 72 3HD1 ILE 72 -3.526 -0.610 -6.198 551 H PHE 73 H PHE 73 0.921 0.435 -9.538 552 HA PHE 73 HA PHE 73 0.891 0.586 -12.450 553 HB2 PHE 73 1HB PHE 73 2.923 1.841 -12.618 554 HB3 PHE 73 2HB PHE 73 1.839 2.746 -11.566 555 HD1 PHE 73 1HD PHE 73 2.099 1.905 -8.975 556 HD2 PHE 73 2HD PHE 73 5.114 1.857 -11.980 557 HE1 PHE 73 1HE PHE 73 3.834 1.955 -7.231 558 HE2 PHE 73 2HE PHE 73 6.853 1.907 -10.240 559 HZ PHE 73 HZ PHE 73 6.214 1.955 -7.862 560 H ASP 74 H ASP 74 3.236 -0.216 -13.205 561 HA ASP 74 HA ASP 74 3.683 -2.732 -11.748 562 HB2 ASP 74 1HB ASP 74 2.941 -2.586 -14.273 563 HB3 ASP 74 2HB ASP 74 4.657 -2.295 -14.542 564 HA PRO 75 HA PRO 75 7.518 -0.322 -10.937 565 HB2 PRO 75 1HB PRO 75 7.885 -1.343 -8.449 566 HB3 PRO 75 2HB PRO 75 6.840 0.045 -8.773 567 HG2 PRO 75 1HG PRO 75 6.103 -2.830 -8.378 568 HG3 PRO 75 2HG PRO 75 5.318 -1.375 -7.736 569 HD2 PRO 75 1HD PRO 75 4.364 -2.718 -9.885 570 HD3 PRO 75 2HD PRO 75 4.195 -0.960 -9.706 571 H GLN 76 H GLN 76 6.702 -3.551 -11.378 572 HA GLN 76 HA GLN 76 9.483 -4.450 -11.067 573 HB2 GLN 76 1HB GLN 76 8.578 -6.734 -11.112 574 HB3 GLN 76 2HB GLN 76 7.860 -5.776 -9.823 575 HG2 GLN 76 1HG GLN 76 5.841 -5.492 -11.063 576 HG3 GLN 76 2HG GLN 76 6.558 -6.229 -12.495 577 HE21 GLN 76 1HE2 GLN 76 5.368 -8.004 -12.777 578 HE22 GLN 76 2HE2 GLN 76 5.140 -9.246 -11.598 579 H ASN 77 H ASN 77 9.149 -2.880 -13.223 580 HA ASN 77 HA ASN 77 9.070 -4.784 -15.471 581 HB2 ASN 77 1HB ASN 77 7.951 -2.042 -15.186 582 HB3 ASN 77 2HB ASN 77 8.636 -2.475 -16.750 583 HD21 ASN 77 1HD2 ASN 77 5.929 -1.880 -16.284 584 HD22 ASN 77 2HD2 ASN 77 5.004 -3.301 -16.613 585 HA PRO 78 HA PRO 78 13.312 -3.721 -16.081 586 HB2 PRO 78 1HB PRO 78 13.582 -4.697 -18.600 587 HB3 PRO 78 2HB PRO 78 13.492 -5.735 -17.173 588 HG2 PRO 78 1HG PRO 78 11.344 -5.016 -19.130 589 HG3 PRO 78 2HG PRO 78 11.719 -6.592 -18.409 590 HD2 PRO 78 1HD PRO 78 9.700 -5.024 -17.514 591 HD3 PRO 78 2HD PRO 78 10.626 -6.094 -16.442 592 H ASP 79 H ASP 79 10.697 -2.441 -17.858 593 HA ASP 79 HA ASP 79 11.911 -0.976 -19.873 594 HB2 ASP 79 1HB ASP 79 9.384 -1.240 -19.138 595 HB3 ASP 79 2HB ASP 79 9.698 0.283 -18.310 596 H GLU 80 H GLU 80 12.665 1.165 -20.018 597 HA GLU 80 HA GLU 80 14.154 2.773 -19.335 598 HB2 GLU 80 1HB GLU 80 11.949 3.090 -17.292 599 HB3 GLU 80 2HB GLU 80 13.191 4.290 -17.619 600 HG2 GLU 80 1HG GLU 80 11.470 3.297 -19.843 601 HG3 GLU 80 2HG GLU 80 10.848 4.501 -18.716 602 H ASN 81 H ASN 81 15.092 0.385 -18.459 603 HA ASN 81 HA ASN 81 16.504 1.163 -16.055 604 HB2 ASN 81 1HB ASN 81 14.320 -0.179 -15.481 605 HB3 ASN 81 2HB ASN 81 15.272 -1.567 -15.998 606 HD21 ASN 81 1HD2 ASN 81 14.275 -0.106 -13.363 607 HD22 ASN 81 2HD2 ASN 81 15.618 -0.355 -12.305 608 H GLU 82 H GLU 82 18.552 0.890 -16.623 609 HA GLU 82 HA GLU 82 19.340 -0.956 -18.670 610 HB2 GLU 82 1HB GLU 82 21.580 -0.104 -18.325 611 HB3 GLU 82 2HB GLU 82 20.442 1.236 -18.357 612 HG2 GLU 82 1HG GLU 82 20.733 1.726 -16.151 613 HG3 GLU 82 2HG GLU 82 21.152 0.068 -15.723 614 H SER 83 H SER 83 20.676 -2.767 -18.466 615 HA SER 83 HA SER 83 20.716 -3.950 -15.767 616 HB2 SER 83 1HB SER 83 20.528 -6.130 -16.790 617 HB3 SER 83 2HB SER 83 19.252 -5.103 -17.442 618 HG SER 83 HG SER 83 20.045 -5.529 -19.328 619 H GLY 84 H GLY 84 22.665 -4.095 -14.891 620 HA2 GLY 84 1HA GLY 84 24.894 -5.208 -16.255 621 HA3 GLY 84 2HA GLY 84 25.061 -3.462 -16.142 622 HA PRO 85 HA PRO 85 26.198 -5.827 -12.110 623 HB2 PRO 85 1HB PRO 85 28.846 -6.273 -12.510 624 HB3 PRO 85 2HB PRO 85 27.598 -7.450 -12.938 625 HG2 PRO 85 1HG PRO 85 29.040 -5.496 -14.689 626 HG3 PRO 85 2HG PRO 85 28.640 -7.195 -15.001 627 HD2 PRO 85 1HD PRO 85 27.196 -5.147 -16.026 628 HD3 PRO 85 2HD PRO 85 26.467 -6.706 -15.592 629 H SER 86 H SER 86 26.479 -4.360 -10.563 630 HA SER 86 HA SER 86 27.113 -2.476 -9.453 631 HB2 SER 86 1HB SER 86 29.330 -3.799 -9.769 632 HB3 SER 86 2HB SER 86 29.720 -2.547 -10.949 633 HG SER 86 HG SER 86 28.826 -1.819 -8.387 634 H SER 87 H SER 87 25.584 -1.965 -11.687 635 HA SER 87 HA SER 87 26.542 0.698 -12.400 636 HB2 SER 87 1HB SER 87 25.929 0.344 -14.790 637 HB3 SER 87 2HB SER 87 27.291 -0.652 -14.274 638 HG SER 87 HG SER 87 24.812 -1.398 -15.152 639 H GLY 88 H GLY 88 24.897 2.167 -12.940 640 HA2 GLY 88 1HA GLY 88 22.279 1.790 -13.519 641 HA3 GLY 88 2HA GLY 88 22.333 1.510 -11.785 Start of MODEL 2 1 H1 GLY 1 H GLY 1 33.401 -8.089 -8.910 2 HA2 GLY 1 1HA GLY 1 34.047 -9.403 -6.508 3 HA3 GLY 1 2HA GLY 1 35.063 -7.976 -6.654 4 H SER 2 H SER 2 33.569 -7.891 -4.535 5 HA SER 2 HA SER 2 31.730 -7.004 -3.462 6 HB2 SER 2 1HB SER 2 33.313 -5.096 -4.120 7 HB3 SER 2 2HB SER 2 32.148 -4.722 -5.391 8 HG SER 2 HG SER 2 31.526 -4.887 -2.626 9 H SER 3 H SER 3 30.846 -8.745 -5.436 10 HA SER 3 HA SER 3 28.457 -7.349 -6.453 11 HB2 SER 3 1HB SER 3 29.875 -8.045 -8.312 12 HB3 SER 3 2HB SER 3 29.925 -9.693 -7.687 13 HG SER 3 HG SER 3 27.432 -9.292 -7.863 14 H GLY 4 H GLY 4 26.560 -8.059 -5.720 15 HA2 GLY 4 1HA GLY 4 26.358 -10.018 -3.719 16 HA3 GLY 4 2HA GLY 4 25.007 -9.326 -4.604 17 H SER 5 H SER 5 24.130 -10.424 -6.340 18 HA SER 5 HA SER 5 24.811 -13.257 -6.445 19 HB2 SER 5 1HB SER 5 22.456 -11.652 -7.433 20 HB3 SER 5 2HB SER 5 22.691 -13.341 -7.883 21 HG SER 5 HG SER 5 22.418 -13.947 -5.804 22 H SER 6 H SER 6 25.437 -14.341 -8.283 23 HA SER 6 HA SER 6 27.207 -13.351 -10.018 24 HB2 SER 6 1HB SER 6 25.168 -15.517 -10.360 25 HB3 SER 6 2HB SER 6 26.178 -15.069 -11.734 26 HG SER 6 HG SER 6 27.234 -15.705 -9.184 27 H GLY 7 H GLY 7 23.759 -13.622 -10.918 28 HA2 GLY 7 1HA GLY 7 23.929 -11.064 -12.301 29 HA3 GLY 7 2HA GLY 7 23.614 -12.466 -13.312 30 HA PRO 8 HA PRO 8 19.516 -10.808 -12.018 31 HB2 PRO 8 1HB PRO 8 18.347 -11.211 -14.435 32 HB3 PRO 8 2HB PRO 8 19.271 -9.755 -14.046 33 HG2 PRO 8 1HG PRO 8 20.124 -12.192 -15.562 34 HG3 PRO 8 2HG PRO 8 20.433 -10.483 -15.923 35 HD2 PRO 8 1HD PRO 8 22.282 -12.084 -14.760 36 HD3 PRO 8 2HD PRO 8 22.168 -10.348 -14.411 37 H LEU 9 H LEU 9 17.338 -11.899 -12.254 38 HA LEU 9 HA LEU 9 17.447 -14.768 -12.716 39 HB2 LEU 9 1HB LEU 9 16.627 -15.375 -10.556 40 HB3 LEU 9 2HB LEU 9 18.103 -14.434 -10.352 41 HG LEU 9 HG LEU 9 15.477 -13.038 -10.155 42 HD11 LEU 9 1HD1 LEU 9 15.072 -13.691 -7.955 43 HD12 LEU 9 2HD1 LEU 9 16.669 -14.417 -7.776 44 HD13 LEU 9 3HD1 LEU 9 15.452 -15.203 -8.781 45 HD21 LEU 9 1HD2 LEU 9 16.675 -11.421 -9.142 46 HD22 LEU 9 2HD2 LEU 9 18.031 -12.194 -9.964 47 HD23 LEU 9 3HD2 LEU 9 17.694 -12.570 -8.274 48 HA PRO 10 HA PRO 10 13.369 -14.087 -14.207 49 HB2 PRO 10 1HB PRO 10 12.336 -16.581 -13.922 50 HB3 PRO 10 2HB PRO 10 13.521 -16.168 -15.168 51 HG2 PRO 10 1HG PRO 10 13.941 -17.503 -12.522 52 HG3 PRO 10 2HG PRO 10 14.643 -17.903 -14.101 53 HD2 PRO 10 1HD PRO 10 16.000 -16.516 -12.213 54 HD3 PRO 10 2HD PRO 10 16.239 -16.247 -13.952 55 H SER 11 H SER 11 11.710 -13.111 -13.246 56 HA SER 11 HA SER 11 10.978 -13.924 -10.517 57 HB2 SER 11 1HB SER 11 10.083 -11.705 -10.210 58 HB3 SER 11 2HB SER 11 11.703 -11.551 -10.889 59 HG SER 11 HG SER 11 10.495 -10.228 -12.117 60 H THR 12 H THR 12 8.555 -13.309 -10.061 61 HA THR 12 HA THR 12 6.879 -14.226 -12.296 62 HB THR 12 HB THR 12 6.663 -15.227 -9.450 63 HG1 THR 12 1HG THR 12 7.796 -16.268 -11.799 64 HG21 THR 12 1HG2 THR 12 4.493 -15.418 -10.087 65 HG22 THR 12 2HG2 THR 12 5.095 -16.866 -10.894 66 HG23 THR 12 3HG2 THR 12 4.882 -15.372 -11.806 67 H GLN 13 H GLN 13 4.901 -13.273 -12.467 68 HA GLN 13 HA GLN 13 4.458 -10.914 -10.848 69 HB2 GLN 13 1HB GLN 13 2.877 -12.027 -13.173 70 HB3 GLN 13 2HB GLN 13 2.617 -10.459 -12.421 71 HG2 GLN 13 1HG GLN 13 4.828 -9.735 -13.113 72 HG3 GLN 13 2HG GLN 13 5.136 -11.319 -13.825 73 HE21 GLN 13 1HE2 GLN 13 5.556 -9.703 -15.641 74 HE22 GLN 13 2HE2 GLN 13 4.223 -9.386 -16.693 75 H ASN 14 H ASN 14 4.236 -13.170 -9.291 76 HA ASN 14 HA ASN 14 1.346 -13.226 -8.724 77 HB2 ASN 14 1HB ASN 14 2.312 -15.388 -9.682 78 HB3 ASN 14 2HB ASN 14 3.201 -15.540 -8.169 79 HD21 ASN 14 1HD2 ASN 14 1.078 -17.198 -9.363 80 HD22 ASN 14 2HD2 ASN 14 -0.162 -17.292 -8.164 81 H GLY 15 H GLY 15 1.796 -11.443 -7.281 82 HA2 GLY 15 1HA GLY 15 2.436 -12.383 -4.622 83 HA3 GLY 15 2HA GLY 15 3.575 -11.207 -5.262 84 HA PRO 16 HA PRO 16 0.274 -8.842 -3.077 85 HB2 PRO 16 1HB PRO 16 1.988 -7.062 -1.954 86 HB3 PRO 16 2HB PRO 16 1.611 -8.626 -1.221 87 HG2 PRO 16 1HG PRO 16 3.983 -7.826 -2.862 88 HG3 PRO 16 2HG PRO 16 3.924 -8.801 -1.382 89 HD2 PRO 16 1HD PRO 16 4.158 -9.903 -3.844 90 HD3 PRO 16 2HD PRO 16 3.302 -10.710 -2.515 91 H VAL 17 H VAL 17 -0.291 -6.550 -3.291 92 HA VAL 17 HA VAL 17 0.428 -5.559 -5.934 93 HB VAL 17 HB VAL 17 -1.609 -4.428 -4.014 94 HG11 VAL 17 1HG1 VAL 17 -1.899 -2.831 -5.526 95 HG12 VAL 17 2HG1 VAL 17 -0.576 -3.504 -6.481 96 HG13 VAL 17 3HG1 VAL 17 -2.232 -4.041 -6.765 97 HG21 VAL 17 1HG2 VAL 17 -3.158 -5.644 -5.765 98 HG22 VAL 17 2HG2 VAL 17 -1.751 -6.694 -5.940 99 HG23 VAL 17 3HG2 VAL 17 -2.517 -6.502 -4.363 100 H PHE 18 H PHE 18 1.633 -3.799 -6.326 101 HA PHE 18 HA PHE 18 2.598 -2.273 -3.999 102 HB2 PHE 18 1HB PHE 18 3.942 -2.834 -6.649 103 HB3 PHE 18 2HB PHE 18 4.587 -1.748 -5.422 104 HD1 PHE 18 1HD PHE 18 5.072 -2.727 -3.116 105 HD2 PHE 18 2HD PHE 18 4.406 -5.109 -6.580 106 HE1 PHE 18 1HE PHE 18 6.186 -4.627 -2.019 107 HE2 PHE 18 2HE PHE 18 5.518 -7.013 -5.489 108 HZ PHE 18 HZ PHE 18 6.409 -6.774 -3.205 109 H ALA 19 H ALA 19 2.094 -0.187 -3.880 110 HA ALA 19 HA ALA 19 1.276 1.206 -6.345 111 HB1 ALA 19 1HB ALA 19 -0.429 2.397 -5.092 112 HB2 ALA 19 2HB ALA 19 -0.687 0.656 -4.979 113 HB3 ALA 19 3HB ALA 19 0.021 1.533 -3.622 114 H LYS 20 H LYS 20 2.175 3.153 -6.695 115 HA LYS 20 HA LYS 20 4.129 4.105 -4.747 116 HB2 LYS 20 1HB LYS 20 5.006 3.907 -6.952 117 HB3 LYS 20 2HB LYS 20 3.628 4.749 -7.650 118 HG2 LYS 20 1HG LYS 20 4.341 6.831 -6.770 119 HG3 LYS 20 2HG LYS 20 5.564 6.057 -5.759 120 HD2 LYS 20 1HD LYS 20 6.429 5.173 -8.093 121 HD3 LYS 20 2HD LYS 20 5.576 6.600 -8.687 122 HE2 LYS 20 1HE LYS 20 6.876 8.026 -7.230 123 HE3 LYS 20 2HE LYS 20 7.662 6.623 -6.508 124 HZ1 LYS 20 1HZ LYS 20 9.165 6.640 -8.115 125 HZ2 LYS 20 2HZ LYS 20 8.484 8.061 -8.731 126 HZ3 LYS 20 3HZ LYS 20 7.973 6.556 -9.312 127 H ALA 21 H ALA 21 4.039 6.059 -3.740 128 HA ALA 21 HA ALA 21 1.474 7.328 -3.555 129 HB1 ALA 21 1HB ALA 21 4.119 7.693 -2.223 130 HB2 ALA 21 2HB ALA 21 2.894 8.954 -2.083 131 HB3 ALA 21 3HB ALA 21 2.545 7.320 -1.519 132 H ILE 22 H ILE 22 0.743 8.831 -4.894 133 HA ILE 22 HA ILE 22 2.599 10.292 -6.598 134 HB ILE 22 HB ILE 22 0.463 11.183 -7.636 135 HG12 ILE 22 1HG1 ILE 22 -0.961 8.901 -6.342 136 HG13 ILE 22 2HG1 ILE 22 -0.794 10.399 -5.433 137 HG21 ILE 22 1HG2 ILE 22 0.403 8.217 -7.803 138 HG22 ILE 22 2HG2 ILE 22 0.397 9.424 -9.089 139 HG23 ILE 22 3HG2 ILE 22 1.896 9.047 -8.241 140 HD11 ILE 22 1HD1 ILE 22 -2.894 9.988 -6.897 141 HD12 ILE 22 2HD1 ILE 22 -2.132 11.579 -6.882 142 HD13 ILE 22 3HD1 ILE 22 -1.839 10.473 -8.224 143 H GLN 23 H GLN 23 0.643 10.782 -3.798 144 HA GLN 23 HA GLN 23 1.236 13.667 -3.900 145 HB2 GLN 23 1HB GLN 23 -1.141 12.225 -2.729 146 HB3 GLN 23 2HB GLN 23 -0.761 13.901 -2.355 147 HG2 GLN 23 1HG GLN 23 -1.074 14.555 -4.625 148 HG3 GLN 23 2HG GLN 23 -1.214 12.876 -5.145 149 HE21 GLN 23 1HE2 GLN 23 -3.236 13.154 -6.037 150 HE22 GLN 23 2HE2 GLN 23 -4.653 13.402 -5.082 151 H LYS 24 H LYS 24 0.933 14.537 -1.469 152 HA LYS 24 HA LYS 24 2.777 12.911 0.148 153 HB2 LYS 24 1HB LYS 24 3.615 15.134 -0.524 154 HB3 LYS 24 2HB LYS 24 2.239 15.885 0.275 155 HG2 LYS 24 1HG LYS 24 3.016 14.931 2.420 156 HG3 LYS 24 2HG LYS 24 4.441 14.305 1.587 157 HD2 LYS 24 1HD LYS 24 4.979 16.644 0.903 158 HD3 LYS 24 2HD LYS 24 3.644 17.196 1.916 159 HE2 LYS 24 1HE LYS 24 4.765 16.020 3.839 160 HE3 LYS 24 2HE LYS 24 6.156 15.777 2.783 161 HZ1 LYS 24 1HZ LYS 24 6.662 17.714 3.914 162 HZ2 LYS 24 2HZ LYS 24 5.077 18.300 3.862 163 HZ3 LYS 24 3HZ LYS 24 6.026 18.303 2.462 164 H ARG 25 H ARG 25 1.716 11.769 1.632 165 HA ARG 25 HA ARG 25 -0.782 12.706 2.749 166 HB2 ARG 25 1HB ARG 25 0.785 10.178 2.825 167 HB3 ARG 25 2HB ARG 25 -0.310 10.492 4.165 168 HG2 ARG 25 1HG ARG 25 -1.195 10.624 1.299 169 HG3 ARG 25 2HG ARG 25 -1.221 9.130 2.238 170 HD2 ARG 25 1HD ARG 25 -2.843 9.933 3.699 171 HD3 ARG 25 2HD ARG 25 -2.516 11.616 3.289 172 HE ARG 25 HE ARG 25 -3.560 10.016 1.123 173 HH11 ARG 25 2HH1 ARG 25 -4.298 12.119 3.798 174 HH12 ARG 25 1HH1 ARG 25 -5.849 12.579 3.177 175 HH21 ARG 25 2HH2 ARG 25 -5.600 10.614 0.296 176 HH22 ARG 25 1HH2 ARG 25 -6.589 11.722 1.186 177 H VAL 26 H VAL 26 -1.092 13.593 4.709 178 HA VAL 26 HA VAL 26 1.190 13.685 6.568 179 HB VAL 26 HB VAL 26 -0.661 15.980 5.907 180 HG11 VAL 26 1HG1 VAL 26 1.221 17.110 7.415 181 HG12 VAL 26 2HG1 VAL 26 -0.257 16.429 8.098 182 HG13 VAL 26 3HG1 VAL 26 1.240 15.497 8.128 183 HG21 VAL 26 1HG2 VAL 26 1.272 15.326 4.320 184 HG22 VAL 26 2HG2 VAL 26 1.115 17.011 4.817 185 HG23 VAL 26 3HG2 VAL 26 2.317 15.974 5.584 186 HA PRO 27 HA PRO 27 -2.342 11.983 8.901 187 HB2 PRO 27 1HB PRO 27 -0.785 10.605 10.646 188 HB3 PRO 27 2HB PRO 27 -1.217 9.986 9.048 189 HG2 PRO 27 1HG PRO 27 1.308 11.323 9.942 190 HG3 PRO 27 2HG PRO 27 1.103 9.902 8.902 191 HD2 PRO 27 1HD PRO 27 1.617 12.369 7.912 192 HD3 PRO 27 2HD PRO 27 0.634 11.176 7.039 193 H CYS 28 H CYS 28 -3.182 12.568 10.885 194 HA CYS 28 HA CYS 28 -1.986 14.880 12.126 195 HB2 CYS 28 1HB CYS 28 -4.564 13.383 12.584 196 HB3 CYS 28 2HB CYS 28 -4.063 14.728 13.602 197 HG CYS 28 HG CYS 28 -5.959 15.052 11.192 198 H ALA 29 H ALA 29 -1.761 15.049 14.490 199 HA ALA 29 HA ALA 29 -0.111 12.982 15.503 200 HB1 ALA 29 1HB ALA 29 -1.350 15.268 17.029 201 HB2 ALA 29 2HB ALA 29 0.062 14.321 17.498 202 HB3 ALA 29 3HB ALA 29 0.137 15.374 16.086 203 H TYR 30 H TYR 30 -3.342 14.119 16.489 204 HA TYR 30 HA TYR 30 -3.767 12.211 18.494 205 HB2 TYR 30 1HB TYR 30 -6.235 12.705 18.029 206 HB3 TYR 30 2HB TYR 30 -5.219 14.068 18.483 207 HD1 TYR 30 2HD TYR 30 -4.639 15.786 16.853 208 HD2 TYR 30 1HD TYR 30 -7.143 12.514 15.790 209 HE1 TYR 30 2HE TYR 30 -5.331 16.984 14.820 210 HE2 TYR 30 1HE TYR 30 -7.842 13.703 13.753 211 HH TYR 30 HH TYR 30 -6.740 17.001 13.082 212 H ASP 31 H ASP 31 -4.548 12.157 15.041 213 HA ASP 31 HA ASP 31 -5.641 9.473 15.243 214 HB2 ASP 31 1HB ASP 31 -5.428 11.518 13.063 215 HB3 ASP 31 2HB ASP 31 -5.724 9.832 12.645 216 H LYS 32 H LYS 32 -4.004 8.074 15.710 217 HA LYS 32 HA LYS 32 -1.587 8.124 14.064 218 HB2 LYS 32 1HB LYS 32 -2.338 6.826 16.657 219 HB3 LYS 32 2HB LYS 32 -1.005 6.170 15.715 220 HG2 LYS 32 1HG LYS 32 -1.126 9.073 16.454 221 HG3 LYS 32 2HG LYS 32 -0.456 7.858 17.546 222 HD2 LYS 32 1HD LYS 32 1.008 7.154 15.569 223 HD3 LYS 32 2HD LYS 32 0.520 8.679 14.825 224 HE2 LYS 32 1HE LYS 32 1.262 9.668 17.145 225 HE3 LYS 32 2HE LYS 32 2.214 8.186 17.229 226 HZ1 LYS 32 1HZ LYS 32 2.657 9.162 14.710 227 HZ2 LYS 32 2HZ LYS 32 3.721 9.253 16.022 228 HZ3 LYS 32 3HZ LYS 32 2.674 10.541 15.691 229 H THR 33 H THR 33 -3.980 7.382 12.768 230 HA THR 33 HA THR 33 -3.538 4.503 12.308 231 HB THR 33 HB THR 33 -5.883 4.537 11.331 232 HG1 THR 33 1HG THR 33 -6.205 6.895 12.874 233 HG21 THR 33 1HG2 THR 33 -4.985 4.213 13.951 234 HG22 THR 33 2HG2 THR 33 -6.518 3.655 13.281 235 HG23 THR 33 3HG2 THR 33 -6.426 5.220 14.089 236 H ALA 34 H ALA 34 -4.044 7.647 10.817 237 HA ALA 34 HA ALA 34 -4.077 6.765 8.129 238 HB1 ALA 34 1HB ALA 34 -2.997 9.393 8.287 239 HB2 ALA 34 2HB ALA 34 -4.617 8.890 7.803 240 HB3 ALA 34 3HB ALA 34 -4.270 9.233 9.498 241 H LEU 35 H LEU 35 -2.477 5.861 7.028 242 HA LEU 35 HA LEU 35 0.203 5.796 7.972 243 HB2 LEU 35 1HB LEU 35 -1.169 4.168 6.413 244 HB3 LEU 35 2HB LEU 35 -0.460 5.160 5.140 245 HG LEU 35 HG LEU 35 1.034 3.523 7.187 246 HD11 LEU 35 1HD1 LEU 35 1.849 2.500 4.929 247 HD12 LEU 35 2HD1 LEU 35 0.332 3.152 4.312 248 HD13 LEU 35 3HD1 LEU 35 0.317 1.987 5.635 249 HD21 LEU 35 1HD2 LEU 35 2.448 5.322 6.845 250 HD22 LEU 35 2HD2 LEU 35 1.930 5.546 5.174 251 HD23 LEU 35 3HD2 LEU 35 2.974 4.189 5.599 252 H ALA 36 H ALA 36 1.918 7.034 7.486 253 HA ALA 36 HA ALA 36 1.461 9.359 5.772 254 HB1 ALA 36 1HB ALA 36 2.631 10.465 7.296 255 HB2 ALA 36 2HB ALA 36 2.801 8.974 8.223 256 HB3 ALA 36 3HB ALA 36 4.022 9.414 7.030 257 H LEU 37 H LEU 37 2.518 9.710 3.898 258 HA LEU 37 HA LEU 37 4.821 8.057 3.204 259 HB2 LEU 37 1HB LEU 37 2.378 8.283 1.453 260 HB3 LEU 37 2HB LEU 37 3.880 7.462 1.035 261 HG LEU 37 HG LEU 37 2.242 6.591 3.393 262 HD11 LEU 37 1HD1 LEU 37 0.718 6.598 1.508 263 HD12 LEU 37 2HD1 LEU 37 1.161 4.945 1.931 264 HD13 LEU 37 3HD1 LEU 37 1.894 5.722 0.528 265 HD21 LEU 37 1HD2 LEU 37 3.442 4.599 3.234 266 HD22 LEU 37 2HD2 LEU 37 4.651 5.842 2.910 267 HD23 LEU 37 3HD2 LEU 37 3.949 4.924 1.577 268 H GLU 38 H GLU 38 6.249 9.027 1.815 269 HA GLU 38 HA GLU 38 5.724 11.850 1.241 270 HB2 GLU 38 1HB GLU 38 7.753 11.592 2.418 271 HB3 GLU 38 2HB GLU 38 8.241 10.214 1.441 272 HG2 GLU 38 1HG GLU 38 9.591 11.951 0.696 273 HG3 GLU 38 2HG GLU 38 8.315 11.849 -0.516 274 H VAL 39 H VAL 39 5.660 12.677 -0.782 275 HA VAL 39 HA VAL 39 4.811 11.365 -2.955 276 HB VAL 39 HB VAL 39 6.826 13.614 -3.072 277 HG11 VAL 39 1HG1 VAL 39 5.665 14.119 -5.237 278 HG12 VAL 39 2HG1 VAL 39 6.624 12.638 -5.237 279 HG13 VAL 39 3HG1 VAL 39 4.868 12.553 -5.099 280 HG21 VAL 39 1HG2 VAL 39 4.716 15.001 -3.330 281 HG22 VAL 39 2HG2 VAL 39 3.836 13.587 -2.750 282 HG23 VAL 39 3HG2 VAL 39 5.042 14.359 -1.720 283 H GLY 40 H GLY 40 5.540 9.485 -3.735 284 HA2 GLY 40 1HA GLY 40 7.017 8.379 -5.248 285 HA3 GLY 40 2HA GLY 40 8.329 9.385 -4.652 286 H ASP 41 H ASP 41 5.992 7.565 -2.727 287 HA ASP 41 HA ASP 41 8.221 5.899 -1.755 288 HB2 ASP 41 1HB ASP 41 6.076 7.359 -0.298 289 HB3 ASP 41 2HB ASP 41 6.552 5.784 0.331 290 H ILE 42 H ILE 42 8.000 3.783 -2.043 291 HA ILE 42 HA ILE 42 5.654 2.701 -3.256 292 HB ILE 42 HB ILE 42 7.991 1.189 -2.089 293 HG12 ILE 42 1HG1 ILE 42 8.765 2.848 -3.716 294 HG13 ILE 42 2HG1 ILE 42 8.920 1.221 -4.368 295 HG21 ILE 42 1HG2 ILE 42 6.096 0.380 -4.284 296 HG22 ILE 42 2HG2 ILE 42 7.329 -0.612 -3.508 297 HG23 ILE 42 3HG2 ILE 42 5.910 -0.098 -2.597 298 HD11 ILE 42 1HD1 ILE 42 8.079 2.875 -5.996 299 HD12 ILE 42 2HD1 ILE 42 6.972 1.527 -5.730 300 HD13 ILE 42 3HD1 ILE 42 6.650 3.093 -4.986 301 H VAL 43 H VAL 43 3.991 1.613 -2.380 302 HA VAL 43 HA VAL 43 4.100 1.042 0.512 303 HB VAL 43 HB VAL 43 1.657 1.865 -1.063 304 HG11 VAL 43 1HG1 VAL 43 2.116 0.974 1.740 305 HG12 VAL 43 2HG1 VAL 43 0.885 2.201 1.431 306 HG13 VAL 43 3HG1 VAL 43 0.776 0.623 0.649 307 HG21 VAL 43 1HG2 VAL 43 2.481 3.634 1.079 308 HG22 VAL 43 2HG2 VAL 43 3.721 3.487 -0.167 309 HG23 VAL 43 3HG2 VAL 43 2.092 4.003 -0.601 310 H LYS 44 H LYS 44 4.378 -1.103 0.639 311 HA LYS 44 HA LYS 44 3.180 -2.914 -1.257 312 HB2 LYS 44 1HB LYS 44 5.386 -3.414 -0.369 313 HB3 LYS 44 2HB LYS 44 4.758 -3.412 1.274 314 HG2 LYS 44 1HG LYS 44 3.181 -5.291 0.287 315 HG3 LYS 44 2HG LYS 44 4.519 -5.468 -0.850 316 HD2 LYS 44 1HD LYS 44 6.022 -5.540 1.226 317 HD3 LYS 44 2HD LYS 44 4.532 -5.805 2.135 318 HE2 LYS 44 1HE LYS 44 5.109 -7.973 1.733 319 HE3 LYS 44 2HE LYS 44 4.165 -7.657 0.278 320 HZ1 LYS 44 1HZ LYS 44 6.983 -7.002 0.100 321 HZ2 LYS 44 2HZ LYS 44 5.976 -7.767 -1.022 322 HZ3 LYS 44 3HZ LYS 44 6.638 -8.651 0.259 323 H VAL 45 H VAL 45 1.070 -3.319 -1.134 324 HA VAL 45 HA VAL 45 -0.167 -3.584 1.524 325 HB VAL 45 HB VAL 45 -1.376 -1.931 0.420 326 HG11 VAL 45 1HG1 VAL 45 -0.353 -2.106 -1.759 327 HG12 VAL 45 2HG1 VAL 45 -1.213 -3.614 -2.078 328 HG13 VAL 45 3HG1 VAL 45 -2.107 -2.100 -1.936 329 HG21 VAL 45 1HG2 VAL 45 -3.540 -2.819 0.111 330 HG22 VAL 45 2HG2 VAL 45 -2.910 -4.376 -0.427 331 HG23 VAL 45 3HG2 VAL 45 -2.747 -3.895 1.262 332 H THR 46 H THR 46 -0.770 -5.535 2.181 333 HA THR 46 HA THR 46 -1.291 -7.614 0.162 334 HB THR 46 HB THR 46 0.868 -8.148 1.046 335 HG1 THR 46 1HG THR 46 -0.818 -9.800 2.596 336 HG21 THR 46 1HG2 THR 46 0.989 -8.607 3.601 337 HG22 THR 46 2HG2 THR 46 -0.400 -7.524 3.687 338 HG23 THR 46 3HG2 THR 46 1.127 -6.949 3.018 339 H ARG 47 H ARG 47 -2.547 -5.816 2.606 340 HA ARG 47 HA ARG 47 -4.578 -7.861 3.191 341 HB2 ARG 47 1HB ARG 47 -2.993 -6.208 5.090 342 HB3 ARG 47 2HB ARG 47 -4.689 -6.475 5.469 343 HG2 ARG 47 1HG ARG 47 -4.115 -8.974 5.039 344 HG3 ARG 47 2HG ARG 47 -2.454 -8.442 5.305 345 HD2 ARG 47 1HD ARG 47 -3.492 -9.264 7.369 346 HD3 ARG 47 2HD ARG 47 -3.062 -7.558 7.484 347 HE ARG 47 HE ARG 47 -5.778 -8.016 6.660 348 HH11 ARG 47 2HH1 ARG 47 -3.625 -7.680 9.375 349 HH12 ARG 47 1HH1 ARG 47 -4.874 -7.188 10.471 350 HH21 ARG 47 2HH2 ARG 47 -7.430 -7.369 8.093 351 HH22 ARG 47 1HH2 ARG 47 -7.038 -7.013 9.741 352 H MET 48 H MET 48 -5.580 -6.679 1.348 353 HA MET 48 HA MET 48 -6.480 -3.986 1.789 354 HB2 MET 48 1HB MET 48 -7.236 -6.037 -0.298 355 HB3 MET 48 2HB MET 48 -7.804 -4.372 -0.293 356 HG2 MET 48 1HG MET 48 -5.267 -3.797 -0.238 357 HG3 MET 48 2HG MET 48 -5.077 -5.441 -0.842 358 HE1 MET 48 1HE MET 48 -4.684 -2.344 -3.316 359 HE2 MET 48 2HE MET 48 -3.885 -3.313 -2.077 360 HE3 MET 48 3HE MET 48 -4.105 -3.965 -3.702 361 H ASN 49 H ASN 49 -8.276 -3.339 2.789 362 HA ASN 49 HA ASN 49 -10.104 -5.363 3.817 363 HB2 ASN 49 1HB ASN 49 -10.179 -2.403 4.396 364 HB3 ASN 49 2HB ASN 49 -10.862 -3.713 5.355 365 HD21 ASN 49 1HD2 ASN 49 -8.755 -1.519 5.746 366 HD22 ASN 49 2HD2 ASN 49 -7.443 -2.359 6.494 367 H ILE 50 H ILE 50 -12.441 -4.979 3.746 368 HA ILE 50 HA ILE 50 -13.295 -4.388 1.083 369 HB ILE 50 HB ILE 50 -15.052 -4.854 3.491 370 HG12 ILE 50 1HG1 ILE 50 -13.665 -6.752 3.467 371 HG13 ILE 50 2HG1 ILE 50 -15.077 -7.249 2.539 372 HG21 ILE 50 1HG2 ILE 50 -16.763 -5.375 1.985 373 HG22 ILE 50 2HG2 ILE 50 -15.994 -3.949 1.291 374 HG23 ILE 50 3HG2 ILE 50 -15.645 -5.548 0.633 375 HD11 ILE 50 1HD1 ILE 50 -13.317 -8.040 1.277 376 HD12 ILE 50 2HD1 ILE 50 -13.692 -6.506 0.492 377 HD13 ILE 50 3HD1 ILE 50 -12.318 -6.621 1.591 378 H ASN 51 H ASN 51 -13.798 -2.857 4.248 379 HA ASN 51 HA ASN 51 -15.555 -0.894 3.801 380 HB2 ASN 51 1HB ASN 51 -13.795 0.621 5.112 381 HB3 ASN 51 2HB ASN 51 -14.659 -0.697 5.899 382 HD21 ASN 51 1HD2 ASN 51 -11.623 0.446 4.734 383 HD22 ASN 51 2HD2 ASN 51 -10.652 -0.827 5.384 384 H GLY 52 H GLY 52 -12.095 -0.492 3.008 385 HA2 GLY 52 1HA GLY 52 -12.343 0.527 0.477 386 HA3 GLY 52 2HA GLY 52 -12.580 1.916 1.528 387 H GLN 53 H GLN 53 -10.801 1.505 3.534 388 HA GLN 53 HA GLN 53 -8.318 2.119 2.225 389 HB2 GLN 53 1HB GLN 53 -7.470 2.508 4.501 390 HB3 GLN 53 2HB GLN 53 -8.984 3.357 4.213 391 HG2 GLN 53 1HG GLN 53 -9.082 0.661 5.460 392 HG3 GLN 53 2HG GLN 53 -8.555 2.031 6.436 393 HE21 GLN 53 1HE2 GLN 53 -10.584 1.208 7.558 394 HE22 GLN 53 2HE2 GLN 53 -12.066 1.971 7.104 395 H TRP 54 H TRP 54 -6.465 0.928 2.151 396 HA TRP 54 HA TRP 54 -6.730 -1.896 2.909 397 HB2 TRP 54 1HB TRP 54 -4.592 -0.749 1.122 398 HB3 TRP 54 2HB TRP 54 -5.151 -2.416 1.229 399 HD1 TRP 54 HD TRP 54 -8.307 -1.744 0.979 400 HE1 TRP 54 1HE TRP 54 -9.234 -1.075 -1.327 401 HE3 TRP 54 3HE TRP 54 -3.954 -0.241 -1.241 402 HZ2 TRP 54 2HZ TRP 54 -8.250 -0.046 -3.765 403 HZ3 TRP 54 3HZ TRP 54 -4.033 0.571 -3.563 404 HH2 TRP 54 HH TRP 54 -6.138 0.665 -4.797 405 H GLU 55 H GLU 55 -4.631 -2.975 3.556 406 HA GLU 55 HA GLU 55 -3.242 -1.245 5.490 407 HB2 GLU 55 1HB GLU 55 -4.619 -3.326 6.215 408 HB3 GLU 55 2HB GLU 55 -3.247 -4.245 5.611 409 HG2 GLU 55 1HG GLU 55 -1.776 -3.003 7.148 410 HG3 GLU 55 2HG GLU 55 -3.189 -2.168 7.788 411 H GLY 56 H GLY 56 -1.254 -0.671 4.931 412 HA2 GLY 56 1HA GLY 56 0.421 -2.641 3.511 413 HA3 GLY 56 2HA GLY 56 0.343 -0.972 2.968 414 H GLU 57 H GLU 57 2.676 -2.455 3.821 415 HA GLU 57 HA GLU 57 3.381 -1.031 6.297 416 HB2 GLU 57 1HB GLU 57 3.621 -3.505 6.317 417 HB3 GLU 57 2HB GLU 57 4.786 -3.377 5.007 418 HG2 GLU 57 1HG GLU 57 6.066 -1.812 6.616 419 HG3 GLU 57 2HG GLU 57 5.060 -2.548 7.863 420 H VAL 58 H VAL 58 4.659 0.681 6.142 421 HA VAL 58 HA VAL 58 6.704 0.790 4.059 422 HB VAL 58 HB VAL 58 4.696 3.008 4.484 423 HG11 VAL 58 1HG1 VAL 58 6.942 2.882 2.480 424 HG12 VAL 58 2HG1 VAL 58 5.874 4.245 2.822 425 HG13 VAL 58 3HG1 VAL 58 7.055 3.725 4.025 426 HG21 VAL 58 1HG2 VAL 58 5.030 0.918 2.377 427 HG22 VAL 58 2HG2 VAL 58 3.559 1.503 3.155 428 HG23 VAL 58 3HG2 VAL 58 4.372 2.496 1.946 429 H ASN 59 H ASN 59 8.493 2.018 4.588 430 HA ASN 59 HA ASN 59 10.071 2.782 6.055 431 HB2 ASN 59 1HB ASN 59 7.725 4.584 6.680 432 HB3 ASN 59 2HB ASN 59 9.359 4.871 7.272 433 HD21 ASN 59 1HD2 ASN 59 7.871 6.626 5.637 434 HD22 ASN 59 2HD2 ASN 59 8.705 6.781 4.131 435 H GLY 60 H GLY 60 9.161 0.477 7.043 436 HA2 GLY 60 1HA GLY 60 8.873 -0.761 8.957 437 HA3 GLY 60 2HA GLY 60 9.788 0.525 9.731 438 H ARG 61 H ARG 61 6.633 0.913 8.224 439 HA ARG 61 HA ARG 61 5.334 1.000 10.835 440 HB2 ARG 61 1HB ARG 61 6.249 3.320 10.075 441 HB3 ARG 61 2HB ARG 61 4.894 3.294 8.955 442 HG2 ARG 61 1HG ARG 61 3.323 3.174 10.755 443 HG3 ARG 61 2HG ARG 61 4.620 2.967 11.933 444 HD2 ARG 61 1HD ARG 61 5.366 5.181 11.657 445 HD3 ARG 61 2HD ARG 61 4.443 5.391 10.170 446 HE ARG 61 HE ARG 61 2.646 5.999 11.436 447 HH11 ARG 61 2HH1 ARG 61 4.885 4.250 13.447 448 HH12 ARG 61 1HH1 ARG 61 3.996 4.532 14.907 449 HH21 ARG 61 2HH2 ARG 61 1.466 6.377 13.351 450 HH22 ARG 61 1HH2 ARG 61 2.051 5.741 14.851 451 H LYS 62 H LYS 62 3.001 0.996 10.704 452 HA LYS 62 HA LYS 62 1.934 0.207 8.081 453 HB2 LYS 62 1HB LYS 62 1.675 -1.259 10.697 454 HB3 LYS 62 2HB LYS 62 0.495 -1.466 9.409 455 HG2 LYS 62 1HG LYS 62 2.656 -1.931 7.972 456 HG3 LYS 62 2HG LYS 62 3.328 -2.345 9.551 457 HD2 LYS 62 1HD LYS 62 1.060 -3.706 9.740 458 HD3 LYS 62 2HD LYS 62 1.187 -3.681 7.980 459 HE2 LYS 62 1HE LYS 62 3.521 -4.561 8.232 460 HE3 LYS 62 2HE LYS 62 3.192 -4.764 9.952 461 HZ1 LYS 62 1HZ LYS 62 2.229 -6.308 7.683 462 HZ2 LYS 62 2HZ LYS 62 1.109 -6.034 8.920 463 HZ3 LYS 62 3HZ LYS 62 2.575 -6.804 9.263 464 H GLY 63 H GLY 63 0.190 1.340 7.539 465 HA2 GLY 63 1HA GLY 63 -1.738 2.139 9.564 466 HA3 GLY 63 2HA GLY 63 -0.902 3.455 8.753 467 H LEU 64 H LEU 64 -3.609 3.322 8.585 468 HA LEU 64 HA LEU 64 -4.359 1.980 6.128 469 HB2 LEU 64 1HB LEU 64 -5.954 3.873 7.847 470 HB3 LEU 64 2HB LEU 64 -6.582 2.848 6.558 471 HG LEU 64 HG LEU 64 -5.348 1.814 9.109 472 HD11 LEU 64 1HD1 LEU 64 -8.270 1.853 8.413 473 HD12 LEU 64 2HD1 LEU 64 -7.503 3.120 9.369 474 HD13 LEU 64 3HD1 LEU 64 -7.515 1.458 9.957 475 HD21 LEU 64 1HD2 LEU 64 -6.795 0.498 6.820 476 HD22 LEU 64 2HD2 LEU 64 -6.524 -0.283 8.378 477 HD23 LEU 64 3HD2 LEU 64 -5.150 0.196 7.380 478 H PHE 65 H PHE 65 -4.308 2.857 4.168 479 HA PHE 65 HA PHE 65 -4.236 5.789 3.934 480 HB2 PHE 65 1HB PHE 65 -2.609 5.579 2.103 481 HB3 PHE 65 2HB PHE 65 -1.969 4.922 3.606 482 HD1 PHE 65 2HD PHE 65 -3.152 4.138 0.240 483 HD2 PHE 65 1HD PHE 65 -1.589 2.552 3.868 484 HE1 PHE 65 2HE PHE 65 -2.662 2.015 -0.903 485 HE2 PHE 65 1HE PHE 65 -1.096 0.427 2.730 486 HZ PHE 65 HZ PHE 65 -1.633 0.156 0.342 487 HA PRO 66 HA PRO 66 -7.531 5.271 1.063 488 HB2 PRO 66 1HB PRO 66 -7.280 7.600 -0.309 489 HB3 PRO 66 2HB PRO 66 -7.921 7.518 1.336 490 HG2 PRO 66 1HG PRO 66 -5.168 8.243 0.410 491 HG3 PRO 66 2HG PRO 66 -6.167 9.010 1.658 492 HD2 PRO 66 1HD PRO 66 -4.165 7.286 2.251 493 HD3 PRO 66 2HD PRO 66 -5.633 7.422 3.241 494 H PHE 67 H PHE 67 -7.853 4.458 -0.950 495 HA PHE 67 HA PHE 67 -5.607 3.634 -2.476 496 HB2 PHE 67 1HB PHE 67 -7.460 2.985 -4.161 497 HB3 PHE 67 2HB PHE 67 -7.435 2.178 -2.597 498 HD1 PHE 67 1HD PHE 67 -9.103 2.716 -0.894 499 HD2 PHE 67 2HD PHE 67 -9.233 4.469 -4.771 500 HE1 PHE 67 1HE PHE 67 -11.430 3.409 -0.499 501 HE2 PHE 67 2HE PHE 67 -11.560 5.166 -4.381 502 HZ PHE 67 HZ PHE 67 -12.662 4.637 -2.243 503 H THR 68 H THR 68 -7.389 6.515 -2.400 504 HA THR 68 HA THR 68 -6.970 7.251 -5.158 505 HB THR 68 HB THR 68 -7.810 9.491 -4.433 506 HG1 THR 68 1HG THR 68 -8.241 9.872 -2.349 507 HG21 THR 68 1HG2 THR 68 -10.089 8.457 -3.551 508 HG22 THR 68 2HG2 THR 68 -9.317 6.955 -4.058 509 HG23 THR 68 3HG2 THR 68 -9.565 8.255 -5.222 510 H HIS 69 H HIS 69 -5.152 7.350 -2.279 511 HA HIS 69 HA HIS 69 -3.542 9.634 -2.947 512 HB2 HIS 69 1HB HIS 69 -3.520 9.320 -0.669 513 HB3 HIS 69 2HB HIS 69 -3.541 7.564 -0.802 514 HD1 HIS 69 1HD HIS 69 -1.063 10.322 -1.702 515 HD2 HIS 69 2HD HIS 69 -1.183 6.521 -0.029 516 HE1 HIS 69 1HE HIS 69 1.315 9.782 -1.087 517 HE2 HIS 69 2HE HIS 69 1.230 7.444 -0.155 518 H VAL 70 H VAL 70 -3.006 6.114 -2.932 519 HA VAL 70 HA VAL 70 -0.562 6.497 -4.498 520 HB VAL 70 HB VAL 70 -0.116 4.128 -4.079 521 HG11 VAL 70 1HG1 VAL 70 -0.816 4.955 -1.355 522 HG12 VAL 70 2HG1 VAL 70 0.754 4.556 -2.054 523 HG13 VAL 70 3HG1 VAL 70 0.069 6.166 -2.283 524 HG21 VAL 70 1HG2 VAL 70 -1.995 3.485 -2.084 525 HG22 VAL 70 2HG2 VAL 70 -2.913 4.083 -3.466 526 HG23 VAL 70 3HG2 VAL 70 -1.796 2.733 -3.667 527 H LYS 71 H LYS 71 -0.496 6.152 -6.618 528 HA LYS 71 HA LYS 71 -2.870 5.117 -7.954 529 HB2 LYS 71 1HB LYS 71 -1.655 7.234 -8.670 530 HB3 LYS 71 2HB LYS 71 -0.366 6.189 -9.252 531 HG2 LYS 71 1HG LYS 71 -1.781 5.196 -10.873 532 HG3 LYS 71 2HG LYS 71 -3.218 5.938 -10.166 533 HD2 LYS 71 1HD LYS 71 -0.968 7.623 -11.210 534 HD3 LYS 71 2HD LYS 71 -2.202 6.983 -12.298 535 HE2 LYS 71 1HE LYS 71 -3.939 8.101 -11.057 536 HE3 LYS 71 2HE LYS 71 -2.781 8.629 -9.837 537 HZ1 LYS 71 1HZ LYS 71 -3.310 9.706 -12.479 538 HZ2 LYS 71 2HZ LYS 71 -1.679 9.636 -12.038 539 HZ3 LYS 71 3HZ LYS 71 -2.778 10.488 -11.076 540 H ILE 72 H ILE 72 -3.024 3.128 -8.759 541 HA ILE 72 HA ILE 72 -0.970 1.211 -8.361 542 HB ILE 72 HB ILE 72 -3.461 0.971 -10.053 543 HG12 ILE 72 1HG1 ILE 72 -3.836 1.576 -7.642 544 HG13 ILE 72 2HG1 ILE 72 -4.536 0.034 -8.122 545 HG21 ILE 72 1HG2 ILE 72 -1.984 -0.771 -10.664 546 HG22 ILE 72 2HG2 ILE 72 -1.519 -1.063 -8.989 547 HG23 ILE 72 3HG2 ILE 72 -3.141 -1.483 -9.539 548 HD11 ILE 72 1HD1 ILE 72 -3.398 -1.020 -6.549 549 HD12 ILE 72 2HD1 ILE 72 -1.873 -0.361 -7.143 550 HD13 ILE 72 3HD1 ILE 72 -2.830 0.547 -5.972 551 H PHE 73 H PHE 73 0.816 1.057 -9.535 552 HA PHE 73 HA PHE 73 0.665 1.656 -12.415 553 HB2 PHE 73 1HB PHE 73 2.969 2.331 -12.345 554 HB3 PHE 73 2HB PHE 73 2.127 3.165 -11.044 555 HD1 PHE 73 1HD PHE 73 2.240 2.054 -8.708 556 HD2 PHE 73 2HD PHE 73 4.918 1.179 -11.899 557 HE1 PHE 73 1HE PHE 73 3.879 1.188 -7.090 558 HE2 PHE 73 2HE PHE 73 6.561 0.311 -10.286 559 HZ PHE 73 HZ PHE 73 6.042 0.313 -7.879 560 H ASP 74 H ASP 74 2.828 0.557 -13.440 561 HA ASP 74 HA ASP 74 2.517 -2.308 -12.850 562 HB2 ASP 74 1HB ASP 74 3.633 -2.443 -15.228 563 HB3 ASP 74 2HB ASP 74 1.912 -2.102 -15.070 564 HA PRO 75 HA PRO 75 6.774 -1.355 -11.383 565 HB2 PRO 75 1HB PRO 75 6.693 -3.134 -9.334 566 HB3 PRO 75 2HB PRO 75 6.063 -1.487 -9.202 567 HG2 PRO 75 1HG PRO 75 4.590 -4.045 -9.701 568 HG3 PRO 75 2HG PRO 75 4.161 -2.697 -8.632 569 HD2 PRO 75 1HD PRO 75 3.046 -3.030 -11.078 570 HD3 PRO 75 2HD PRO 75 3.321 -1.428 -10.364 571 H GLN 76 H GLN 76 5.281 -3.813 -12.985 572 HA GLN 76 HA GLN 76 7.271 -5.868 -12.656 573 HB2 GLN 76 1HB GLN 76 5.077 -5.596 -14.719 574 HB3 GLN 76 2HB GLN 76 6.042 -7.038 -14.432 575 HG2 GLN 76 1HG GLN 76 5.017 -7.477 -12.401 576 HG3 GLN 76 2HG GLN 76 4.437 -5.821 -12.225 577 HE21 GLN 76 1HE2 GLN 76 2.372 -6.773 -11.777 578 HE22 GLN 76 2HE2 GLN 76 1.357 -7.286 -13.077 579 H ASN 77 H ASN 77 8.533 -3.518 -13.330 580 HA ASN 77 HA ASN 77 9.559 -4.164 -16.009 581 HB2 ASN 77 1HB ASN 77 8.564 -1.554 -14.981 582 HB3 ASN 77 2HB ASN 77 9.998 -1.525 -16.003 583 HD21 ASN 77 1HD2 ASN 77 6.606 -2.253 -15.838 584 HD22 ASN 77 2HD2 ASN 77 6.338 -2.350 -17.542 585 HA PRO 78 HA PRO 78 13.442 -4.280 -13.914 586 HB2 PRO 78 1HB PRO 78 15.053 -4.182 -16.097 587 HB3 PRO 78 2HB PRO 78 14.147 -5.629 -15.635 588 HG2 PRO 78 1HG PRO 78 13.491 -3.562 -17.699 589 HG3 PRO 78 2HG PRO 78 13.352 -5.327 -17.799 590 HD2 PRO 78 1HD PRO 78 11.224 -3.723 -17.316 591 HD3 PRO 78 2HD PRO 78 11.357 -5.362 -16.645 592 H ASP 79 H ASP 79 12.312 -1.660 -15.782 593 HA ASP 79 HA ASP 79 14.394 0.080 -16.042 594 HB2 ASP 79 1HB ASP 79 12.835 1.780 -16.211 595 HB3 ASP 79 2HB ASP 79 11.823 0.366 -16.491 596 H GLU 80 H GLU 80 12.460 -0.426 -13.101 597 HA GLU 80 HA GLU 80 14.194 1.319 -11.571 598 HB2 GLU 80 1HB GLU 80 11.758 1.271 -11.157 599 HB3 GLU 80 2HB GLU 80 11.887 -0.411 -10.662 600 HG2 GLU 80 1HG GLU 80 12.971 0.112 -8.691 601 HG3 GLU 80 2HG GLU 80 13.510 1.682 -9.284 602 H ASN 81 H ASN 81 16.183 0.211 -11.718 603 HA ASN 81 HA ASN 81 16.360 -2.472 -10.612 604 HB2 ASN 81 1HB ASN 81 17.690 -1.931 -12.597 605 HB3 ASN 81 2HB ASN 81 18.505 -0.644 -11.714 606 HD21 ASN 81 1HD2 ASN 81 19.950 -1.194 -10.045 607 HD22 ASN 81 2HD2 ASN 81 20.679 -2.759 -9.973 608 H GLU 82 H GLU 82 15.969 -2.314 -8.437 609 HA GLU 82 HA GLU 82 18.045 -0.951 -6.881 610 HB2 GLU 82 1HB GLU 82 15.073 -0.625 -6.575 611 HB3 GLU 82 2HB GLU 82 16.152 -0.391 -5.208 612 HG2 GLU 82 1HG GLU 82 16.570 1.066 -7.789 613 HG3 GLU 82 2HG GLU 82 15.448 1.658 -6.565 614 H SER 83 H SER 83 18.931 -2.265 -5.433 615 HA SER 83 HA SER 83 17.571 -4.787 -4.818 616 HB2 SER 83 1HB SER 83 19.738 -5.646 -4.190 617 HB3 SER 83 2HB SER 83 19.899 -4.834 -5.747 618 HG SER 83 HG SER 83 21.542 -4.015 -4.611 619 H GLY 84 H GLY 84 17.148 -5.457 -2.742 620 HA2 GLY 84 1HA GLY 84 18.003 -3.841 -0.485 621 HA3 GLY 84 2HA GLY 84 16.278 -3.801 -0.822 622 HA PRO 85 HA PRO 85 16.976 -7.274 2.120 623 HB2 PRO 85 1HB PRO 85 14.731 -6.786 3.566 624 HB3 PRO 85 2HB PRO 85 16.268 -5.966 3.871 625 HG2 PRO 85 1HG PRO 85 13.874 -5.002 2.353 626 HG3 PRO 85 2HG PRO 85 14.890 -4.127 3.513 627 HD2 PRO 85 1HD PRO 85 15.155 -3.835 0.834 628 HD3 PRO 85 2HD PRO 85 16.530 -3.705 1.949 629 H SER 86 H SER 86 16.540 -9.014 0.849 630 HA SER 86 HA SER 86 13.842 -9.381 -0.210 631 HB2 SER 86 1HB SER 86 16.324 -11.063 -0.636 632 HB3 SER 86 2HB SER 86 14.796 -11.221 -1.503 633 HG SER 86 HG SER 86 16.830 -9.381 -1.814 634 H SER 87 H SER 87 12.722 -11.410 0.072 635 HA SER 87 HA SER 87 13.325 -12.660 2.671 636 HB2 SER 87 1HB SER 87 10.752 -11.865 1.374 637 HB3 SER 87 2HB SER 87 10.757 -13.265 2.447 638 HG SER 87 HG SER 87 10.627 -11.841 3.980 639 H GLY 88 H GLY 88 11.694 -13.357 -0.428 640 HA2 GLY 88 1HA GLY 88 13.128 -15.857 -0.660 641 HA3 GLY 88 2HA GLY 88 11.409 -16.042 -0.345 Start of MODEL 3 1 H1 GLY 1 H GLY 1 22.059 -34.545 6.695 2 HA2 GLY 1 1HA GLY 1 21.872 -33.466 4.013 3 HA3 GLY 1 2HA GLY 1 22.576 -35.009 4.473 4 H SER 2 H SER 2 19.435 -33.362 4.220 5 HA SER 2 HA SER 2 18.331 -35.662 2.855 6 HB2 SER 2 1HB SER 2 16.400 -35.841 4.440 7 HB3 SER 2 2HB SER 2 17.938 -36.347 5.139 8 HG SER 2 HG SER 2 16.762 -33.783 5.469 9 H SER 3 H SER 3 17.550 -34.656 1.120 10 HA SER 3 HA SER 3 15.433 -32.721 1.436 11 HB2 SER 3 1HB SER 3 18.120 -31.963 0.330 12 HB3 SER 3 2HB SER 3 16.662 -31.172 -0.268 13 HG SER 3 HG SER 3 16.229 -30.843 2.098 14 H GLY 4 H GLY 4 13.921 -33.168 -0.023 15 HA2 GLY 4 1HA GLY 4 14.326 -33.548 -2.757 16 HA3 GLY 4 2HA GLY 4 14.286 -35.140 -2.015 17 H SER 5 H SER 5 12.451 -32.227 -2.667 18 HA SER 5 HA SER 5 9.984 -33.733 -2.088 19 HB2 SER 5 1HB SER 5 8.906 -31.592 -1.535 20 HB3 SER 5 2HB SER 5 10.301 -31.885 -0.496 21 HG SER 5 HG SER 5 10.680 -30.444 -2.863 22 H SER 6 H SER 6 8.054 -32.599 -3.276 23 HA SER 6 HA SER 6 8.820 -32.486 -6.099 24 HB2 SER 6 1HB SER 6 6.424 -32.884 -6.549 25 HB3 SER 6 2HB SER 6 7.103 -34.124 -5.495 26 HG SER 6 HG SER 6 5.769 -31.843 -4.486 27 H GLY 7 H GLY 7 7.109 -31.071 -7.401 28 HA2 GLY 7 1HA GLY 7 7.380 -28.371 -6.278 29 HA3 GLY 7 2HA GLY 7 7.157 -28.759 -7.977 30 HA PRO 8 HA PRO 8 3.067 -27.914 -5.566 31 HB2 PRO 8 1HB PRO 8 2.874 -25.213 -5.758 32 HB3 PRO 8 2HB PRO 8 3.613 -26.027 -4.374 33 HG2 PRO 8 1HG PRO 8 4.925 -24.751 -6.743 34 HG3 PRO 8 2HG PRO 8 5.378 -24.662 -5.031 35 HD2 PRO 8 1HD PRO 8 6.631 -26.299 -6.786 36 HD3 PRO 8 2HD PRO 8 6.427 -26.714 -5.072 37 H LEU 9 H LEU 9 1.128 -26.727 -6.537 38 HA LEU 9 HA LEU 9 0.811 -27.492 -9.211 39 HB2 LEU 9 1HB LEU 9 -1.279 -26.108 -9.106 40 HB3 LEU 9 2HB LEU 9 -1.115 -27.340 -7.856 41 HG LEU 9 HG LEU 9 -0.190 -25.346 -6.432 42 HD11 LEU 9 1HD1 LEU 9 -2.038 -23.808 -8.220 43 HD12 LEU 9 2HD1 LEU 9 -0.301 -23.857 -8.518 44 HD13 LEU 9 3HD1 LEU 9 -0.917 -23.207 -6.998 45 HD21 LEU 9 1HD2 LEU 9 -2.063 -25.861 -5.362 46 HD22 LEU 9 2HD2 LEU 9 -2.764 -26.517 -6.842 47 HD23 LEU 9 3HD2 LEU 9 -2.957 -24.806 -6.457 48 HA PRO 10 HA PRO 10 2.441 -24.166 -11.572 49 HB2 PRO 10 1HB PRO 10 0.793 -24.224 -13.728 50 HB3 PRO 10 2HB PRO 10 2.029 -25.452 -13.430 51 HG2 PRO 10 1HG PRO 10 -0.911 -25.549 -12.872 52 HG3 PRO 10 2HG PRO 10 0.140 -26.802 -13.560 53 HD2 PRO 10 1HD PRO 10 -0.631 -26.811 -10.964 54 HD3 PRO 10 2HD PRO 10 0.942 -27.440 -11.496 55 H SER 11 H SER 11 2.180 -22.160 -10.779 56 HA SER 11 HA SER 11 -0.506 -20.973 -10.779 57 HB2 SER 11 1HB SER 11 1.105 -21.057 -8.699 58 HB3 SER 11 2HB SER 11 1.853 -19.663 -9.478 59 HG SER 11 HG SER 11 0.076 -18.500 -9.150 60 H THR 12 H THR 12 -0.959 -19.837 -12.539 61 HA THR 12 HA THR 12 0.735 -18.975 -14.510 62 HB THR 12 HB THR 12 -1.683 -18.943 -14.795 63 HG1 THR 12 1HG THR 12 -1.584 -17.291 -16.161 64 HG21 THR 12 1HG2 THR 12 -1.991 -17.946 -12.404 65 HG22 THR 12 2HG2 THR 12 -3.146 -17.537 -13.674 66 HG23 THR 12 3HG2 THR 12 -1.875 -16.396 -13.236 67 H GLN 13 H GLN 13 -0.214 -17.235 -11.579 68 HA GLN 13 HA GLN 13 2.192 -15.728 -11.541 69 HB2 GLN 13 1HB GLN 13 1.042 -14.481 -13.314 70 HB3 GLN 13 2HB GLN 13 -0.335 -14.226 -12.249 71 HG2 GLN 13 1HG GLN 13 0.749 -12.234 -12.024 72 HG3 GLN 13 2HG GLN 13 1.458 -13.139 -10.688 73 HE21 GLN 13 1HE2 GLN 13 2.902 -11.113 -11.353 74 HE22 GLN 13 2HE2 GLN 13 4.266 -11.536 -12.324 75 H ASN 14 H ASN 14 2.547 -14.781 -9.562 76 HA ASN 14 HA ASN 14 0.388 -14.403 -7.685 77 HB2 ASN 14 1HB ASN 14 1.261 -15.942 -5.993 78 HB3 ASN 14 2HB ASN 14 0.822 -16.816 -7.458 79 HD21 ASN 14 1HD2 ASN 14 3.078 -16.581 -5.122 80 HD22 ASN 14 2HD2 ASN 14 4.447 -17.221 -5.959 81 H GLY 15 H GLY 15 0.856 -12.816 -6.271 82 HA2 GLY 15 1HA GLY 15 3.250 -12.250 -5.035 83 HA3 GLY 15 2HA GLY 15 3.312 -11.384 -6.563 84 HA PRO 16 HA PRO 16 0.826 -9.117 -3.161 85 HB2 PRO 16 1HB PRO 16 2.737 -7.396 -2.289 86 HB3 PRO 16 2HB PRO 16 2.456 -8.975 -1.547 87 HG2 PRO 16 1HG PRO 16 4.539 -8.160 -3.537 88 HG3 PRO 16 2HG PRO 16 4.707 -9.179 -2.095 89 HD2 PRO 16 1HD PRO 16 4.509 -10.209 -4.591 90 HD3 PRO 16 2HD PRO 16 3.869 -11.043 -3.160 91 H VAL 17 H VAL 17 0.256 -6.825 -3.229 92 HA VAL 17 HA VAL 17 0.695 -5.717 -5.904 93 HB VAL 17 HB VAL 17 -1.349 -4.984 -3.803 94 HG11 VAL 17 1HG1 VAL 17 -1.355 -4.088 -6.667 95 HG12 VAL 17 2HG1 VAL 17 -2.287 -3.456 -5.308 96 HG13 VAL 17 3HG1 VAL 17 -0.551 -3.156 -5.405 97 HG21 VAL 17 1HG2 VAL 17 -1.415 -7.234 -5.169 98 HG22 VAL 17 2HG2 VAL 17 -2.880 -6.290 -4.901 99 HG23 VAL 17 3HG2 VAL 17 -2.031 -6.181 -6.443 100 H PHE 18 H PHE 18 1.667 -3.795 -6.267 101 HA PHE 18 HA PHE 18 2.659 -2.330 -3.910 102 HB2 PHE 18 1HB PHE 18 3.950 -2.735 -6.613 103 HB3 PHE 18 2HB PHE 18 4.552 -1.613 -5.398 104 HD1 PHE 18 2HD PHE 18 4.060 -5.150 -6.241 105 HD2 PHE 18 1HD PHE 18 5.723 -2.386 -3.464 106 HE1 PHE 18 2HE PHE 18 5.352 -6.971 -5.209 107 HE2 PHE 18 1HE PHE 18 7.019 -4.203 -2.427 108 HZ PHE 18 HZ PHE 18 6.833 -6.499 -3.299 109 H ALA 19 H ALA 19 2.090 -0.261 -3.715 110 HA ALA 19 HA ALA 19 0.977 1.106 -6.078 111 HB1 ALA 19 1HB ALA 19 -0.931 0.922 -4.858 112 HB2 ALA 19 2HB ALA 19 -0.073 0.854 -3.318 113 HB3 ALA 19 3HB ALA 19 -0.295 2.400 -4.136 114 H LYS 20 H LYS 20 2.112 2.820 -6.677 115 HA LYS 20 HA LYS 20 4.171 3.908 -4.991 116 HB2 LYS 20 1HB LYS 20 4.797 3.854 -7.234 117 HB3 LYS 20 2HB LYS 20 3.226 4.415 -7.790 118 HG2 LYS 20 1HG LYS 20 3.720 6.614 -7.414 119 HG3 LYS 20 2HG LYS 20 4.881 6.248 -6.135 120 HD2 LYS 20 1HD LYS 20 5.353 5.603 -9.040 121 HD3 LYS 20 2HD LYS 20 5.871 7.111 -8.284 122 HE2 LYS 20 1HE LYS 20 7.031 5.596 -6.557 123 HE3 LYS 20 2HE LYS 20 6.805 4.312 -7.744 124 HZ1 LYS 20 1HZ LYS 20 8.985 5.534 -7.830 125 HZ2 LYS 20 2HZ LYS 20 8.131 6.875 -8.408 126 HZ3 LYS 20 3HZ LYS 20 8.144 5.435 -9.295 127 H ALA 21 H ALA 21 4.308 6.006 -4.174 128 HA ALA 21 HA ALA 21 1.733 7.215 -3.563 129 HB1 ALA 21 1HB ALA 21 3.886 6.788 -2.011 130 HB2 ALA 21 2HB ALA 21 4.200 8.448 -2.519 131 HB3 ALA 21 3HB ALA 21 2.691 8.047 -1.698 132 H ILE 22 H ILE 22 0.960 8.572 -5.053 133 HA ILE 22 HA ILE 22 2.736 10.175 -6.688 134 HB ILE 22 HB ILE 22 0.818 10.823 -7.935 135 HG12 ILE 22 1HG1 ILE 22 -0.936 9.529 -5.842 136 HG13 ILE 22 2HG1 ILE 22 -0.606 11.257 -5.896 137 HG21 ILE 22 1HG2 ILE 22 -0.312 8.548 -8.308 138 HG22 ILE 22 2HG2 ILE 22 1.427 8.665 -8.572 139 HG23 ILE 22 3HG2 ILE 22 0.808 7.949 -7.084 140 HD11 ILE 22 1HD1 ILE 22 -2.004 9.624 -7.998 141 HD12 ILE 22 2HD1 ILE 22 -2.727 10.816 -6.917 142 HD13 ILE 22 3HD1 ILE 22 -1.586 11.330 -8.160 143 H GLN 23 H GLN 23 0.604 10.587 -3.954 144 HA GLN 23 HA GLN 23 1.374 13.428 -3.849 145 HB2 GLN 23 1HB GLN 23 -1.132 12.726 -4.325 146 HB3 GLN 23 2HB GLN 23 -1.165 12.505 -2.580 147 HG2 GLN 23 1HG GLN 23 -1.922 14.749 -3.464 148 HG3 GLN 23 2HG GLN 23 -0.724 14.767 -2.171 149 HE21 GLN 23 1HE2 GLN 23 0.994 15.993 -2.460 150 HE22 GLN 23 2HE2 GLN 23 1.560 16.608 -3.971 151 H LYS 24 H LYS 24 1.986 14.252 -1.880 152 HA LYS 24 HA LYS 24 3.036 12.427 0.016 153 HB2 LYS 24 1HB LYS 24 3.895 14.760 -0.527 154 HB3 LYS 24 2HB LYS 24 2.583 15.375 0.469 155 HG2 LYS 24 1HG LYS 24 3.464 14.209 2.401 156 HG3 LYS 24 2HG LYS 24 4.745 13.502 1.413 157 HD2 LYS 24 1HD LYS 24 5.859 15.522 1.184 158 HD3 LYS 24 2HD LYS 24 4.414 16.474 1.539 159 HE2 LYS 24 1HE LYS 24 4.637 16.217 3.805 160 HE3 LYS 24 2HE LYS 24 5.485 14.679 3.657 161 HZ1 LYS 24 1HZ LYS 24 7.427 15.915 2.837 162 HZ2 LYS 24 2HZ LYS 24 6.997 16.362 4.411 163 HZ3 LYS 24 3HZ LYS 24 6.610 17.371 3.110 164 H ARG 25 H ARG 25 2.280 11.730 1.946 165 HA ARG 25 HA ARG 25 -0.465 12.521 2.650 166 HB2 ARG 25 1HB ARG 25 0.218 10.065 2.085 167 HB3 ARG 25 2HB ARG 25 0.882 10.063 3.714 168 HG2 ARG 25 1HG ARG 25 -1.966 10.806 3.109 169 HG3 ARG 25 2HG ARG 25 -1.450 9.157 3.469 170 HD2 ARG 25 1HD ARG 25 -0.497 10.003 5.614 171 HD3 ARG 25 2HD ARG 25 -1.215 11.573 5.256 172 HE ARG 25 HE ARG 25 -2.589 9.186 6.135 173 HH11 ARG 25 2HH1 ARG 25 -2.866 12.331 4.668 174 HH12 ARG 25 1HH1 ARG 25 -4.543 12.512 5.065 175 HH21 ARG 25 2HH2 ARG 25 -4.796 9.413 6.663 176 HH22 ARG 25 1HH2 ARG 25 -5.639 10.852 6.201 177 H VAL 26 H VAL 26 -0.727 13.731 4.398 178 HA VAL 26 HA VAL 26 1.320 13.607 6.518 179 HB VAL 26 HB VAL 26 -0.259 16.033 5.650 180 HG11 VAL 26 1HG1 VAL 26 0.088 16.134 8.010 181 HG12 VAL 26 2HG1 VAL 26 1.775 15.642 7.839 182 HG13 VAL 26 3HG1 VAL 26 1.251 17.221 7.252 183 HG21 VAL 26 1HG2 VAL 26 1.615 15.264 4.141 184 HG22 VAL 26 2HG2 VAL 26 1.758 16.907 4.765 185 HG23 VAL 26 3HG2 VAL 26 2.716 15.607 5.476 186 HA PRO 27 HA PRO 27 -2.554 12.300 8.542 187 HB2 PRO 27 1HB PRO 27 -1.297 10.856 10.467 188 HB3 PRO 27 2HB PRO 27 -1.630 10.220 8.852 189 HG2 PRO 27 1HG PRO 27 0.908 11.366 9.951 190 HG3 PRO 27 2HG PRO 27 0.676 9.931 8.935 191 HD2 PRO 27 1HD PRO 27 1.499 12.308 7.933 192 HD3 PRO 27 2HD PRO 27 0.500 11.174 7.001 193 H CYS 28 H CYS 28 -3.430 12.788 10.614 194 HA CYS 28 HA CYS 28 -2.242 15.145 11.815 195 HB2 CYS 28 1HB CYS 28 -4.909 13.825 11.884 196 HB3 CYS 28 2HB CYS 28 -4.457 14.809 13.270 197 HG CYS 28 HG CYS 28 -5.232 17.003 12.210 198 H ALA 29 H ALA 29 -2.376 15.320 14.268 199 HA ALA 29 HA ALA 29 -0.670 13.384 15.411 200 HB1 ALA 29 1HB ALA 29 -1.322 14.615 17.582 201 HB2 ALA 29 2HB ALA 29 -0.458 15.506 16.329 202 HB3 ALA 29 3HB ALA 29 -2.200 15.709 16.513 203 H TYR 30 H TYR 30 -4.075 14.159 16.144 204 HA TYR 30 HA TYR 30 -4.511 12.087 17.960 205 HB2 TYR 30 1HB TYR 30 -6.943 12.385 17.353 206 HB3 TYR 30 2HB TYR 30 -6.106 13.858 17.829 207 HD1 TYR 30 2HD TYR 30 -5.433 15.507 16.083 208 HD2 TYR 30 1HD TYR 30 -7.884 12.148 15.183 209 HE1 TYR 30 2HE TYR 30 -6.132 16.587 13.987 210 HE2 TYR 30 1HE TYR 30 -8.589 13.218 13.083 211 HH TYR 30 HH TYR 30 -7.247 15.250 11.513 212 H ASP 31 H ASP 31 -4.222 12.025 14.537 213 HA ASP 31 HA ASP 31 -5.513 9.427 14.284 214 HB2 ASP 31 1HB ASP 31 -5.666 11.334 12.559 215 HB3 ASP 31 2HB ASP 31 -4.029 10.873 12.098 216 H LYS 32 H LYS 32 -4.458 7.572 14.470 217 HA LYS 32 HA LYS 32 -1.522 7.599 14.227 218 HB2 LYS 32 1HB LYS 32 -3.375 6.166 16.079 219 HB3 LYS 32 2HB LYS 32 -1.866 5.382 15.631 220 HG2 LYS 32 1HG LYS 32 -1.372 6.498 17.613 221 HG3 LYS 32 2HG LYS 32 -0.729 7.553 16.352 222 HD2 LYS 32 1HD LYS 32 -2.959 8.783 16.475 223 HD3 LYS 32 2HD LYS 32 -3.243 7.887 17.969 224 HE2 LYS 32 1HE LYS 32 -0.909 8.778 18.654 225 HE3 LYS 32 2HE LYS 32 -1.162 9.955 17.366 226 HZ1 LYS 32 1HZ LYS 32 -2.237 11.133 18.898 227 HZ2 LYS 32 2HZ LYS 32 -2.329 9.835 19.979 228 HZ3 LYS 32 3HZ LYS 32 -3.494 10.008 18.764 229 H THR 33 H THR 33 -4.490 6.045 13.278 230 HA THR 33 HA THR 33 -3.300 3.768 12.043 231 HB THR 33 HB THR 33 -5.526 3.544 10.890 232 HG1 THR 33 1HG THR 33 -5.869 5.956 11.121 233 HG21 THR 33 1HG2 THR 33 -5.091 2.461 13.039 234 HG22 THR 33 2HG2 THR 33 -6.763 3.012 12.942 235 HG23 THR 33 3HG2 THR 33 -5.587 3.925 13.886 236 H ALA 34 H ALA 34 -3.849 7.043 11.074 237 HA ALA 34 HA ALA 34 -3.795 6.678 8.267 238 HB1 ALA 34 1HB ALA 34 -4.646 8.718 9.298 239 HB2 ALA 34 2HB ALA 34 -3.029 9.103 9.889 240 HB3 ALA 34 3HB ALA 34 -3.352 9.078 8.155 241 H LEU 35 H LEU 35 -2.154 5.709 7.260 242 HA LEU 35 HA LEU 35 0.524 5.733 8.251 243 HB2 LEU 35 1HB LEU 35 -0.775 4.014 6.728 244 HB3 LEU 35 2HB LEU 35 -0.098 5.000 5.434 245 HG LEU 35 HG LEU 35 1.421 3.430 7.513 246 HD11 LEU 35 1HD1 LEU 35 0.320 2.424 5.335 247 HD12 LEU 35 2HD1 LEU 35 1.923 1.927 5.876 248 HD13 LEU 35 3HD1 LEU 35 1.757 3.112 4.580 249 HD21 LEU 35 1HD2 LEU 35 2.859 5.181 7.276 250 HD22 LEU 35 2HD2 LEU 35 2.255 5.608 5.674 251 HD23 LEU 35 3HD2 LEU 35 3.339 4.230 5.870 252 H ALA 36 H ALA 36 2.208 7.001 7.717 253 HA ALA 36 HA ALA 36 1.667 9.269 5.948 254 HB1 ALA 36 1HB ALA 36 3.042 10.501 7.236 255 HB2 ALA 36 2HB ALA 36 2.754 9.226 8.420 256 HB3 ALA 36 3HB ALA 36 4.210 9.193 7.425 257 H LEU 37 H LEU 37 2.801 9.676 4.112 258 HA LEU 37 HA LEU 37 5.111 8.014 3.457 259 HB2 LEU 37 1HB LEU 37 2.788 8.321 1.566 260 HB3 LEU 37 2HB LEU 37 4.246 7.362 1.319 261 HG LEU 37 HG LEU 37 2.293 6.751 3.521 262 HD11 LEU 37 1HD1 LEU 37 1.491 4.953 1.898 263 HD12 LEU 37 2HD1 LEU 37 2.207 5.949 0.632 264 HD13 LEU 37 3HD1 LEU 37 0.913 6.599 1.639 265 HD21 LEU 37 1HD2 LEU 37 4.206 4.953 2.050 266 HD22 LEU 37 2HD2 LEU 37 3.328 4.616 3.542 267 HD23 LEU 37 3HD2 LEU 37 4.627 5.810 3.533 268 H GLU 38 H GLU 38 6.222 8.787 1.464 269 HA GLU 38 HA GLU 38 5.895 11.701 1.170 270 HB2 GLU 38 1HB GLU 38 7.964 11.426 2.230 271 HB3 GLU 38 2HB GLU 38 8.353 9.984 1.302 272 HG2 GLU 38 1HG GLU 38 9.074 11.169 -0.509 273 HG3 GLU 38 2HG GLU 38 8.043 12.554 -0.154 274 H VAL 39 H VAL 39 5.949 12.590 -0.860 275 HA VAL 39 HA VAL 39 4.897 11.344 -3.008 276 HB VAL 39 HB VAL 39 7.051 13.454 -3.207 277 HG11 VAL 39 1HG1 VAL 39 6.714 12.688 -5.379 278 HG12 VAL 39 2HG1 VAL 39 4.988 12.422 -5.120 279 HG13 VAL 39 3HG1 VAL 39 5.618 14.064 -5.259 280 HG21 VAL 39 1HG2 VAL 39 4.925 14.934 -3.383 281 HG22 VAL 39 2HG2 VAL 39 4.135 13.593 -2.554 282 HG23 VAL 39 3HG2 VAL 39 5.493 14.423 -1.794 283 H GLY 40 H GLY 40 5.485 9.425 -3.816 284 HA2 GLY 40 1HA GLY 40 6.822 8.218 -5.366 285 HA3 GLY 40 2HA GLY 40 8.210 9.176 -4.873 286 H ASP 41 H ASP 41 5.952 7.559 -2.707 287 HA ASP 41 HA ASP 41 8.174 5.844 -1.813 288 HB2 ASP 41 1HB ASP 41 5.998 7.260 -0.337 289 HB3 ASP 41 2HB ASP 41 6.591 5.732 0.309 290 H ILE 42 H ILE 42 7.971 3.766 -2.279 291 HA ILE 42 HA ILE 42 5.617 2.654 -3.389 292 HB ILE 42 HB ILE 42 8.022 1.216 -2.261 293 HG12 ILE 42 1HG1 ILE 42 8.502 2.882 -4.077 294 HG13 ILE 42 2HG1 ILE 42 8.911 1.221 -4.493 295 HG21 ILE 42 1HG2 ILE 42 5.724 0.021 -2.760 296 HG22 ILE 42 2HG2 ILE 42 6.311 0.100 -4.421 297 HG23 ILE 42 3HG2 ILE 42 7.261 -0.730 -3.188 298 HD11 ILE 42 1HD1 ILE 42 7.288 1.074 -6.076 299 HD12 ILE 42 2HD1 ILE 42 6.231 2.228 -5.261 300 HD13 ILE 42 3HD1 ILE 42 7.632 2.802 -6.163 301 H VAL 43 H VAL 43 3.862 1.911 -2.412 302 HA VAL 43 HA VAL 43 4.002 1.293 0.461 303 HB VAL 43 HB VAL 43 1.520 1.874 -1.155 304 HG11 VAL 43 1HG1 VAL 43 0.710 0.839 0.706 305 HG12 VAL 43 2HG1 VAL 43 2.093 1.300 1.701 306 HG13 VAL 43 3HG1 VAL 43 0.837 2.482 1.333 307 HG21 VAL 43 1HG2 VAL 43 3.287 3.711 0.443 308 HG22 VAL 43 2HG2 VAL 43 2.790 3.869 -1.242 309 HG23 VAL 43 3HG2 VAL 43 1.612 4.098 0.050 310 H LYS 44 H LYS 44 4.493 -0.841 0.561 311 HA LYS 44 HA LYS 44 3.278 -2.768 -1.201 312 HB2 LYS 44 1HB LYS 44 5.518 -3.216 -0.503 313 HB3 LYS 44 2HB LYS 44 5.096 -3.022 1.193 314 HG2 LYS 44 1HG LYS 44 3.483 -5.028 0.700 315 HG3 LYS 44 2HG LYS 44 4.600 -5.315 -0.637 316 HD2 LYS 44 1HD LYS 44 6.469 -5.238 1.042 317 HD3 LYS 44 2HD LYS 44 5.239 -5.214 2.307 318 HE2 LYS 44 1HE LYS 44 4.525 -7.372 1.826 319 HE3 LYS 44 2HE LYS 44 5.209 -7.341 0.202 320 HZ1 LYS 44 1HZ LYS 44 6.457 -8.739 1.799 321 HZ2 LYS 44 2HZ LYS 44 6.835 -7.349 2.685 322 HZ3 LYS 44 3HZ LYS 44 7.397 -7.519 1.098 323 H VAL 45 H VAL 45 1.191 -3.240 -0.941 324 HA VAL 45 HA VAL 45 0.140 -3.525 1.794 325 HB VAL 45 HB VAL 45 -1.202 -1.934 0.747 326 HG11 VAL 45 1HG1 VAL 45 -2.204 -2.684 -1.620 327 HG12 VAL 45 2HG1 VAL 45 -0.709 -1.761 -1.458 328 HG13 VAL 45 3HG1 VAL 45 -0.647 -3.508 -1.693 329 HG21 VAL 45 1HG2 VAL 45 -3.334 -2.893 0.668 330 HG22 VAL 45 2HG2 VAL 45 -2.727 -4.414 0.013 331 HG23 VAL 45 3HG2 VAL 45 -2.408 -3.988 1.695 332 H THR 46 H THR 46 -0.765 -5.406 2.459 333 HA THR 46 HA THR 46 -0.610 -7.672 0.588 334 HB THR 46 HB THR 46 -0.507 -9.119 2.586 335 HG1 THR 46 1HG THR 46 -0.283 -6.693 4.065 336 HG21 THR 46 1HG2 THR 46 1.561 -6.917 2.629 337 HG22 THR 46 2HG2 THR 46 1.567 -8.298 1.533 338 HG23 THR 46 3HG2 THR 46 1.756 -8.549 3.268 339 H ARG 47 H ARG 47 -2.668 -6.028 2.913 340 HA ARG 47 HA ARG 47 -4.912 -7.730 2.043 341 HB2 ARG 47 1HB ARG 47 -4.199 -6.603 4.716 342 HB3 ARG 47 2HB ARG 47 -5.900 -6.798 4.312 343 HG2 ARG 47 1HG ARG 47 -3.906 -9.036 4.102 344 HG3 ARG 47 2HG ARG 47 -4.832 -8.699 5.566 345 HD2 ARG 47 1HD ARG 47 -6.256 -8.996 2.960 346 HD3 ARG 47 2HD ARG 47 -5.698 -10.437 3.809 347 HE ARG 47 HE ARG 47 -7.103 -8.793 5.603 348 HH11 ARG 47 2HH1 ARG 47 -7.647 -10.830 2.832 349 HH12 ARG 47 1HH1 ARG 47 -9.268 -11.237 3.286 350 HH21 ARG 47 2HH2 ARG 47 -9.238 -9.321 6.211 351 HH22 ARG 47 1HH2 ARG 47 -10.173 -10.377 5.207 352 H MET 48 H MET 48 -6.564 -6.752 1.057 353 HA MET 48 HA MET 48 -6.713 -3.812 1.201 354 HB2 MET 48 1HB MET 48 -6.942 -5.694 -1.101 355 HB3 MET 48 2HB MET 48 -7.926 -4.237 -1.122 356 HG2 MET 48 1HG MET 48 -6.051 -2.835 -1.131 357 HG3 MET 48 2HG MET 48 -4.970 -4.139 -0.647 358 HE1 MET 48 1HE MET 48 -4.372 -2.752 -4.489 359 HE2 MET 48 2HE MET 48 -5.416 -1.878 -3.368 360 HE3 MET 48 3HE MET 48 -3.851 -2.485 -2.825 361 H ASN 49 H ASN 49 -8.304 -3.484 2.663 362 HA ASN 49 HA ASN 49 -10.570 -5.115 3.009 363 HB2 ASN 49 1HB ASN 49 -10.235 -2.193 3.723 364 HB3 ASN 49 2HB ASN 49 -11.453 -3.283 4.377 365 HD21 ASN 49 1HD2 ASN 49 -9.074 -1.729 5.484 366 HD22 ASN 49 2HD2 ASN 49 -8.245 -2.894 6.453 367 H ILE 50 H ILE 50 -12.754 -4.763 2.451 368 HA ILE 50 HA ILE 50 -13.169 -3.903 -0.212 369 HB ILE 50 HB ILE 50 -15.220 -4.464 1.933 370 HG12 ILE 50 1HG1 ILE 50 -14.339 -6.303 -0.287 371 HG13 ILE 50 2HG1 ILE 50 -13.562 -6.309 1.292 372 HG21 ILE 50 1HG2 ILE 50 -16.038 -4.981 -0.786 373 HG22 ILE 50 2HG2 ILE 50 -16.820 -4.007 0.458 374 HG23 ILE 50 3HG2 ILE 50 -15.574 -3.294 -0.566 375 HD11 ILE 50 1HD1 ILE 50 -16.497 -6.781 0.838 376 HD12 ILE 50 2HD1 ILE 50 -15.287 -8.051 1.025 377 HD13 ILE 50 3HD1 ILE 50 -15.615 -6.941 2.356 378 H ASN 51 H ASN 51 -13.901 -2.444 2.927 379 HA ASN 51 HA ASN 51 -15.473 -0.324 2.233 380 HB2 ASN 51 1HB ASN 51 -15.091 -0.394 4.500 381 HB3 ASN 51 2HB ASN 51 -13.370 -0.715 4.309 382 HD21 ASN 51 1HD2 ASN 51 -12.111 0.875 4.913 383 HD22 ASN 51 2HD2 ASN 51 -12.498 2.559 4.879 384 H GLY 52 H GLY 52 -11.905 -0.336 2.201 385 HA2 GLY 52 1HA GLY 52 -11.365 0.837 -0.152 386 HA3 GLY 52 2HA GLY 52 -11.859 2.216 0.819 387 H GLN 53 H GLN 53 -10.766 1.509 3.280 388 HA GLN 53 HA GLN 53 -8.049 2.276 2.870 389 HB2 GLN 53 1HB GLN 53 -9.802 1.769 5.218 390 HB3 GLN 53 2HB GLN 53 -8.064 1.694 5.475 391 HG2 GLN 53 1HG GLN 53 -7.761 3.926 5.028 392 HG3 GLN 53 2HG GLN 53 -9.227 4.039 4.055 393 HE21 GLN 53 1HE2 GLN 53 -9.159 6.018 5.603 394 HE22 GLN 53 2HE2 GLN 53 -10.085 5.837 7.050 395 H TRP 54 H TRP 54 -6.304 1.039 2.654 396 HA TRP 54 HA TRP 54 -6.566 -1.836 3.237 397 HB2 TRP 54 1HB TRP 54 -4.473 -0.675 1.418 398 HB3 TRP 54 2HB TRP 54 -5.115 -2.315 1.459 399 HD1 TRP 54 HD TRP 54 -8.221 -1.600 1.281 400 HE1 TRP 54 1HE TRP 54 -9.182 -0.717 -0.937 401 HE3 TRP 54 3HE TRP 54 -3.899 0.099 -0.857 402 HZ2 TRP 54 2HZ TRP 54 -8.234 0.533 -3.283 403 HZ3 TRP 54 3HZ TRP 54 -4.013 1.125 -3.090 404 HH2 TRP 54 HH TRP 54 -6.136 1.337 -4.277 405 H GLU 55 H GLU 55 -4.535 -2.935 3.888 406 HA GLU 55 HA GLU 55 -3.046 -1.232 5.763 407 HB2 GLU 55 1HB GLU 55 -4.402 -3.406 6.407 408 HB3 GLU 55 2HB GLU 55 -2.937 -4.215 5.867 409 HG2 GLU 55 1HG GLU 55 -1.633 -2.894 7.472 410 HG3 GLU 55 2HG GLU 55 -3.120 -2.133 8.033 411 H GLY 56 H GLY 56 -1.081 -0.639 5.146 412 HA2 GLY 56 1HA GLY 56 0.574 -2.587 3.681 413 HA3 GLY 56 2HA GLY 56 0.429 -0.937 3.093 414 H GLU 57 H GLU 57 2.795 -2.446 3.998 415 HA GLU 57 HA GLU 57 3.568 -0.886 6.363 416 HB2 GLU 57 1HB GLU 57 3.837 -3.394 6.372 417 HB3 GLU 57 2HB GLU 57 5.055 -3.201 5.119 418 HG2 GLU 57 1HG GLU 57 5.364 -1.639 7.624 419 HG3 GLU 57 2HG GLU 57 5.693 -3.370 7.669 420 H VAL 58 H VAL 58 4.954 0.752 6.197 421 HA VAL 58 HA VAL 58 6.853 0.860 3.989 422 HB VAL 58 HB VAL 58 4.810 3.028 4.485 423 HG11 VAL 58 1HG1 VAL 58 6.221 4.523 3.650 424 HG12 VAL 58 2HG1 VAL 58 7.488 3.294 3.638 425 HG13 VAL 58 3HG1 VAL 58 6.470 3.526 2.216 426 HG21 VAL 58 1HG2 VAL 58 4.261 0.961 3.056 427 HG22 VAL 58 2HG2 VAL 58 3.947 2.555 2.370 428 HG23 VAL 58 3HG2 VAL 58 5.382 1.653 1.882 429 H ASN 59 H ASN 59 8.759 1.658 4.624 430 HA ASN 59 HA ASN 59 10.387 2.414 6.030 431 HB2 ASN 59 1HB ASN 59 8.348 4.560 6.654 432 HB3 ASN 59 2HB ASN 59 10.094 4.682 6.846 433 HD21 ASN 59 1HD2 ASN 59 7.698 5.732 5.015 434 HD22 ASN 59 2HD2 ASN 59 8.487 5.877 3.485 435 H GLY 60 H GLY 60 8.657 0.431 7.145 436 HA2 GLY 60 1HA GLY 60 8.463 -0.616 9.190 437 HA3 GLY 60 2HA GLY 60 9.362 0.717 9.900 438 H ARG 61 H ARG 61 6.532 1.452 8.066 439 HA ARG 61 HA ARG 61 4.992 1.798 10.551 440 HB2 ARG 61 1HB ARG 61 5.353 3.753 8.284 441 HB3 ARG 61 2HB ARG 61 4.030 3.877 9.436 442 HG2 ARG 61 1HG ARG 61 6.873 3.751 10.362 443 HG3 ARG 61 2HG ARG 61 6.146 5.270 9.837 444 HD2 ARG 61 1HD ARG 61 4.465 5.130 11.528 445 HD3 ARG 61 2HD ARG 61 4.949 3.488 11.950 446 HE ARG 61 HE ARG 61 6.564 4.370 13.295 447 HH11 ARG 61 2HH1 ARG 61 5.595 6.790 10.988 448 HH12 ARG 61 1HH1 ARG 61 6.559 8.042 11.700 449 HH21 ARG 61 2HH2 ARG 61 7.838 6.009 14.241 450 HH22 ARG 61 1HH2 ARG 61 7.835 7.596 13.549 451 H LYS 62 H LYS 62 3.119 0.761 10.503 452 HA LYS 62 HA LYS 62 1.932 0.123 7.883 453 HB2 LYS 62 1HB LYS 62 1.631 -1.361 10.501 454 HB3 LYS 62 2HB LYS 62 0.896 -1.818 8.970 455 HG2 LYS 62 1HG LYS 62 2.860 -2.590 8.095 456 HG3 LYS 62 2HG LYS 62 3.851 -1.515 9.084 457 HD2 LYS 62 1HD LYS 62 4.262 -3.534 10.100 458 HD3 LYS 62 2HD LYS 62 2.893 -2.960 11.055 459 HE2 LYS 62 1HE LYS 62 2.392 -4.609 8.618 460 HE3 LYS 62 2HE LYS 62 2.931 -5.401 10.098 461 HZ1 LYS 62 1HZ LYS 62 1.034 -4.683 11.245 462 HZ2 LYS 62 2HZ LYS 62 0.453 -5.219 9.750 463 HZ3 LYS 62 3HZ LYS 62 0.612 -3.562 10.050 464 H GLY 63 H GLY 63 0.243 1.372 7.434 465 HA2 GLY 63 1HA GLY 63 -1.854 1.694 9.429 466 HA3 GLY 63 2HA GLY 63 -1.095 3.176 8.865 467 H LEU 64 H LEU 64 -3.737 2.962 8.492 468 HA LEU 64 HA LEU 64 -4.311 1.863 5.877 469 HB2 LEU 64 1HB LEU 64 -5.998 3.471 7.789 470 HB3 LEU 64 2HB LEU 64 -6.578 2.784 6.273 471 HG LEU 64 HG LEU 64 -5.610 1.239 8.678 472 HD11 LEU 64 1HD1 LEU 64 -8.223 2.212 7.803 473 HD12 LEU 64 2HD1 LEU 64 -7.689 1.650 9.387 474 HD13 LEU 64 3HD1 LEU 64 -8.181 0.485 8.158 475 HD21 LEU 64 1HD2 LEU 64 -5.024 -0.091 6.855 476 HD22 LEU 64 2HD2 LEU 64 -6.437 0.400 5.920 477 HD23 LEU 64 3HD2 LEU 64 -6.626 -0.679 7.302 478 H PHE 65 H PHE 65 -4.173 2.925 4.015 479 HA PHE 65 HA PHE 65 -4.053 5.868 4.088 480 HB2 PHE 65 1HB PHE 65 -2.523 5.729 2.125 481 HB3 PHE 65 2HB PHE 65 -1.844 5.023 3.588 482 HD1 PHE 65 1HD PHE 65 -1.759 2.552 3.834 483 HD2 PHE 65 2HD PHE 65 -2.875 4.435 0.184 484 HE1 PHE 65 1HE PHE 65 -1.332 0.453 2.625 485 HE2 PHE 65 2HE PHE 65 -2.451 2.338 -1.031 486 HZ PHE 65 HZ PHE 65 -1.679 0.343 0.189 487 HA PRO 66 HA PRO 66 -7.435 5.841 1.276 488 HB2 PRO 66 1HB PRO 66 -7.070 8.271 0.122 489 HB3 PRO 66 2HB PRO 66 -7.673 8.072 1.771 490 HG2 PRO 66 1HG PRO 66 -4.903 8.710 0.831 491 HG3 PRO 66 2HG PRO 66 -5.818 9.415 2.177 492 HD2 PRO 66 1HD PRO 66 -3.917 7.521 2.540 493 HD3 PRO 66 2HD PRO 66 -5.347 7.652 3.585 494 H PHE 67 H PHE 67 -7.552 4.689 -0.537 495 HA PHE 67 HA PHE 67 -5.417 4.251 -2.298 496 HB2 PHE 67 1HB PHE 67 -6.994 3.074 -3.688 497 HB3 PHE 67 2HB PHE 67 -7.393 2.746 -2.005 498 HD1 PHE 67 1HD PHE 67 -9.373 3.769 -0.979 499 HD2 PHE 67 2HD PHE 67 -8.488 4.262 -5.113 500 HE1 PHE 67 1HE PHE 67 -11.682 4.520 -1.380 501 HE2 PHE 67 2HE PHE 67 -10.795 5.015 -5.521 502 HZ PHE 67 HZ PHE 67 -12.395 5.145 -3.653 503 H THR 68 H THR 68 -7.361 6.953 -1.962 504 HA THR 68 HA THR 68 -7.338 7.749 -4.747 505 HB THR 68 HB THR 68 -8.281 9.911 -3.843 506 HG1 THR 68 1HG THR 68 -7.340 9.248 -1.624 507 HG21 THR 68 1HG2 THR 68 -10.384 8.547 -2.858 508 HG22 THR 68 2HG2 THR 68 -9.526 7.236 -3.669 509 HG23 THR 68 3HG2 THR 68 -10.023 8.662 -4.580 510 H HIS 69 H HIS 69 -5.186 7.869 -2.160 511 HA HIS 69 HA HIS 69 -3.847 10.292 -3.102 512 HB2 HIS 69 1HB HIS 69 -3.560 8.568 -0.656 513 HB3 HIS 69 2HB HIS 69 -2.299 9.713 -1.105 514 HD1 HIS 69 1HD HIS 69 -5.922 10.550 -1.572 515 HD2 HIS 69 2HD HIS 69 -2.817 11.391 1.057 516 HE1 HIS 69 1HE HIS 69 -6.753 12.437 -0.132 517 HE2 HIS 69 2HE HIS 69 -4.826 12.985 1.394 518 H VAL 70 H VAL 70 -3.659 6.881 -3.350 519 HA VAL 70 HA VAL 70 -0.973 7.097 -4.548 520 HB VAL 70 HB VAL 70 -0.549 4.798 -3.967 521 HG11 VAL 70 1HG1 VAL 70 -1.577 5.565 -1.349 522 HG12 VAL 70 2HG1 VAL 70 0.084 5.309 -1.885 523 HG13 VAL 70 3HG1 VAL 70 -0.703 6.863 -2.163 524 HG21 VAL 70 1HG2 VAL 70 -3.433 4.761 -3.519 525 HG22 VAL 70 2HG2 VAL 70 -2.332 3.443 -3.920 526 HG23 VAL 70 3HG2 VAL 70 -2.513 3.962 -2.244 527 H LYS 71 H LYS 71 -0.545 5.493 -6.281 528 HA LYS 71 HA LYS 71 -2.978 4.866 -7.819 529 HB2 LYS 71 1HB LYS 71 -1.637 6.859 -8.667 530 HB3 LYS 71 2HB LYS 71 -0.364 5.713 -9.064 531 HG2 LYS 71 1HG LYS 71 -2.212 4.479 -10.384 532 HG3 LYS 71 2HG LYS 71 -3.079 6.013 -10.276 533 HD2 LYS 71 1HD LYS 71 -0.244 5.891 -11.252 534 HD3 LYS 71 2HD LYS 71 -1.601 5.588 -12.340 535 HE2 LYS 71 1HE LYS 71 -2.544 7.797 -11.634 536 HE3 LYS 71 2HE LYS 71 -1.045 8.091 -10.754 537 HZ1 LYS 71 1HZ LYS 71 -1.442 8.837 -13.274 538 HZ2 LYS 71 2HZ LYS 71 -0.748 7.317 -13.537 539 HZ3 LYS 71 3HZ LYS 71 0.087 8.484 -12.641 540 H ILE 72 H ILE 72 -3.124 2.842 -8.577 541 HA ILE 72 HA ILE 72 -1.093 0.936 -7.854 542 HB ILE 72 HB ILE 72 -3.621 0.488 -9.443 543 HG12 ILE 72 1HG1 ILE 72 -3.745 1.456 -7.019 544 HG13 ILE 72 2HG1 ILE 72 -4.775 0.099 -7.463 545 HG21 ILE 72 1HG2 ILE 72 -1.722 -1.394 -8.060 546 HG22 ILE 72 2HG2 ILE 72 -3.332 -1.858 -8.605 547 HG23 ILE 72 3HG2 ILE 72 -2.124 -1.331 -9.776 548 HD11 ILE 72 1HD1 ILE 72 -2.130 -0.187 -6.064 549 HD12 ILE 72 2HD1 ILE 72 -3.690 -0.114 -5.243 550 HD13 ILE 72 3HD1 ILE 72 -3.336 -1.441 -6.348 551 H PHE 73 H PHE 73 0.459 0.111 -9.103 552 HA PHE 73 HA PHE 73 0.231 0.314 -12.014 553 HB2 PHE 73 1HB PHE 73 2.248 1.431 -12.331 554 HB3 PHE 73 2HB PHE 73 1.582 2.255 -10.925 555 HD1 PHE 73 1HD PHE 73 2.452 1.714 -8.660 556 HD2 PHE 73 2HD PHE 73 4.278 0.236 -12.209 557 HE1 PHE 73 1HE PHE 73 4.499 1.207 -7.392 558 HE2 PHE 73 2HE PHE 73 6.327 -0.274 -10.947 559 HZ PHE 73 HZ PHE 73 6.439 0.211 -8.535 560 H ASP 74 H ASP 74 1.992 -0.959 -13.113 561 HA ASP 74 HA ASP 74 2.387 -3.463 -11.639 562 HB2 ASP 74 1HB ASP 74 3.005 -4.257 -14.055 563 HB3 ASP 74 2HB ASP 74 1.315 -4.011 -13.621 564 HA PRO 75 HA PRO 75 6.714 -2.740 -11.257 565 HB2 PRO 75 1HB PRO 75 7.534 -5.306 -10.920 566 HB3 PRO 75 2HB PRO 75 6.692 -4.393 -9.662 567 HG2 PRO 75 1HG PRO 75 5.606 -6.415 -11.584 568 HG3 PRO 75 2HG PRO 75 5.273 -6.225 -9.852 569 HD2 PRO 75 1HD PRO 75 3.580 -5.332 -11.768 570 HD3 PRO 75 2HD PRO 75 3.765 -4.517 -10.201 571 H GLN 76 H GLN 76 5.469 -5.034 -13.606 572 HA GLN 76 HA GLN 76 6.436 -5.969 -15.483 573 HB2 GLN 76 1HB GLN 76 7.000 -4.248 -17.132 574 HB3 GLN 76 2HB GLN 76 5.544 -3.823 -16.242 575 HG2 GLN 76 1HG GLN 76 6.574 -2.105 -15.107 576 HG3 GLN 76 2HG GLN 76 8.185 -2.783 -15.333 577 HE21 GLN 76 1HE2 GLN 76 8.585 -0.496 -15.937 578 HE22 GLN 76 2HE2 GLN 76 8.350 -0.048 -17.589 579 H ASN 77 H ASN 77 8.162 -6.521 -13.509 580 HA ASN 77 HA ASN 77 10.798 -5.507 -14.062 581 HB2 ASN 77 1HB ASN 77 11.435 -7.431 -12.452 582 HB3 ASN 77 2HB ASN 77 10.502 -6.081 -11.812 583 HD21 ASN 77 1HD2 ASN 77 9.213 -6.887 -10.317 584 HD22 ASN 77 2HD2 ASN 77 8.186 -8.264 -10.502 585 HA PRO 78 HA PRO 78 11.678 -8.342 -17.353 586 HB2 PRO 78 1HB PRO 78 14.339 -7.829 -17.519 587 HB3 PRO 78 2HB PRO 78 13.107 -6.726 -18.143 588 HG2 PRO 78 1HG PRO 78 14.619 -6.614 -15.561 589 HG3 PRO 78 2HG PRO 78 14.229 -5.301 -16.687 590 HD2 PRO 78 1HD PRO 78 12.828 -5.731 -14.410 591 HD3 PRO 78 2HD PRO 78 12.081 -5.079 -15.882 592 H ASP 79 H ASP 79 12.855 -8.511 -14.156 593 HA ASP 79 HA ASP 79 13.395 -11.339 -14.451 594 HB2 ASP 79 1HB ASP 79 15.619 -11.020 -13.175 595 HB3 ASP 79 2HB ASP 79 15.600 -10.693 -14.906 596 H GLU 80 H GLU 80 13.449 -12.466 -12.443 597 HA GLU 80 HA GLU 80 12.148 -10.964 -10.280 598 HB2 GLU 80 1HB GLU 80 10.975 -12.952 -11.271 599 HB3 GLU 80 2HB GLU 80 12.273 -13.960 -10.647 600 HG2 GLU 80 1HG GLU 80 10.679 -12.172 -8.849 601 HG3 GLU 80 2HG GLU 80 10.119 -13.785 -9.287 602 H ASN 81 H ASN 81 13.949 -10.108 -9.256 603 HA ASN 81 HA ASN 81 16.221 -11.671 -8.545 604 HB2 ASN 81 1HB ASN 81 16.548 -9.632 -6.920 605 HB3 ASN 81 2HB ASN 81 16.740 -9.419 -8.657 606 HD21 ASN 81 1HD2 ASN 81 16.316 -7.187 -8.309 607 HD22 ASN 81 2HD2 ASN 81 14.694 -6.623 -8.118 608 H GLU 82 H GLU 82 13.509 -10.359 -6.643 609 HA GLU 82 HA GLU 82 13.908 -12.554 -4.729 610 HB2 GLU 82 1HB GLU 82 14.834 -10.391 -3.858 611 HB3 GLU 82 2HB GLU 82 13.210 -9.723 -3.941 612 HG2 GLU 82 1HG GLU 82 13.723 -10.415 -1.687 613 HG3 GLU 82 2HG GLU 82 12.436 -11.417 -2.356 614 H SER 83 H SER 83 12.024 -13.225 -3.597 615 HA SER 83 HA SER 83 9.544 -12.561 -5.029 616 HB2 SER 83 1HB SER 83 10.492 -14.981 -4.879 617 HB3 SER 83 2HB SER 83 9.862 -14.950 -3.232 618 HG SER 83 HG SER 83 8.223 -14.188 -5.387 619 H GLY 84 H GLY 84 7.532 -12.993 -3.555 620 HA2 GLY 84 1HA GLY 84 7.914 -11.302 -1.185 621 HA3 GLY 84 2HA GLY 84 6.390 -11.579 -2.015 622 HA PRO 85 HA PRO 85 5.287 -14.578 0.982 623 HB2 PRO 85 1HB PRO 85 3.780 -16.284 -0.497 624 HB3 PRO 85 2HB PRO 85 3.229 -14.669 -0.035 625 HG2 PRO 85 1HG PRO 85 4.404 -15.600 -2.626 626 HG3 PRO 85 2HG PRO 85 3.025 -14.520 -2.347 627 HD2 PRO 85 1HD PRO 85 5.488 -13.600 -2.993 628 HD3 PRO 85 2HD PRO 85 4.374 -12.694 -1.949 629 H SER 86 H SER 86 7.462 -15.227 -1.430 630 HA SER 86 HA SER 86 7.847 -18.010 -0.543 631 HB2 SER 86 1HB SER 86 8.384 -16.642 -3.163 632 HB3 SER 86 2HB SER 86 9.288 -18.089 -2.716 633 HG SER 86 HG SER 86 7.016 -18.095 -3.869 634 H SER 87 H SER 87 9.337 -18.071 1.007 635 HA SER 87 HA SER 87 11.554 -16.179 0.991 636 HB2 SER 87 1HB SER 87 12.072 -17.194 3.227 637 HB3 SER 87 2HB SER 87 10.464 -16.478 3.121 638 HG SER 87 HG SER 87 11.218 -19.139 3.374 639 H GLY 88 H GLY 88 13.739 -17.131 1.693 640 HA2 GLY 88 1HA GLY 88 14.305 -19.390 -0.105 641 HA3 GLY 88 2HA GLY 88 15.472 -18.182 0.413 Start of MODEL 4 1 H1 GLY 1 H GLY 1 19.460 -17.316 29.971 2 HA2 GLY 1 1HA GLY 1 17.323 -19.330 29.711 3 HA3 GLY 1 2HA GLY 1 17.219 -17.672 29.140 4 H SER 2 H SER 2 16.458 -19.235 27.282 5 HA SER 2 HA SER 2 18.585 -19.179 25.326 6 HB2 SER 2 1HB SER 2 18.954 -21.390 26.254 7 HB3 SER 2 2HB SER 2 17.243 -21.784 26.087 8 HG SER 2 HG SER 2 19.180 -22.085 24.296 9 H SER 3 H SER 3 17.791 -19.602 23.134 10 HA SER 3 HA SER 3 14.938 -19.694 22.710 11 HB2 SER 3 1HB SER 3 16.497 -17.200 21.989 12 HB3 SER 3 2HB SER 3 14.837 -17.536 21.499 13 HG SER 3 HG SER 3 15.857 -16.976 24.063 14 H GLY 4 H GLY 4 14.377 -19.779 20.411 15 HA2 GLY 4 1HA GLY 4 16.560 -20.164 18.532 16 HA3 GLY 4 2HA GLY 4 15.642 -21.610 18.923 17 H SER 5 H SER 5 15.189 -21.599 16.596 18 HA SER 5 HA SER 5 12.643 -20.348 16.085 19 HB2 SER 5 1HB SER 5 13.235 -19.022 14.223 20 HB3 SER 5 2HB SER 5 14.462 -18.649 15.434 21 HG SER 5 HG SER 5 15.470 -19.039 13.471 22 H SER 6 H SER 6 11.878 -20.948 13.801 23 HA SER 6 HA SER 6 12.849 -23.655 13.150 24 HB2 SER 6 1HB SER 6 10.451 -24.084 12.407 25 HB3 SER 6 2HB SER 6 10.706 -23.936 14.146 26 HG SER 6 HG SER 6 9.979 -21.711 12.569 27 H GLY 7 H GLY 7 13.252 -20.781 12.050 28 HA2 GLY 7 1HA GLY 7 13.845 -20.003 9.959 29 HA3 GLY 7 2HA GLY 7 13.442 -21.584 9.307 30 HA PRO 8 HA PRO 8 10.109 -18.211 8.512 31 HB2 PRO 8 1HB PRO 8 10.938 -17.245 6.114 32 HB3 PRO 8 2HB PRO 8 11.410 -16.521 7.656 33 HG2 PRO 8 1HG PRO 8 12.936 -18.407 5.902 34 HG3 PRO 8 2HG PRO 8 13.508 -16.961 6.756 35 HD2 PRO 8 1HD PRO 8 13.924 -19.467 7.694 36 HD3 PRO 8 2HD PRO 8 13.699 -18.070 8.767 37 H LEU 9 H LEU 9 8.859 -18.050 6.282 38 HA LEU 9 HA LEU 9 9.012 -20.485 4.714 39 HB2 LEU 9 1HB LEU 9 6.822 -19.887 6.647 40 HB3 LEU 9 2HB LEU 9 6.430 -20.704 5.135 41 HG LEU 9 HG LEU 9 8.481 -21.740 7.083 42 HD11 LEU 9 1HD1 LEU 9 5.867 -21.508 7.721 43 HD12 LEU 9 2HD1 LEU 9 6.917 -22.802 8.298 44 HD13 LEU 9 3HD1 LEU 9 5.866 -23.072 6.907 45 HD21 LEU 9 1HD2 LEU 9 8.544 -22.483 4.687 46 HD22 LEU 9 2HD2 LEU 9 6.939 -23.175 4.930 47 HD23 LEU 9 3HD2 LEU 9 8.310 -23.775 5.865 48 HA PRO 10 HA PRO 10 7.677 -17.722 1.561 49 HB2 PRO 10 1HB PRO 10 6.749 -19.527 -0.243 50 HB3 PRO 10 2HB PRO 10 8.471 -19.277 0.067 51 HG2 PRO 10 1HG PRO 10 6.646 -21.407 1.114 52 HG3 PRO 10 2HG PRO 10 8.305 -21.555 0.506 53 HD2 PRO 10 1HD PRO 10 7.722 -21.500 3.150 54 HD3 PRO 10 2HD PRO 10 9.231 -20.835 2.491 55 H SER 11 H SER 11 5.783 -16.978 0.432 56 HA SER 11 HA SER 11 3.361 -17.408 1.977 57 HB2 SER 11 1HB SER 11 4.317 -15.127 1.140 58 HB3 SER 11 2HB SER 11 3.545 -15.561 -0.385 59 HG SER 11 HG SER 11 2.273 -14.305 1.218 60 H THR 12 H THR 12 1.283 -17.739 0.913 61 HA THR 12 HA THR 12 1.536 -19.392 -1.516 62 HB THR 12 HB THR 12 0.974 -20.757 0.448 63 HG1 THR 12 1HG THR 12 -1.121 -21.536 -0.465 64 HG21 THR 12 1HG2 THR 12 -1.141 -20.472 1.612 65 HG22 THR 12 2HG2 THR 12 -1.526 -19.070 0.613 66 HG23 THR 12 3HG2 THR 12 -0.176 -19.002 1.746 67 H GLN 13 H GLN 13 -0.612 -17.246 0.320 68 HA GLN 13 HA GLN 13 -2.719 -17.030 -1.441 69 HB2 GLN 13 1HB GLN 13 -1.499 -14.851 0.262 70 HB3 GLN 13 2HB GLN 13 -3.088 -14.772 -0.486 71 HG2 GLN 13 1HG GLN 13 -3.609 -15.421 1.649 72 HG3 GLN 13 2HG GLN 13 -3.524 -16.973 0.818 73 HE21 GLN 13 1HE2 GLN 13 -3.198 -17.871 2.936 74 HE22 GLN 13 2HE2 GLN 13 -1.621 -17.857 3.643 75 H ASN 14 H ASN 14 -3.222 -14.873 -2.656 76 HA ASN 14 HA ASN 14 -1.629 -14.790 -4.943 77 HB2 ASN 14 1HB ASN 14 -3.408 -12.533 -4.015 78 HB3 ASN 14 2HB ASN 14 -2.992 -12.966 -5.670 79 HD21 ASN 14 1HD2 ASN 14 -4.306 -14.275 -6.744 80 HD22 ASN 14 2HD2 ASN 14 -5.613 -15.169 -6.053 81 H GLY 15 H GLY 15 -0.077 -13.371 -5.704 82 HA2 GLY 15 1HA GLY 15 1.839 -12.416 -3.966 83 HA3 GLY 15 2HA GLY 15 1.634 -11.840 -5.613 84 HA PRO 16 HA PRO 16 0.326 -8.681 -2.221 85 HB2 PRO 16 1HB PRO 16 2.680 -7.415 -1.745 86 HB3 PRO 16 2HB PRO 16 2.119 -8.791 -0.788 87 HG2 PRO 16 1HG PRO 16 4.090 -8.728 -3.041 88 HG3 PRO 16 2HG PRO 16 4.177 -9.606 -1.503 89 HD2 PRO 16 1HD PRO 16 3.448 -10.799 -3.822 90 HD3 PRO 16 2HD PRO 16 2.800 -11.298 -2.246 91 H VAL 17 H VAL 17 -0.395 -6.774 -2.975 92 HA VAL 17 HA VAL 17 0.503 -5.894 -5.593 93 HB VAL 17 HB VAL 17 -1.697 -4.750 -3.869 94 HG11 VAL 17 1HG1 VAL 17 -2.507 -3.777 -5.963 95 HG12 VAL 17 2HG1 VAL 17 -0.882 -3.209 -5.576 96 HG13 VAL 17 3HG1 VAL 17 -1.115 -4.445 -6.813 97 HG21 VAL 17 1HG2 VAL 17 -1.565 -7.216 -5.320 98 HG22 VAL 17 2HG2 VAL 17 -2.889 -6.562 -4.355 99 HG23 VAL 17 3HG2 VAL 17 -2.758 -6.151 -6.065 100 H PHE 18 H PHE 18 1.492 -3.975 -6.052 101 HA PHE 18 HA PHE 18 2.416 -2.408 -3.735 102 HB2 PHE 18 1HB PHE 18 3.756 -3.212 -6.287 103 HB3 PHE 18 2HB PHE 18 4.235 -1.707 -5.509 104 HD1 PHE 18 2HD PHE 18 3.239 -4.934 -3.961 105 HD2 PHE 18 1HD PHE 18 6.359 -2.129 -4.682 106 HE1 PHE 18 2HE PHE 18 4.714 -6.191 -2.446 107 HE2 PHE 18 1HE PHE 18 7.839 -3.383 -3.168 108 HZ PHE 18 HZ PHE 18 7.017 -5.416 -2.047 109 H ALA 19 H ALA 19 2.087 -0.251 -3.694 110 HA ALA 19 HA ALA 19 1.030 1.045 -6.112 111 HB1 ALA 19 1HB ALA 19 -0.123 1.709 -3.433 112 HB2 ALA 19 2HB ALA 19 -0.807 1.957 -5.041 113 HB3 ALA 19 3HB ALA 19 -0.736 0.335 -4.354 114 H LYS 20 H LYS 20 2.080 2.856 -6.590 115 HA LYS 20 HA LYS 20 4.015 3.934 -4.734 116 HB2 LYS 20 1HB LYS 20 4.812 3.845 -6.938 117 HB3 LYS 20 2HB LYS 20 3.312 4.478 -7.604 118 HG2 LYS 20 1HG LYS 20 3.815 6.666 -6.975 119 HG3 LYS 20 2HG LYS 20 5.048 6.148 -5.822 120 HD2 LYS 20 1HD LYS 20 5.281 5.726 -8.796 121 HD3 LYS 20 2HD LYS 20 5.914 7.150 -7.967 122 HE2 LYS 20 1HE LYS 20 7.277 5.659 -6.538 123 HE3 LYS 20 2HE LYS 20 6.694 4.279 -7.466 124 HZ1 LYS 20 1HZ LYS 20 7.992 6.531 -8.847 125 HZ2 LYS 20 2HZ LYS 20 7.883 4.910 -9.317 126 HZ3 LYS 20 3HZ LYS 20 8.940 5.361 -8.076 127 H ALA 21 H ALA 21 3.846 5.755 -3.564 128 HA ALA 21 HA ALA 21 1.279 7.031 -3.356 129 HB1 ALA 21 1HB ALA 21 3.098 8.514 -1.856 130 HB2 ALA 21 2HB ALA 21 2.031 7.236 -1.275 131 HB3 ALA 21 3HB ALA 21 3.680 6.851 -1.767 132 H ILE 22 H ILE 22 0.634 8.577 -4.693 133 HA ILE 22 HA ILE 22 2.604 10.210 -6.095 134 HB ILE 22 HB ILE 22 0.719 11.007 -7.445 135 HG12 ILE 22 1HG1 ILE 22 -1.043 9.039 -6.000 136 HG13 ILE 22 2HG1 ILE 22 -0.924 10.715 -5.476 137 HG21 ILE 22 1HG2 ILE 22 1.766 8.391 -7.364 138 HG22 ILE 22 2HG2 ILE 22 0.050 8.247 -7.740 139 HG23 ILE 22 3HG2 ILE 22 1.092 9.251 -8.748 140 HD11 ILE 22 1HD1 ILE 22 -1.419 11.061 -8.100 141 HD12 ILE 22 2HD1 ILE 22 -2.281 9.551 -7.801 142 HD13 ILE 22 3HD1 ILE 22 -2.666 10.989 -6.855 143 H GLN 23 H GLN 23 0.321 10.421 -3.516 144 HA GLN 23 HA GLN 23 0.883 13.302 -3.288 145 HB2 GLN 23 1HB GLN 23 -1.706 11.849 -2.749 146 HB3 GLN 23 2HB GLN 23 -1.385 13.485 -2.188 147 HG2 GLN 23 1HG GLN 23 -1.173 12.734 -5.082 148 HG3 GLN 23 2HG GLN 23 -2.703 13.208 -4.346 149 HE21 GLN 23 1HE2 GLN 23 -3.139 15.189 -5.000 150 HE22 GLN 23 2HE2 GLN 23 -2.042 16.524 -4.993 151 H LYS 24 H LYS 24 1.609 13.998 -1.362 152 HA LYS 24 HA LYS 24 2.589 12.204 0.544 153 HB2 LYS 24 1HB LYS 24 3.139 14.733 0.059 154 HB3 LYS 24 2HB LYS 24 1.936 15.021 1.310 155 HG2 LYS 24 1HG LYS 24 3.272 13.480 2.788 156 HG3 LYS 24 2HG LYS 24 4.534 13.532 1.555 157 HD2 LYS 24 1HD LYS 24 5.199 15.214 2.996 158 HD3 LYS 24 2HD LYS 24 4.279 16.112 1.787 159 HE2 LYS 24 1HE LYS 24 2.408 16.305 3.209 160 HE3 LYS 24 2HE LYS 24 3.023 15.077 4.314 161 HZ1 LYS 24 1HZ LYS 24 4.814 16.588 4.926 162 HZ2 LYS 24 2HZ LYS 24 3.303 17.284 5.232 163 HZ3 LYS 24 3HZ LYS 24 4.200 17.770 3.882 164 H ARG 25 H ARG 25 1.853 11.475 2.493 165 HA ARG 25 HA ARG 25 -0.972 12.046 3.103 166 HB2 ARG 25 1HB ARG 25 0.654 9.558 3.199 167 HB3 ARG 25 2HB ARG 25 -0.575 9.767 4.440 168 HG2 ARG 25 1HG ARG 25 -1.154 10.008 1.501 169 HG3 ARG 25 2HG ARG 25 -1.283 8.492 2.396 170 HD2 ARG 25 1HD ARG 25 -2.729 11.008 3.197 171 HD3 ARG 25 2HD ARG 25 -3.425 9.802 2.115 172 HE ARG 25 HE ARG 25 -2.695 8.345 4.272 173 HH11 ARG 25 2HH1 ARG 25 -4.583 11.242 3.871 174 HH12 ARG 25 1HH1 ARG 25 -5.589 10.933 5.247 175 HH21 ARG 25 2HH2 ARG 25 -4.013 7.927 6.086 176 HH22 ARG 25 1HH2 ARG 25 -5.264 9.047 6.507 177 H VAL 26 H VAL 26 -1.399 13.061 4.946 178 HA VAL 26 HA VAL 26 0.647 13.031 7.071 179 HB VAL 26 HB VAL 26 -1.238 15.294 6.394 180 HG11 VAL 26 1HG1 VAL 26 0.602 14.765 8.655 181 HG12 VAL 26 2HG1 VAL 26 0.554 16.410 8.018 182 HG13 VAL 26 3HG1 VAL 26 -0.922 15.651 8.616 183 HG21 VAL 26 1HG2 VAL 26 0.311 15.542 4.745 184 HG22 VAL 26 2HG2 VAL 26 1.169 16.368 6.045 185 HG23 VAL 26 3HG2 VAL 26 1.570 14.698 5.646 186 HA PRO 27 HA PRO 27 -3.021 11.109 8.984 187 HB2 PRO 27 1HB PRO 27 -1.583 9.707 10.811 188 HB3 PRO 27 2HB PRO 27 -1.839 9.146 9.155 189 HG2 PRO 27 1HG PRO 27 0.538 10.527 10.340 190 HG3 PRO 27 2HG PRO 27 0.485 9.148 9.227 191 HD2 PRO 27 1HD PRO 27 0.996 11.673 8.394 192 HD3 PRO 27 2HD PRO 27 0.145 10.488 7.383 193 H CYS 28 H CYS 28 -3.952 11.352 11.070 194 HA CYS 28 HA CYS 28 -3.130 13.772 12.409 195 HB2 CYS 28 1HB CYS 28 -5.480 11.922 12.626 196 HB3 CYS 28 2HB CYS 28 -5.170 13.096 13.898 197 HG CYS 28 HG CYS 28 -4.966 14.997 11.446 198 H ALA 29 H ALA 29 -3.241 13.756 14.892 199 HA ALA 29 HA ALA 29 -1.312 11.784 15.809 200 HB1 ALA 29 1HB ALA 29 -0.935 14.158 16.287 201 HB2 ALA 29 2HB ALA 29 -2.426 14.200 17.229 202 HB3 ALA 29 3HB ALA 29 -1.072 13.207 17.766 203 H TYR 30 H TYR 30 -4.663 12.637 16.274 204 HA TYR 30 HA TYR 30 -4.983 10.916 18.577 205 HB2 TYR 30 1HB TYR 30 -7.460 11.486 18.172 206 HB3 TYR 30 2HB TYR 30 -6.387 12.796 18.650 207 HD1 TYR 30 1HD TYR 30 -8.348 11.365 15.901 208 HD2 TYR 30 2HD TYR 30 -5.832 14.576 17.108 209 HE1 TYR 30 1HE TYR 30 -9.035 12.642 13.914 210 HE2 TYR 30 2HE TYR 30 -6.513 15.863 15.126 211 HH TYR 30 HH TYR 30 -7.966 15.971 13.410 212 H ASP 31 H ASP 31 -4.952 10.539 15.221 213 HA ASP 31 HA ASP 31 -6.734 8.231 15.222 214 HB2 ASP 31 1HB ASP 31 -5.389 9.865 13.109 215 HB3 ASP 31 2HB ASP 31 -5.887 8.220 12.724 216 H LYS 32 H LYS 32 -3.327 8.995 14.580 217 HA LYS 32 HA LYS 32 -1.519 7.610 14.250 218 HB2 LYS 32 1HB LYS 32 -2.818 6.773 16.817 219 HB3 LYS 32 2HB LYS 32 -1.386 5.923 16.250 220 HG2 LYS 32 1HG LYS 32 -0.270 8.193 16.102 221 HG3 LYS 32 2HG LYS 32 -1.651 8.816 17.008 222 HD2 LYS 32 1HD LYS 32 -1.165 7.089 18.759 223 HD3 LYS 32 2HD LYS 32 0.322 6.711 17.885 224 HE2 LYS 32 1HE LYS 32 -0.372 9.471 18.871 225 HE3 LYS 32 2HE LYS 32 0.567 8.314 19.812 226 HZ1 LYS 32 1HZ LYS 32 2.320 9.173 18.772 227 HZ2 LYS 32 2HZ LYS 32 1.377 9.954 17.605 228 HZ3 LYS 32 3HZ LYS 32 1.808 8.331 17.397 229 H THR 33 H THR 33 -4.005 6.736 12.898 230 HA THR 33 HA THR 33 -3.464 3.841 12.773 231 HB THR 33 HB THR 33 -5.795 3.772 11.669 232 HG1 THR 33 1HG THR 33 -6.049 6.220 13.106 233 HG21 THR 33 1HG2 THR 33 -6.409 2.887 13.622 234 HG22 THR 33 2HG2 THR 33 -6.425 4.473 14.392 235 HG23 THR 33 3HG2 THR 33 -4.929 3.542 14.322 236 H ALA 34 H ALA 34 -3.810 6.806 10.972 237 HA ALA 34 HA ALA 34 -3.717 5.555 8.386 238 HB1 ALA 34 1HB ALA 34 -3.948 8.283 9.434 239 HB2 ALA 34 2HB ALA 34 -3.059 8.150 7.915 240 HB3 ALA 34 3HB ALA 34 -4.708 7.535 8.028 241 H LEU 35 H LEU 35 -1.991 5.253 7.063 242 HA LEU 35 HA LEU 35 0.626 5.328 8.279 243 HB2 LEU 35 1HB LEU 35 -0.459 3.571 6.635 244 HB3 LEU 35 2HB LEU 35 0.214 4.646 5.410 245 HG LEU 35 HG LEU 35 1.888 3.441 7.602 246 HD11 LEU 35 1HD1 LEU 35 2.199 2.255 4.974 247 HD12 LEU 35 2HD1 LEU 35 0.596 1.975 5.651 248 HD13 LEU 35 3HD1 LEU 35 2.030 1.485 6.551 249 HD21 LEU 35 1HD2 LEU 35 2.348 5.118 5.220 250 HD22 LEU 35 2HD2 LEU 35 3.502 3.809 5.480 251 HD23 LEU 35 3HD2 LEU 35 3.245 5.022 6.736 252 H ALA 36 H ALA 36 2.345 6.595 7.702 253 HA ALA 36 HA ALA 36 1.691 8.983 6.141 254 HB1 ALA 36 1HB ALA 36 2.616 9.816 8.028 255 HB2 ALA 36 2HB ALA 36 3.578 8.368 8.329 256 HB3 ALA 36 3HB ALA 36 4.113 9.549 7.133 257 H LEU 37 H LEU 37 2.571 9.414 4.210 258 HA LEU 37 HA LEU 37 4.923 7.892 3.341 259 HB2 LEU 37 1HB LEU 37 2.493 8.304 1.611 260 HB3 LEU 37 2HB LEU 37 3.944 7.386 1.212 261 HG LEU 37 HG LEU 37 2.317 6.521 3.553 262 HD11 LEU 37 1HD1 LEU 37 0.898 5.165 2.068 263 HD12 LEU 37 2HD1 LEU 37 1.572 6.012 0.677 264 HD13 LEU 37 3HD1 LEU 37 0.622 6.896 1.871 265 HD21 LEU 37 1HD2 LEU 37 4.212 5.336 1.587 266 HD22 LEU 37 2HD2 LEU 37 2.999 4.292 2.329 267 HD23 LEU 37 3HD2 LEU 37 4.149 5.166 3.342 268 H GLU 38 H GLU 38 5.929 8.824 1.371 269 HA GLU 38 HA GLU 38 5.459 11.727 1.189 270 HB2 GLU 38 1HB GLU 38 7.995 10.200 1.566 271 HB3 GLU 38 2HB GLU 38 8.042 11.670 0.604 272 HG2 GLU 38 1HG GLU 38 7.254 12.979 2.438 273 HG3 GLU 38 2HG GLU 38 6.946 11.535 3.401 274 H VAL 39 H VAL 39 5.250 12.552 -0.804 275 HA VAL 39 HA VAL 39 4.572 11.220 -3.021 276 HB VAL 39 HB VAL 39 6.303 13.697 -3.008 277 HG11 VAL 39 1HG1 VAL 39 4.543 12.569 -5.182 278 HG12 VAL 39 2HG1 VAL 39 5.365 14.129 -5.232 279 HG13 VAL 39 3HG1 VAL 39 6.305 12.637 -5.198 280 HG21 VAL 39 1HG2 VAL 39 4.513 14.635 -2.065 281 HG22 VAL 39 2HG2 VAL 39 3.696 14.399 -3.610 282 HG23 VAL 39 3HG2 VAL 39 3.525 13.198 -2.330 283 H GLY 40 H GLY 40 5.509 9.448 -3.834 284 HA2 GLY 40 1HA GLY 40 7.128 8.611 -5.402 285 HA3 GLY 40 2HA GLY 40 8.325 9.667 -4.666 286 H ASP 41 H ASP 41 6.050 7.455 -3.091 287 HA ASP 41 HA ASP 41 8.348 5.858 -2.176 288 HB2 ASP 41 1HB ASP 41 7.177 7.527 -0.489 289 HB3 ASP 41 2HB ASP 41 5.992 6.228 -0.376 290 H ILE 42 H ILE 42 8.069 3.672 -2.109 291 HA ILE 42 HA ILE 42 5.782 2.624 -3.536 292 HB ILE 42 HB ILE 42 8.210 1.231 -2.404 293 HG12 ILE 42 1HG1 ILE 42 8.520 2.853 -4.330 294 HG13 ILE 42 2HG1 ILE 42 9.058 1.204 -4.628 295 HG21 ILE 42 1HG2 ILE 42 7.492 -0.677 -3.814 296 HG22 ILE 42 2HG2 ILE 42 6.383 -0.328 -2.489 297 HG23 ILE 42 3HG2 ILE 42 5.980 0.172 -4.131 298 HD11 ILE 42 1HD1 ILE 42 7.664 2.514 -6.408 299 HD12 ILE 42 2HD1 ILE 42 7.393 0.792 -6.137 300 HD13 ILE 42 3HD1 ILE 42 6.301 1.979 -5.425 301 H VAL 43 H VAL 43 3.979 1.995 -2.572 302 HA VAL 43 HA VAL 43 4.041 1.325 0.284 303 HB VAL 43 HB VAL 43 1.587 1.798 -1.403 304 HG11 VAL 43 1HG1 VAL 43 2.145 1.398 1.486 305 HG12 VAL 43 2HG1 VAL 43 0.856 2.517 1.039 306 HG13 VAL 43 3HG1 VAL 43 0.791 0.837 0.506 307 HG21 VAL 43 1HG2 VAL 43 3.560 3.695 -0.460 308 HG22 VAL 43 2HG2 VAL 43 2.188 3.941 -1.540 309 HG23 VAL 43 3HG2 VAL 43 1.961 4.028 0.207 310 H LYS 44 H LYS 44 4.290 -0.773 0.680 311 HA LYS 44 HA LYS 44 3.239 -2.755 -1.183 312 HB2 LYS 44 1HB LYS 44 5.551 -2.972 -0.308 313 HB3 LYS 44 2HB LYS 44 4.897 -3.143 1.316 314 HG2 LYS 44 1HG LYS 44 3.947 -5.003 -0.801 315 HG3 LYS 44 2HG LYS 44 5.559 -5.237 -0.121 316 HD2 LYS 44 1HD LYS 44 4.282 -4.986 2.161 317 HD3 LYS 44 2HD LYS 44 2.888 -5.462 1.189 318 HE2 LYS 44 1HE LYS 44 3.748 -7.557 0.745 319 HE3 LYS 44 2HE LYS 44 5.414 -7.044 1.011 320 HZ1 LYS 44 1HZ LYS 44 5.272 -7.428 3.204 321 HZ2 LYS 44 2HZ LYS 44 3.995 -8.449 2.774 322 HZ3 LYS 44 3HZ LYS 44 3.675 -6.883 3.325 323 H VAL 45 H VAL 45 1.165 -3.270 -0.923 324 HA VAL 45 HA VAL 45 0.099 -3.502 1.812 325 HB VAL 45 HB VAL 45 -1.246 -1.949 0.694 326 HG11 VAL 45 1HG1 VAL 45 -0.725 -1.906 -1.521 327 HG12 VAL 45 2HG1 VAL 45 -0.749 -3.663 -1.676 328 HG13 VAL 45 3HG1 VAL 45 -2.264 -2.761 -1.619 329 HG21 VAL 45 1HG2 VAL 45 -2.550 -3.692 1.810 330 HG22 VAL 45 2HG2 VAL 45 -3.406 -3.050 0.408 331 HG23 VAL 45 3HG2 VAL 45 -2.602 -4.617 0.309 332 H THR 46 H THR 46 -0.611 -5.413 2.549 333 HA THR 46 HA THR 46 -0.446 -7.712 0.732 334 HB THR 46 HB THR 46 -0.202 -9.112 2.670 335 HG1 THR 46 1HG THR 46 -0.967 -8.496 4.539 336 HG21 THR 46 1HG2 THR 46 1.630 -7.169 1.938 337 HG22 THR 46 2HG2 THR 46 1.956 -8.585 2.937 338 HG23 THR 46 3HG2 THR 46 1.563 -7.043 3.695 339 H ARG 47 H ARG 47 -2.646 -5.869 2.665 340 HA ARG 47 HA ARG 47 -4.811 -7.707 1.893 341 HB2 ARG 47 1HB ARG 47 -4.212 -6.493 4.556 342 HB3 ARG 47 2HB ARG 47 -5.893 -6.729 4.097 343 HG2 ARG 47 1HG ARG 47 -3.913 -8.968 3.927 344 HG3 ARG 47 2HG ARG 47 -4.724 -8.567 5.443 345 HD2 ARG 47 1HD ARG 47 -6.311 -8.968 2.939 346 HD3 ARG 47 2HD ARG 47 -5.754 -10.359 3.869 347 HE ARG 47 HE ARG 47 -7.067 -8.453 5.524 348 HH11 ARG 47 2HH1 ARG 47 -7.635 -10.993 3.212 349 HH12 ARG 47 1HH1 ARG 47 -9.204 -11.386 3.833 350 HH21 ARG 47 2HH2 ARG 47 -9.131 -8.961 6.351 351 HH22 ARG 47 1HH2 ARG 47 -10.054 -10.229 5.618 352 H MET 48 H MET 48 -6.356 -6.773 0.728 353 HA MET 48 HA MET 48 -6.507 -3.835 0.718 354 HB2 MET 48 1HB MET 48 -7.227 -5.870 -1.392 355 HB3 MET 48 2HB MET 48 -7.649 -4.167 -1.512 356 HG2 MET 48 1HG MET 48 -4.812 -4.990 -1.071 357 HG3 MET 48 2HG MET 48 -5.521 -5.045 -2.683 358 HE1 MET 48 1HE MET 48 -3.798 -1.843 -3.508 359 HE2 MET 48 2HE MET 48 -3.555 -3.583 -3.363 360 HE3 MET 48 3HE MET 48 -4.941 -2.957 -4.258 361 H ASN 49 H ASN 49 -8.266 -2.890 1.514 362 HA ASN 49 HA ASN 49 -10.516 -4.544 2.326 363 HB2 ASN 49 1HB ASN 49 -9.912 -1.620 2.823 364 HB3 ASN 49 2HB ASN 49 -11.284 -2.495 3.498 365 HD21 ASN 49 1HD2 ASN 49 -9.079 -1.146 4.841 366 HD22 ASN 49 2HD2 ASN 49 -8.320 -2.341 5.833 367 H ILE 50 H ILE 50 -12.745 -3.713 1.979 368 HA ILE 50 HA ILE 50 -13.064 -2.967 -0.818 369 HB ILE 50 HB ILE 50 -14.339 -4.877 0.292 370 HG12 ILE 50 1HG1 ILE 50 -16.416 -4.360 -0.975 371 HG13 ILE 50 2HG1 ILE 50 -15.860 -2.700 -1.158 372 HG21 ILE 50 1HG2 ILE 50 -14.964 -3.043 2.178 373 HG22 ILE 50 2HG2 ILE 50 -16.409 -2.983 1.169 374 HG23 ILE 50 3HG2 ILE 50 -15.892 -4.513 1.879 375 HD11 ILE 50 1HD1 ILE 50 -13.800 -4.432 -2.055 376 HD12 ILE 50 2HD1 ILE 50 -15.320 -4.928 -2.801 377 HD13 ILE 50 3HD1 ILE 50 -14.751 -3.268 -2.978 378 H ASN 51 H ASN 51 -13.302 -1.564 2.303 379 HA ASN 51 HA ASN 51 -15.207 0.455 1.776 380 HB2 ASN 51 1HB ASN 51 -14.676 1.297 3.859 381 HB3 ASN 51 2HB ASN 51 -14.105 -0.360 4.029 382 HD21 ASN 51 1HD2 ASN 51 -13.339 2.671 4.753 383 HD22 ASN 51 2HD2 ASN 51 -11.614 2.585 4.729 384 H GLY 52 H GLY 52 -11.648 0.475 1.663 385 HA2 GLY 52 1HA GLY 52 -11.189 1.880 -0.579 386 HA3 GLY 52 2HA GLY 52 -11.630 3.155 0.549 387 H GLN 53 H GLN 53 -10.448 2.197 2.877 388 HA GLN 53 HA GLN 53 -7.691 2.858 2.339 389 HB2 GLN 53 1HB GLN 53 -7.432 2.999 4.722 390 HB3 GLN 53 2HB GLN 53 -8.951 3.773 4.290 391 HG2 GLN 53 1HG GLN 53 -9.914 1.371 4.802 392 HG3 GLN 53 2HG GLN 53 -8.456 1.261 5.787 393 HE21 GLN 53 1HE2 GLN 53 -8.475 4.158 6.296 394 HE22 GLN 53 2HE2 GLN 53 -9.709 4.414 7.478 395 H TRP 54 H TRP 54 -6.013 1.501 2.239 396 HA TRP 54 HA TRP 54 -6.534 -1.347 2.750 397 HB2 TRP 54 1HB TRP 54 -4.188 -0.259 1.207 398 HB3 TRP 54 2HB TRP 54 -4.885 -1.875 1.148 399 HD1 TRP 54 HD TRP 54 -7.950 -0.899 0.726 400 HE1 TRP 54 1HE TRP 54 -8.633 -0.007 -1.589 401 HE3 TRP 54 3HE TRP 54 -3.322 0.321 -1.072 402 HZ2 TRP 54 2HZ TRP 54 -7.377 1.070 -3.876 403 HZ3 TRP 54 3HZ TRP 54 -3.150 1.277 -3.333 404 HH2 TRP 54 HH TRP 54 -5.137 1.643 -4.704 405 H GLU 55 H GLU 55 -4.413 -2.565 3.335 406 HA GLU 55 HA GLU 55 -3.096 -1.068 5.504 407 HB2 GLU 55 1HB GLU 55 -4.656 -2.981 6.138 408 HB3 GLU 55 2HB GLU 55 -3.465 -4.058 5.423 409 HG2 GLU 55 1HG GLU 55 -1.777 -3.117 6.997 410 HG3 GLU 55 2HG GLU 55 -3.083 -2.229 7.779 411 H GLY 56 H GLY 56 -1.093 -0.544 4.916 412 HA2 GLY 56 1HA GLY 56 0.573 -2.645 3.691 413 HA3 GLY 56 2HA GLY 56 0.559 -1.021 3.020 414 H GLU 57 H GLU 57 2.921 -2.153 3.818 415 HA GLU 57 HA GLU 57 3.540 -0.668 6.288 416 HB2 GLU 57 1HB GLU 57 3.759 -3.092 6.605 417 HB3 GLU 57 2HB GLU 57 4.866 -3.176 5.243 418 HG2 GLU 57 1HG GLU 57 5.528 -1.360 7.499 419 HG3 GLU 57 2HG GLU 57 5.738 -3.096 7.717 420 H VAL 58 H VAL 58 4.891 0.980 6.052 421 HA VAL 58 HA VAL 58 6.958 0.890 3.988 422 HB VAL 58 HB VAL 58 4.931 3.116 4.221 423 HG11 VAL 58 1HG1 VAL 58 6.262 4.147 2.350 424 HG12 VAL 58 2HG1 VAL 58 7.041 4.170 3.933 425 HG13 VAL 58 3HG1 VAL 58 7.539 2.989 2.722 426 HG21 VAL 58 1HG2 VAL 58 4.417 1.001 2.880 427 HG22 VAL 58 2HG2 VAL 58 4.236 2.549 2.055 428 HG23 VAL 58 3HG2 VAL 58 5.664 1.556 1.762 429 H ASN 59 H ASN 59 8.841 1.614 4.741 430 HA ASN 59 HA ASN 59 10.407 2.545 6.103 431 HB2 ASN 59 1HB ASN 59 8.170 4.541 6.287 432 HB3 ASN 59 2HB ASN 59 9.623 4.744 7.262 433 HD21 ASN 59 1HD2 ASN 59 8.214 5.697 4.518 434 HD22 ASN 59 2HD2 ASN 59 9.604 6.043 3.552 435 H GLY 60 H GLY 60 8.840 0.435 7.163 436 HA2 GLY 60 1HA GLY 60 8.622 -0.658 9.175 437 HA3 GLY 60 2HA GLY 60 9.502 0.671 9.916 438 H ARG 61 H ARG 61 6.712 1.555 8.147 439 HA ARG 61 HA ARG 61 5.193 1.811 10.659 440 HB2 ARG 61 1HB ARG 61 5.647 3.739 8.425 441 HB3 ARG 61 2HB ARG 61 4.105 3.783 9.270 442 HG2 ARG 61 1HG ARG 61 5.323 5.321 10.456 443 HG3 ARG 61 2HG ARG 61 5.594 3.859 11.406 444 HD2 ARG 61 1HD ARG 61 7.772 3.648 10.712 445 HD3 ARG 61 2HD ARG 61 7.482 4.499 9.195 446 HE ARG 61 HE ARG 61 8.157 5.669 11.754 447 HH11 ARG 61 2HH1 ARG 61 6.910 6.191 8.546 448 HH12 ARG 61 1HH1 ARG 61 7.266 7.887 8.542 449 HH21 ARG 61 2HH2 ARG 61 8.631 7.901 11.761 450 HH22 ARG 61 1HH2 ARG 61 8.245 8.858 10.371 451 H LYS 62 H LYS 62 3.176 1.017 10.696 452 HA LYS 62 HA LYS 62 2.007 0.124 8.141 453 HB2 LYS 62 1HB LYS 62 1.948 -1.202 10.852 454 HB3 LYS 62 2HB LYS 62 0.886 -1.671 9.531 455 HG2 LYS 62 1HG LYS 62 3.030 -2.004 8.175 456 HG3 LYS 62 2HG LYS 62 3.862 -1.942 9.730 457 HD2 LYS 62 1HD LYS 62 3.501 -4.195 9.568 458 HD3 LYS 62 2HD LYS 62 2.018 -3.711 10.393 459 HE2 LYS 62 1HE LYS 62 0.990 -3.500 8.073 460 HE3 LYS 62 2HE LYS 62 2.413 -4.357 7.483 461 HZ1 LYS 62 1HZ LYS 62 0.978 -6.078 7.849 462 HZ2 LYS 62 2HZ LYS 62 0.219 -5.337 9.166 463 HZ3 LYS 62 3HZ LYS 62 1.752 -6.029 9.352 464 H GLY 63 H GLY 63 0.306 1.334 7.637 465 HA2 GLY 63 1HA GLY 63 -1.761 1.788 9.636 466 HA3 GLY 63 2HA GLY 63 -1.009 3.230 8.971 467 H LEU 64 H LEU 64 -3.673 2.947 8.663 468 HA LEU 64 HA LEU 64 -4.253 1.722 6.104 469 HB2 LEU 64 1HB LEU 64 -6.007 3.431 7.861 470 HB3 LEU 64 2HB LEU 64 -6.533 2.459 6.488 471 HG LEU 64 HG LEU 64 -5.368 1.347 9.039 472 HD11 LEU 64 1HD1 LEU 64 -7.957 0.509 8.910 473 HD12 LEU 64 2HD1 LEU 64 -8.080 2.160 8.304 474 HD13 LEU 64 3HD1 LEU 64 -7.374 1.854 9.890 475 HD21 LEU 64 1HD2 LEU 64 -4.976 -0.091 7.131 476 HD22 LEU 64 2HD2 LEU 64 -6.673 0.023 6.663 477 HD23 LEU 64 3HD2 LEU 64 -6.224 -0.790 8.163 478 H PHE 65 H PHE 65 -4.002 2.708 4.221 479 HA PHE 65 HA PHE 65 -4.066 5.654 4.156 480 HB2 PHE 65 1HB PHE 65 -2.410 5.605 2.374 481 HB3 PHE 65 2HB PHE 65 -1.793 4.747 3.783 482 HD1 PHE 65 1HD PHE 65 -1.676 2.284 3.776 483 HD2 PHE 65 2HD PHE 65 -2.774 4.495 0.309 484 HE1 PHE 65 1HE PHE 65 -1.229 0.308 2.379 485 HE2 PHE 65 2HE PHE 65 -2.329 2.523 -1.093 486 HZ PHE 65 HZ PHE 65 -1.556 0.426 -0.059 487 HA PRO 66 HA PRO 66 -7.352 5.302 1.250 488 HB2 PRO 66 1HB PRO 66 -7.105 7.710 0.022 489 HB3 PRO 66 2HB PRO 66 -7.749 7.528 1.657 490 HG2 PRO 66 1HG PRO 66 -4.997 8.314 0.783 491 HG3 PRO 66 2HG PRO 66 -6.000 9.002 2.073 492 HD2 PRO 66 1HD PRO 66 -3.994 7.251 2.564 493 HD3 PRO 66 2HD PRO 66 -5.464 7.323 3.558 494 H PHE 67 H PHE 67 -7.793 5.135 -1.010 495 HA PHE 67 HA PHE 67 -5.472 4.289 -2.539 496 HB2 PHE 67 1HB PHE 67 -6.958 3.148 -3.945 497 HB3 PHE 67 2HB PHE 67 -7.717 3.024 -2.361 498 HD1 PHE 67 1HD PHE 67 -9.550 4.701 -1.792 499 HD2 PHE 67 2HD PHE 67 -8.114 4.054 -5.746 500 HE1 PHE 67 1HE PHE 67 -11.609 5.696 -2.699 501 HE2 PHE 67 2HE PHE 67 -10.170 5.049 -6.660 502 HZ PHE 67 HZ PHE 67 -11.921 5.872 -5.136 503 H THR 68 H THR 68 -7.873 6.830 -2.532 504 HA THR 68 HA THR 68 -7.417 7.830 -5.130 505 HB THR 68 HB THR 68 -9.386 8.598 -4.110 506 HG1 THR 68 1HG THR 68 -7.556 10.767 -3.835 507 HG21 THR 68 1HG2 THR 68 -9.524 8.632 -1.885 508 HG22 THR 68 2HG2 THR 68 -8.646 10.162 -1.903 509 HG23 THR 68 3HG2 THR 68 -7.768 8.642 -1.731 510 H HIS 69 H HIS 69 -5.376 7.734 -2.491 511 HA HIS 69 HA HIS 69 -3.951 10.186 -3.220 512 HB2 HIS 69 1HB HIS 69 -3.822 8.341 -0.848 513 HB3 HIS 69 2HB HIS 69 -2.527 9.489 -1.175 514 HD1 HIS 69 1HD HIS 69 -2.919 11.894 -0.525 515 HD2 HIS 69 2HD HIS 69 -6.346 9.563 -0.228 516 HE1 HIS 69 1HE HIS 69 -4.615 13.338 0.641 517 HE2 HIS 69 2HE HIS 69 -6.652 11.877 0.886 518 H VAL 70 H VAL 70 -3.725 6.725 -3.385 519 HA VAL 70 HA VAL 70 -1.007 6.945 -4.501 520 HB VAL 70 HB VAL 70 -0.798 4.520 -4.075 521 HG11 VAL 70 1HG1 VAL 70 -1.573 5.473 -1.412 522 HG12 VAL 70 2HG1 VAL 70 -0.012 4.905 -2.007 523 HG13 VAL 70 3HG1 VAL 70 -0.519 6.567 -2.307 524 HG21 VAL 70 1HG2 VAL 70 -3.191 4.557 -2.317 525 HG22 VAL 70 2HG2 VAL 70 -3.447 4.372 -4.052 526 HG23 VAL 70 3HG2 VAL 70 -2.442 3.214 -3.181 527 H LYS 71 H LYS 71 -0.508 5.383 -6.261 528 HA LYS 71 HA LYS 71 -2.849 4.867 -7.972 529 HB2 LYS 71 1HB LYS 71 -1.448 6.894 -8.640 530 HB3 LYS 71 2HB LYS 71 -0.171 5.752 -9.039 531 HG2 LYS 71 1HG LYS 71 -1.148 5.991 -11.081 532 HG3 LYS 71 2HG LYS 71 -2.077 4.625 -10.459 533 HD2 LYS 71 1HD LYS 71 -3.731 6.030 -11.277 534 HD3 LYS 71 2HD LYS 71 -3.688 6.450 -9.564 535 HE2 LYS 71 1HE LYS 71 -1.963 8.244 -10.329 536 HE3 LYS 71 2HE LYS 71 -2.671 7.983 -11.923 537 HZ1 LYS 71 1HZ LYS 71 -4.579 8.372 -9.781 538 HZ2 LYS 71 2HZ LYS 71 -4.558 9.017 -11.344 539 HZ3 LYS 71 3HZ LYS 71 -3.618 9.721 -10.127 540 H ILE 72 H ILE 72 -2.990 2.843 -8.691 541 HA ILE 72 HA ILE 72 -0.946 0.936 -8.024 542 HB ILE 72 HB ILE 72 -3.508 0.559 -9.578 543 HG12 ILE 72 1HG1 ILE 72 -3.711 1.339 -7.181 544 HG13 ILE 72 2HG1 ILE 72 -4.491 -0.198 -7.538 545 HG21 ILE 72 1HG2 ILE 72 -3.209 -1.821 -9.132 546 HG22 ILE 72 2HG2 ILE 72 -1.858 -1.176 -10.063 547 HG23 ILE 72 3HG2 ILE 72 -1.670 -1.485 -8.337 548 HD11 ILE 72 1HD1 ILE 72 -2.647 -1.397 -6.538 549 HD12 ILE 72 2HD1 ILE 72 -1.794 0.119 -6.245 550 HD13 ILE 72 3HD1 ILE 72 -3.304 -0.220 -5.400 551 H PHE 73 H PHE 73 0.650 0.224 -9.277 552 HA PHE 73 HA PHE 73 0.408 0.446 -12.186 553 HB2 PHE 73 1HB PHE 73 2.592 1.445 -12.424 554 HB3 PHE 73 2HB PHE 73 1.635 2.449 -11.340 555 HD1 PHE 73 1HD PHE 73 1.887 1.730 -8.769 556 HD2 PHE 73 2HD PHE 73 4.765 1.054 -11.831 557 HE1 PHE 73 1HE PHE 73 3.658 1.582 -7.067 558 HE2 PHE 73 2HE PHE 73 6.540 0.903 -10.134 559 HZ PHE 73 HZ PHE 73 5.988 1.166 -7.749 560 H ASP 74 H ASP 74 2.724 -0.503 -13.054 561 HA ASP 74 HA ASP 74 2.890 -3.167 -11.815 562 HB2 ASP 74 1HB ASP 74 3.055 -2.197 -14.628 563 HB3 ASP 74 2HB ASP 74 4.018 -3.605 -14.189 564 HA PRO 75 HA PRO 75 6.961 -1.214 -10.865 565 HB2 PRO 75 1HB PRO 75 7.180 -2.357 -8.412 566 HB3 PRO 75 2HB PRO 75 6.307 -0.845 -8.693 567 HG2 PRO 75 1HG PRO 75 5.236 -3.626 -8.406 568 HG3 PRO 75 2HG PRO 75 4.619 -2.112 -7.717 569 HD2 PRO 75 1HD PRO 75 3.537 -3.258 -9.919 570 HD3 PRO 75 2HD PRO 75 3.573 -1.500 -9.677 571 H GLN 76 H GLN 76 5.739 -4.467 -10.873 572 HA GLN 76 HA GLN 76 7.974 -5.980 -10.329 573 HB2 GLN 76 1HB GLN 76 5.745 -6.436 -12.307 574 HB3 GLN 76 2HB GLN 76 6.982 -7.642 -11.980 575 HG2 GLN 76 1HG GLN 76 6.304 -7.809 -9.692 576 HG3 GLN 76 2HG GLN 76 5.188 -6.457 -9.878 577 HE21 GLN 76 1HE2 GLN 76 3.418 -7.666 -9.244 578 HE22 GLN 76 2HE2 GLN 76 2.723 -8.891 -10.244 579 H ASN 77 H ASN 77 7.319 -3.999 -13.094 580 HA ASN 77 HA ASN 77 9.475 -5.167 -14.656 581 HB2 ASN 77 1HB ASN 77 7.746 -2.761 -15.273 582 HB3 ASN 77 2HB ASN 77 8.809 -3.601 -16.399 583 HD21 ASN 77 1HD2 ASN 77 8.326 -5.961 -16.670 584 HD22 ASN 77 2HD2 ASN 77 6.661 -6.414 -16.758 585 HA PRO 78 HA PRO 78 12.548 -2.413 -13.085 586 HB2 PRO 78 1HB PRO 78 14.397 -2.766 -15.041 587 HB3 PRO 78 2HB PRO 78 14.077 -3.975 -13.791 588 HG2 PRO 78 1HG PRO 78 13.086 -3.861 -16.614 589 HG3 PRO 78 2HG PRO 78 13.695 -5.251 -15.697 590 HD2 PRO 78 1HD PRO 78 11.052 -4.794 -16.066 591 HD3 PRO 78 2HD PRO 78 11.692 -5.565 -14.601 592 H ASP 79 H ASP 79 10.730 -1.926 -15.868 593 HA ASP 79 HA ASP 79 11.971 0.708 -16.327 594 HB2 ASP 79 1HB ASP 79 12.103 -0.819 -18.276 595 HB3 ASP 79 2HB ASP 79 10.345 -0.933 -18.280 596 H GLU 80 H GLU 80 10.809 2.374 -15.652 597 HA GLU 80 HA GLU 80 7.894 2.042 -15.393 598 HB2 GLU 80 1HB GLU 80 9.212 2.432 -13.282 599 HB3 GLU 80 2HB GLU 80 9.634 4.018 -13.913 600 HG2 GLU 80 1HG GLU 80 7.466 4.813 -13.726 601 HG3 GLU 80 2HG GLU 80 6.771 3.194 -13.675 602 H ASN 81 H ASN 81 7.246 2.752 -17.394 603 HA ASN 81 HA ASN 81 8.279 5.001 -18.734 604 HB2 ASN 81 1HB ASN 81 6.232 4.854 -20.123 605 HB3 ASN 81 2HB ASN 81 7.020 3.292 -19.921 606 HD21 ASN 81 1HD2 ASN 81 4.131 4.884 -19.843 607 HD22 ASN 81 2HD2 ASN 81 3.208 3.747 -18.926 608 H GLU 82 H GLU 82 8.067 7.089 -18.302 609 HA GLU 82 HA GLU 82 5.627 8.028 -16.964 610 HB2 GLU 82 1HB GLU 82 8.471 8.668 -16.186 611 HB3 GLU 82 2HB GLU 82 7.097 9.634 -15.667 612 HG2 GLU 82 1HG GLU 82 6.149 7.723 -14.521 613 HG3 GLU 82 2HG GLU 82 7.467 6.703 -15.093 614 H SER 83 H SER 83 4.964 10.107 -17.498 615 HA SER 83 HA SER 83 6.214 11.184 -19.924 616 HB2 SER 83 1HB SER 83 4.089 12.315 -20.326 617 HB3 SER 83 2HB SER 83 3.807 10.599 -20.037 618 HG SER 83 HG SER 83 3.734 12.291 -17.828 619 H GLY 84 H GLY 84 7.170 13.130 -19.964 620 HA2 GLY 84 1HA GLY 84 8.241 14.461 -17.928 621 HA3 GLY 84 2HA GLY 84 7.633 15.328 -19.330 622 HA PRO 85 HA PRO 85 4.475 15.532 -15.613 623 HB2 PRO 85 1HB PRO 85 5.749 15.719 -13.223 624 HB3 PRO 85 2HB PRO 85 5.207 14.181 -13.905 625 HG2 PRO 85 1HG PRO 85 7.938 15.407 -13.931 626 HG3 PRO 85 2HG PRO 85 7.470 13.724 -13.623 627 HD2 PRO 85 1HD PRO 85 8.435 14.555 -16.013 628 HD3 PRO 85 2HD PRO 85 7.245 13.245 -15.867 629 H SER 86 H SER 86 3.841 17.456 -14.525 630 HA SER 86 HA SER 86 5.570 19.746 -15.146 631 HB2 SER 86 1HB SER 86 2.605 19.691 -14.530 632 HB3 SER 86 2HB SER 86 3.535 21.104 -15.028 633 HG SER 86 HG SER 86 4.075 19.631 -16.924 634 H SER 87 H SER 87 3.170 18.903 -12.641 635 HA SER 87 HA SER 87 3.647 20.669 -10.704 636 HB2 SER 87 1HB SER 87 3.152 17.723 -10.557 637 HB3 SER 87 2HB SER 87 3.502 18.597 -9.066 638 HG SER 87 HG SER 87 1.423 18.975 -9.156 639 H GLY 88 H GLY 88 5.589 17.680 -10.953 640 HA2 GLY 88 1HA GLY 88 7.542 18.653 -9.087 641 HA3 GLY 88 2HA GLY 88 7.643 17.171 -10.026 Start of MODEL 5 1 H1 GLY 1 H GLY 1 29.790 -3.709 -1.451 2 HA2 GLY 1 1HA GLY 1 28.781 -2.698 -4.004 3 HA3 GLY 1 2HA GLY 1 29.642 -4.210 -3.754 4 H SER 2 H SER 2 26.806 -3.096 -4.733 5 HA SER 2 HA SER 2 24.974 -4.681 -3.208 6 HB2 SER 2 1HB SER 2 24.771 -3.098 -5.757 7 HB3 SER 2 2HB SER 2 23.448 -4.142 -5.237 8 HG SER 2 HG SER 2 23.201 -2.923 -3.418 9 H SER 3 H SER 3 23.649 -6.410 -4.144 10 HA SER 3 HA SER 3 24.818 -7.890 -6.356 11 HB2 SER 3 1HB SER 3 26.066 -8.697 -4.386 12 HB3 SER 3 2HB SER 3 24.544 -9.121 -3.602 13 HG SER 3 HG SER 3 25.617 -10.888 -4.698 14 H GLY 4 H GLY 4 23.320 -8.983 -7.502 15 HA2 GLY 4 1HA GLY 4 20.810 -9.784 -6.283 16 HA3 GLY 4 2HA GLY 4 20.682 -8.506 -7.483 17 H SER 5 H SER 5 20.547 -11.781 -7.013 18 HA SER 5 HA SER 5 20.889 -12.267 -9.892 19 HB2 SER 5 1HB SER 5 21.861 -14.486 -9.384 20 HB3 SER 5 2HB SER 5 22.864 -13.171 -8.771 21 HG SER 5 HG SER 5 20.936 -14.218 -7.055 22 H SER 6 H SER 6 19.624 -14.007 -10.742 23 HA SER 6 HA SER 6 17.161 -14.425 -9.209 24 HB2 SER 6 1HB SER 6 17.783 -14.639 -12.157 25 HB3 SER 6 2HB SER 6 16.254 -15.176 -11.461 26 HG SER 6 HG SER 6 16.101 -12.975 -10.597 27 H GLY 7 H GLY 7 16.042 -16.603 -9.842 28 HA2 GLY 7 1HA GLY 7 18.064 -18.753 -9.710 29 HA3 GLY 7 2HA GLY 7 16.664 -18.736 -8.648 30 HA PRO 8 HA PRO 8 14.567 -21.224 -11.600 31 HB2 PRO 8 1HB PRO 8 12.004 -20.700 -10.874 32 HB3 PRO 8 2HB PRO 8 13.085 -21.716 -9.914 33 HG2 PRO 8 1HG PRO 8 12.358 -18.837 -9.535 34 HG3 PRO 8 2HG PRO 8 12.507 -20.122 -8.322 35 HD2 PRO 8 1HD PRO 8 14.451 -18.285 -8.745 36 HD3 PRO 8 2HD PRO 8 14.804 -19.950 -8.239 37 H LEU 9 H LEU 9 12.431 -20.960 -13.019 38 HA LEU 9 HA LEU 9 13.004 -18.948 -14.920 39 HB2 LEU 9 1HB LEU 9 10.917 -21.025 -14.565 40 HB3 LEU 9 2HB LEU 9 10.563 -19.701 -15.674 41 HG LEU 9 HG LEU 9 11.547 -21.870 -16.631 42 HD11 LEU 9 1HD1 LEU 9 11.472 -19.396 -17.574 43 HD12 LEU 9 2HD1 LEU 9 12.301 -20.697 -18.428 44 HD13 LEU 9 3HD1 LEU 9 13.223 -19.561 -17.444 45 HD21 LEU 9 1HD2 LEU 9 13.971 -20.671 -15.310 46 HD22 LEU 9 2HD2 LEU 9 14.066 -21.821 -16.644 47 HD23 LEU 9 3HD2 LEU 9 13.321 -22.299 -15.118 48 HA PRO 10 HA PRO 10 10.763 -15.501 -13.350 49 HB2 PRO 10 1HB PRO 10 10.347 -14.160 -15.673 50 HB3 PRO 10 2HB PRO 10 11.924 -14.240 -14.879 51 HG2 PRO 10 1HG PRO 10 10.880 -15.838 -17.186 52 HG3 PRO 10 2HG PRO 10 12.477 -15.098 -16.969 53 HD2 PRO 10 1HD PRO 10 12.024 -17.734 -16.547 54 HD3 PRO 10 2HD PRO 10 13.228 -16.812 -15.624 55 H SER 11 H SER 11 8.849 -16.541 -12.657 56 HA SER 11 HA SER 11 6.537 -15.915 -14.271 57 HB2 SER 11 1HB SER 11 7.161 -18.776 -13.505 58 HB3 SER 11 2HB SER 11 5.599 -18.224 -14.110 59 HG SER 11 HG SER 11 6.436 -17.932 -16.069 60 H THR 12 H THR 12 5.125 -15.017 -12.940 61 HA THR 12 HA THR 12 5.047 -15.932 -10.138 62 HB THR 12 HB THR 12 4.512 -13.143 -11.179 63 HG1 THR 12 1HG THR 12 6.407 -12.796 -9.688 64 HG21 THR 12 1HG2 THR 12 3.090 -13.752 -9.258 65 HG22 THR 12 2HG2 THR 12 4.270 -12.509 -8.842 66 HG23 THR 12 3HG2 THR 12 4.534 -14.180 -8.342 67 H GLN 13 H GLN 13 3.258 -17.071 -9.794 68 HA GLN 13 HA GLN 13 0.947 -16.896 -11.441 69 HB2 GLN 13 1HB GLN 13 1.341 -18.227 -8.756 70 HB3 GLN 13 2HB GLN 13 -0.061 -18.450 -9.794 71 HG2 GLN 13 1HG GLN 13 1.277 -20.313 -10.198 72 HG3 GLN 13 2HG GLN 13 1.578 -19.244 -11.567 73 HE21 GLN 13 1HE2 GLN 13 3.551 -20.313 -11.941 74 HE22 GLN 13 2HE2 GLN 13 4.939 -20.002 -10.961 75 H ASN 14 H ASN 14 1.641 -15.859 -8.114 76 HA ASN 14 HA ASN 14 -0.284 -13.716 -8.365 77 HB2 ASN 14 1HB ASN 14 -0.768 -16.127 -6.683 78 HB3 ASN 14 2HB ASN 14 -1.209 -14.562 -6.008 79 HD21 ASN 14 1HD2 ASN 14 -2.895 -13.414 -6.890 80 HD22 ASN 14 2HD2 ASN 14 -3.995 -14.098 -8.034 81 H GLY 15 H GLY 15 0.384 -11.964 -7.278 82 HA2 GLY 15 1HA GLY 15 2.218 -12.324 -5.008 83 HA3 GLY 15 2HA GLY 15 2.711 -11.303 -6.350 84 HA PRO 16 HA PRO 16 0.359 -8.846 -3.091 85 HB2 PRO 16 1HB PRO 16 2.402 -7.192 -2.413 86 HB3 PRO 16 2HB PRO 16 2.110 -8.737 -1.607 87 HG2 PRO 16 1HG PRO 16 4.071 -8.069 -3.768 88 HG3 PRO 16 2HG PRO 16 4.302 -9.057 -2.314 89 HD2 PRO 16 1HD PRO 16 3.872 -10.141 -4.758 90 HD3 PRO 16 2HD PRO 16 3.307 -10.908 -3.260 91 H VAL 17 H VAL 17 -0.337 -6.679 -3.313 92 HA VAL 17 HA VAL 17 0.087 -5.595 -5.990 93 HB VAL 17 HB VAL 17 -1.887 -4.704 -3.884 94 HG11 VAL 17 1HG1 VAL 17 -2.257 -4.239 -6.796 95 HG12 VAL 17 2HG1 VAL 17 -2.791 -3.274 -5.419 96 HG13 VAL 17 3HG1 VAL 17 -1.103 -3.224 -5.931 97 HG21 VAL 17 1HG2 VAL 17 -3.301 -5.935 -5.901 98 HG22 VAL 17 2HG2 VAL 17 -1.893 -6.978 -5.702 99 HG23 VAL 17 3HG2 VAL 17 -2.934 -6.629 -4.322 100 H PHE 18 H PHE 18 1.447 -3.979 -6.344 101 HA PHE 18 HA PHE 18 2.372 -2.380 -4.066 102 HB2 PHE 18 1HB PHE 18 3.542 -2.992 -6.769 103 HB3 PHE 18 2HB PHE 18 4.139 -1.645 -5.805 104 HD1 PHE 18 1HD PHE 18 5.275 -2.047 -3.677 105 HD2 PHE 18 2HD PHE 18 4.014 -5.257 -6.172 106 HE1 PHE 18 1HE PHE 18 6.740 -3.584 -2.434 107 HE2 PHE 18 2HE PHE 18 5.476 -6.799 -4.933 108 HZ PHE 18 HZ PHE 18 6.841 -5.964 -3.060 109 H ALA 19 H ALA 19 2.536 -0.098 -4.223 110 HA ALA 19 HA ALA 19 1.412 1.321 -6.446 111 HB1 ALA 19 1HB ALA 19 -0.461 0.355 -4.709 112 HB2 ALA 19 2HB ALA 19 -0.172 1.977 -4.078 113 HB3 ALA 19 3HB ALA 19 -0.671 1.759 -5.756 114 H LYS 20 H LYS 20 2.661 3.054 -6.583 115 HA LYS 20 HA LYS 20 4.063 4.057 -4.257 116 HB2 LYS 20 1HB LYS 20 5.413 5.254 -5.742 117 HB3 LYS 20 2HB LYS 20 5.017 3.794 -6.638 118 HG2 LYS 20 1HG LYS 20 3.210 5.058 -7.784 119 HG3 LYS 20 2HG LYS 20 3.780 6.518 -6.970 120 HD2 LYS 20 1HD LYS 20 5.702 4.854 -8.541 121 HD3 LYS 20 2HD LYS 20 4.604 5.949 -9.385 122 HE2 LYS 20 1HE LYS 20 5.475 7.666 -7.589 123 HE3 LYS 20 2HE LYS 20 6.847 6.561 -7.520 124 HZ1 LYS 20 1HZ LYS 20 7.469 7.049 -9.644 125 HZ2 LYS 20 2HZ LYS 20 6.804 8.540 -9.202 126 HZ3 LYS 20 3HZ LYS 20 5.907 7.461 -10.147 127 H ALA 21 H ALA 21 3.818 6.060 -3.321 128 HA ALA 21 HA ALA 21 1.218 7.251 -3.539 129 HB1 ALA 21 1HB ALA 21 2.172 8.864 -1.831 130 HB2 ALA 21 2HB ALA 21 2.116 7.164 -1.362 131 HB3 ALA 21 3HB ALA 21 3.640 7.887 -1.877 132 H ILE 22 H ILE 22 0.727 8.555 -5.176 133 HA ILE 22 HA ILE 22 2.721 10.042 -6.610 134 HB ILE 22 HB ILE 22 0.740 10.992 -7.840 135 HG12 ILE 22 1HG1 ILE 22 -0.836 8.943 -6.278 136 HG13 ILE 22 2HG1 ILE 22 -0.827 10.656 -5.875 137 HG21 ILE 22 1HG2 ILE 22 1.692 8.251 -7.765 138 HG22 ILE 22 2HG2 ILE 22 0.062 8.379 -8.422 139 HG23 ILE 22 3HG2 ILE 22 1.379 9.302 -9.146 140 HD11 ILE 22 1HD1 ILE 22 -1.518 10.930 -8.383 141 HD12 ILE 22 2HD1 ILE 22 -2.047 9.258 -8.195 142 HD13 ILE 22 3HD1 ILE 22 -2.711 10.515 -7.152 143 H GLN 23 H GLN 23 0.472 10.689 -4.040 144 HA GLN 23 HA GLN 23 1.251 13.530 -4.100 145 HB2 GLN 23 1HB GLN 23 -1.308 12.181 -3.322 146 HB3 GLN 23 2HB GLN 23 -0.884 13.728 -2.603 147 HG2 GLN 23 1HG GLN 23 -1.455 13.086 -5.469 148 HG3 GLN 23 2HG GLN 23 -2.233 14.271 -4.421 149 HE21 GLN 23 1HE2 GLN 23 -0.756 16.027 -3.627 150 HE22 GLN 23 2HE2 GLN 23 0.363 16.684 -4.767 151 H LYS 24 H LYS 24 1.348 14.582 -1.951 152 HA LYS 24 HA LYS 24 2.972 13.028 -0.177 153 HB2 LYS 24 1HB LYS 24 3.155 15.544 -0.727 154 HB3 LYS 24 2HB LYS 24 1.863 15.753 0.448 155 HG2 LYS 24 1HG LYS 24 3.194 15.060 2.223 156 HG3 LYS 24 2HG LYS 24 4.360 14.266 1.163 157 HD2 LYS 24 1HD LYS 24 5.446 16.221 1.855 158 HD3 LYS 24 2HD LYS 24 4.837 16.610 0.244 159 HE2 LYS 24 1HE LYS 24 4.147 18.473 1.361 160 HE3 LYS 24 2HE LYS 24 2.745 17.440 1.637 161 HZ1 LYS 24 1HZ LYS 24 4.993 17.520 3.553 162 HZ2 LYS 24 2HZ LYS 24 3.403 17.003 3.811 163 HZ3 LYS 24 3HZ LYS 24 3.737 18.651 3.627 164 H ARG 25 H ARG 25 2.473 12.141 1.758 165 HA ARG 25 HA ARG 25 -0.353 12.244 2.567 166 HB2 ARG 25 1HB ARG 25 1.734 10.127 2.649 167 HB3 ARG 25 2HB ARG 25 0.558 10.151 3.956 168 HG2 ARG 25 1HG ARG 25 -0.265 10.180 1.071 169 HG3 ARG 25 2HG ARG 25 0.042 8.682 1.952 170 HD2 ARG 25 1HD ARG 25 -1.839 10.764 3.012 171 HD3 ARG 25 2HD ARG 25 -2.372 9.560 1.840 172 HE ARG 25 HE ARG 25 -1.110 8.188 3.894 173 HH11 ARG 25 2HH1 ARG 25 -3.903 10.224 3.476 174 HH12 ARG 25 1HH1 ARG 25 -4.802 9.475 4.753 175 HH21 ARG 25 2HH2 ARG 25 -2.284 7.193 5.578 176 HH22 ARG 25 1HH2 ARG 25 -3.880 7.752 5.948 177 H VAL 26 H VAL 26 -0.827 13.377 4.320 178 HA VAL 26 HA VAL 26 1.195 13.609 6.449 179 HB VAL 26 HB VAL 26 -0.637 15.827 5.522 180 HG11 VAL 26 1HG1 VAL 26 0.910 15.401 7.951 181 HG12 VAL 26 2HG1 VAL 26 1.309 16.915 7.137 182 HG13 VAL 26 3HG1 VAL 26 -0.358 16.578 7.607 183 HG21 VAL 26 1HG2 VAL 26 1.655 16.911 5.039 184 HG22 VAL 26 2HG2 VAL 26 2.268 15.257 5.051 185 HG23 VAL 26 3HG2 VAL 26 1.024 15.728 3.894 186 HA PRO 27 HA PRO 27 -2.562 11.895 8.387 187 HB2 PRO 27 1HB PRO 27 -1.206 10.636 10.374 188 HB3 PRO 27 2HB PRO 27 -1.414 9.940 8.762 189 HG2 PRO 27 1HG PRO 27 0.940 11.389 9.910 190 HG3 PRO 27 2HG PRO 27 0.906 9.922 8.915 191 HD2 PRO 27 1HD PRO 27 1.480 12.362 7.892 192 HD3 PRO 27 2HD PRO 27 0.647 11.106 6.955 193 H CYS 28 H CYS 28 -3.738 13.035 9.786 194 HA CYS 28 HA CYS 28 -2.819 15.285 11.143 195 HB2 CYS 28 1HB CYS 28 -5.263 13.572 11.607 196 HB3 CYS 28 2HB CYS 28 -4.980 15.095 12.442 197 HG CYS 28 HG CYS 28 -6.715 15.903 10.581 198 H ALA 29 H ALA 29 -3.106 15.575 13.593 199 HA ALA 29 HA ALA 29 -1.180 13.953 14.893 200 HB1 ALA 29 1HB ALA 29 -3.013 15.620 16.520 201 HB2 ALA 29 2HB ALA 29 -1.256 15.474 16.580 202 HB3 ALA 29 3HB ALA 29 -2.018 16.440 15.316 203 H TYR 30 H TYR 30 -4.675 14.356 15.491 204 HA TYR 30 HA TYR 30 -4.917 12.383 17.446 205 HB2 TYR 30 1HB TYR 30 -7.357 12.306 16.644 206 HB3 TYR 30 2HB TYR 30 -6.741 13.849 17.226 207 HD1 TYR 30 1HD TYR 30 -7.811 11.959 14.269 208 HD2 TYR 30 2HD TYR 30 -6.420 15.711 15.716 209 HE1 TYR 30 1HE TYR 30 -8.475 13.016 12.150 210 HE2 TYR 30 2HE TYR 30 -7.082 16.778 13.601 211 HH TYR 30 HH TYR 30 -8.276 16.503 11.694 212 H ASP 31 H ASP 31 -4.864 12.153 13.957 213 HA ASP 31 HA ASP 31 -5.845 9.508 13.737 214 HB2 ASP 31 1HB ASP 31 -4.319 11.360 11.953 215 HB3 ASP 31 2HB ASP 31 -4.422 9.657 11.516 216 H LYS 32 H LYS 32 -4.926 7.848 14.750 217 HA LYS 32 HA LYS 32 -2.002 7.720 14.936 218 HB2 LYS 32 1HB LYS 32 -3.732 7.393 16.916 219 HB3 LYS 32 2HB LYS 32 -3.782 5.747 16.298 220 HG2 LYS 32 1HG LYS 32 -1.514 5.385 16.762 221 HG3 LYS 32 2HG LYS 32 -1.193 7.109 16.963 222 HD2 LYS 32 1HD LYS 32 -2.143 7.175 19.065 223 HD3 LYS 32 2HD LYS 32 -3.157 5.762 18.766 224 HE2 LYS 32 1HE LYS 32 -1.086 4.370 18.765 225 HE3 LYS 32 2HE LYS 32 -0.181 5.804 19.248 226 HZ1 LYS 32 1HZ LYS 32 -0.908 4.257 21.083 227 HZ2 LYS 32 2HZ LYS 32 -2.488 4.794 20.804 228 HZ3 LYS 32 3HZ LYS 32 -1.296 5.890 21.294 229 H THR 33 H THR 33 -4.579 6.477 13.153 230 HA THR 33 HA THR 33 -3.105 4.041 12.434 231 HB THR 33 HB THR 33 -5.220 3.379 11.262 232 HG1 THR 33 1HG THR 33 -6.213 5.364 10.969 233 HG21 THR 33 1HG2 THR 33 -4.637 2.693 13.608 234 HG22 THR 33 2HG2 THR 33 -6.364 2.697 13.248 235 HG23 THR 33 3HG2 THR 33 -5.653 4.016 14.178 236 H ALA 34 H ALA 34 -3.601 7.180 11.391 237 HA ALA 34 HA ALA 34 -3.698 6.756 8.570 238 HB1 ALA 34 1HB ALA 34 -3.233 9.154 8.403 239 HB2 ALA 34 2HB ALA 34 -4.517 8.821 9.565 240 HB3 ALA 34 3HB ALA 34 -2.893 9.207 10.132 241 H LEU 35 H LEU 35 -2.095 5.929 7.412 242 HA LEU 35 HA LEU 35 0.605 5.852 8.376 243 HB2 LEU 35 1HB LEU 35 -0.746 4.197 6.828 244 HB3 LEU 35 2HB LEU 35 -0.084 5.215 5.551 245 HG LEU 35 HG LEU 35 1.578 3.755 7.602 246 HD11 LEU 35 1HD1 LEU 35 1.570 2.942 4.761 247 HD12 LEU 35 2HD1 LEU 35 0.160 2.494 5.720 248 HD13 LEU 35 3HD1 LEU 35 1.769 1.974 6.222 249 HD21 LEU 35 1HD2 LEU 35 2.225 5.384 5.160 250 HD22 LEU 35 2HD2 LEU 35 3.362 4.228 5.854 251 HD23 LEU 35 3HD2 LEU 35 2.805 5.601 6.812 252 H ALA 36 H ALA 36 2.286 7.127 7.857 253 HA ALA 36 HA ALA 36 1.738 9.459 6.179 254 HB1 ALA 36 1HB ALA 36 2.983 10.595 7.624 255 HB2 ALA 36 2HB ALA 36 3.074 9.132 8.606 256 HB3 ALA 36 3HB ALA 36 4.335 9.480 7.423 257 H LEU 37 H LEU 37 2.723 9.838 4.276 258 HA LEU 37 HA LEU 37 5.054 8.255 3.510 259 HB2 LEU 37 1HB LEU 37 2.579 8.433 1.800 260 HB3 LEU 37 2HB LEU 37 4.082 7.614 1.383 261 HG LEU 37 HG LEU 37 2.395 6.780 3.729 262 HD11 LEU 37 1HD1 LEU 37 2.214 5.883 0.860 263 HD12 LEU 37 2HD1 LEU 37 0.942 6.611 1.841 264 HD13 LEU 37 3HD1 LEU 37 1.530 4.993 2.221 265 HD21 LEU 37 1HD2 LEU 37 4.942 6.081 2.921 266 HD22 LEU 37 2HD2 LEU 37 3.932 4.780 2.290 267 HD23 LEU 37 3HD2 LEU 37 3.903 5.164 4.012 268 H GLU 38 H GLU 38 5.983 9.039 1.406 269 HA GLU 38 HA GLU 38 5.488 11.923 1.061 270 HB2 GLU 38 1HB GLU 38 8.090 10.425 1.241 271 HB3 GLU 38 2HB GLU 38 7.990 11.987 0.441 272 HG2 GLU 38 1HG GLU 38 8.635 12.577 2.563 273 HG3 GLU 38 2HG GLU 38 6.885 12.767 2.650 274 H VAL 39 H VAL 39 5.687 12.765 -1.023 275 HA VAL 39 HA VAL 39 4.726 11.302 -3.129 276 HB VAL 39 HB VAL 39 6.584 13.679 -3.298 277 HG11 VAL 39 1HG1 VAL 39 6.512 12.573 -5.430 278 HG12 VAL 39 2HG1 VAL 39 4.753 12.453 -5.356 279 HG13 VAL 39 3HG1 VAL 39 5.524 14.031 -5.517 280 HG21 VAL 39 1HG2 VAL 39 4.728 14.368 -2.052 281 HG22 VAL 39 2HG2 VAL 39 4.343 14.855 -3.703 282 HG23 VAL 39 3HG2 VAL 39 3.608 13.406 -3.016 283 H GLY 40 H GLY 40 5.557 9.433 -3.840 284 HA2 GLY 40 1HA GLY 40 7.109 8.449 -5.405 285 HA3 GLY 40 2HA GLY 40 8.373 9.454 -4.711 286 H ASP 41 H ASP 41 6.008 7.618 -2.865 287 HA ASP 41 HA ASP 41 8.205 5.900 -1.909 288 HB2 ASP 41 1HB ASP 41 6.996 7.662 -0.341 289 HB3 ASP 41 2HB ASP 41 5.788 6.385 -0.223 290 H ILE 42 H ILE 42 7.884 3.729 -1.817 291 HA ILE 42 HA ILE 42 5.552 2.704 -3.214 292 HB ILE 42 HB ILE 42 7.973 1.227 -2.174 293 HG12 ILE 42 1HG1 ILE 42 8.755 2.697 -3.854 294 HG13 ILE 42 2HG1 ILE 42 8.518 1.157 -4.673 295 HG21 ILE 42 1HG2 ILE 42 6.435 0.075 -4.378 296 HG22 ILE 42 2HG2 ILE 42 7.091 -0.687 -2.930 297 HG23 ILE 42 3HG2 ILE 42 5.551 0.169 -2.855 298 HD11 ILE 42 1HD1 ILE 42 6.213 2.089 -5.307 299 HD12 ILE 42 2HD1 ILE 42 6.889 3.655 -4.856 300 HD13 ILE 42 3HD1 ILE 42 7.635 2.710 -6.144 301 H VAL 43 H VAL 43 3.843 1.818 -2.259 302 HA VAL 43 HA VAL 43 4.041 1.142 0.603 303 HB VAL 43 HB VAL 43 1.501 1.777 -0.893 304 HG11 VAL 43 1HG1 VAL 43 0.946 0.623 1.055 305 HG12 VAL 43 2HG1 VAL 43 2.229 1.393 1.990 306 HG13 VAL 43 3HG1 VAL 43 0.801 2.317 1.522 307 HG21 VAL 43 1HG2 VAL 43 3.402 3.614 -0.651 308 HG22 VAL 43 2HG2 VAL 43 1.693 4.005 -0.455 309 HG23 VAL 43 3HG2 VAL 43 2.708 3.752 0.965 310 H LYS 44 H LYS 44 4.433 -0.996 0.689 311 HA LYS 44 HA LYS 44 3.156 -2.836 -1.143 312 HB2 LYS 44 1HB LYS 44 5.511 -3.127 -0.362 313 HB3 LYS 44 2HB LYS 44 4.895 -3.440 1.255 314 HG2 LYS 44 1HG LYS 44 3.486 -5.274 -0.015 315 HG3 LYS 44 2HG LYS 44 4.811 -5.144 -1.173 316 HD2 LYS 44 1HD LYS 44 6.423 -5.645 0.559 317 HD3 LYS 44 2HD LYS 44 5.150 -5.654 1.782 318 HE2 LYS 44 1HE LYS 44 4.134 -7.591 0.780 319 HE3 LYS 44 2HE LYS 44 5.259 -7.529 -0.577 320 HZ1 LYS 44 1HZ LYS 44 7.031 -8.183 0.780 321 HZ2 LYS 44 2HZ LYS 44 5.755 -9.190 1.244 322 HZ3 LYS 44 3HZ LYS 44 6.186 -7.872 2.212 323 H VAL 45 H VAL 45 1.075 -3.287 -0.808 324 HA VAL 45 HA VAL 45 0.133 -3.652 1.956 325 HB VAL 45 HB VAL 45 -1.192 -2.000 0.909 326 HG11 VAL 45 1HG1 VAL 45 -0.918 -1.968 -1.336 327 HG12 VAL 45 2HG1 VAL 45 -0.900 -3.728 -1.468 328 HG13 VAL 45 3HG1 VAL 45 -2.433 -2.870 -1.304 329 HG21 VAL 45 1HG2 VAL 45 -2.285 -4.461 1.703 330 HG22 VAL 45 2HG2 VAL 45 -3.079 -2.886 1.678 331 HG23 VAL 45 3HG2 VAL 45 -3.194 -3.954 0.279 332 H THR 46 H THR 46 -0.676 -5.562 2.625 333 HA THR 46 HA THR 46 -0.648 -7.775 0.685 334 HB THR 46 HB THR 46 -0.381 -9.280 2.605 335 HG1 THR 46 1HG THR 46 -1.456 -7.824 4.127 336 HG21 THR 46 1HG2 THR 46 1.621 -7.019 2.679 337 HG22 THR 46 2HG2 THR 46 1.615 -8.328 1.498 338 HG23 THR 46 3HG2 THR 46 1.892 -8.680 3.203 339 H ARG 47 H ARG 47 -2.637 -5.978 2.859 340 HA ARG 47 HA ARG 47 -4.888 -7.774 2.244 341 HB2 ARG 47 1HB ARG 47 -4.327 -6.318 4.831 342 HB3 ARG 47 2HB ARG 47 -5.854 -7.107 4.458 343 HG2 ARG 47 1HG ARG 47 -4.995 -9.202 4.706 344 HG3 ARG 47 2HG ARG 47 -3.367 -8.711 4.233 345 HD2 ARG 47 1HD ARG 47 -3.053 -9.030 6.476 346 HD3 ARG 47 2HD ARG 47 -3.500 -7.325 6.467 347 HE ARG 47 HE ARG 47 -5.368 -7.869 7.654 348 HH11 ARG 47 2HH1 ARG 47 -4.188 -10.734 6.065 349 HH12 ARG 47 1HH1 ARG 47 -5.340 -11.785 6.820 350 HH21 ARG 47 2HH2 ARG 47 -6.889 -9.243 8.655 351 HH22 ARG 47 1HH2 ARG 47 -6.876 -10.936 8.293 352 H MET 48 H MET 48 -6.366 -6.800 1.038 353 HA MET 48 HA MET 48 -6.610 -3.871 1.202 354 HB2 MET 48 1HB MET 48 -7.004 -5.801 -1.067 355 HB3 MET 48 2HB MET 48 -7.744 -4.206 -1.101 356 HG2 MET 48 1HG MET 48 -5.366 -3.336 -0.635 357 HG3 MET 48 2HG MET 48 -4.847 -4.939 -1.151 358 HE1 MET 48 1HE MET 48 -3.384 -3.479 -3.134 359 HE2 MET 48 2HE MET 48 -4.217 -2.260 -4.099 360 HE3 MET 48 3HE MET 48 -4.103 -2.073 -2.348 361 H ASN 49 H ASN 49 -8.215 -3.474 2.617 362 HA ASN 49 HA ASN 49 -10.462 -5.127 3.030 363 HB2 ASN 49 1HB ASN 49 -10.406 -2.174 3.624 364 HB3 ASN 49 2HB ASN 49 -11.255 -3.449 4.494 365 HD21 ASN 49 1HD2 ASN 49 -9.256 -1.394 5.321 366 HD22 ASN 49 2HD2 ASN 49 -8.017 -2.286 6.129 367 H ILE 50 H ILE 50 -12.685 -4.699 2.541 368 HA ILE 50 HA ILE 50 -13.118 -3.994 -0.170 369 HB ILE 50 HB ILE 50 -15.081 -4.481 2.070 370 HG12 ILE 50 1HG1 ILE 50 -15.425 -6.578 0.522 371 HG13 ILE 50 2HG1 ILE 50 -13.808 -6.176 -0.047 372 HG21 ILE 50 1HG2 ILE 50 -15.592 -4.171 -0.885 373 HG22 ILE 50 2HG2 ILE 50 -16.778 -4.704 0.305 374 HG23 ILE 50 3HG2 ILE 50 -16.116 -3.072 0.391 375 HD11 ILE 50 1HD1 ILE 50 -14.367 -7.782 2.065 376 HD12 ILE 50 2HD1 ILE 50 -12.841 -6.933 1.817 377 HD13 ILE 50 3HD1 ILE 50 -14.078 -6.237 2.863 378 H ASN 51 H ASN 51 -13.871 -2.375 2.894 379 HA ASN 51 HA ASN 51 -15.378 -0.263 2.146 380 HB2 ASN 51 1HB ASN 51 -14.634 -0.562 4.442 381 HB3 ASN 51 2HB ASN 51 -12.977 -0.178 3.985 382 HD21 ASN 51 1HD2 ASN 51 -12.339 1.884 3.976 383 HD22 ASN 51 2HD2 ASN 51 -13.372 3.239 4.262 384 H GLY 52 H GLY 52 -11.812 -0.282 1.973 385 HA2 GLY 52 1HA GLY 52 -11.395 0.724 -0.494 386 HA3 GLY 52 2HA GLY 52 -11.811 2.164 0.423 387 H GLN 53 H GLN 53 -10.590 1.734 2.822 388 HA GLN 53 HA GLN 53 -7.874 2.324 2.189 389 HB2 GLN 53 1HB GLN 53 -7.572 2.702 4.523 390 HB3 GLN 53 2HB GLN 53 -9.175 3.296 4.113 391 HG2 GLN 53 1HG GLN 53 -10.056 1.063 4.913 392 HG3 GLN 53 2HG GLN 53 -8.448 0.780 5.576 393 HE21 GLN 53 1HE2 GLN 53 -10.450 0.732 7.309 394 HE22 GLN 53 2HE2 GLN 53 -10.482 2.157 8.284 395 H TRP 54 H TRP 54 -6.156 1.024 2.102 396 HA TRP 54 HA TRP 54 -6.531 -1.793 2.846 397 HB2 TRP 54 1HB TRP 54 -4.231 -0.787 1.201 398 HB3 TRP 54 2HB TRP 54 -4.978 -2.382 1.207 399 HD1 TRP 54 HD TRP 54 -7.978 -1.611 0.662 400 HE1 TRP 54 1HE TRP 54 -8.675 -0.668 -1.629 401 HE3 TRP 54 3HE TRP 54 -3.427 0.083 -0.937 402 HZ2 TRP 54 2HZ TRP 54 -7.457 0.623 -3.824 403 HZ3 TRP 54 3HZ TRP 54 -3.279 1.160 -3.145 404 HH2 TRP 54 HH TRP 54 -5.253 1.423 -4.557 405 H GLU 55 H GLU 55 -4.358 -2.880 3.470 406 HA GLU 55 HA GLU 55 -3.046 -1.171 5.481 407 HB2 GLU 55 1HB GLU 55 -4.542 -3.234 6.145 408 HB3 GLU 55 2HB GLU 55 -3.102 -4.151 5.725 409 HG2 GLU 55 1HG GLU 55 -1.806 -2.934 7.362 410 HG3 GLU 55 2HG GLU 55 -3.198 -1.920 7.742 411 H GLY 56 H GLY 56 -1.053 -0.649 4.878 412 HA2 GLY 56 1HA GLY 56 0.651 -2.763 3.737 413 HA3 GLY 56 2HA GLY 56 0.567 -1.191 2.956 414 H GLU 57 H GLU 57 2.962 -2.296 3.862 415 HA GLU 57 HA GLU 57 3.576 -0.648 6.225 416 HB2 GLU 57 1HB GLU 57 3.970 -3.080 6.495 417 HB3 GLU 57 2HB GLU 57 5.100 -3.028 5.149 418 HG2 GLU 57 1HG GLU 57 6.391 -1.309 6.500 419 HG3 GLU 57 2HG GLU 57 5.380 -1.785 7.863 420 H VAL 58 H VAL 58 5.238 0.809 6.161 421 HA VAL 58 HA VAL 58 6.964 0.958 3.831 422 HB VAL 58 HB VAL 58 5.087 3.216 4.541 423 HG11 VAL 58 1HG1 VAL 58 7.252 3.139 2.443 424 HG12 VAL 58 2HG1 VAL 58 6.161 4.483 2.783 425 HG13 VAL 58 3HG1 VAL 58 7.361 3.995 3.980 426 HG21 VAL 58 1HG2 VAL 58 5.239 1.279 2.266 427 HG22 VAL 58 2HG2 VAL 58 3.840 1.777 3.218 428 HG23 VAL 58 3HG2 VAL 58 4.536 2.879 2.030 429 H ASN 59 H ASN 59 8.931 1.726 4.339 430 HA ASN 59 HA ASN 59 10.668 2.264 5.734 431 HB2 ASN 59 1HB ASN 59 8.757 4.551 5.765 432 HB3 ASN 59 2HB ASN 59 10.110 4.600 6.892 433 HD21 ASN 59 1HD2 ASN 59 9.179 4.511 3.532 434 HD22 ASN 59 2HD2 ASN 59 10.687 5.064 2.897 435 H GLY 60 H GLY 60 8.976 0.400 6.944 436 HA2 GLY 60 1HA GLY 60 8.711 -0.575 9.009 437 HA3 GLY 60 2HA GLY 60 9.724 0.701 9.667 438 H ARG 61 H ARG 61 6.607 0.956 7.996 439 HA ARG 61 HA ARG 61 5.272 1.653 10.483 440 HB2 ARG 61 1HB ARG 61 5.477 3.587 8.167 441 HB3 ARG 61 2HB ARG 61 4.424 3.792 9.560 442 HG2 ARG 61 1HG ARG 61 6.229 4.136 11.015 443 HG3 ARG 61 2HG ARG 61 7.394 3.503 9.851 444 HD2 ARG 61 1HD ARG 61 7.726 5.785 9.685 445 HD3 ARG 61 2HD ARG 61 6.597 5.475 8.367 446 HE ARG 61 HE ARG 61 5.159 6.120 10.697 447 HH11 ARG 61 2HH1 ARG 61 7.232 7.585 8.316 448 HH12 ARG 61 1HH1 ARG 61 6.532 9.161 8.485 449 HH21 ARG 61 2HH2 ARG 61 4.228 8.189 10.929 450 HH22 ARG 61 1HH2 ARG 61 4.823 9.504 9.972 451 H LYS 62 H LYS 62 3.260 0.885 10.493 452 HA LYS 62 HA LYS 62 2.024 0.201 7.906 453 HB2 LYS 62 1HB LYS 62 1.723 -1.193 10.573 454 HB3 LYS 62 2HB LYS 62 0.848 -1.618 9.107 455 HG2 LYS 62 1HG LYS 62 3.108 -2.001 8.033 456 HG3 LYS 62 2HG LYS 62 3.788 -1.886 9.658 457 HD2 LYS 62 1HD LYS 62 3.466 -4.157 9.474 458 HD3 LYS 62 2HD LYS 62 1.947 -3.662 10.226 459 HE2 LYS 62 1HE LYS 62 2.251 -3.873 7.245 460 HE3 LYS 62 2HE LYS 62 1.823 -5.266 8.237 461 HZ1 LYS 62 1HZ LYS 62 0.226 -2.979 7.480 462 HZ2 LYS 62 2HZ LYS 62 0.085 -3.422 9.106 463 HZ3 LYS 62 3HZ LYS 62 -0.255 -4.548 7.891 464 H GLY 63 H GLY 63 0.301 1.385 7.429 465 HA2 GLY 63 1HA GLY 63 -1.649 2.009 9.501 466 HA3 GLY 63 2HA GLY 63 -0.873 3.388 8.736 467 H LEU 64 H LEU 64 -3.543 3.242 8.553 468 HA LEU 64 HA LEU 64 -4.297 1.926 6.080 469 HB2 LEU 64 1HB LEU 64 -5.879 3.735 7.899 470 HB3 LEU 64 2HB LEU 64 -6.529 2.822 6.539 471 HG LEU 64 HG LEU 64 -5.329 1.613 9.031 472 HD11 LEU 64 1HD1 LEU 64 -7.979 2.627 8.441 473 HD12 LEU 64 2HD1 LEU 64 -7.286 2.092 9.972 474 HD13 LEU 64 3HD1 LEU 64 -7.998 0.916 8.868 475 HD21 LEU 64 1HD2 LEU 64 -6.678 -0.385 7.984 476 HD22 LEU 64 2HD2 LEU 64 -5.029 -0.032 7.465 477 HD23 LEU 64 3HD2 LEU 64 -6.396 0.499 6.484 478 H PHE 65 H PHE 65 -4.072 2.833 4.156 479 HA PHE 65 HA PHE 65 -4.122 5.772 3.966 480 HB2 PHE 65 1HB PHE 65 -2.483 5.593 2.117 481 HB3 PHE 65 2HB PHE 65 -1.838 5.006 3.646 482 HD1 PHE 65 1HD PHE 65 -1.502 2.608 4.013 483 HD2 PHE 65 2HD PHE 65 -2.811 4.131 0.260 484 HE1 PHE 65 1HE PHE 65 -0.911 0.472 2.944 485 HE2 PHE 65 2HE PHE 65 -2.223 1.997 -0.815 486 HZ PHE 65 HZ PHE 65 -1.273 0.164 0.528 487 HA PRO 66 HA PRO 66 -7.360 5.254 1.033 488 HB2 PRO 66 1HB PRO 66 -7.108 7.595 -0.318 489 HB3 PRO 66 2HB PRO 66 -7.773 7.496 1.316 490 HG2 PRO 66 1HG PRO 66 -5.013 8.250 0.437 491 HG3 PRO 66 2HG PRO 66 -6.036 9.000 1.675 492 HD2 PRO 66 1HD PRO 66 -4.029 7.288 2.285 493 HD3 PRO 66 2HD PRO 66 -5.512 7.404 3.254 494 H PHE 67 H PHE 67 -7.775 5.063 -1.258 495 HA PHE 67 HA PHE 67 -5.452 4.068 -2.690 496 HB2 PHE 67 1HB PHE 67 -7.108 3.228 -4.323 497 HB3 PHE 67 2HB PHE 67 -7.463 2.694 -2.684 498 HD1 PHE 67 1HD PHE 67 -9.291 3.808 -1.404 499 HD2 PHE 67 2HD PHE 67 -8.644 4.523 -5.549 500 HE1 PHE 67 1HE PHE 67 -11.569 4.716 -1.599 501 HE2 PHE 67 2HE PHE 67 -10.921 5.433 -5.751 502 HZ PHE 67 HZ PHE 67 -12.386 5.532 -3.774 503 H THR 68 H THR 68 -7.759 6.696 -2.857 504 HA THR 68 HA THR 68 -7.242 7.597 -5.457 505 HB THR 68 HB THR 68 -7.985 9.856 -4.572 506 HG1 THR 68 1HG THR 68 -9.013 9.485 -2.365 507 HG21 THR 68 1HG2 THR 68 -9.833 8.869 -5.407 508 HG22 THR 68 2HG2 THR 68 -10.266 8.650 -3.711 509 HG23 THR 68 3HG2 THR 68 -9.499 7.336 -4.603 510 H HIS 69 H HIS 69 -5.558 8.168 -2.424 511 HA HIS 69 HA HIS 69 -3.866 10.237 -3.384 512 HB2 HIS 69 1HB HIS 69 -3.643 8.359 -1.031 513 HB3 HIS 69 2HB HIS 69 -2.470 9.631 -1.357 514 HD1 HIS 69 1HD HIS 69 -6.250 9.882 -1.570 515 HD2 HIS 69 2HD HIS 69 -3.061 11.425 0.601 516 HE1 HIS 69 1HE HIS 69 -7.239 11.667 -0.099 517 HE2 HIS 69 2HE HIS 69 -5.277 12.644 1.143 518 H VAL 70 H VAL 70 -3.624 6.732 -3.280 519 HA VAL 70 HA VAL 70 -0.951 6.852 -4.478 520 HB VAL 70 HB VAL 70 -0.837 4.436 -4.062 521 HG11 VAL 70 1HG1 VAL 70 -0.636 6.443 -2.222 522 HG12 VAL 70 2HG1 VAL 70 -1.731 5.316 -1.419 523 HG13 VAL 70 3HG1 VAL 70 -0.142 4.771 -1.958 524 HG21 VAL 70 1HG2 VAL 70 -3.377 4.176 -4.281 525 HG22 VAL 70 2HG2 VAL 70 -2.553 3.190 -3.072 526 HG23 VAL 70 3HG2 VAL 70 -3.439 4.633 -2.579 527 H LYS 71 H LYS 71 -0.520 5.187 -6.211 528 HA LYS 71 HA LYS 71 -2.840 4.755 -7.955 529 HB2 LYS 71 1HB LYS 71 -1.661 6.834 -8.660 530 HB3 LYS 71 2HB LYS 71 -0.202 5.884 -8.910 531 HG2 LYS 71 1HG LYS 71 -1.761 4.469 -10.469 532 HG3 LYS 71 2HG LYS 71 -2.718 5.952 -10.497 533 HD2 LYS 71 1HD LYS 71 0.235 5.946 -11.060 534 HD3 LYS 71 2HD LYS 71 -0.961 5.655 -12.326 535 HE2 LYS 71 1HE LYS 71 -1.768 7.805 -12.244 536 HE3 LYS 71 2HE LYS 71 -1.281 8.038 -10.566 537 HZ1 LYS 71 1HZ LYS 71 0.938 8.377 -11.195 538 HZ2 LYS 71 2HZ LYS 71 0.034 9.277 -12.305 539 HZ3 LYS 71 3HZ LYS 71 0.690 7.786 -12.760 540 H ILE 72 H ILE 72 -2.930 2.730 -8.663 541 HA ILE 72 HA ILE 72 -0.930 0.828 -8.025 542 HB ILE 72 HB ILE 72 -3.241 0.542 -9.949 543 HG12 ILE 72 1HG1 ILE 72 -3.950 1.203 -7.680 544 HG13 ILE 72 2HG1 ILE 72 -4.449 -0.441 -8.066 545 HG21 ILE 72 1HG2 ILE 72 -1.795 -1.240 -10.392 546 HG22 ILE 72 2HG2 ILE 72 -1.364 -1.430 -8.693 547 HG23 ILE 72 3HG2 ILE 72 -2.966 -1.907 -9.255 548 HD11 ILE 72 1HD1 ILE 72 -2.413 -1.225 -6.816 549 HD12 ILE 72 2HD1 ILE 72 -2.219 0.438 -6.261 550 HD13 ILE 72 3HD1 ILE 72 -3.673 -0.467 -5.843 551 H PHE 73 H PHE 73 0.914 0.454 -9.042 552 HA PHE 73 HA PHE 73 1.031 0.850 -11.955 553 HB2 PHE 73 1HB PHE 73 3.009 2.047 -11.862 554 HB3 PHE 73 2HB PHE 73 2.188 2.640 -10.422 555 HD1 PHE 73 2HD PHE 73 4.825 0.381 -11.650 556 HD2 PHE 73 1HD PHE 73 3.056 2.242 -8.255 557 HE1 PHE 73 2HE PHE 73 6.747 -0.305 -10.277 558 HE2 PHE 73 1HE PHE 73 4.976 1.560 -6.876 559 HZ PHE 73 HZ PHE 73 6.825 0.284 -7.886 560 H ASP 74 H ASP 74 2.006 -0.734 -13.094 561 HA ASP 74 HA ASP 74 2.483 -3.236 -11.874 562 HB2 ASP 74 1HB ASP 74 3.499 -2.450 -14.600 563 HB3 ASP 74 2HB ASP 74 2.988 -4.041 -14.041 564 HA PRO 75 HA PRO 75 6.647 -2.677 -10.499 565 HB2 PRO 75 1HB PRO 75 7.215 -5.291 -10.032 566 HB3 PRO 75 2HB PRO 75 6.188 -4.326 -8.965 567 HG2 PRO 75 1HG PRO 75 5.403 -6.274 -11.098 568 HG3 PRO 75 2HG PRO 75 4.728 -6.063 -9.472 569 HD2 PRO 75 1HD PRO 75 3.533 -5.063 -11.686 570 HD3 PRO 75 2HD PRO 75 3.436 -4.262 -10.105 571 H GLN 76 H GLN 76 5.912 -5.204 -12.887 572 HA GLN 76 HA GLN 76 7.285 -6.206 -14.455 573 HB2 GLN 76 1HB GLN 76 7.527 -3.247 -15.006 574 HB3 GLN 76 2HB GLN 76 8.060 -4.493 -16.127 575 HG2 GLN 76 1HG GLN 76 5.773 -5.356 -16.247 576 HG3 GLN 76 2HG GLN 76 5.245 -4.087 -15.143 577 HE21 GLN 76 1HE2 GLN 76 4.852 -2.083 -15.912 578 HE22 GLN 76 2HE2 GLN 76 4.988 -1.636 -17.575 579 H ASN 77 H ASN 77 8.671 -6.020 -12.020 580 HA ASN 77 HA ASN 77 11.368 -5.159 -12.787 581 HB2 ASN 77 1HB ASN 77 11.924 -5.293 -10.426 582 HB3 ASN 77 2HB ASN 77 10.459 -4.336 -10.629 583 HD21 ASN 77 1HD2 ASN 77 11.652 -6.104 -8.444 584 HD22 ASN 77 2HD2 ASN 77 10.324 -7.094 -7.956 585 HA PRO 78 HA PRO 78 12.536 -9.353 -13.538 586 HB2 PRO 78 1HB PRO 78 15.226 -8.988 -13.518 587 HB3 PRO 78 2HB PRO 78 14.198 -8.482 -14.864 588 HG2 PRO 78 1HG PRO 78 15.316 -6.850 -12.617 589 HG3 PRO 78 2HG PRO 78 15.209 -6.454 -14.342 590 HD2 PRO 78 1HD PRO 78 13.456 -5.492 -12.516 591 HD3 PRO 78 2HD PRO 78 12.992 -5.841 -14.194 592 H ASP 79 H ASP 79 13.097 -7.631 -10.679 593 HA ASP 79 HA ASP 79 14.601 -9.728 -9.355 594 HB2 ASP 79 1HB ASP 79 13.542 -7.044 -8.505 595 HB3 ASP 79 2HB ASP 79 14.156 -8.194 -7.320 596 H GLU 80 H GLU 80 13.811 -11.221 -7.965 597 HA GLU 80 HA GLU 80 11.028 -11.051 -7.102 598 HB2 GLU 80 1HB GLU 80 12.140 -13.080 -8.970 599 HB3 GLU 80 2HB GLU 80 11.021 -13.646 -7.738 600 HG2 GLU 80 1HG GLU 80 10.367 -11.344 -9.544 601 HG3 GLU 80 2HG GLU 80 10.053 -13.018 -9.999 602 H ASN 81 H ASN 81 11.293 -11.094 -4.961 603 HA ASN 81 HA ASN 81 12.594 -13.415 -3.776 604 HB2 ASN 81 1HB ASN 81 14.446 -11.954 -3.708 605 HB3 ASN 81 2HB ASN 81 13.444 -10.566 -3.296 606 HD21 ASN 81 1HD2 ASN 81 15.041 -13.403 -2.120 607 HD22 ASN 81 2HD2 ASN 81 14.858 -13.061 -0.436 608 H GLU 82 H GLU 82 11.929 -13.853 -1.629 609 HA GLU 82 HA GLU 82 10.414 -14.001 0.062 610 HB2 GLU 82 1HB GLU 82 11.297 -11.636 0.413 611 HB3 GLU 82 2HB GLU 82 9.839 -11.077 -0.395 612 HG2 GLU 82 1HG GLU 82 9.268 -10.929 1.830 613 HG3 GLU 82 2HG GLU 82 8.597 -12.492 1.370 614 H SER 83 H SER 83 9.438 -14.952 -2.228 615 HA SER 83 HA SER 83 6.691 -13.893 -2.377 616 HB2 SER 83 1HB SER 83 6.607 -14.317 -4.646 617 HB3 SER 83 2HB SER 83 8.315 -13.915 -4.466 618 HG SER 83 HG SER 83 8.674 -16.220 -4.250 619 H GLY 84 H GLY 84 8.707 -16.764 -2.166 620 HA2 GLY 84 1HA GLY 84 8.185 -18.775 -1.120 621 HA3 GLY 84 2HA GLY 84 6.532 -18.211 -0.921 622 HA PRO 85 HA PRO 85 7.103 -21.278 -4.549 623 HB2 PRO 85 1HB PRO 85 6.306 -23.567 -3.325 624 HB3 PRO 85 2HB PRO 85 7.996 -23.053 -3.395 625 HG2 PRO 85 1HG PRO 85 6.020 -22.766 -1.165 626 HG3 PRO 85 2HG PRO 85 7.726 -23.244 -1.093 627 HD2 PRO 85 1HD PRO 85 6.889 -20.740 -0.492 628 HD3 PRO 85 2HD PRO 85 8.472 -21.068 -1.225 629 H SER 86 H SER 86 5.387 -21.561 -5.857 630 HA SER 86 HA SER 86 2.720 -21.157 -4.702 631 HB2 SER 86 1HB SER 86 3.591 -20.958 -7.595 632 HB3 SER 86 2HB SER 86 2.012 -20.516 -6.946 633 HG SER 86 HG SER 86 3.312 -19.029 -5.552 634 H SER 87 H SER 87 1.976 -23.121 -4.101 635 HA SER 87 HA SER 87 1.103 -24.931 -6.102 636 HB2 SER 87 1HB SER 87 2.463 -26.829 -5.699 637 HB3 SER 87 2HB SER 87 3.592 -25.485 -5.867 638 HG SER 87 HG SER 87 3.165 -25.448 -3.384 639 H GLY 88 H GLY 88 -0.188 -26.671 -5.238 640 HA2 GLY 88 1HA GLY 88 -1.818 -27.437 -3.813 641 HA3 GLY 88 2HA GLY 88 -0.593 -27.266 -2.565 Start of MODEL 6 1 H1 GLY 1 H GLY 1 28.478 -13.647 17.114 2 HA2 GLY 1 1HA GLY 1 26.161 -13.142 17.115 3 HA3 GLY 1 2HA GLY 1 26.074 -13.661 15.438 4 H SER 2 H SER 2 25.229 -14.459 18.520 5 HA SER 2 HA SER 2 25.679 -17.162 18.818 6 HB2 SER 2 1HB SER 2 23.550 -17.192 20.141 7 HB3 SER 2 2HB SER 2 24.646 -15.885 20.587 8 HG SER 2 HG SER 2 23.282 -14.703 18.882 9 H SER 3 H SER 3 23.430 -15.530 16.708 10 HA SER 3 HA SER 3 22.883 -18.055 15.363 11 HB2 SER 3 1HB SER 3 20.769 -16.323 16.630 12 HB3 SER 3 2HB SER 3 20.398 -17.380 15.268 13 HG SER 3 HG SER 3 20.711 -19.111 16.499 14 H GLY 4 H GLY 4 21.505 -17.608 13.332 15 HA2 GLY 4 1HA GLY 4 22.145 -14.956 12.220 16 HA3 GLY 4 2HA GLY 4 22.620 -16.408 11.351 17 H SER 5 H SER 5 21.282 -17.037 9.804 18 HA SER 5 HA SER 5 18.415 -16.882 10.158 19 HB2 SER 5 1HB SER 5 19.148 -14.624 9.253 20 HB3 SER 5 2HB SER 5 19.636 -15.467 7.783 21 HG SER 5 HG SER 5 17.032 -15.697 8.863 22 H SER 6 H SER 6 17.374 -17.574 7.907 23 HA SER 6 HA SER 6 18.920 -19.905 6.980 24 HB2 SER 6 1HB SER 6 15.919 -19.575 7.212 25 HB3 SER 6 2HB SER 6 16.731 -20.990 6.542 26 HG SER 6 HG SER 6 16.417 -21.516 8.623 27 H GLY 7 H GLY 7 18.781 -20.495 4.776 28 HA2 GLY 7 1HA GLY 7 18.008 -18.247 3.027 29 HA3 GLY 7 2HA GLY 7 19.301 -19.383 2.675 30 HA PRO 8 HA PRO 8 15.016 -21.572 1.930 31 HB2 PRO 8 1HB PRO 8 12.970 -19.861 1.421 32 HB3 PRO 8 2HB PRO 8 13.340 -20.462 3.042 33 HG2 PRO 8 1HG PRO 8 14.058 -17.843 1.783 34 HG3 PRO 8 2HG PRO 8 13.463 -18.171 3.421 35 HD2 PRO 8 1HD PRO 8 16.080 -17.730 2.883 36 HD3 PRO 8 2HD PRO 8 15.542 -18.812 4.184 37 H LEU 9 H LEU 9 13.273 -21.170 -0.059 38 HA LEU 9 HA LEU 9 14.811 -20.053 -2.301 39 HB2 LEU 9 1HB LEU 9 13.866 -22.010 -3.647 40 HB3 LEU 9 2HB LEU 9 15.226 -22.322 -2.571 41 HG LEU 9 HG LEU 9 13.526 -24.113 -2.544 42 HD11 LEU 9 1HD1 LEU 9 14.032 -24.545 -0.415 43 HD12 LEU 9 2HD1 LEU 9 13.216 -23.094 0.167 44 HD13 LEU 9 3HD1 LEU 9 14.872 -22.994 -0.431 45 HD21 LEU 9 1HD2 LEU 9 11.701 -22.240 -1.085 46 HD22 LEU 9 2HD2 LEU 9 11.341 -23.802 -1.821 47 HD23 LEU 9 3HD2 LEU 9 11.625 -22.390 -2.840 48 HA PRO 10 HA PRO 10 11.081 -18.108 -3.554 49 HB2 PRO 10 1HB PRO 10 11.368 -18.097 -6.254 50 HB3 PRO 10 2HB PRO 10 12.314 -17.056 -5.183 51 HG2 PRO 10 1HG PRO 10 13.080 -19.651 -6.464 52 HG3 PRO 10 2HG PRO 10 14.032 -18.165 -6.291 53 HD2 PRO 10 1HD PRO 10 14.360 -20.303 -4.662 54 HD3 PRO 10 2HD PRO 10 14.601 -18.634 -4.107 55 H SER 11 H SER 11 9.104 -18.956 -3.509 56 HA SER 11 HA SER 11 8.598 -21.472 -4.937 57 HB2 SER 11 1HB SER 11 8.128 -21.443 -2.503 58 HB3 SER 11 2HB SER 11 6.959 -20.148 -2.761 59 HG SER 11 HG SER 11 6.128 -22.384 -2.678 60 H THR 12 H THR 12 7.261 -21.556 -6.629 61 HA THR 12 HA THR 12 6.422 -19.294 -8.000 62 HB THR 12 HB THR 12 4.942 -20.816 -9.303 63 HG1 THR 12 1HG THR 12 5.701 -22.610 -7.240 64 HG21 THR 12 1HG2 THR 12 7.227 -20.643 -9.999 65 HG22 THR 12 2HG2 THR 12 6.775 -22.346 -10.071 66 HG23 THR 12 3HG2 THR 12 7.753 -21.749 -8.731 67 H GLN 13 H GLN 13 5.171 -17.802 -7.016 68 HA GLN 13 HA GLN 13 2.402 -18.406 -6.601 69 HB2 GLN 13 1HB GLN 13 3.771 -19.015 -4.428 70 HB3 GLN 13 2HB GLN 13 3.715 -17.277 -4.166 71 HG2 GLN 13 1HG GLN 13 1.254 -17.368 -4.332 72 HG3 GLN 13 2HG GLN 13 1.359 -19.122 -4.482 73 HE21 GLN 13 1HE2 GLN 13 0.209 -17.236 -2.423 74 HE22 GLN 13 2HE2 GLN 13 0.848 -17.806 -0.923 75 H ASN 14 H ASN 14 1.123 -16.485 -6.155 76 HA ASN 14 HA ASN 14 2.021 -14.244 -7.624 77 HB2 ASN 14 1HB ASN 14 -0.088 -13.213 -7.017 78 HB3 ASN 14 2HB ASN 14 -0.365 -14.910 -7.403 79 HD21 ASN 14 1HD2 ASN 14 -2.358 -14.097 -6.138 80 HD22 ASN 14 2HD2 ASN 14 -2.335 -14.430 -4.442 81 H GLY 15 H GLY 15 2.429 -12.102 -6.922 82 HA2 GLY 15 1HA GLY 15 3.548 -11.993 -4.197 83 HA3 GLY 15 2HA GLY 15 4.085 -11.007 -5.549 84 HA PRO 16 HA PRO 16 0.934 -8.759 -2.820 85 HB2 PRO 16 1HB PRO 16 2.631 -6.917 -1.772 86 HB3 PRO 16 2HB PRO 16 2.315 -8.478 -1.005 87 HG2 PRO 16 1HG PRO 16 4.620 -7.643 -2.723 88 HG3 PRO 16 2HG PRO 16 4.627 -8.596 -1.228 89 HD2 PRO 16 1HD PRO 16 4.822 -9.730 -3.679 90 HD3 PRO 16 2HD PRO 16 4.024 -10.538 -2.314 91 H VAL 17 H VAL 17 0.114 -6.662 -3.233 92 HA VAL 17 HA VAL 17 0.773 -5.652 -5.850 93 HB VAL 17 HB VAL 17 -1.234 -4.657 -3.823 94 HG11 VAL 17 1HG1 VAL 17 -1.083 -3.994 -6.757 95 HG12 VAL 17 2HG1 VAL 17 -2.161 -3.299 -5.545 96 HG13 VAL 17 3HG1 VAL 17 -0.431 -2.958 -5.488 97 HG21 VAL 17 1HG2 VAL 17 -2.234 -6.591 -4.407 98 HG22 VAL 17 2HG2 VAL 17 -2.681 -5.690 -5.856 99 HG23 VAL 17 3HG2 VAL 17 -1.281 -6.762 -5.881 100 H PHE 18 H PHE 18 1.801 -3.790 -6.369 101 HA PHE 18 HA PHE 18 2.928 -2.234 -4.135 102 HB2 PHE 18 1HB PHE 18 4.045 -2.856 -6.869 103 HB3 PHE 18 2HB PHE 18 4.719 -1.607 -5.828 104 HD1 PHE 18 1HD PHE 18 5.297 -2.404 -3.388 105 HD2 PHE 18 2HD PHE 18 4.922 -4.975 -6.759 106 HE1 PHE 18 1HE PHE 18 6.671 -4.095 -2.246 107 HE2 PHE 18 2HE PHE 18 6.294 -6.671 -5.622 108 HZ PHE 18 HZ PHE 18 7.171 -6.233 -3.363 109 H ALA 19 H ALA 19 2.407 -0.151 -3.985 110 HA ALA 19 HA ALA 19 1.472 1.273 -6.373 111 HB1 ALA 19 1HB ALA 19 -0.135 2.270 -4.349 112 HB2 ALA 19 2HB ALA 19 -0.633 1.192 -5.653 113 HB3 ALA 19 3HB ALA 19 -0.151 0.525 -4.094 114 H LYS 20 H LYS 20 2.679 3.025 -6.609 115 HA LYS 20 HA LYS 20 4.159 4.117 -4.372 116 HB2 LYS 20 1HB LYS 20 5.356 5.397 -5.974 117 HB3 LYS 20 2HB LYS 20 5.110 3.813 -6.696 118 HG2 LYS 20 1HG LYS 20 3.192 4.732 -7.959 119 HG3 LYS 20 2HG LYS 20 3.564 6.326 -7.297 120 HD2 LYS 20 1HD LYS 20 5.509 4.665 -8.896 121 HD3 LYS 20 2HD LYS 20 4.474 5.915 -9.591 122 HE2 LYS 20 1HE LYS 20 5.514 7.447 -7.789 123 HE3 LYS 20 2HE LYS 20 6.755 6.201 -7.668 124 HZ1 LYS 20 1HZ LYS 20 7.686 6.883 -9.550 125 HZ2 LYS 20 2HZ LYS 20 6.705 8.258 -9.460 126 HZ3 LYS 20 3HZ LYS 20 6.211 6.925 -10.378 127 H ALA 21 H ALA 21 3.869 6.093 -3.430 128 HA ALA 21 HA ALA 21 1.257 7.244 -3.585 129 HB1 ALA 21 1HB ALA 21 2.873 9.005 -2.151 130 HB2 ALA 21 2HB ALA 21 1.836 7.736 -1.497 131 HB3 ALA 21 3HB ALA 21 3.536 7.402 -1.827 132 H ILE 22 H ILE 22 0.718 8.386 -5.343 133 HA ILE 22 HA ILE 22 2.576 9.881 -6.895 134 HB ILE 22 HB ILE 22 0.505 10.807 -8.000 135 HG12 ILE 22 1HG1 ILE 22 -0.958 8.768 -6.327 136 HG13 ILE 22 2HG1 ILE 22 -0.895 10.472 -5.891 137 HG21 ILE 22 1HG2 ILE 22 0.527 9.034 -9.369 138 HG22 ILE 22 2HG2 ILE 22 1.755 8.400 -8.275 139 HG23 ILE 22 3HG2 ILE 22 0.070 7.915 -8.085 140 HD11 ILE 22 1HD1 ILE 22 -2.357 9.123 -8.078 141 HD12 ILE 22 2HD1 ILE 22 -2.845 10.461 -7.038 142 HD13 ILE 22 3HD1 ILE 22 -1.743 10.747 -8.385 143 H GLN 23 H GLN 23 0.505 10.624 -4.201 144 HA GLN 23 HA GLN 23 1.391 13.430 -4.345 145 HB2 GLN 23 1HB GLN 23 -1.261 12.283 -3.506 146 HB3 GLN 23 2HB GLN 23 -0.746 13.883 -2.989 147 HG2 GLN 23 1HG GLN 23 -0.822 13.096 -5.881 148 HG3 GLN 23 2HG GLN 23 -2.236 13.731 -5.041 149 HE21 GLN 23 1HE2 GLN 23 -2.510 15.738 -5.714 150 HE22 GLN 23 2HE2 GLN 23 -1.286 16.954 -5.799 151 H LYS 24 H LYS 24 1.948 14.449 -2.402 152 HA LYS 24 HA LYS 24 3.166 12.770 -0.466 153 HB2 LYS 24 1HB LYS 24 3.825 15.155 -1.184 154 HB3 LYS 24 2HB LYS 24 2.586 15.695 -0.059 155 HG2 LYS 24 1HG LYS 24 3.741 14.880 1.794 156 HG3 LYS 24 2HG LYS 24 4.766 13.833 0.809 157 HD2 LYS 24 1HD LYS 24 6.040 15.643 0.019 158 HD3 LYS 24 2HD LYS 24 4.840 16.826 0.548 159 HE2 LYS 24 1HE LYS 24 6.148 15.069 2.574 160 HE3 LYS 24 2HE LYS 24 7.045 16.437 1.918 161 HZ1 LYS 24 1HZ LYS 24 5.627 16.759 4.025 162 HZ2 LYS 24 2HZ LYS 24 4.317 16.822 2.957 163 HZ3 LYS 24 3HZ LYS 24 5.574 17.946 2.820 164 H ARG 25 H ARG 25 2.386 11.936 1.361 165 HA ARG 25 HA ARG 25 -0.254 12.862 2.282 166 HB2 ARG 25 1HB ARG 25 -0.136 10.509 1.472 167 HB3 ARG 25 2HB ARG 25 1.034 10.167 2.739 168 HG2 ARG 25 1HG ARG 25 -0.900 9.425 3.709 169 HG3 ARG 25 2HG ARG 25 -0.837 11.082 4.313 170 HD2 ARG 25 1HD ARG 25 -2.281 10.426 1.772 171 HD3 ARG 25 2HD ARG 25 -3.056 10.181 3.336 172 HE ARG 25 HE ARG 25 -2.520 12.691 2.038 173 HH11 ARG 25 2HH1 ARG 25 -3.100 11.101 5.080 174 HH12 ARG 25 1HH1 ARG 25 -3.679 12.532 5.867 175 HH21 ARG 25 2HH2 ARG 25 -3.282 14.582 3.062 176 HH22 ARG 25 1HH2 ARG 25 -3.783 14.511 4.717 177 H VAL 26 H VAL 26 -0.244 13.984 4.105 178 HA VAL 26 HA VAL 26 1.839 13.401 6.110 179 HB VAL 26 HB VAL 26 0.607 16.101 5.540 180 HG11 VAL 26 1HG1 VAL 26 1.140 16.141 7.797 181 HG12 VAL 26 2HG1 VAL 26 2.556 15.109 7.585 182 HG13 VAL 26 3HG1 VAL 26 2.597 16.787 7.043 183 HG21 VAL 26 1HG2 VAL 26 2.456 16.691 4.332 184 HG22 VAL 26 2HG2 VAL 26 3.500 15.527 5.149 185 HG23 VAL 26 3HG2 VAL 26 2.364 14.980 3.916 186 HA PRO 27 HA PRO 27 -2.118 12.535 8.209 187 HB2 PRO 27 1HB PRO 27 -1.032 10.773 9.966 188 HB3 PRO 27 2HB PRO 27 -1.513 10.321 8.326 189 HG2 PRO 27 1HG PRO 27 1.207 10.985 9.387 190 HG3 PRO 27 2HG PRO 27 0.724 9.685 8.282 191 HD2 PRO 27 1HD PRO 27 1.865 11.983 7.417 192 HD3 PRO 27 2HD PRO 27 0.674 11.087 6.453 193 H CYS 28 H CYS 28 -2.791 12.860 10.428 194 HA CYS 28 HA CYS 28 -1.450 15.083 11.642 195 HB2 CYS 28 1HB CYS 28 -3.975 13.573 12.138 196 HB3 CYS 28 2HB CYS 28 -3.318 14.541 13.452 197 HG CYS 28 HG CYS 28 -5.265 15.537 11.132 198 H ALA 29 H ALA 29 -0.283 15.163 13.507 199 HA ALA 29 HA ALA 29 1.164 12.903 14.310 200 HB1 ALA 29 1HB ALA 29 0.747 15.453 15.864 201 HB2 ALA 29 2HB ALA 29 2.054 14.288 16.082 202 HB3 ALA 29 3HB ALA 29 1.945 15.223 14.590 203 H TYR 30 H TYR 30 -1.894 14.154 15.358 204 HA TYR 30 HA TYR 30 -1.978 12.796 17.868 205 HB2 TYR 30 1HB TYR 30 -4.366 13.710 16.270 206 HB3 TYR 30 2HB TYR 30 -4.237 13.525 18.015 207 HD1 TYR 30 2HD TYR 30 -2.983 15.176 19.348 208 HD2 TYR 30 1HD TYR 30 -3.584 15.692 15.167 209 HE1 TYR 30 2HE TYR 30 -2.366 17.548 19.557 210 HE2 TYR 30 1HE TYR 30 -2.967 18.065 15.365 211 HH TYR 30 HH TYR 30 -1.379 19.346 17.902 212 H ASP 31 H ASP 31 -2.445 11.842 14.622 213 HA ASP 31 HA ASP 31 -4.007 9.485 15.365 214 HB2 ASP 31 1HB ASP 31 -4.470 10.948 13.289 215 HB3 ASP 31 2HB ASP 31 -3.067 10.148 12.584 216 H LYS 32 H LYS 32 -3.318 7.359 14.806 217 HA LYS 32 HA LYS 32 -0.396 7.090 14.527 218 HB2 LYS 32 1HB LYS 32 -2.314 5.566 16.282 219 HB3 LYS 32 2HB LYS 32 -0.726 4.933 15.867 220 HG2 LYS 32 1HG LYS 32 -0.310 5.938 17.886 221 HG3 LYS 32 2HG LYS 32 0.121 7.227 16.759 222 HD2 LYS 32 1HD LYS 32 -1.973 8.329 17.113 223 HD3 LYS 32 2HD LYS 32 -2.593 6.964 18.046 224 HE2 LYS 32 1HE LYS 32 -0.142 8.469 18.902 225 HE3 LYS 32 2HE LYS 32 -1.759 9.030 19.324 226 HZ1 LYS 32 1HZ LYS 32 -0.276 6.728 20.308 227 HZ2 LYS 32 2HZ LYS 32 -1.935 6.497 20.069 228 HZ3 LYS 32 3HZ LYS 32 -1.392 7.719 21.105 229 H THR 33 H THR 33 -3.553 5.637 13.897 230 HA THR 33 HA THR 33 -2.622 3.459 12.358 231 HB THR 33 HB THR 33 -4.962 3.392 11.448 232 HG1 THR 33 1HG THR 33 -5.429 5.628 11.578 233 HG21 THR 33 1HG2 THR 33 -5.913 2.585 13.445 234 HG22 THR 33 2HG2 THR 33 -4.986 3.708 14.439 235 HG23 THR 33 3HG2 THR 33 -4.177 2.355 13.649 236 H ALA 34 H ALA 34 -3.250 6.802 11.605 237 HA ALA 34 HA ALA 34 -3.461 6.601 8.806 238 HB1 ALA 34 1HB ALA 34 -2.155 9.012 9.894 239 HB2 ALA 34 2HB ALA 34 -3.546 8.857 8.819 240 HB3 ALA 34 3HB ALA 34 -3.743 8.622 10.556 241 H LEU 35 H LEU 35 -1.995 5.760 7.484 242 HA LEU 35 HA LEU 35 0.776 5.561 8.193 243 HB2 LEU 35 1HB LEU 35 -0.761 4.021 6.701 244 HB3 LEU 35 2HB LEU 35 -0.184 5.081 5.417 245 HG LEU 35 HG LEU 35 1.536 3.374 7.217 246 HD11 LEU 35 1HD1 LEU 35 0.887 3.110 4.285 247 HD12 LEU 35 2HD1 LEU 35 0.252 2.089 5.574 248 HD13 LEU 35 3HD1 LEU 35 1.977 2.079 5.211 249 HD21 LEU 35 1HD2 LEU 35 2.159 5.430 5.139 250 HD22 LEU 35 2HD2 LEU 35 3.244 4.061 5.382 251 HD23 LEU 35 3HD2 LEU 35 2.905 5.166 6.715 252 H ALA 36 H ALA 36 2.430 6.838 7.617 253 HA ALA 36 HA ALA 36 1.811 9.244 6.073 254 HB1 ALA 36 1HB ALA 36 2.890 10.042 7.890 255 HB2 ALA 36 2HB ALA 36 3.779 8.542 8.158 256 HB3 ALA 36 3HB ALA 36 4.320 9.678 6.922 257 H LEU 37 H LEU 37 2.668 9.683 4.121 258 HA LEU 37 HA LEU 37 4.890 8.070 3.123 259 HB2 LEU 37 1HB LEU 37 2.331 8.433 1.575 260 HB3 LEU 37 2HB LEU 37 3.763 7.546 1.055 261 HG LEU 37 HG LEU 37 2.119 6.733 3.442 262 HD11 LEU 37 1HD1 LEU 37 1.095 5.052 1.958 263 HD12 LEU 37 2HD1 LEU 37 1.856 5.840 0.576 264 HD13 LEU 37 3HD1 LEU 37 0.649 6.703 1.529 265 HD21 LEU 37 1HD2 LEU 37 4.528 5.768 2.119 266 HD22 LEU 37 2HD2 LEU 37 3.295 4.521 2.309 267 HD23 LEU 37 3HD2 LEU 37 3.887 5.398 3.720 268 H GLU 38 H GLU 38 5.755 8.936 1.049 269 HA GLU 38 HA GLU 38 5.199 11.798 0.693 270 HB2 GLU 38 1HB GLU 38 7.867 10.496 1.179 271 HB3 GLU 38 2HB GLU 38 7.741 12.034 0.337 272 HG2 GLU 38 1HG GLU 38 6.957 13.146 2.215 273 HG3 GLU 38 2HG GLU 38 6.463 11.653 3.012 274 H VAL 39 H VAL 39 5.504 12.600 -1.382 275 HA VAL 39 HA VAL 39 4.836 11.147 -3.546 276 HB VAL 39 HB VAL 39 6.855 13.395 -3.607 277 HG11 VAL 39 1HG1 VAL 39 6.953 12.842 -5.778 278 HG12 VAL 39 2HG1 VAL 39 5.499 11.845 -5.691 279 HG13 VAL 39 3HG1 VAL 39 5.362 13.594 -5.879 280 HG21 VAL 39 1HG2 VAL 39 4.618 14.625 -4.259 281 HG22 VAL 39 2HG2 VAL 39 3.892 13.325 -3.314 282 HG23 VAL 39 3HG2 VAL 39 5.076 14.401 -2.571 283 H GLY 40 H GLY 40 5.632 9.306 -4.316 284 HA2 GLY 40 1HA GLY 40 7.255 8.112 -5.559 285 HA3 GLY 40 2HA GLY 40 8.502 9.147 -4.878 286 H ASP 41 H ASP 41 5.969 7.326 -3.198 287 HA ASP 41 HA ASP 41 8.080 5.691 -1.954 288 HB2 ASP 41 1HB ASP 41 5.891 7.274 -0.686 289 HB3 ASP 41 2HB ASP 41 6.342 5.740 0.053 290 H ILE 42 H ILE 42 7.807 3.608 -2.354 291 HA ILE 42 HA ILE 42 5.387 2.593 -3.493 292 HB ILE 42 HB ILE 42 7.837 1.117 -2.520 293 HG12 ILE 42 1HG1 ILE 42 8.371 2.646 -4.328 294 HG13 ILE 42 2HG1 ILE 42 8.387 0.995 -4.939 295 HG21 ILE 42 1HG2 ILE 42 7.039 -0.791 -3.707 296 HG22 ILE 42 2HG2 ILE 42 5.742 -0.243 -2.647 297 HG23 ILE 42 3HG2 ILE 42 5.682 0.119 -4.372 298 HD11 ILE 42 1HD1 ILE 42 6.805 3.253 -5.770 299 HD12 ILE 42 2HD1 ILE 42 7.061 1.699 -6.565 300 HD13 ILE 42 3HD1 ILE 42 5.788 1.872 -5.357 301 H VAL 43 H VAL 43 3.670 1.812 -2.473 302 HA VAL 43 HA VAL 43 3.916 1.147 0.384 303 HB VAL 43 HB VAL 43 1.360 1.769 -1.093 304 HG11 VAL 43 1HG1 VAL 43 0.773 2.390 1.379 305 HG12 VAL 43 2HG1 VAL 43 0.732 0.707 0.850 306 HG13 VAL 43 3HG1 VAL 43 2.118 1.314 1.757 307 HG21 VAL 43 1HG2 VAL 43 3.433 3.562 -0.562 308 HG22 VAL 43 2HG2 VAL 43 1.769 3.954 -0.995 309 HG23 VAL 43 3HG2 VAL 43 2.237 3.847 0.702 310 H LYS 44 H LYS 44 4.314 -0.992 0.492 311 HA LYS 44 HA LYS 44 3.059 -2.873 -1.292 312 HB2 LYS 44 1HB LYS 44 5.386 -3.116 -0.341 313 HB3 LYS 44 2HB LYS 44 4.639 -3.476 1.210 314 HG2 LYS 44 1HG LYS 44 3.405 -5.343 -0.010 315 HG3 LYS 44 2HG LYS 44 4.556 -5.080 -1.322 316 HD2 LYS 44 1HD LYS 44 5.554 -6.769 -0.073 317 HD3 LYS 44 2HD LYS 44 6.355 -5.311 0.517 318 HE2 LYS 44 1HE LYS 44 5.835 -6.386 2.488 319 HE3 LYS 44 2HE LYS 44 4.445 -5.318 2.291 320 HZ1 LYS 44 1HZ LYS 44 3.228 -7.183 1.310 321 HZ2 LYS 44 2HZ LYS 44 3.727 -7.525 2.890 322 HZ3 LYS 44 3HZ LYS 44 4.554 -8.199 1.577 323 H VAL 45 H VAL 45 0.960 -3.293 -1.036 324 HA VAL 45 HA VAL 45 -0.108 -3.559 1.692 325 HB VAL 45 HB VAL 45 -1.430 -1.967 0.626 326 HG11 VAL 45 1HG1 VAL 45 -2.378 -2.440 -1.713 327 HG12 VAL 45 2HG1 VAL 45 -0.681 -1.971 -1.586 328 HG13 VAL 45 3HG1 VAL 45 -1.114 -3.664 -1.827 329 HG21 VAL 45 1HG2 VAL 45 -3.580 -2.928 0.457 330 HG22 VAL 45 2HG2 VAL 45 -2.930 -4.479 -0.076 331 HG23 VAL 45 3HG2 VAL 45 -2.690 -3.947 1.588 332 H THR 46 H THR 46 -0.672 -5.500 2.422 333 HA THR 46 HA THR 46 -0.729 -7.740 0.526 334 HB THR 46 HB THR 46 -0.408 -9.202 2.462 335 HG1 THR 46 1HG THR 46 -0.431 -6.762 3.939 336 HG21 THR 46 1HG2 THR 46 1.857 -8.614 2.977 337 HG22 THR 46 2HG2 THR 46 1.564 -6.921 2.579 338 HG23 THR 46 3HG2 THR 46 1.546 -8.142 1.307 339 H ARG 47 H ARG 47 -2.692 -5.926 2.719 340 HA ARG 47 HA ARG 47 -4.954 -7.711 2.119 341 HB2 ARG 47 1HB ARG 47 -4.005 -7.763 4.540 342 HB3 ARG 47 2HB ARG 47 -4.790 -6.198 4.706 343 HG2 ARG 47 1HG ARG 47 -6.909 -7.089 4.534 344 HG3 ARG 47 2HG ARG 47 -6.344 -8.533 3.689 345 HD2 ARG 47 1HD ARG 47 -5.410 -8.049 6.474 346 HD3 ARG 47 2HD ARG 47 -7.062 -8.613 6.226 347 HE ARG 47 HE ARG 47 -4.686 -10.153 5.988 348 HH11 ARG 47 2HH1 ARG 47 -7.871 -9.742 4.643 349 HH12 ARG 47 1HH1 ARG 47 -8.001 -11.387 4.114 350 HH21 ARG 47 2HH2 ARG 47 -4.846 -12.320 5.296 351 HH22 ARG 47 1HH2 ARG 47 -6.280 -12.852 4.486 352 H MET 48 H MET 48 -6.564 -6.714 1.109 353 HA MET 48 HA MET 48 -6.762 -3.784 1.349 354 HB2 MET 48 1HB MET 48 -7.061 -5.622 -0.984 355 HB3 MET 48 2HB MET 48 -8.032 -4.156 -0.944 356 HG2 MET 48 1HG MET 48 -6.113 -2.776 -0.921 357 HG3 MET 48 2HG MET 48 -5.049 -4.144 -0.605 358 HE1 MET 48 1HE MET 48 -5.693 -1.676 -3.149 359 HE2 MET 48 2HE MET 48 -4.093 -2.294 -2.736 360 HE3 MET 48 3HE MET 48 -4.710 -2.470 -4.380 361 H ASN 49 H ASN 49 -8.309 -3.503 2.866 362 HA ASN 49 HA ASN 49 -10.575 -5.171 3.179 363 HB2 ASN 49 1HB ASN 49 -10.486 -2.312 4.107 364 HB3 ASN 49 2HB ASN 49 -11.250 -3.699 4.878 365 HD21 ASN 49 1HD2 ASN 49 -9.589 -1.957 6.239 366 HD22 ASN 49 2HD2 ASN 49 -8.149 -2.795 6.697 367 H ILE 50 H ILE 50 -12.534 -5.130 2.256 368 HA ILE 50 HA ILE 50 -13.059 -3.885 -0.138 369 HB ILE 50 HB ILE 50 -15.096 -4.692 1.941 370 HG12 ILE 50 1HG1 ILE 50 -14.155 -6.276 -0.448 371 HG13 ILE 50 2HG1 ILE 50 -13.423 -6.442 1.144 372 HG21 ILE 50 1HG2 ILE 50 -15.935 -4.966 -0.797 373 HG22 ILE 50 2HG2 ILE 50 -16.701 -4.092 0.528 374 HG23 ILE 50 3HG2 ILE 50 -15.466 -3.302 -0.452 375 HD11 ILE 50 1HD1 ILE 50 -15.559 -7.146 2.064 376 HD12 ILE 50 2HD1 ILE 50 -16.312 -6.953 0.480 377 HD13 ILE 50 3HD1 ILE 50 -15.070 -8.181 0.722 378 H ASN 51 H ASN 51 -13.942 -2.780 3.117 379 HA ASN 51 HA ASN 51 -15.524 -0.644 2.665 380 HB2 ASN 51 1HB ASN 51 -14.935 -1.090 4.908 381 HB3 ASN 51 2HB ASN 51 -13.213 -0.932 4.576 382 HD21 ASN 51 1HD2 ASN 51 -12.279 0.940 5.008 383 HD22 ASN 51 2HD2 ASN 51 -13.101 2.426 5.328 384 H GLY 52 H GLY 52 -11.967 -0.560 2.445 385 HA2 GLY 52 1HA GLY 52 -11.539 0.821 0.207 386 HA3 GLY 52 2HA GLY 52 -12.074 2.107 1.280 387 H GLN 53 H GLN 53 -10.896 1.436 3.652 388 HA GLN 53 HA GLN 53 -8.210 2.274 3.202 389 HB2 GLN 53 1HB GLN 53 -9.815 1.553 5.631 390 HB3 GLN 53 2HB GLN 53 -8.077 1.792 5.760 391 HG2 GLN 53 1HG GLN 53 -8.780 3.892 6.239 392 HG3 GLN 53 2HG GLN 53 -8.641 4.030 4.487 393 HE21 GLN 53 1HE2 GLN 53 -10.785 3.904 7.192 394 HE22 GLN 53 2HE2 GLN 53 -12.229 4.316 6.338 395 H TRP 54 H TRP 54 -6.517 1.046 2.750 396 HA TRP 54 HA TRP 54 -6.672 -1.834 3.296 397 HB2 TRP 54 1HB TRP 54 -4.612 -0.474 1.566 398 HB3 TRP 54 2HB TRP 54 -5.102 -2.166 1.557 399 HD1 TRP 54 HD TRP 54 -8.301 -1.537 1.444 400 HE1 TRP 54 1HE TRP 54 -9.296 -0.764 -0.800 401 HE3 TRP 54 3HE TRP 54 -4.026 0.136 -0.806 402 HZ2 TRP 54 2HZ TRP 54 -8.389 0.400 -3.206 403 HZ3 TRP 54 3HZ TRP 54 -4.176 1.064 -3.080 404 HH2 TRP 54 HH TRP 54 -6.313 1.192 -4.254 405 H GLU 55 H GLU 55 -4.401 -2.833 3.681 406 HA GLU 55 HA GLU 55 -3.031 -1.207 5.723 407 HB2 GLU 55 1HB GLU 55 -4.408 -3.336 6.383 408 HB3 GLU 55 2HB GLU 55 -3.004 -4.202 5.776 409 HG2 GLU 55 1HG GLU 55 -1.684 -2.603 7.352 410 HG3 GLU 55 2HG GLU 55 -3.246 -2.413 8.147 411 H GLY 56 H GLY 56 -1.053 -0.634 5.129 412 HA2 GLY 56 1HA GLY 56 0.588 -2.585 3.653 413 HA3 GLY 56 2HA GLY 56 0.460 -0.931 3.073 414 H GLU 57 H GLU 57 2.875 -2.255 3.803 415 HA GLU 57 HA GLU 57 3.634 -0.772 6.232 416 HB2 GLU 57 1HB GLU 57 3.888 -3.269 6.293 417 HB3 GLU 57 2HB GLU 57 5.075 -3.126 5.005 418 HG2 GLU 57 1HG GLU 57 6.306 -1.528 6.588 419 HG3 GLU 57 2HG GLU 57 5.265 -2.197 7.843 420 H VAL 58 H VAL 58 4.932 0.917 5.987 421 HA VAL 58 HA VAL 58 6.812 0.981 3.739 422 HB VAL 58 HB VAL 58 4.883 3.205 4.415 423 HG11 VAL 58 1HG1 VAL 58 5.988 4.561 2.794 424 HG12 VAL 58 2HG1 VAL 58 7.217 3.971 3.915 425 HG13 VAL 58 3HG1 VAL 58 7.049 3.234 2.321 426 HG21 VAL 58 1HG2 VAL 58 4.572 1.042 2.726 427 HG22 VAL 58 2HG2 VAL 58 3.653 2.546 2.673 428 HG23 VAL 58 3HG2 VAL 58 5.073 2.344 1.647 429 H ASN 59 H ASN 59 8.782 1.556 4.379 430 HA ASN 59 HA ASN 59 10.497 2.209 5.728 431 HB2 ASN 59 1HB ASN 59 8.543 4.452 5.795 432 HB3 ASN 59 2HB ASN 59 9.866 4.500 6.956 433 HD21 ASN 59 1HD2 ASN 59 9.046 4.404 3.557 434 HD22 ASN 59 2HD2 ASN 59 10.547 5.037 2.981 435 H GLY 60 H GLY 60 8.896 0.264 6.889 436 HA2 GLY 60 1HA GLY 60 8.611 -0.765 8.923 437 HA3 GLY 60 2HA GLY 60 9.629 0.492 9.611 438 H ARG 61 H ARG 61 6.569 0.990 7.932 439 HA ARG 61 HA ARG 61 5.232 1.549 10.470 440 HB2 ARG 61 1HB ARG 61 5.802 3.542 8.311 441 HB3 ARG 61 2HB ARG 61 4.307 3.675 9.229 442 HG2 ARG 61 1HG ARG 61 5.625 3.760 11.310 443 HG3 ARG 61 2HG ARG 61 7.103 3.716 10.345 444 HD2 ARG 61 1HD ARG 61 6.661 5.995 10.910 445 HD3 ARG 61 2HD ARG 61 6.323 5.786 9.193 446 HE ARG 61 HE ARG 61 4.087 6.179 9.604 447 HH11 ARG 61 2HH1 ARG 61 5.815 5.826 12.605 448 HH12 ARG 61 1HH1 ARG 61 4.501 6.396 13.580 449 HH21 ARG 61 2HH2 ARG 61 2.350 6.931 10.876 450 HH22 ARG 61 1HH2 ARG 61 2.530 7.024 12.596 451 H LYS 62 H LYS 62 3.238 0.746 10.480 452 HA LYS 62 HA LYS 62 1.967 0.144 7.890 453 HB2 LYS 62 1HB LYS 62 1.930 -1.334 10.512 454 HB3 LYS 62 2HB LYS 62 0.693 -1.601 9.291 455 HG2 LYS 62 1HG LYS 62 2.599 -2.095 7.686 456 HG3 LYS 62 2HG LYS 62 3.635 -2.161 9.114 457 HD2 LYS 62 1HD LYS 62 1.112 -3.751 9.081 458 HD3 LYS 62 2HD LYS 62 2.504 -4.335 8.165 459 HE2 LYS 62 1HE LYS 62 2.872 -5.348 10.190 460 HE3 LYS 62 2HE LYS 62 3.781 -3.853 10.405 461 HZ1 LYS 62 1HZ LYS 62 1.468 -3.045 11.322 462 HZ2 LYS 62 2HZ LYS 62 2.574 -3.856 12.312 463 HZ3 LYS 62 3HZ LYS 62 1.268 -4.695 11.640 464 H GLY 63 H GLY 63 0.230 1.322 7.447 465 HA2 GLY 63 1HA GLY 63 -1.698 1.924 9.540 466 HA3 GLY 63 2HA GLY 63 -0.915 3.316 8.807 467 H LEU 64 H LEU 64 -3.593 3.178 8.633 468 HA LEU 64 HA LEU 64 -4.372 1.923 6.143 469 HB2 LEU 64 1HB LEU 64 -5.851 3.650 8.116 470 HB3 LEU 64 2HB LEU 64 -6.575 3.030 6.634 471 HG LEU 64 HG LEU 64 -5.607 1.429 8.998 472 HD11 LEU 64 1HD1 LEU 64 -7.989 0.724 9.055 473 HD12 LEU 64 2HD1 LEU 64 -8.332 1.928 7.813 474 HD13 LEU 64 3HD1 LEU 64 -7.743 2.437 9.396 475 HD21 LEU 64 1HD2 LEU 64 -6.757 -0.432 7.557 476 HD22 LEU 64 2HD2 LEU 64 -5.068 -0.003 7.285 477 HD23 LEU 64 3HD2 LEU 64 -6.322 0.627 6.216 478 H PHE 65 H PHE 65 -4.173 2.845 4.222 479 HA PHE 65 HA PHE 65 -4.133 5.787 4.068 480 HB2 PHE 65 1HB PHE 65 -2.523 5.602 2.213 481 HB3 PHE 65 2HB PHE 65 -1.880 4.913 3.700 482 HD1 PHE 65 1HD PHE 65 -1.939 2.404 3.984 483 HD2 PHE 65 2HD PHE 65 -2.669 4.331 0.260 484 HE1 PHE 65 1HE PHE 65 -1.471 0.295 2.805 485 HE2 PHE 65 2HE PHE 65 -2.203 2.226 -0.925 486 HZ PHE 65 HZ PHE 65 -1.604 0.204 0.348 487 HA PRO 66 HA PRO 66 -7.448 5.400 1.201 488 HB2 PRO 66 1HB PRO 66 -7.167 7.761 -0.110 489 HB3 PRO 66 2HB PRO 66 -7.801 7.646 1.536 490 HG2 PRO 66 1HG PRO 66 -5.041 8.351 0.614 491 HG3 PRO 66 2HG PRO 66 -6.021 9.100 1.888 492 HD2 PRO 66 1HD PRO 66 -4.044 7.329 2.423 493 HD3 PRO 66 2HD PRO 66 -5.504 7.461 3.424 494 H PHE 67 H PHE 67 -7.905 5.108 -1.029 495 HA PHE 67 HA PHE 67 -5.597 4.224 -2.559 496 HB2 PHE 67 1HB PHE 67 -7.325 3.318 -4.126 497 HB3 PHE 67 2HB PHE 67 -7.460 2.701 -2.483 498 HD1 PHE 67 2HD PHE 67 -8.943 4.962 -4.972 499 HD2 PHE 67 1HD PHE 67 -9.375 3.153 -1.144 500 HE1 PHE 67 2HE PHE 67 -11.298 5.674 -4.905 501 HE2 PHE 67 1HE PHE 67 -11.730 3.861 -1.071 502 HZ PHE 67 HZ PHE 67 -12.694 5.124 -2.953 503 H THR 68 H THR 68 -7.573 6.964 -2.325 504 HA THR 68 HA THR 68 -7.360 7.791 -5.079 505 HB THR 68 HB THR 68 -8.266 9.975 -4.209 506 HG1 THR 68 1HG THR 68 -7.415 9.244 -1.950 507 HG21 THR 68 1HG2 THR 68 -10.389 9.187 -4.348 508 HG22 THR 68 2HG2 THR 68 -10.111 7.919 -3.155 509 HG23 THR 68 3HG2 THR 68 -9.566 7.700 -4.817 510 H HIS 69 H HIS 69 -5.279 7.784 -2.448 511 HA HIS 69 HA HIS 69 -3.845 10.194 -3.259 512 HB2 HIS 69 1HB HIS 69 -3.721 8.363 -0.894 513 HB3 HIS 69 2HB HIS 69 -2.320 9.357 -1.286 514 HD1 HIS 69 1HD HIS 69 -6.010 9.762 -0.500 515 HD2 HIS 69 2HD HIS 69 -2.456 11.909 -0.351 516 HE1 HIS 69 1HE HIS 69 -6.574 11.915 0.671 517 HE2 HIS 69 2HE HIS 69 -4.427 13.233 0.674 518 H VAL 70 H VAL 70 -3.490 6.696 -3.210 519 HA VAL 70 HA VAL 70 -0.885 6.932 -4.543 520 HB VAL 70 HB VAL 70 -0.553 4.579 -4.052 521 HG11 VAL 70 1HG1 VAL 70 -0.477 6.587 -2.242 522 HG12 VAL 70 2HG1 VAL 70 -1.544 5.447 -1.421 523 HG13 VAL 70 3HG1 VAL 70 0.071 4.943 -1.919 524 HG21 VAL 70 1HG2 VAL 70 -3.424 4.721 -3.272 525 HG22 VAL 70 2HG2 VAL 70 -2.560 3.476 -4.176 526 HG23 VAL 70 3HG2 VAL 70 -2.370 3.587 -2.426 527 H LYS 71 H LYS 71 -0.481 5.198 -6.241 528 HA LYS 71 HA LYS 71 -2.879 4.674 -7.852 529 HB2 LYS 71 1HB LYS 71 -1.561 6.745 -8.602 530 HB3 LYS 71 2HB LYS 71 -0.306 5.618 -9.100 531 HG2 LYS 71 1HG LYS 71 -1.761 4.583 -10.681 532 HG3 LYS 71 2HG LYS 71 -3.149 5.491 -10.076 533 HD2 LYS 71 1HD LYS 71 -1.615 7.554 -10.694 534 HD3 LYS 71 2HD LYS 71 -0.889 6.383 -11.797 535 HE2 LYS 71 1HE LYS 71 -3.321 5.884 -12.502 536 HE3 LYS 71 2HE LYS 71 -3.701 7.420 -11.724 537 HZ1 LYS 71 1HZ LYS 71 -1.770 8.284 -13.195 538 HZ2 LYS 71 2HZ LYS 71 -3.301 8.059 -13.876 539 HZ3 LYS 71 3HZ LYS 71 -2.087 6.908 -14.127 540 H ILE 72 H ILE 72 -2.984 2.646 -8.571 541 HA ILE 72 HA ILE 72 -0.948 0.765 -7.921 542 HB ILE 72 HB ILE 72 -3.350 0.376 -9.711 543 HG12 ILE 72 1HG1 ILE 72 -3.969 1.178 -7.462 544 HG13 ILE 72 2HG1 ILE 72 -4.478 -0.486 -7.723 545 HG21 ILE 72 1HG2 ILE 72 -1.843 -1.408 -10.073 546 HG22 ILE 72 2HG2 ILE 72 -1.474 -1.543 -8.355 547 HG23 ILE 72 3HG2 ILE 72 -3.062 -2.020 -8.955 548 HD11 ILE 72 1HD1 ILE 72 -2.937 0.552 -5.618 549 HD12 ILE 72 2HD1 ILE 72 -3.374 -1.130 -5.924 550 HD13 ILE 72 3HD1 ILE 72 -1.870 -0.477 -6.573 551 H PHE 73 H PHE 73 0.899 0.603 -8.999 552 HA PHE 73 HA PHE 73 0.832 0.847 -11.935 553 HB2 PHE 73 1HB PHE 73 2.794 2.045 -11.952 554 HB3 PHE 73 2HB PHE 73 2.129 2.589 -10.415 555 HD1 PHE 73 2HD PHE 73 4.614 0.392 -12.002 556 HD2 PHE 73 1HD PHE 73 3.172 2.036 -8.350 557 HE1 PHE 73 2HE PHE 73 6.648 -0.381 -10.855 558 HE2 PHE 73 1HE PHE 73 5.204 1.266 -7.197 559 HZ PHE 73 HZ PHE 73 6.945 0.054 -8.449 560 H ASP 74 H ASP 74 1.824 -0.709 -13.135 561 HA ASP 74 HA ASP 74 2.406 -3.199 -11.817 562 HB2 ASP 74 1HB ASP 74 2.146 -2.285 -14.647 563 HB3 ASP 74 2HB ASP 74 3.024 -3.779 -14.330 564 HA PRO 75 HA PRO 75 6.762 -2.693 -11.414 565 HB2 PRO 75 1HB PRO 75 7.470 -5.309 -11.259 566 HB3 PRO 75 2HB PRO 75 6.673 -4.449 -9.936 567 HG2 PRO 75 1HG PRO 75 5.492 -6.284 -11.985 568 HG3 PRO 75 2HG PRO 75 5.174 -6.200 -10.243 569 HD2 PRO 75 1HD PRO 75 3.515 -5.103 -12.081 570 HD3 PRO 75 2HD PRO 75 3.741 -4.408 -10.463 571 H GLN 76 H GLN 76 5.254 -4.139 -14.088 572 HA GLN 76 HA GLN 76 7.752 -4.688 -15.488 573 HB2 GLN 76 1HB GLN 76 4.888 -5.023 -16.397 574 HB3 GLN 76 2HB GLN 76 6.312 -5.554 -17.283 575 HG2 GLN 76 1HG GLN 76 6.835 -7.177 -15.621 576 HG3 GLN 76 2HG GLN 76 5.598 -6.545 -14.536 577 HE21 GLN 76 1HE2 GLN 76 6.262 -9.050 -16.430 578 HE22 GLN 76 2HE2 GLN 76 4.675 -9.503 -16.940 579 H ASN 77 H ASN 77 7.785 -2.105 -14.964 580 HA ASN 77 HA ASN 77 6.450 -0.376 -16.722 581 HB2 ASN 77 1HB ASN 77 8.950 -0.176 -15.084 582 HB3 ASN 77 2HB ASN 77 8.575 1.094 -16.245 583 HD21 ASN 77 1HD2 ASN 77 7.266 -0.692 -13.501 584 HD22 ASN 77 2HD2 ASN 77 6.273 0.592 -12.910 585 HA PRO 78 HA PRO 78 8.477 -1.456 -20.527 586 HB2 PRO 78 1HB PRO 78 7.326 0.486 -22.035 587 HB3 PRO 78 2HB PRO 78 6.471 -0.981 -21.543 588 HG2 PRO 78 1HG PRO 78 6.368 1.763 -20.350 589 HG3 PRO 78 2HG PRO 78 5.040 0.634 -20.675 590 HD2 PRO 78 1HD PRO 78 6.108 0.955 -18.208 591 HD3 PRO 78 2HD PRO 78 5.452 -0.596 -18.770 592 H ASP 79 H ASP 79 8.812 1.424 -18.734 593 HA ASP 79 HA ASP 79 10.212 3.176 -20.270 594 HB2 ASP 79 1HB ASP 79 11.228 4.007 -18.291 595 HB3 ASP 79 2HB ASP 79 9.668 3.357 -17.793 596 H GLU 80 H GLU 80 12.176 3.324 -21.208 597 HA GLU 80 HA GLU 80 13.671 0.947 -21.645 598 HB2 GLU 80 1HB GLU 80 14.245 3.834 -22.319 599 HB3 GLU 80 2HB GLU 80 15.266 2.496 -22.825 600 HG2 GLU 80 1HG GLU 80 13.855 3.050 -24.646 601 HG3 GLU 80 2HG GLU 80 13.286 1.519 -23.982 602 H ASN 81 H ASN 81 14.274 3.890 -19.760 603 HA ASN 81 HA ASN 81 16.861 3.414 -18.930 604 HB2 ASN 81 1HB ASN 81 16.189 4.708 -16.841 605 HB3 ASN 81 2HB ASN 81 15.887 5.507 -18.382 606 HD21 ASN 81 1HD2 ASN 81 14.608 4.866 -15.445 607 HD22 ASN 81 2HD2 ASN 81 12.927 5.017 -15.814 608 H GLU 82 H GLU 82 17.575 1.504 -18.212 609 HA GLU 82 HA GLU 82 15.991 0.090 -16.176 610 HB2 GLU 82 1HB GLU 82 17.894 -0.823 -18.292 611 HB3 GLU 82 2HB GLU 82 17.727 -1.786 -16.831 612 HG2 GLU 82 1HG GLU 82 15.179 -1.610 -17.342 613 HG3 GLU 82 2HG GLU 82 15.731 -1.233 -18.973 614 H SER 83 H SER 83 17.021 -0.751 -14.323 615 HA SER 83 HA SER 83 19.097 0.937 -13.294 616 HB2 SER 83 1HB SER 83 17.480 0.305 -11.699 617 HB3 SER 83 2HB SER 83 17.545 -1.391 -12.177 618 HG SER 83 HG SER 83 18.718 -0.572 -10.164 619 H GLY 84 H GLY 84 18.861 -2.601 -13.735 620 HA2 GLY 84 1HA GLY 84 21.777 -2.781 -13.590 621 HA3 GLY 84 2HA GLY 84 20.650 -4.130 -13.550 622 HA PRO 85 HA PRO 85 22.620 -3.679 -17.800 623 HB2 PRO 85 1HB PRO 85 23.853 -6.098 -17.823 624 HB3 PRO 85 2HB PRO 85 24.620 -4.634 -17.195 625 HG2 PRO 85 1HG PRO 85 23.263 -6.849 -15.707 626 HG3 PRO 85 2HG PRO 85 24.777 -6.008 -15.325 627 HD2 PRO 85 1HD PRO 85 22.436 -5.423 -14.096 628 HD3 PRO 85 2HD PRO 85 23.687 -4.200 -14.400 629 H SER 86 H SER 86 21.973 -4.792 -19.681 630 HA SER 86 HA SER 86 20.082 -7.004 -19.336 631 HB2 SER 86 1HB SER 86 18.636 -5.085 -19.424 632 HB3 SER 86 2HB SER 86 19.509 -4.423 -20.806 633 HG SER 86 HG SER 86 18.611 -5.905 -22.108 634 H SER 87 H SER 87 20.086 -8.482 -20.969 635 HA SER 87 HA SER 87 22.291 -8.367 -22.815 636 HB2 SER 87 1HB SER 87 21.545 -10.635 -23.476 637 HB3 SER 87 2HB SER 87 21.732 -10.482 -21.729 638 HG SER 87 HG SER 87 19.223 -9.946 -22.832 639 H GLY 88 H GLY 88 22.241 -8.091 -24.997 640 HA2 GLY 88 1HA GLY 88 20.210 -8.379 -26.785 641 HA3 GLY 88 2HA GLY 88 19.916 -6.791 -26.092 Start of MODEL 7 1 H1 GLY 1 H GLY 1 17.750 -21.136 28.742 2 HA2 GLY 1 1HA GLY 1 14.937 -21.124 27.868 3 HA3 GLY 1 2HA GLY 1 15.923 -19.685 27.654 4 H SER 2 H SER 2 15.166 -20.147 25.376 5 HA SER 2 HA SER 2 17.038 -22.012 24.070 6 HB2 SER 2 1HB SER 2 14.412 -22.339 23.950 7 HB3 SER 2 2HB SER 2 14.544 -21.117 22.686 8 HG SER 2 HG SER 2 16.348 -22.636 21.942 9 H SER 3 H SER 3 17.828 -21.376 21.964 10 HA SER 3 HA SER 3 18.485 -18.566 21.894 11 HB2 SER 3 1HB SER 3 19.875 -19.246 19.903 12 HB3 SER 3 2HB SER 3 20.265 -20.099 21.397 13 HG SER 3 HG SER 3 18.999 -21.036 19.082 14 H GLY 4 H GLY 4 17.008 -20.860 19.592 15 HA2 GLY 4 1HA GLY 4 14.806 -19.620 18.778 16 HA3 GLY 4 2HA GLY 4 16.025 -18.626 17.994 17 H SER 5 H SER 5 14.358 -19.687 16.298 18 HA SER 5 HA SER 5 15.960 -21.681 14.914 19 HB2 SER 5 1HB SER 5 13.038 -22.142 15.563 20 HB3 SER 5 2HB SER 5 14.013 -23.147 14.490 21 HG SER 5 HG SER 5 13.737 -23.479 17.031 22 H SER 6 H SER 6 15.313 -21.954 12.661 23 HA SER 6 HA SER 6 14.036 -19.513 11.626 24 HB2 SER 6 1HB SER 6 16.090 -21.338 10.359 25 HB3 SER 6 2HB SER 6 15.318 -19.987 9.530 26 HG SER 6 HG SER 6 17.046 -19.019 10.327 27 H GLY 7 H GLY 7 12.703 -19.688 9.728 28 HA2 GLY 7 1HA GLY 7 11.761 -22.352 9.006 29 HA3 GLY 7 2HA GLY 7 10.586 -21.287 9.762 30 HA PRO 8 HA PRO 8 10.633 -20.675 5.109 31 HB2 PRO 8 1HB PRO 8 8.022 -21.303 4.709 32 HB3 PRO 8 2HB PRO 8 9.316 -22.508 4.678 33 HG2 PRO 8 1HG PRO 8 7.415 -21.824 6.888 34 HG3 PRO 8 2HG PRO 8 7.952 -23.419 6.327 35 HD2 PRO 8 1HD PRO 8 8.985 -22.225 8.527 36 HD3 PRO 8 2HD PRO 8 9.943 -23.294 7.482 37 H LEU 9 H LEU 9 9.359 -19.094 3.898 38 HA LEU 9 HA LEU 9 8.516 -16.905 5.626 39 HB2 LEU 9 1HB LEU 9 9.128 -17.094 2.688 40 HB3 LEU 9 2HB LEU 9 8.455 -15.643 3.429 41 HG LEU 9 HG LEU 9 11.013 -16.813 4.456 42 HD11 LEU 9 1HD1 LEU 9 12.311 -15.880 2.825 43 HD12 LEU 9 2HD1 LEU 9 11.089 -14.691 2.374 44 HD13 LEU 9 3HD1 LEU 9 10.917 -16.370 1.862 45 HD21 LEU 9 1HD2 LEU 9 10.389 -13.913 4.226 46 HD22 LEU 9 2HD2 LEU 9 11.315 -14.778 5.453 47 HD23 LEU 9 3HD2 LEU 9 9.553 -14.859 5.457 48 HA PRO 10 HA PRO 10 4.209 -17.535 4.977 49 HB2 PRO 10 1HB PRO 10 3.327 -15.005 5.418 50 HB3 PRO 10 2HB PRO 10 3.884 -16.068 6.716 51 HG2 PRO 10 1HG PRO 10 5.349 -13.870 5.307 52 HG3 PRO 10 2HG PRO 10 5.305 -14.256 7.037 53 HD2 PRO 10 1HD PRO 10 7.370 -14.968 5.437 54 HD3 PRO 10 2HD PRO 10 6.859 -15.946 6.828 55 H SER 11 H SER 11 6.172 -15.781 2.907 56 HA SER 11 HA SER 11 4.656 -14.281 1.250 57 HB2 SER 11 1HB SER 11 7.094 -14.862 0.953 58 HB3 SER 11 2HB SER 11 6.574 -16.369 0.199 59 HG SER 11 HG SER 11 6.435 -13.755 -0.751 60 H THR 12 H THR 12 2.594 -14.702 0.740 61 HA THR 12 HA THR 12 1.490 -17.250 0.315 62 HB THR 12 HB THR 12 0.087 -15.338 0.884 63 HG1 THR 12 1HG THR 12 -1.579 -15.907 -0.455 64 HG21 THR 12 1HG2 THR 12 1.463 -13.758 -0.616 65 HG22 THR 12 2HG2 THR 12 -0.277 -13.492 -0.506 66 HG23 THR 12 3HG2 THR 12 0.405 -14.302 -1.916 67 H GLN 13 H GLN 13 0.410 -17.924 -1.758 68 HA GLN 13 HA GLN 13 2.309 -18.375 -3.749 69 HB2 GLN 13 1HB GLN 13 -0.649 -18.715 -3.560 70 HB3 GLN 13 2HB GLN 13 0.108 -18.863 -5.140 71 HG2 GLN 13 1HG GLN 13 1.267 -20.387 -2.868 72 HG3 GLN 13 2HG GLN 13 -0.248 -20.946 -3.577 73 HE21 GLN 13 1HE2 GLN 13 0.253 -22.642 -4.778 74 HE22 GLN 13 2HE2 GLN 13 1.500 -22.700 -5.973 75 H ASN 14 H ASN 14 -0.674 -16.469 -4.193 76 HA ASN 14 HA ASN 14 0.013 -15.256 -6.570 77 HB2 ASN 14 1HB ASN 14 -1.734 -13.703 -6.170 78 HB3 ASN 14 2HB ASN 14 -2.223 -15.182 -5.350 79 HD21 ASN 14 1HD2 ASN 14 -3.308 -14.608 -3.610 80 HD22 ASN 14 2HD2 ASN 14 -2.810 -13.430 -2.448 81 H GLY 15 H GLY 15 0.098 -12.628 -6.561 82 HA2 GLY 15 1HA GLY 15 2.539 -11.981 -5.026 83 HA3 GLY 15 2HA GLY 15 2.209 -11.377 -6.643 84 HA PRO 16 HA PRO 16 0.409 -8.662 -3.086 85 HB2 PRO 16 1HB PRO 16 2.528 -7.073 -2.489 86 HB3 PRO 16 2HB PRO 16 2.180 -8.575 -1.624 87 HG2 PRO 16 1HG PRO 16 4.142 -8.069 -3.827 88 HG3 PRO 16 2HG PRO 16 4.349 -9.013 -2.340 89 HD2 PRO 16 1HD PRO 16 3.846 -10.164 -4.739 90 HD3 PRO 16 2HD PRO 16 3.265 -10.853 -3.209 91 H VAL 17 H VAL 17 -0.156 -6.449 -3.355 92 HA VAL 17 HA VAL 17 0.263 -5.491 -6.083 93 HB VAL 17 HB VAL 17 -1.674 -4.581 -3.951 94 HG11 VAL 17 1HG1 VAL 17 -0.733 -3.196 -6.231 95 HG12 VAL 17 2HG1 VAL 17 -2.388 -3.707 -6.566 96 HG13 VAL 17 3HG1 VAL 17 -2.035 -2.739 -5.134 97 HG21 VAL 17 1HG2 VAL 17 -3.218 -5.482 -5.935 98 HG22 VAL 17 2HG2 VAL 17 -1.809 -6.511 -6.194 99 HG23 VAL 17 3HG2 VAL 17 -2.635 -6.522 -4.635 100 H PHE 18 H PHE 18 1.597 -3.874 -6.545 101 HA PHE 18 HA PHE 18 2.651 -2.257 -4.330 102 HB2 PHE 18 1HB PHE 18 3.788 -2.899 -7.054 103 HB3 PHE 18 2HB PHE 18 4.502 -1.719 -5.960 104 HD1 PHE 18 1HD PHE 18 4.627 -2.795 -3.415 105 HD2 PHE 18 2HD PHE 18 4.910 -4.886 -7.112 106 HE1 PHE 18 1HE PHE 18 5.887 -4.591 -2.300 107 HE2 PHE 18 2HE PHE 18 6.169 -6.685 -6.002 108 HZ PHE 18 HZ PHE 18 6.658 -6.539 -3.593 109 H ALA 19 H ALA 19 2.400 -0.096 -4.284 110 HA ALA 19 HA ALA 19 1.367 1.262 -6.670 111 HB1 ALA 19 1HB ALA 19 -0.543 0.645 -5.213 112 HB2 ALA 19 2HB ALA 19 0.167 1.624 -3.929 113 HB3 ALA 19 3HB ALA 19 -0.358 2.385 -5.430 114 H LYS 20 H LYS 20 2.325 3.161 -7.051 115 HA LYS 20 HA LYS 20 4.308 4.117 -5.157 116 HB2 LYS 20 1HB LYS 20 4.922 3.943 -7.515 117 HB3 LYS 20 2HB LYS 20 3.618 5.038 -7.954 118 HG2 LYS 20 1HG LYS 20 4.692 6.859 -6.808 119 HG3 LYS 20 2HG LYS 20 5.945 5.779 -6.192 120 HD2 LYS 20 1HD LYS 20 6.448 5.271 -8.654 121 HD3 LYS 20 2HD LYS 20 5.478 6.702 -9.013 122 HE2 LYS 20 1HE LYS 20 6.983 7.942 -7.385 123 HE3 LYS 20 2HE LYS 20 8.035 6.528 -7.438 124 HZ1 LYS 20 1HZ LYS 20 8.931 7.835 -9.072 125 HZ2 LYS 20 2HZ LYS 20 7.442 8.480 -9.550 126 HZ3 LYS 20 3HZ LYS 20 7.859 6.901 -9.989 127 H ALA 21 H ALA 21 4.051 5.800 -3.838 128 HA ALA 21 HA ALA 21 1.539 7.126 -3.635 129 HB1 ALA 21 1HB ALA 21 3.139 8.607 -2.048 130 HB2 ALA 21 2HB ALA 21 2.420 7.071 -1.562 131 HB3 ALA 21 3HB ALA 21 4.082 7.120 -2.151 132 H ILE 22 H ILE 22 0.870 8.717 -4.905 133 HA ILE 22 HA ILE 22 2.793 10.335 -6.370 134 HB ILE 22 HB ILE 22 0.853 11.244 -7.555 135 HG12 ILE 22 1HG1 ILE 22 -0.945 9.316 -6.135 136 HG13 ILE 22 2HG1 ILE 22 -0.615 10.882 -5.402 137 HG21 ILE 22 1HG2 ILE 22 1.674 8.498 -7.518 138 HG22 ILE 22 2HG2 ILE 22 -0.027 8.610 -7.966 139 HG23 ILE 22 3HG2 ILE 22 1.188 9.499 -8.886 140 HD11 ILE 22 1HD1 ILE 22 -2.639 11.044 -6.639 141 HD12 ILE 22 2HD1 ILE 22 -1.400 11.946 -7.511 142 HD13 ILE 22 3HD1 ILE 22 -1.885 10.347 -8.072 143 H GLN 23 H GLN 23 0.630 10.594 -3.669 144 HA GLN 23 HA GLN 23 1.275 13.461 -3.451 145 HB2 GLN 23 1HB GLN 23 -1.205 12.564 -3.701 146 HB3 GLN 23 2HB GLN 23 -1.034 12.279 -1.974 147 HG2 GLN 23 1HG GLN 23 -0.314 14.944 -3.096 148 HG3 GLN 23 2HG GLN 23 -2.010 14.525 -2.861 149 HE21 GLN 23 1HE2 GLN 23 0.237 16.265 -1.517 150 HE22 GLN 23 2HE2 GLN 23 -0.077 16.021 0.164 151 H LYS 24 H LYS 24 1.323 14.268 -1.170 152 HA LYS 24 HA LYS 24 2.877 12.400 0.454 153 HB2 LYS 24 1HB LYS 24 3.682 14.747 -0.134 154 HB3 LYS 24 2HB LYS 24 2.456 15.340 0.978 155 HG2 LYS 24 1HG LYS 24 3.499 14.205 2.820 156 HG3 LYS 24 2HG LYS 24 4.655 13.429 1.736 157 HD2 LYS 24 1HD LYS 24 5.812 15.236 2.719 158 HD3 LYS 24 2HD LYS 24 5.400 15.765 1.087 159 HE2 LYS 24 1HE LYS 24 4.743 17.611 2.249 160 HE3 LYS 24 2HE LYS 24 3.247 16.682 2.326 161 HZ1 LYS 24 1HZ LYS 24 3.920 17.620 4.483 162 HZ2 LYS 24 2HZ LYS 24 5.331 16.688 4.441 163 HZ3 LYS 24 3HZ LYS 24 3.820 15.931 4.515 164 H ARG 25 H ARG 25 1.835 11.269 1.946 165 HA ARG 25 HA ARG 25 -0.565 12.421 3.189 166 HB2 ARG 25 1HB ARG 25 -0.699 10.185 2.015 167 HB3 ARG 25 2HB ARG 25 0.337 9.542 3.283 168 HG2 ARG 25 1HG ARG 25 -1.887 8.994 3.863 169 HG3 ARG 25 2HG ARG 25 -1.388 10.301 4.940 170 HD2 ARG 25 1HD ARG 25 -2.551 11.915 3.516 171 HD3 ARG 25 2HD ARG 25 -3.046 10.610 2.439 172 HE ARG 25 HE ARG 25 -3.913 9.999 5.028 173 HH11 ARG 25 2HH1 ARG 25 -4.532 12.307 2.496 174 HH12 ARG 25 1HH1 ARG 25 -6.186 12.557 2.950 175 HH21 ARG 25 2HH2 ARG 25 -6.088 10.320 5.636 176 HH22 ARG 25 1HH2 ARG 25 -7.069 11.427 4.737 177 H VAL 26 H VAL 26 -0.445 13.140 5.205 178 HA VAL 26 HA VAL 26 1.683 12.087 6.953 179 HB VAL 26 HB VAL 26 1.872 14.264 8.010 180 HG11 VAL 26 1HG1 VAL 26 3.344 14.982 6.487 181 HG12 VAL 26 2HG1 VAL 26 2.815 13.602 5.521 182 HG13 VAL 26 3HG1 VAL 26 2.102 15.193 5.253 183 HG21 VAL 26 1HG2 VAL 26 0.644 16.110 6.431 184 HG22 VAL 26 2HG2 VAL 26 -0.545 14.807 6.439 185 HG23 VAL 26 3HG2 VAL 26 0.003 15.510 7.961 186 HA PRO 27 HA PRO 27 -1.726 10.930 9.547 187 HB2 PRO 27 1HB PRO 27 -0.242 10.142 11.680 188 HB3 PRO 27 2HB PRO 27 -0.409 9.169 10.213 189 HG2 PRO 27 1HG PRO 27 1.825 10.982 11.040 190 HG3 PRO 27 2HG PRO 27 1.906 9.370 10.306 191 HD2 PRO 27 1HD PRO 27 2.254 11.642 8.874 192 HD3 PRO 27 2HD PRO 27 1.522 10.180 8.182 193 H CYS 28 H CYS 28 -2.684 11.561 11.564 194 HA CYS 28 HA CYS 28 -1.999 14.294 12.297 195 HB2 CYS 28 1HB CYS 28 -4.394 12.543 12.625 196 HB3 CYS 28 2HB CYS 28 -4.171 13.868 13.760 197 HG CYS 28 HG CYS 28 -3.694 15.101 10.794 198 H ALA 29 H ALA 29 -2.238 14.866 14.675 199 HA ALA 29 HA ALA 29 -0.258 13.526 16.152 200 HB1 ALA 29 1HB ALA 29 -2.310 15.211 17.514 201 HB2 ALA 29 2HB ALA 29 -0.567 15.127 17.776 202 HB3 ALA 29 3HB ALA 29 -1.206 15.950 16.353 203 H TYR 30 H TYR 30 -3.789 13.377 16.281 204 HA TYR 30 HA TYR 30 -3.597 11.230 18.278 205 HB2 TYR 30 1HB TYR 30 -6.051 11.620 18.581 206 HB3 TYR 30 2HB TYR 30 -5.052 13.011 18.984 207 HD1 TYR 30 2HD TYR 30 -4.794 14.830 17.181 208 HD2 TYR 30 1HD TYR 30 -7.816 11.837 17.069 209 HE1 TYR 30 2HE TYR 30 -6.113 16.226 15.644 210 HE2 TYR 30 1HE TYR 30 -9.142 13.224 15.531 211 HH TYR 30 HH TYR 30 -9.318 15.201 14.521 212 H ASP 31 H ASP 31 -2.864 10.589 15.678 213 HA ASP 31 HA ASP 31 -5.015 8.724 14.958 214 HB2 ASP 31 1HB ASP 31 -4.867 10.766 13.409 215 HB3 ASP 31 2HB ASP 31 -3.339 10.085 12.856 216 H LYS 32 H LYS 32 -3.760 7.186 16.148 217 HA LYS 32 HA LYS 32 -1.096 6.538 15.234 218 HB2 LYS 32 1HB LYS 32 -1.009 4.994 17.007 219 HB3 LYS 32 2HB LYS 32 -1.951 6.339 17.636 220 HG2 LYS 32 1HG LYS 32 -3.243 3.912 16.435 221 HG3 LYS 32 2HG LYS 32 -2.788 3.997 18.139 222 HD2 LYS 32 1HD LYS 32 -4.907 4.784 18.336 223 HD3 LYS 32 2HD LYS 32 -4.114 6.311 17.937 224 HE2 LYS 32 1HE LYS 32 -4.600 5.564 15.474 225 HE3 LYS 32 2HE LYS 32 -5.826 4.552 16.237 226 HZ1 LYS 32 1HZ LYS 32 -6.995 6.378 16.979 227 HZ2 LYS 32 2HZ LYS 32 -6.445 6.918 15.474 228 HZ3 LYS 32 3HZ LYS 32 -5.665 7.420 16.888 229 H THR 33 H THR 33 -3.589 6.266 13.506 230 HA THR 33 HA THR 33 -3.115 3.472 12.692 231 HB THR 33 HB THR 33 -5.417 3.324 11.906 232 HG1 THR 33 1HG THR 33 -6.836 5.132 12.661 233 HG21 THR 33 1HG2 THR 33 -4.688 3.731 14.692 234 HG22 THR 33 2HG2 THR 33 -5.709 2.491 13.962 235 HG23 THR 33 3HG2 THR 33 -6.393 4.059 14.389 236 H ALA 34 H ALA 34 -3.148 6.766 11.822 237 HA ALA 34 HA ALA 34 -3.444 6.362 8.984 238 HB1 ALA 34 1HB ALA 34 -4.155 8.465 9.446 239 HB2 ALA 34 2HB ALA 34 -3.018 8.677 10.778 240 HB3 ALA 34 3HB ALA 34 -2.464 8.839 9.112 241 H LEU 35 H LEU 35 -1.898 5.728 7.640 242 HA LEU 35 HA LEU 35 0.830 5.489 8.566 243 HB2 LEU 35 1HB LEU 35 -0.605 3.896 7.027 244 HB3 LEU 35 2HB LEU 35 0.039 4.927 5.752 245 HG LEU 35 HG LEU 35 1.787 3.473 7.726 246 HD11 LEU 35 1HD1 LEU 35 1.562 2.475 4.963 247 HD12 LEU 35 2HD1 LEU 35 0.186 2.154 6.017 248 HD13 LEU 35 3HD1 LEU 35 1.795 1.598 6.476 249 HD21 LEU 35 1HD2 LEU 35 3.440 3.803 5.846 250 HD22 LEU 35 2HD2 LEU 35 2.951 5.262 6.708 251 HD23 LEU 35 3HD2 LEU 35 2.265 4.902 5.123 252 H ALA 36 H ALA 36 2.544 6.698 7.966 253 HA ALA 36 HA ALA 36 1.985 9.109 6.408 254 HB1 ALA 36 1HB ALA 36 3.817 10.107 7.447 255 HB2 ALA 36 2HB ALA 36 3.111 9.105 8.716 256 HB3 ALA 36 3HB ALA 36 4.550 8.556 7.857 257 H LEU 37 H LEU 37 2.838 9.505 4.450 258 HA LEU 37 HA LEU 37 5.027 7.822 3.475 259 HB2 LEU 37 1HB LEU 37 2.526 8.346 1.880 260 HB3 LEU 37 2HB LEU 37 3.910 7.369 1.393 261 HG LEU 37 HG LEU 37 2.239 6.632 3.775 262 HD11 LEU 37 1HD1 LEU 37 0.714 6.867 1.882 263 HD12 LEU 37 2HD1 LEU 37 0.927 5.175 2.329 264 HD13 LEU 37 3HD1 LEU 37 1.752 5.822 0.912 265 HD21 LEU 37 1HD2 LEU 37 3.063 4.335 2.721 266 HD22 LEU 37 2HD2 LEU 37 4.054 5.266 3.845 267 HD23 LEU 37 3HD2 LEU 37 4.346 5.378 2.108 268 H GLU 38 H GLU 38 5.933 8.670 1.395 269 HA GLU 38 HA GLU 38 5.580 11.578 1.146 270 HB2 GLU 38 1HB GLU 38 8.148 10.040 1.456 271 HB3 GLU 38 2HB GLU 38 8.113 11.624 0.693 272 HG2 GLU 38 1HG GLU 38 7.578 12.708 2.648 273 HG3 GLU 38 2HG GLU 38 6.875 11.266 3.379 274 H VAL 39 H VAL 39 5.594 12.374 -0.898 275 HA VAL 39 HA VAL 39 4.882 10.925 -3.067 276 HB VAL 39 HB VAL 39 6.596 13.410 -3.057 277 HG11 VAL 39 1HG1 VAL 39 5.167 12.034 -5.322 278 HG12 VAL 39 2HG1 VAL 39 5.714 13.711 -5.389 279 HG13 VAL 39 3HG1 VAL 39 6.886 12.406 -5.195 280 HG21 VAL 39 1HG2 VAL 39 3.646 13.153 -3.592 281 HG22 VAL 39 2HG2 VAL 39 4.308 13.476 -1.989 282 HG23 VAL 39 3HG2 VAL 39 4.575 14.624 -3.301 283 H GLY 40 H GLY 40 5.811 9.134 -3.832 284 HA2 GLY 40 1HA GLY 40 7.499 8.285 -5.347 285 HA3 GLY 40 2HA GLY 40 8.683 9.263 -4.491 286 H ASP 41 H ASP 41 6.244 7.372 -2.845 287 HA ASP 41 HA ASP 41 8.362 5.530 -1.945 288 HB2 ASP 41 1HB ASP 41 7.247 7.284 -0.303 289 HB3 ASP 41 2HB ASP 41 5.974 6.068 -0.235 290 H ILE 42 H ILE 42 7.931 3.374 -1.926 291 HA ILE 42 HA ILE 42 5.542 2.524 -3.351 292 HB ILE 42 HB ILE 42 7.895 0.879 -2.410 293 HG12 ILE 42 1HG1 ILE 42 8.454 2.663 -4.077 294 HG13 ILE 42 2HG1 ILE 42 8.737 1.027 -4.662 295 HG21 ILE 42 1HG2 ILE 42 6.202 -0.007 -4.656 296 HG22 ILE 42 2HG2 ILE 42 6.965 -0.940 -3.370 297 HG23 ILE 42 3HG2 ILE 42 5.464 -0.069 -3.056 298 HD11 ILE 42 1HD1 ILE 42 6.076 1.886 -5.319 299 HD12 ILE 42 2HD1 ILE 42 7.274 3.041 -5.903 300 HD13 ILE 42 3HD1 ILE 42 7.380 1.346 -6.377 301 H VAL 43 H VAL 43 3.764 2.112 -2.225 302 HA VAL 43 HA VAL 43 3.957 1.234 0.552 303 HB VAL 43 HB VAL 43 1.436 1.842 -0.986 304 HG11 VAL 43 1HG1 VAL 43 0.749 0.801 0.939 305 HG12 VAL 43 2HG1 VAL 43 2.131 1.375 1.874 306 HG13 VAL 43 3HG1 VAL 43 0.810 2.477 1.484 307 HG21 VAL 43 1HG2 VAL 43 3.112 3.735 -0.981 308 HG22 VAL 43 2HG2 VAL 43 1.539 4.097 -0.273 309 HG23 VAL 43 3HG2 VAL 43 2.924 3.780 0.772 310 H LYS 44 H LYS 44 4.365 -0.904 0.662 311 HA LYS 44 HA LYS 44 3.107 -2.774 -1.150 312 HB2 LYS 44 1HB LYS 44 5.352 -3.285 -0.545 313 HB3 LYS 44 2HB LYS 44 5.008 -3.092 1.169 314 HG2 LYS 44 1HG LYS 44 3.461 -5.072 0.959 315 HG3 LYS 44 2HG LYS 44 4.142 -5.320 -0.651 316 HD2 LYS 44 1HD LYS 44 6.423 -5.284 0.527 317 HD3 LYS 44 2HD LYS 44 5.506 -5.502 2.019 318 HE2 LYS 44 1HE LYS 44 4.393 -7.470 0.752 319 HE3 LYS 44 2HE LYS 44 5.788 -7.352 -0.320 320 HZ1 LYS 44 1HZ LYS 44 6.275 -7.452 2.564 321 HZ2 LYS 44 2HZ LYS 44 7.206 -8.063 1.291 322 HZ3 LYS 44 3HZ LYS 44 5.814 -8.885 1.792 323 H VAL 45 H VAL 45 1.021 -3.219 -0.836 324 HA VAL 45 HA VAL 45 0.055 -3.573 1.923 325 HB VAL 45 HB VAL 45 -1.227 -1.880 0.867 326 HG11 VAL 45 1HG1 VAL 45 -1.191 -3.720 -1.487 327 HG12 VAL 45 2HG1 VAL 45 -2.484 -2.532 -1.314 328 HG13 VAL 45 3HG1 VAL 45 -0.803 -2.002 -1.401 329 HG21 VAL 45 1HG2 VAL 45 -3.298 -3.750 0.273 330 HG22 VAL 45 2HG2 VAL 45 -2.374 -4.339 1.656 331 HG23 VAL 45 3HG2 VAL 45 -3.101 -2.733 1.700 332 H THR 46 H THR 46 -0.562 -5.527 2.587 333 HA THR 46 HA THR 46 -0.801 -7.660 0.570 334 HB THR 46 HB THR 46 -0.021 -9.233 2.142 335 HG1 THR 46 1HG THR 46 -0.707 -8.968 4.124 336 HG21 THR 46 1HG2 THR 46 1.663 -7.511 1.260 337 HG22 THR 46 2HG2 THR 46 2.148 -8.486 2.648 338 HG23 THR 46 3HG2 THR 46 1.614 -6.822 2.882 339 H ARG 47 H ARG 47 -2.438 -5.936 3.047 340 HA ARG 47 HA ARG 47 -4.689 -7.832 2.886 341 HB2 ARG 47 1HB ARG 47 -3.583 -7.636 5.143 342 HB3 ARG 47 2HB ARG 47 -4.112 -5.959 5.182 343 HG2 ARG 47 1HG ARG 47 -6.395 -6.584 5.231 344 HG3 ARG 47 2HG ARG 47 -6.010 -8.264 4.851 345 HD2 ARG 47 1HD ARG 47 -4.863 -7.010 7.305 346 HD3 ARG 47 2HD ARG 47 -6.544 -7.542 7.311 347 HE ARG 47 HE ARG 47 -4.263 -9.191 7.522 348 HH11 ARG 47 2HH1 ARG 47 -7.403 -9.068 6.024 349 HH12 ARG 47 1HH1 ARG 47 -7.594 -10.790 5.980 350 HH21 ARG 47 2HH2 ARG 47 -4.502 -11.459 7.469 351 HH22 ARG 47 1HH2 ARG 47 -5.943 -12.149 6.803 352 H MET 48 H MET 48 -6.083 -6.991 1.463 353 HA MET 48 HA MET 48 -6.623 -4.103 1.560 354 HB2 MET 48 1HB MET 48 -7.115 -6.148 -0.607 355 HB3 MET 48 2HB MET 48 -7.692 -4.488 -0.684 356 HG2 MET 48 1HG MET 48 -5.236 -3.832 -0.343 357 HG3 MET 48 2HG MET 48 -4.880 -5.504 -0.768 358 HE1 MET 48 1HE MET 48 -4.684 -2.378 -3.633 359 HE2 MET 48 2HE MET 48 -4.553 -2.341 -1.875 360 HE3 MET 48 3HE MET 48 -3.505 -3.404 -2.816 361 H ASN 49 H ASN 49 -8.382 -3.509 2.628 362 HA ASN 49 HA ASN 49 -10.447 -5.420 3.275 363 HB2 ASN 49 1HB ASN 49 -10.568 -2.474 3.878 364 HB3 ASN 49 2HB ASN 49 -11.277 -3.811 4.779 365 HD21 ASN 49 1HD2 ASN 49 -9.412 -1.601 5.523 366 HD22 ASN 49 2HD2 ASN 49 -8.077 -2.391 6.283 367 H ILE 50 H ILE 50 -12.511 -5.481 2.508 368 HA ILE 50 HA ILE 50 -13.067 -4.662 -0.078 369 HB ILE 50 HB ILE 50 -15.059 -5.205 2.128 370 HG12 ILE 50 1HG1 ILE 50 -13.501 -7.068 1.755 371 HG13 ILE 50 2HG1 ILE 50 -15.123 -7.481 1.210 372 HG21 ILE 50 1HG2 ILE 50 -15.339 -4.873 -0.832 373 HG22 ILE 50 2HG2 ILE 50 -16.456 -5.899 0.065 374 HG23 ILE 50 3HG2 ILE 50 -16.316 -4.188 0.466 375 HD11 ILE 50 1HD1 ILE 50 -14.106 -6.550 -1.083 376 HD12 ILE 50 2HD1 ILE 50 -12.633 -7.151 -0.322 377 HD13 ILE 50 3HD1 ILE 50 -13.998 -8.237 -0.582 378 H ASN 51 H ASN 51 -14.045 -3.128 2.978 379 HA ASN 51 HA ASN 51 -15.666 -1.130 2.244 380 HB2 ASN 51 1HB ASN 51 -15.040 -1.165 4.508 381 HB3 ASN 51 2HB ASN 51 -13.323 -1.073 4.129 382 HD21 ASN 51 1HD2 ASN 51 -12.440 0.802 4.560 383 HD22 ASN 51 2HD2 ASN 51 -13.228 2.339 4.518 384 H GLY 52 H GLY 52 -12.113 -0.866 2.013 385 HA2 GLY 52 1HA GLY 52 -11.821 0.155 -0.468 386 HA3 GLY 52 2HA GLY 52 -12.326 1.563 0.455 387 H GLN 53 H GLN 53 -11.030 1.266 2.821 388 HA GLN 53 HA GLN 53 -8.380 2.045 2.135 389 HB2 GLN 53 1HB GLN 53 -8.051 2.405 4.487 390 HB3 GLN 53 2HB GLN 53 -9.668 2.956 4.069 391 HG2 GLN 53 1HG GLN 53 -10.329 0.522 4.807 392 HG3 GLN 53 2HG GLN 53 -8.818 0.630 5.708 393 HE21 GLN 53 1HE2 GLN 53 -10.851 0.304 7.259 394 HE22 GLN 53 2HE2 GLN 53 -11.371 1.767 8.018 395 H TRP 54 H TRP 54 -6.501 0.941 2.209 396 HA TRP 54 HA TRP 54 -6.669 -1.917 2.893 397 HB2 TRP 54 1HB TRP 54 -4.491 -0.698 1.214 398 HB3 TRP 54 2HB TRP 54 -5.035 -2.373 1.269 399 HD1 TRP 54 HD TRP 54 -8.154 -1.854 0.811 400 HE1 TRP 54 1HE TRP 54 -8.974 -1.118 -1.515 401 HE3 TRP 54 3HE TRP 54 -3.770 0.014 -1.041 402 HZ2 TRP 54 2HZ TRP 54 -7.904 0.093 -3.830 403 HZ3 TRP 54 3HZ TRP 54 -3.753 0.942 -3.320 404 HH2 TRP 54 HH TRP 54 -5.778 0.979 -4.684 405 H GLU 55 H GLU 55 -4.446 -2.836 3.546 406 HA GLU 55 HA GLU 55 -3.195 -0.986 5.470 407 HB2 GLU 55 1HB GLU 55 -4.632 -2.874 6.416 408 HB3 GLU 55 2HB GLU 55 -3.387 -3.971 5.837 409 HG2 GLU 55 1HG GLU 55 -1.738 -2.688 7.208 410 HG3 GLU 55 2HG GLU 55 -3.097 -1.802 7.897 411 H GLY 56 H GLY 56 -1.148 -0.547 5.014 412 HA2 GLY 56 1HA GLY 56 0.506 -2.667 3.804 413 HA3 GLY 56 2HA GLY 56 0.514 -1.041 3.138 414 H GLU 57 H GLU 57 2.830 -2.319 4.026 415 HA GLU 57 HA GLU 57 3.455 -0.831 6.491 416 HB2 GLU 57 1HB GLU 57 3.667 -3.276 6.722 417 HB3 GLU 57 2HB GLU 57 4.811 -3.298 5.387 418 HG2 GLU 57 1HG GLU 57 5.362 -1.596 7.771 419 HG3 GLU 57 2HG GLU 57 5.656 -3.332 7.845 420 H VAL 58 H VAL 58 4.783 0.838 6.285 421 HA VAL 58 HA VAL 58 6.828 0.807 4.187 422 HB VAL 58 HB VAL 58 4.882 3.072 4.637 423 HG11 VAL 58 1HG1 VAL 58 6.953 4.125 4.298 424 HG12 VAL 58 2HG1 VAL 58 7.452 2.942 3.086 425 HG13 VAL 58 3HG1 VAL 58 6.186 4.112 2.711 426 HG21 VAL 58 1HG2 VAL 58 3.752 2.281 2.895 427 HG22 VAL 58 2HG2 VAL 58 5.216 2.221 1.914 428 HG23 VAL 58 3HG2 VAL 58 4.779 0.849 2.932 429 H ASN 59 H ASN 59 8.713 1.842 4.712 430 HA ASN 59 HA ASN 59 10.353 2.443 6.200 431 HB2 ASN 59 1HB ASN 59 8.346 4.606 6.866 432 HB3 ASN 59 2HB ASN 59 10.097 4.702 7.026 433 HD21 ASN 59 1HD2 ASN 59 8.162 6.313 5.478 434 HD22 ASN 59 2HD2 ASN 59 8.738 6.275 3.850 435 H GLY 60 H GLY 60 9.034 0.375 7.315 436 HA2 GLY 60 1HA GLY 60 8.607 -0.665 9.316 437 HA3 GLY 60 2HA GLY 60 9.596 0.597 10.035 438 H ARG 61 H ARG 61 6.488 0.898 8.360 439 HA ARG 61 HA ARG 61 5.134 1.459 10.874 440 HB2 ARG 61 1HB ARG 61 6.199 3.601 9.838 441 HB3 ARG 61 2HB ARG 61 4.881 3.488 8.679 442 HG2 ARG 61 1HG ARG 61 3.414 3.310 10.849 443 HG3 ARG 61 2HG ARG 61 4.806 4.108 11.585 444 HD2 ARG 61 1HD ARG 61 3.601 5.167 9.057 445 HD3 ARG 61 2HD ARG 61 2.878 5.547 10.619 446 HE ARG 61 HE ARG 61 5.271 6.648 9.527 447 HH11 ARG 61 2HH1 ARG 61 3.699 5.756 12.503 448 HH12 ARG 61 1HH1 ARG 61 4.583 6.895 13.463 449 HH21 ARG 61 2HH2 ARG 61 6.441 8.152 10.781 450 HH22 ARG 61 1HH2 ARG 61 6.142 8.258 12.482 451 H LYS 62 H LYS 62 3.080 0.773 10.850 452 HA LYS 62 HA LYS 62 1.907 0.064 8.240 453 HB2 LYS 62 1HB LYS 62 1.710 -1.304 10.919 454 HB3 LYS 62 2HB LYS 62 0.583 -1.637 9.611 455 HG2 LYS 62 1HG LYS 62 2.562 -2.232 8.188 456 HG3 LYS 62 2HG LYS 62 3.549 -2.121 9.647 457 HD2 LYS 62 1HD LYS 62 2.313 -3.887 10.694 458 HD3 LYS 62 2HD LYS 62 1.133 -3.906 9.381 459 HE2 LYS 62 1HE LYS 62 4.004 -4.352 8.728 460 HE3 LYS 62 2HE LYS 62 3.101 -5.660 9.490 461 HZ1 LYS 62 1HZ LYS 62 3.180 -5.266 6.865 462 HZ2 LYS 62 2HZ LYS 62 1.799 -4.364 7.241 463 HZ3 LYS 62 3HZ LYS 62 1.876 -6.004 7.651 464 H GLY 63 H GLY 63 0.187 1.222 7.690 465 HA2 GLY 63 1HA GLY 63 -1.800 1.930 9.693 466 HA3 GLY 63 2HA GLY 63 -0.985 3.283 8.923 467 H LEU 64 H LEU 64 -3.647 3.176 8.664 468 HA LEU 64 HA LEU 64 -4.332 1.829 6.182 469 HB2 LEU 64 1HB LEU 64 -5.977 3.624 7.958 470 HB3 LEU 64 2HB LEU 64 -6.582 2.710 6.578 471 HG LEU 64 HG LEU 64 -5.442 1.500 9.097 472 HD11 LEU 64 1HD1 LEU 64 -7.549 1.248 9.922 473 HD12 LEU 64 2HD1 LEU 64 -8.298 1.252 8.326 474 HD13 LEU 64 3HD1 LEU 64 -7.763 2.767 9.052 475 HD21 LEU 64 1HD2 LEU 64 -6.529 -0.565 8.140 476 HD22 LEU 64 2HD2 LEU 64 -5.084 -0.001 7.301 477 HD23 LEU 64 3HD2 LEU 64 -6.680 0.318 6.622 478 H PHE 65 H PHE 65 -4.459 2.763 4.231 479 HA PHE 65 HA PHE 65 -4.448 5.686 4.043 480 HB2 PHE 65 1HB PHE 65 -2.687 5.652 2.350 481 HB3 PHE 65 2HB PHE 65 -2.103 4.953 3.856 482 HD1 PHE 65 2HD PHE 65 -3.090 4.254 0.399 483 HD2 PHE 65 1HD PHE 65 -1.534 2.627 4.011 484 HE1 PHE 65 2HE PHE 65 -2.404 2.227 -0.814 485 HE2 PHE 65 1HE PHE 65 -0.843 0.597 2.804 486 HZ PHE 65 HZ PHE 65 -1.279 0.395 0.388 487 HA PRO 66 HA PRO 66 -7.514 4.961 0.969 488 HB2 PRO 66 1HB PRO 66 -7.375 7.335 -0.341 489 HB3 PRO 66 2HB PRO 66 -8.107 7.162 1.258 490 HG2 PRO 66 1HG PRO 66 -5.373 8.132 0.522 491 HG3 PRO 66 2HG PRO 66 -6.507 8.785 1.718 492 HD2 PRO 66 1HD PRO 66 -4.408 7.218 2.404 493 HD3 PRO 66 2HD PRO 66 -5.939 7.209 3.301 494 H PHE 67 H PHE 67 -7.759 4.499 -1.234 495 HA PHE 67 HA PHE 67 -5.342 3.748 -2.585 496 HB2 PHE 67 1HB PHE 67 -6.837 2.852 -4.312 497 HB3 PHE 67 2HB PHE 67 -7.350 2.342 -2.707 498 HD1 PHE 67 2HD PHE 67 -8.138 4.464 -5.584 499 HD2 PHE 67 1HD PHE 67 -9.418 3.109 -1.758 500 HE1 PHE 67 2HE PHE 67 -10.390 5.351 -6.027 501 HE2 PHE 67 1HE PHE 67 -11.673 3.993 -2.195 502 HZ PHE 67 HZ PHE 67 -12.160 5.118 -4.331 503 H THR 68 H THR 68 -7.525 6.427 -2.688 504 HA THR 68 HA THR 68 -6.927 7.359 -5.297 505 HB THR 68 HB THR 68 -7.802 9.560 -4.459 506 HG1 THR 68 1HG THR 68 -8.360 9.772 -2.368 507 HG21 THR 68 1HG2 THR 68 -9.784 7.561 -3.540 508 HG22 THR 68 2HG2 THR 68 -9.159 7.360 -5.177 509 HG23 THR 68 3HG2 THR 68 -9.951 8.866 -4.713 510 H HIS 69 H HIS 69 -5.204 7.450 -2.332 511 HA HIS 69 HA HIS 69 -3.611 9.759 -2.912 512 HB2 HIS 69 1HB HIS 69 -3.978 9.024 -0.603 513 HB3 HIS 69 2HB HIS 69 -3.152 7.507 -0.944 514 HD1 HIS 69 1HD HIS 69 -2.465 11.203 -0.609 515 HD2 HIS 69 2HD HIS 69 -0.413 7.592 -0.730 516 HE1 HIS 69 1HE HIS 69 -0.089 11.759 0.002 517 HE2 HIS 69 2HE HIS 69 1.151 9.573 -0.161 518 H VAL 70 H VAL 70 -3.121 6.254 -3.140 519 HA VAL 70 HA VAL 70 -0.643 6.748 -4.647 520 HB VAL 70 HB VAL 70 -0.035 4.435 -4.187 521 HG11 VAL 70 1HG1 VAL 70 0.825 4.986 -2.200 522 HG12 VAL 70 2HG1 VAL 70 -0.067 6.499 -2.372 523 HG13 VAL 70 3HG1 VAL 70 -0.767 5.160 -1.461 524 HG21 VAL 70 1HG2 VAL 70 -2.022 3.227 -4.130 525 HG22 VAL 70 2HG2 VAL 70 -1.506 3.228 -2.443 526 HG23 VAL 70 3HG2 VAL 70 -2.775 4.330 -2.977 527 H LYS 71 H LYS 71 -0.545 6.292 -6.752 528 HA LYS 71 HA LYS 71 -2.909 5.204 -8.052 529 HB2 LYS 71 1HB LYS 71 -1.779 7.256 -8.909 530 HB3 LYS 71 2HB LYS 71 -0.370 6.276 -9.294 531 HG2 LYS 71 1HG LYS 71 -1.927 4.881 -10.738 532 HG3 LYS 71 2HG LYS 71 -3.099 6.185 -10.537 533 HD2 LYS 71 1HD LYS 71 -0.310 6.765 -11.467 534 HD3 LYS 71 2HD LYS 71 -1.540 6.204 -12.603 535 HE2 LYS 71 1HE LYS 71 -1.985 8.550 -10.777 536 HE3 LYS 71 2HE LYS 71 -1.236 8.723 -12.363 537 HZ1 LYS 71 1HZ LYS 71 -3.717 9.082 -12.236 538 HZ2 LYS 71 2HZ LYS 71 -3.865 7.414 -11.998 539 HZ3 LYS 71 3HZ LYS 71 -3.181 8.007 -13.428 540 H ILE 72 H ILE 72 -3.088 3.165 -8.704 541 HA ILE 72 HA ILE 72 -1.037 1.262 -8.239 542 HB ILE 72 HB ILE 72 -3.563 0.950 -9.866 543 HG12 ILE 72 1HG1 ILE 72 -4.351 1.481 -7.747 544 HG13 ILE 72 2HG1 ILE 72 -4.225 -0.272 -7.649 545 HG21 ILE 72 1HG2 ILE 72 -1.671 -0.741 -10.164 546 HG22 ILE 72 2HG2 ILE 72 -2.022 -1.238 -8.510 547 HG23 ILE 72 3HG2 ILE 72 -3.266 -1.370 -9.752 548 HD11 ILE 72 1HD1 ILE 72 -3.329 0.541 -5.647 549 HD12 ILE 72 2HD1 ILE 72 -1.933 0.105 -6.633 550 HD13 ILE 72 3HD1 ILE 72 -2.405 1.796 -6.471 551 H PHE 73 H PHE 73 0.709 0.962 -9.439 552 HA PHE 73 HA PHE 73 0.481 1.269 -12.360 553 HB2 PHE 73 1HB PHE 73 2.544 2.360 -12.499 554 HB3 PHE 73 2HB PHE 73 1.812 3.075 -11.066 555 HD1 PHE 73 1HD PHE 73 2.562 2.351 -8.813 556 HD2 PHE 73 2HD PHE 73 4.548 1.118 -12.370 557 HE1 PHE 73 1HE PHE 73 4.534 1.714 -7.487 558 HE2 PHE 73 2HE PHE 73 6.523 0.479 -11.049 559 HZ PHE 73 HZ PHE 73 6.517 0.775 -8.604 560 H ASP 74 H ASP 74 2.250 0.092 -13.544 561 HA ASP 74 HA ASP 74 2.488 -2.588 -12.412 562 HB2 ASP 74 1HB ASP 74 1.605 -2.177 -14.748 563 HB3 ASP 74 2HB ASP 74 3.239 -1.695 -15.197 564 HA PRO 75 HA PRO 75 6.727 -2.022 -11.330 565 HB2 PRO 75 1HB PRO 75 7.413 -4.639 -11.103 566 HB3 PRO 75 2HB PRO 75 6.432 -3.796 -9.899 567 HG2 PRO 75 1HG PRO 75 5.564 -5.609 -12.117 568 HG3 PRO 75 2HG PRO 75 4.997 -5.545 -10.438 569 HD2 PRO 75 1HD PRO 75 3.618 -4.430 -12.484 570 HD3 PRO 75 2HD PRO 75 3.606 -3.753 -10.843 571 H GLN 76 H GLN 76 5.873 -4.326 -13.887 572 HA GLN 76 HA GLN 76 8.531 -4.101 -15.056 573 HB2 GLN 76 1HB GLN 76 6.143 -5.708 -15.981 574 HB3 GLN 76 2HB GLN 76 7.780 -5.827 -16.614 575 HG2 GLN 76 1HG GLN 76 8.561 -6.606 -14.430 576 HG3 GLN 76 2HG GLN 76 6.913 -6.505 -13.812 577 HE21 GLN 76 1HE2 GLN 76 6.227 -8.505 -13.528 578 HE22 GLN 76 2HE2 GLN 76 6.346 -9.790 -14.677 579 H ASN 77 H ASN 77 7.509 -1.668 -15.148 580 HA ASN 77 HA ASN 77 6.368 -1.332 -17.838 581 HB2 ASN 77 1HB ASN 77 5.639 0.882 -17.105 582 HB3 ASN 77 2HB ASN 77 5.045 -0.354 -16.000 583 HD21 ASN 77 1HD2 ASN 77 5.522 2.521 -15.616 584 HD22 ASN 77 2HD2 ASN 77 6.590 2.637 -14.262 585 HA PRO 78 HA PRO 78 10.742 -0.039 -18.386 586 HB2 PRO 78 1HB PRO 78 10.881 -0.873 -20.966 587 HB3 PRO 78 2HB PRO 78 11.151 -1.951 -19.592 588 HG2 PRO 78 1HG PRO 78 8.691 -1.585 -21.257 589 HG3 PRO 78 2HG PRO 78 9.428 -3.085 -20.665 590 HD2 PRO 78 1HD PRO 78 7.280 -1.946 -19.471 591 HD3 PRO 78 2HD PRO 78 8.505 -2.856 -18.565 592 H ASP 79 H ASP 79 7.762 0.955 -19.513 593 HA ASP 79 HA ASP 79 8.803 2.887 -21.432 594 HB2 ASP 79 1HB ASP 79 6.514 3.381 -21.957 595 HB3 ASP 79 2HB ASP 79 6.671 1.630 -21.855 596 H GLU 80 H GLU 80 8.999 5.034 -21.072 597 HA GLU 80 HA GLU 80 7.833 6.240 -18.701 598 HB2 GLU 80 1HB GLU 80 10.216 7.259 -18.261 599 HB3 GLU 80 2HB GLU 80 9.773 5.695 -17.591 600 HG2 GLU 80 1HG GLU 80 10.981 4.540 -19.290 601 HG3 GLU 80 2HG GLU 80 11.265 6.036 -20.178 602 H ASN 81 H ASN 81 7.015 8.131 -19.285 603 HA ASN 81 HA ASN 81 7.789 9.350 -21.786 604 HB2 ASN 81 1HB ASN 81 5.945 10.903 -21.362 605 HB3 ASN 81 2HB ASN 81 5.419 9.238 -21.130 606 HD21 ASN 81 1HD2 ASN 81 3.698 9.948 -19.845 607 HD22 ASN 81 2HD2 ASN 81 3.940 10.467 -18.215 608 H GLU 82 H GLU 82 8.265 11.674 -21.939 609 HA GLU 82 HA GLU 82 10.271 12.407 -19.979 610 HB2 GLU 82 1HB GLU 82 10.844 12.677 -22.311 611 HB3 GLU 82 2HB GLU 82 9.427 13.681 -22.584 612 HG2 GLU 82 1HG GLU 82 10.332 15.486 -21.414 613 HG3 GLU 82 2HG GLU 82 11.551 14.482 -20.632 614 H SER 83 H SER 83 9.690 13.463 -18.208 615 HA SER 83 HA SER 83 7.392 15.287 -18.319 616 HB2 SER 83 1HB SER 83 8.789 14.083 -15.917 617 HB3 SER 83 2HB SER 83 7.353 15.105 -15.865 618 HG SER 83 HG SER 83 6.275 13.487 -17.093 619 H GLY 84 H GLY 84 7.524 17.336 -17.192 620 HA2 GLY 84 1HA GLY 84 10.265 18.434 -17.261 621 HA3 GLY 84 2HA GLY 84 8.824 19.354 -17.666 622 HA PRO 85 HA PRO 85 8.633 18.769 -12.877 623 HB2 PRO 85 1HB PRO 85 10.747 17.544 -11.694 624 HB3 PRO 85 2HB PRO 85 9.331 16.663 -12.280 625 HG2 PRO 85 1HG PRO 85 12.001 17.036 -13.580 626 HG3 PRO 85 2HG PRO 85 11.006 15.573 -13.467 627 HD2 PRO 85 1HD PRO 85 11.096 17.104 -15.698 628 HD3 PRO 85 2HD PRO 85 9.640 16.215 -15.209 629 H SER 86 H SER 86 9.707 19.886 -11.059 630 HA SER 86 HA SER 86 11.820 21.705 -12.017 631 HB2 SER 86 1HB SER 86 9.357 22.208 -10.386 632 HB3 SER 86 2HB SER 86 10.773 23.233 -10.149 633 HG SER 86 HG SER 86 9.648 24.218 -11.734 634 H SER 87 H SER 87 13.390 20.191 -11.207 635 HA SER 87 HA SER 87 14.218 20.796 -8.550 636 HB2 SER 87 1HB SER 87 12.920 18.151 -9.101 637 HB3 SER 87 2HB SER 87 14.247 18.241 -7.943 638 HG SER 87 HG SER 87 11.750 19.572 -7.855 639 H GLY 88 H GLY 88 16.354 20.166 -8.135 640 HA2 GLY 88 1HA GLY 88 18.029 18.394 -9.142 641 HA3 GLY 88 2HA GLY 88 17.834 19.432 -10.547 Start of MODEL 8 1 H1 GLY 1 H GLY 1 22.352 -2.238 -21.515 2 HA2 GLY 1 1HA GLY 1 22.695 -3.693 -18.989 3 HA3 GLY 1 2HA GLY 1 21.399 -2.511 -19.105 4 H SER 2 H SER 2 19.647 -3.820 -18.987 5 HA SER 2 HA SER 2 19.310 -5.740 -21.190 6 HB2 SER 2 1HB SER 2 19.787 -6.942 -19.063 7 HB3 SER 2 2HB SER 2 18.367 -6.182 -18.347 8 HG SER 2 HG SER 2 17.315 -7.172 -20.363 9 H SER 3 H SER 3 17.535 -5.405 -22.353 10 HA SER 3 HA SER 3 15.062 -4.537 -21.219 11 HB2 SER 3 1HB SER 3 16.287 -2.378 -21.306 12 HB3 SER 3 2HB SER 3 16.491 -2.588 -23.045 13 HG SER 3 HG SER 3 14.378 -1.624 -21.697 14 H GLY 4 H GLY 4 13.637 -5.703 -22.312 15 HA2 GLY 4 1HA GLY 4 12.388 -6.225 -24.247 16 HA3 GLY 4 2HA GLY 4 13.758 -5.736 -25.234 17 H SER 5 H SER 5 13.062 -8.170 -22.719 18 HA SER 5 HA SER 5 14.654 -10.096 -24.261 19 HB2 SER 5 1HB SER 5 15.059 -9.572 -21.742 20 HB3 SER 5 2HB SER 5 13.645 -10.591 -21.473 21 HG SER 5 HG SER 5 16.018 -11.463 -21.672 22 H SER 6 H SER 6 11.613 -9.918 -22.414 23 HA SER 6 HA SER 6 10.257 -11.494 -24.416 24 HB2 SER 6 1HB SER 6 10.656 -12.571 -21.616 25 HB3 SER 6 2HB SER 6 9.494 -13.220 -22.773 26 HG SER 6 HG SER 6 12.112 -13.727 -22.567 27 H GLY 7 H GLY 7 8.138 -10.991 -24.517 28 HA2 GLY 7 1HA GLY 7 7.134 -8.795 -23.076 29 HA3 GLY 7 2HA GLY 7 6.179 -9.880 -24.076 30 HA PRO 8 HA PRO 8 5.632 -10.534 -19.330 31 HB2 PRO 8 1HB PRO 8 3.690 -8.726 -18.755 32 HB3 PRO 8 2HB PRO 8 5.413 -8.371 -18.586 33 HG2 PRO 8 1HG PRO 8 3.541 -7.656 -20.810 34 HG3 PRO 8 2HG PRO 8 4.787 -6.662 -20.033 35 HD2 PRO 8 1HD PRO 8 5.174 -7.881 -22.420 36 HD3 PRO 8 2HD PRO 8 6.491 -7.616 -21.258 37 H LEU 9 H LEU 9 3.127 -10.542 -18.323 38 HA LEU 9 HA LEU 9 1.477 -11.890 -20.354 39 HB2 LEU 9 1HB LEU 9 0.959 -13.653 -18.906 40 HB3 LEU 9 2HB LEU 9 2.703 -13.438 -18.765 41 HG LEU 9 HG LEU 9 0.920 -12.110 -16.776 42 HD11 LEU 9 1HD1 LEU 9 -0.003 -14.289 -16.732 43 HD12 LEU 9 2HD1 LEU 9 1.127 -14.196 -15.382 44 HD13 LEU 9 3HD1 LEU 9 1.586 -15.042 -16.860 45 HD21 LEU 9 1HD2 LEU 9 3.473 -11.869 -16.993 46 HD22 LEU 9 2HD2 LEU 9 3.537 -13.496 -16.317 47 HD23 LEU 9 3HD2 LEU 9 2.794 -12.188 -15.397 48 HA PRO 10 HA PRO 10 -1.774 -9.257 -18.994 49 HB2 PRO 10 1HB PRO 10 -3.908 -10.754 -19.752 50 HB3 PRO 10 2HB PRO 10 -2.885 -9.887 -20.904 51 HG2 PRO 10 1HG PRO 10 -2.839 -12.779 -20.135 52 HG3 PRO 10 2HG PRO 10 -2.699 -12.047 -21.743 53 HD2 PRO 10 1HD PRO 10 -0.550 -12.926 -20.350 54 HD3 PRO 10 2HD PRO 10 -0.469 -11.539 -21.456 55 H SER 11 H SER 11 -1.303 -9.507 -16.715 56 HA SER 11 HA SER 11 -3.191 -11.320 -15.360 57 HB2 SER 11 1HB SER 11 -0.335 -10.673 -14.760 58 HB3 SER 11 2HB SER 11 -1.423 -11.011 -13.414 59 HG SER 11 HG SER 11 -1.119 -12.715 -15.660 60 H THR 12 H THR 12 -4.518 -10.460 -13.859 61 HA THR 12 HA THR 12 -4.611 -7.573 -13.653 62 HB THR 12 HB THR 12 -6.697 -7.978 -12.338 63 HG1 THR 12 1HG THR 12 -6.556 -10.685 -13.109 64 HG21 THR 12 1HG2 THR 12 -7.203 -9.635 -14.692 65 HG22 THR 12 2HG2 THR 12 -6.289 -8.169 -15.047 66 HG23 THR 12 3HG2 THR 12 -7.861 -8.059 -14.255 67 H GLN 13 H GLN 13 -4.623 -10.252 -11.292 68 HA GLN 13 HA GLN 13 -3.148 -8.497 -9.445 69 HB2 GLN 13 1HB GLN 13 -5.426 -10.372 -8.799 70 HB3 GLN 13 2HB GLN 13 -4.385 -9.644 -7.582 71 HG2 GLN 13 1HG GLN 13 -5.110 -7.431 -8.243 72 HG3 GLN 13 2HG GLN 13 -6.096 -8.118 -9.532 73 HE21 GLN 13 1HE2 GLN 13 -8.003 -7.286 -8.742 74 HE22 GLN 13 2HE2 GLN 13 -8.754 -7.870 -7.300 75 H ASN 14 H ASN 14 -1.202 -9.302 -9.063 76 HA ASN 14 HA ASN 14 -0.908 -12.180 -8.622 77 HB2 ASN 14 1HB ASN 14 -0.309 -11.716 -10.992 78 HB3 ASN 14 2HB ASN 14 0.930 -10.597 -10.431 79 HD21 ASN 14 1HD2 ASN 14 2.580 -11.775 -11.371 80 HD22 ASN 14 2HD2 ASN 14 3.113 -13.291 -10.738 81 H GLY 15 H GLY 15 0.280 -12.614 -6.872 82 HA2 GLY 15 1HA GLY 15 1.611 -12.298 -5.029 83 HA3 GLY 15 2HA GLY 15 2.613 -11.307 -6.078 84 HA PRO 16 HA PRO 16 1.036 -8.549 -2.742 85 HB2 PRO 16 1HB PRO 16 3.374 -7.199 -2.454 86 HB3 PRO 16 2HB PRO 16 3.034 -8.719 -1.619 87 HG2 PRO 16 1HG PRO 16 4.625 -8.241 -4.109 88 HG3 PRO 16 2HG PRO 16 4.991 -9.298 -2.734 89 HD2 PRO 16 1HD PRO 16 3.966 -10.235 -5.059 90 HD3 PRO 16 2HD PRO 16 3.595 -10.971 -3.487 91 H VAL 17 H VAL 17 -0.093 -6.822 -3.353 92 HA VAL 17 HA VAL 17 0.414 -5.503 -5.851 93 HB VAL 17 HB VAL 17 -1.554 -4.780 -3.676 94 HG11 VAL 17 1HG1 VAL 17 -0.954 -3.663 -6.344 95 HG12 VAL 17 2HG1 VAL 17 -2.660 -3.863 -5.939 96 HG13 VAL 17 3HG1 VAL 17 -1.617 -2.883 -4.908 97 HG21 VAL 17 1HG2 VAL 17 -2.359 -6.817 -4.296 98 HG22 VAL 17 2HG2 VAL 17 -3.089 -5.841 -5.571 99 HG23 VAL 17 3HG2 VAL 17 -1.613 -6.751 -5.893 100 H PHE 18 H PHE 18 1.389 -3.596 -6.224 101 HA PHE 18 HA PHE 18 2.340 -2.075 -3.886 102 HB2 PHE 18 1HB PHE 18 3.718 -2.486 -6.547 103 HB3 PHE 18 2HB PHE 18 4.302 -1.432 -5.263 104 HD1 PHE 18 1HD PHE 18 5.113 -2.391 -3.147 105 HD2 PHE 18 2HD PHE 18 4.010 -4.843 -6.448 106 HE1 PHE 18 1HE PHE 18 6.317 -4.285 -2.139 107 HE2 PHE 18 2HE PHE 18 5.212 -6.741 -5.444 108 HZ PHE 18 HZ PHE 18 6.367 -6.464 -3.287 109 H ALA 19 H ALA 19 2.080 0.107 -3.883 110 HA ALA 19 HA ALA 19 0.911 1.345 -6.284 111 HB1 ALA 19 1HB ALA 19 -0.571 0.776 -4.082 112 HB2 ALA 19 2HB ALA 19 -0.043 2.421 -3.727 113 HB3 ALA 19 3HB ALA 19 -0.922 2.079 -5.217 114 H LYS 20 H LYS 20 2.135 2.966 -6.959 115 HA LYS 20 HA LYS 20 4.166 4.114 -5.276 116 HB2 LYS 20 1HB LYS 20 4.783 3.805 -7.541 117 HB3 LYS 20 2HB LYS 20 3.314 4.574 -8.128 118 HG2 LYS 20 1HG LYS 20 4.082 6.719 -7.563 119 HG3 LYS 20 2HG LYS 20 5.376 6.077 -6.549 120 HD2 LYS 20 1HD LYS 20 6.182 4.975 -8.776 121 HD3 LYS 20 2HD LYS 20 5.193 6.228 -9.529 122 HE2 LYS 20 1HE LYS 20 6.446 7.951 -8.375 123 HE3 LYS 20 2HE LYS 20 7.381 6.730 -7.514 124 HZ1 LYS 20 1HZ LYS 20 8.816 6.774 -9.181 125 HZ2 LYS 20 2HZ LYS 20 7.842 7.832 -10.071 126 HZ3 LYS 20 3HZ LYS 20 7.626 6.160 -10.215 127 H ALA 21 H ALA 21 3.999 5.877 -4.059 128 HA ALA 21 HA ALA 21 1.551 7.309 -3.847 129 HB1 ALA 21 1HB ALA 21 4.148 7.294 -2.483 130 HB2 ALA 21 2HB ALA 21 3.326 8.855 -2.493 131 HB3 ALA 21 3HB ALA 21 2.517 7.437 -1.826 132 H ILE 22 H ILE 22 0.865 8.786 -5.240 133 HA ILE 22 HA ILE 22 2.753 10.223 -6.919 134 HB ILE 22 HB ILE 22 0.659 11.184 -7.951 135 HG12 ILE 22 1HG1 ILE 22 -0.807 9.007 -6.487 136 HG13 ILE 22 2HG1 ILE 22 -0.674 10.619 -5.795 137 HG21 ILE 22 1HG2 ILE 22 0.121 9.140 -9.167 138 HG22 ILE 22 2HG2 ILE 22 1.860 9.289 -8.917 139 HG23 ILE 22 3HG2 ILE 22 0.918 8.180 -7.920 140 HD11 ILE 22 1HD1 ILE 22 -1.604 11.407 -8.073 141 HD12 ILE 22 2HD1 ILE 22 -2.121 9.729 -8.246 142 HD13 ILE 22 3HD1 ILE 22 -2.699 10.695 -6.888 143 H GLN 23 H GLN 23 0.970 10.725 -4.041 144 HA GLN 23 HA GLN 23 1.721 13.568 -4.084 145 HB2 GLN 23 1HB GLN 23 -0.892 12.351 -3.209 146 HB3 GLN 23 2HB GLN 23 -0.375 13.943 -2.669 147 HG2 GLN 23 1HG GLN 23 -0.391 14.787 -4.895 148 HG3 GLN 23 2HG GLN 23 -0.643 13.175 -5.563 149 HE21 GLN 23 1HE2 GLN 23 -2.671 12.255 -5.490 150 HE22 GLN 23 2HE2 GLN 23 -4.092 13.156 -5.095 151 H LYS 24 H LYS 24 1.664 14.510 -1.807 152 HA LYS 24 HA LYS 24 3.192 12.732 -0.093 153 HB2 LYS 24 1HB LYS 24 3.762 15.188 -0.637 154 HB3 LYS 24 2HB LYS 24 2.503 15.596 0.521 155 HG2 LYS 24 1HG LYS 24 3.693 14.400 2.268 156 HG3 LYS 24 2HG LYS 24 4.941 13.929 1.112 157 HD2 LYS 24 1HD LYS 24 5.675 16.165 0.852 158 HD3 LYS 24 2HD LYS 24 4.251 16.804 1.676 159 HE2 LYS 24 1HE LYS 24 6.002 16.944 3.244 160 HE3 LYS 24 2HE LYS 24 5.050 15.541 3.726 161 HZ1 LYS 24 1HZ LYS 24 7.780 15.669 3.021 162 HZ2 LYS 24 2HZ LYS 24 6.978 14.625 1.960 163 HZ3 LYS 24 3HZ LYS 24 6.902 14.357 3.628 164 H ARG 25 H ARG 25 2.363 11.660 1.571 165 HA ARG 25 HA ARG 25 -0.344 12.324 2.466 166 HB2 ARG 25 1HB ARG 25 0.157 9.996 1.752 167 HB3 ARG 25 2HB ARG 25 1.320 9.873 3.065 168 HG2 ARG 25 1HG ARG 25 -0.646 8.814 3.814 169 HG3 ARG 25 2HG ARG 25 -0.581 10.372 4.641 170 HD2 ARG 25 1HD ARG 25 -2.040 10.206 2.054 171 HD3 ARG 25 2HD ARG 25 -2.793 9.498 3.483 172 HE ARG 25 HE ARG 25 -2.563 12.263 2.878 173 HH11 ARG 25 2HH1 ARG 25 -2.534 9.993 5.517 174 HH12 ARG 25 1HH1 ARG 25 -3.090 11.145 6.686 175 HH21 ARG 25 2HH2 ARG 25 -3.296 13.789 4.407 176 HH22 ARG 25 1HH2 ARG 25 -3.524 13.303 6.053 177 H VAL 26 H VAL 26 -0.565 13.531 4.220 178 HA VAL 26 HA VAL 26 1.435 13.276 6.371 179 HB VAL 26 HB VAL 26 -0.003 15.811 5.576 180 HG11 VAL 26 1HG1 VAL 26 0.454 16.436 7.665 181 HG12 VAL 26 2HG1 VAL 26 1.455 15.011 7.952 182 HG13 VAL 26 3HG1 VAL 26 2.153 16.441 7.191 183 HG21 VAL 26 1HG2 VAL 26 2.325 16.569 4.980 184 HG22 VAL 26 2HG2 VAL 26 2.821 14.881 5.101 185 HG23 VAL 26 3HG2 VAL 26 1.621 15.363 3.903 186 HA PRO 27 HA PRO 27 -2.558 12.130 8.257 187 HB2 PRO 27 1HB PRO 27 -1.434 10.573 10.176 188 HB3 PRO 27 2HB PRO 27 -1.755 9.996 8.536 189 HG2 PRO 27 1HG PRO 27 0.809 10.976 9.731 190 HG3 PRO 27 2HG PRO 27 0.529 9.581 8.672 191 HD2 PRO 27 1HD PRO 27 1.505 11.935 7.755 192 HD3 PRO 27 2HD PRO 27 0.474 10.879 6.768 193 H CYS 28 H CYS 28 -3.553 13.229 9.838 194 HA CYS 28 HA CYS 28 -2.403 15.352 11.185 195 HB2 CYS 28 1HB CYS 28 -4.898 13.752 11.629 196 HB3 CYS 28 2HB CYS 28 -4.436 14.984 12.797 197 HG CYS 28 HG CYS 28 -4.180 16.443 9.943 198 H ALA 29 H ALA 29 -2.192 15.638 13.564 199 HA ALA 29 HA ALA 29 -0.292 13.862 14.621 200 HB1 ALA 29 1HB ALA 29 -0.740 15.141 16.782 201 HB2 ALA 29 2HB ALA 29 -0.190 16.074 15.389 202 HB3 ALA 29 3HB ALA 29 -1.895 16.087 15.842 203 H TYR 30 H TYR 30 -3.686 14.398 15.574 204 HA TYR 30 HA TYR 30 -3.794 12.410 17.540 205 HB2 TYR 30 1HB TYR 30 -6.287 12.489 17.125 206 HB3 TYR 30 2HB TYR 30 -5.532 14.040 17.477 207 HD1 TYR 30 2HD TYR 30 -5.209 15.697 15.675 208 HD2 TYR 30 1HD TYR 30 -7.297 12.053 14.996 209 HE1 TYR 30 2HE TYR 30 -6.154 16.631 13.606 210 HE2 TYR 30 1HE TYR 30 -8.247 12.976 12.924 211 HH TYR 30 HH TYR 30 -7.621 16.325 11.949 212 H ASP 31 H ASP 31 -4.353 12.271 14.064 213 HA ASP 31 HA ASP 31 -5.374 9.640 13.976 214 HB2 ASP 31 1HB ASP 31 -4.192 11.524 11.983 215 HB3 ASP 31 2HB ASP 31 -4.369 9.830 11.534 216 H LYS 32 H LYS 32 -4.379 7.800 14.421 217 HA LYS 32 HA LYS 32 -1.444 7.696 14.220 218 HB2 LYS 32 1HB LYS 32 -3.412 6.310 16.014 219 HB3 LYS 32 2HB LYS 32 -1.824 5.609 15.729 220 HG2 LYS 32 1HG LYS 32 -2.182 8.430 16.689 221 HG3 LYS 32 2HG LYS 32 -2.089 7.055 17.791 222 HD2 LYS 32 1HD LYS 32 0.117 6.557 17.158 223 HD3 LYS 32 2HD LYS 32 0.014 7.554 15.705 224 HE2 LYS 32 1HE LYS 32 -0.300 8.793 18.409 225 HE3 LYS 32 2HE LYS 32 1.308 8.431 17.783 226 HZ1 LYS 32 1HZ LYS 32 -0.577 9.910 16.088 227 HZ2 LYS 32 2HZ LYS 32 1.112 9.976 16.126 228 HZ3 LYS 32 3HZ LYS 32 0.209 10.732 17.340 229 H THR 33 H THR 33 -4.430 6.011 13.422 230 HA THR 33 HA THR 33 -3.231 3.730 12.249 231 HB THR 33 HB THR 33 -5.437 3.375 11.161 232 HG1 THR 33 1HG THR 33 -5.764 5.824 11.120 233 HG21 THR 33 1HG2 THR 33 -6.532 2.764 13.116 234 HG22 THR 33 2HG2 THR 33 -5.963 4.183 13.997 235 HG23 THR 33 3HG2 THR 33 -4.852 2.861 13.641 236 H ALA 34 H ALA 34 -3.821 6.948 11.112 237 HA ALA 34 HA ALA 34 -3.744 6.431 8.328 238 HB1 ALA 34 1HB ALA 34 -3.357 8.829 8.085 239 HB2 ALA 34 2HB ALA 34 -4.646 8.506 9.245 240 HB3 ALA 34 3HB ALA 34 -3.040 8.958 9.815 241 H LEU 35 H LEU 35 -2.070 5.398 7.430 242 HA LEU 35 HA LEU 35 0.582 5.481 8.418 243 HB2 LEU 35 1HB LEU 35 -0.679 3.775 6.853 244 HB3 LEU 35 2HB LEU 35 0.015 4.777 5.581 245 HG LEU 35 HG LEU 35 1.605 3.362 7.719 246 HD11 LEU 35 1HD1 LEU 35 1.713 2.575 4.862 247 HD12 LEU 35 2HD1 LEU 35 0.316 2.056 5.805 248 HD13 LEU 35 3HD1 LEU 35 1.942 1.605 6.318 249 HD21 LEU 35 1HD2 LEU 35 2.250 5.309 5.616 250 HD22 LEU 35 2HD2 LEU 35 3.301 3.894 5.673 251 HD23 LEU 35 3HD2 LEU 35 3.112 4.912 7.102 252 H ALA 36 H ALA 36 2.362 6.616 7.759 253 HA ALA 36 HA ALA 36 1.822 9.011 6.165 254 HB1 ALA 36 1HB ALA 36 3.093 10.043 7.658 255 HB2 ALA 36 2HB ALA 36 3.342 8.512 8.498 256 HB3 ALA 36 3HB ALA 36 4.460 9.014 7.229 257 H LEU 37 H LEU 37 2.772 9.420 4.243 258 HA LEU 37 HA LEU 37 4.980 7.740 3.336 259 HB2 LEU 37 1HB LEU 37 2.454 8.108 1.734 260 HB3 LEU 37 2HB LEU 37 3.895 7.228 1.227 261 HG LEU 37 HG LEU 37 2.437 6.345 3.678 262 HD11 LEU 37 1HD1 LEU 37 0.598 6.476 2.234 263 HD12 LEU 37 2HD1 LEU 37 1.144 4.804 2.112 264 HD13 LEU 37 3HD1 LEU 37 1.544 5.957 0.839 265 HD21 LEU 37 1HD2 LEU 37 4.223 4.979 3.478 266 HD22 LEU 37 2HD2 LEU 37 4.391 5.269 1.747 267 HD23 LEU 37 3HD2 LEU 37 3.174 4.137 2.338 268 H GLU 38 H GLU 38 5.874 8.543 1.225 269 HA GLU 38 HA GLU 38 5.532 11.461 0.997 270 HB2 GLU 38 1HB GLU 38 7.867 11.749 0.679 271 HB3 GLU 38 2HB GLU 38 7.685 10.718 2.091 272 HG2 GLU 38 1HG GLU 38 8.025 9.420 -0.556 273 HG3 GLU 38 2HG GLU 38 9.427 10.182 0.191 274 H VAL 39 H VAL 39 6.461 12.285 -1.144 275 HA VAL 39 HA VAL 39 5.079 10.974 -3.260 276 HB VAL 39 HB VAL 39 7.060 13.251 -3.407 277 HG11 VAL 39 1HG1 VAL 39 5.119 12.115 -5.403 278 HG12 VAL 39 2HG1 VAL 39 5.784 13.744 -5.541 279 HG13 VAL 39 3HG1 VAL 39 6.859 12.345 -5.578 280 HG21 VAL 39 1HG2 VAL 39 5.372 14.110 -2.093 281 HG22 VAL 39 2HG2 VAL 39 4.798 14.519 -3.710 282 HG23 VAL 39 3HG2 VAL 39 4.127 13.126 -2.861 283 H GLY 40 H GLY 40 5.794 9.165 -4.180 284 HA2 GLY 40 1HA GLY 40 7.322 8.201 -5.777 285 HA3 GLY 40 2HA GLY 40 8.631 9.049 -4.967 286 H ASP 41 H ASP 41 6.260 7.525 -2.991 287 HA ASP 41 HA ASP 41 8.218 5.433 -2.317 288 HB2 ASP 41 1HB ASP 41 7.310 7.234 -0.606 289 HB3 ASP 41 2HB ASP 41 5.948 6.122 -0.501 290 H ILE 42 H ILE 42 7.624 3.309 -2.262 291 HA ILE 42 HA ILE 42 5.090 2.662 -3.560 292 HB ILE 42 HB ILE 42 7.582 1.059 -3.033 293 HG12 ILE 42 1HG1 ILE 42 7.777 0.986 -5.412 294 HG13 ILE 42 2HG1 ILE 42 6.143 1.604 -5.630 295 HG21 ILE 42 1HG2 ILE 42 6.210 -0.683 -4.453 296 HG22 ILE 42 2HG2 ILE 42 6.078 -0.630 -2.696 297 HG23 ILE 42 3HG2 ILE 42 4.838 0.125 -3.696 298 HD11 ILE 42 1HD1 ILE 42 8.432 3.156 -4.447 299 HD12 ILE 42 2HD1 ILE 42 7.867 3.277 -6.113 300 HD13 ILE 42 3HD1 ILE 42 6.812 3.763 -4.787 301 H VAL 43 H VAL 43 3.384 2.111 -2.392 302 HA VAL 43 HA VAL 43 3.712 1.317 0.389 303 HB VAL 43 HB VAL 43 1.133 1.720 -1.126 304 HG11 VAL 43 1HG1 VAL 43 0.492 2.315 1.361 305 HG12 VAL 43 2HG1 VAL 43 0.498 0.645 0.791 306 HG13 VAL 43 3HG1 VAL 43 1.862 1.266 1.722 307 HG21 VAL 43 1HG2 VAL 43 1.205 3.953 0.192 308 HG22 VAL 43 2HG2 VAL 43 2.946 3.674 0.234 309 HG23 VAL 43 3HG2 VAL 43 2.112 3.812 -1.314 310 H LYS 44 H LYS 44 4.092 -0.768 0.760 311 HA LYS 44 HA LYS 44 3.063 -2.815 -1.019 312 HB2 LYS 44 1HB LYS 44 5.369 -2.940 -0.116 313 HB3 LYS 44 2HB LYS 44 4.705 -3.092 1.505 314 HG2 LYS 44 1HG LYS 44 3.447 -5.137 0.511 315 HG3 LYS 44 2HG LYS 44 4.693 -5.060 -0.737 316 HD2 LYS 44 1HD LYS 44 6.430 -5.293 0.916 317 HD3 LYS 44 2HD LYS 44 5.251 -5.196 2.226 318 HE2 LYS 44 1HE LYS 44 5.498 -7.460 2.108 319 HE3 LYS 44 2HE LYS 44 4.194 -7.250 0.941 320 HZ1 LYS 44 1HZ LYS 44 5.482 -8.200 -0.567 321 HZ2 LYS 44 2HZ LYS 44 6.770 -8.305 0.525 322 HZ3 LYS 44 3HZ LYS 44 6.586 -6.925 -0.435 323 H VAL 45 H VAL 45 0.990 -3.356 -0.773 324 HA VAL 45 HA VAL 45 -0.092 -3.593 1.954 325 HB VAL 45 HB VAL 45 -1.442 -2.073 0.765 326 HG11 VAL 45 1HG1 VAL 45 -0.966 -3.907 -1.520 327 HG12 VAL 45 2HG1 VAL 45 -2.484 -3.007 -1.488 328 HG13 VAL 45 3HG1 VAL 45 -0.945 -2.145 -1.458 329 HG21 VAL 45 1HG2 VAL 45 -2.770 -3.661 1.984 330 HG22 VAL 45 2HG2 VAL 45 -3.594 -3.285 0.471 331 HG23 VAL 45 3HG2 VAL 45 -2.714 -4.805 0.643 332 H THR 46 H THR 46 -0.676 -5.525 2.719 333 HA THR 46 HA THR 46 -0.576 -7.817 0.878 334 HB THR 46 HB THR 46 -0.140 -9.219 2.822 335 HG1 THR 46 1HG THR 46 -0.778 -8.473 4.690 336 HG21 THR 46 1HG2 THR 46 2.064 -8.292 3.484 337 HG22 THR 46 2HG2 THR 46 1.631 -6.777 2.692 338 HG23 THR 46 3HG2 THR 46 1.797 -8.253 1.742 339 H ARG 47 H ARG 47 -2.663 -5.955 2.823 340 HA ARG 47 HA ARG 47 -4.807 -7.919 2.402 341 HB2 ARG 47 1HB ARG 47 -4.095 -8.030 4.759 342 HB3 ARG 47 2HB ARG 47 -4.392 -6.305 4.925 343 HG2 ARG 47 1HG ARG 47 -6.685 -6.556 4.858 344 HG3 ARG 47 2HG ARG 47 -6.592 -8.114 4.034 345 HD2 ARG 47 1HD ARG 47 -5.690 -7.635 6.870 346 HD3 ARG 47 2HD ARG 47 -7.280 -8.255 6.428 347 HE ARG 47 HE ARG 47 -5.089 -9.769 5.338 348 HH11 ARG 47 2HH1 ARG 47 -7.206 -9.335 8.068 349 HH12 ARG 47 1HH1 ARG 47 -7.014 -10.959 8.641 350 HH21 ARG 47 2HH2 ARG 47 -4.828 -11.909 6.083 351 HH22 ARG 47 1HH2 ARG 47 -5.660 -12.422 7.512 352 H MET 48 H MET 48 -5.182 -6.516 0.530 353 HA MET 48 HA MET 48 -5.986 -3.800 0.914 354 HB2 MET 48 1HB MET 48 -5.107 -5.070 -1.233 355 HB3 MET 48 2HB MET 48 -6.822 -5.361 -1.490 356 HG2 MET 48 1HG MET 48 -7.164 -2.881 -1.277 357 HG3 MET 48 2HG MET 48 -5.410 -2.717 -1.315 358 HE1 MET 48 1HE MET 48 -5.152 -1.471 -4.337 359 HE2 MET 48 2HE MET 48 -4.332 -2.102 -2.910 360 HE3 MET 48 3HE MET 48 -4.176 -2.935 -4.457 361 H ASN 49 H ASN 49 -7.765 -3.333 2.037 362 HA ASN 49 HA ASN 49 -9.976 -5.099 2.303 363 HB2 ASN 49 1HB ASN 49 -10.158 -2.156 2.870 364 HB3 ASN 49 2HB ASN 49 -10.901 -3.500 3.733 365 HD21 ASN 49 1HD2 ASN 49 -9.727 -1.703 5.249 366 HD22 ASN 49 2HD2 ASN 49 -8.213 -2.265 5.864 367 H ILE 50 H ILE 50 -12.270 -4.210 1.873 368 HA ILE 50 HA ILE 50 -12.385 -3.522 -0.965 369 HB ILE 50 HB ILE 50 -14.569 -4.480 0.889 370 HG12 ILE 50 1HG1 ILE 50 -13.350 -6.022 -1.388 371 HG13 ILE 50 2HG1 ILE 50 -12.624 -6.053 0.215 372 HG21 ILE 50 1HG2 ILE 50 -15.760 -3.365 -0.724 373 HG22 ILE 50 2HG2 ILE 50 -14.547 -3.648 -1.970 374 HG23 ILE 50 3HG2 ILE 50 -15.616 -4.957 -1.469 375 HD11 ILE 50 1HD1 ILE 50 -14.369 -7.863 -0.551 376 HD12 ILE 50 2HD1 ILE 50 -14.324 -7.271 1.110 377 HD13 ILE 50 3HD1 ILE 50 -15.522 -6.639 -0.019 378 H ASN 51 H ASN 51 -13.553 -2.400 2.174 379 HA ASN 51 HA ASN 51 -15.281 -0.400 1.456 380 HB2 ASN 51 1HB ASN 51 -14.981 0.498 3.585 381 HB3 ASN 51 2HB ASN 51 -14.458 -1.169 3.804 382 HD21 ASN 51 1HD2 ASN 51 -12.385 -1.593 4.347 383 HD22 ASN 51 2HD2 ASN 51 -11.196 -0.376 4.647 384 H GLY 52 H GLY 52 -11.745 -0.098 1.789 385 HA2 GLY 52 1HA GLY 52 -11.199 1.407 -0.406 386 HA3 GLY 52 2HA GLY 52 -11.760 2.594 0.762 387 H GLN 53 H GLN 53 -10.697 1.684 3.105 388 HA GLN 53 HA GLN 53 -7.985 2.514 2.857 389 HB2 GLN 53 1HB GLN 53 -9.762 1.665 5.096 390 HB3 GLN 53 2HB GLN 53 -8.024 1.665 5.369 391 HG2 GLN 53 1HG GLN 53 -7.860 3.933 5.249 392 HG3 GLN 53 2HG GLN 53 -9.250 4.089 4.176 393 HE21 GLN 53 1HE2 GLN 53 -8.159 4.633 7.228 394 HE22 GLN 53 2HE2 GLN 53 -9.668 4.728 8.062 395 H TRP 54 H TRP 54 -6.167 1.353 2.691 396 HA TRP 54 HA TRP 54 -6.413 -1.580 2.808 397 HB2 TRP 54 1HB TRP 54 -4.300 -0.022 1.315 398 HB3 TRP 54 2HB TRP 54 -4.672 -1.738 1.174 399 HD1 TRP 54 HD TRP 54 -7.968 -0.870 1.099 400 HE1 TRP 54 1HE TRP 54 -8.868 -0.189 -1.214 401 HE3 TRP 54 3HE TRP 54 -3.534 0.168 -1.224 402 HZ2 TRP 54 2HZ TRP 54 -7.835 0.673 -3.695 403 HZ3 TRP 54 3HZ TRP 54 -3.577 0.915 -3.568 404 HH2 TRP 54 HH TRP 54 -5.684 1.161 -4.776 405 H GLU 55 H GLU 55 -4.592 -2.782 3.624 406 HA GLU 55 HA GLU 55 -3.168 -1.303 5.724 407 HB2 GLU 55 1HB GLU 55 -4.691 -3.364 6.180 408 HB3 GLU 55 2HB GLU 55 -3.327 -4.296 5.579 409 HG2 GLU 55 1HG GLU 55 -1.994 -2.860 7.328 410 HG3 GLU 55 2HG GLU 55 -3.585 -2.698 8.070 411 H GLY 56 H GLY 56 -1.207 -0.672 5.084 412 HA2 GLY 56 1HA GLY 56 0.504 -2.678 3.757 413 HA3 GLY 56 2HA GLY 56 0.451 -1.016 3.188 414 H GLU 57 H GLU 57 2.838 -2.173 3.909 415 HA GLU 57 HA GLU 57 3.454 -0.817 6.453 416 HB2 GLU 57 1HB GLU 57 3.689 -3.298 6.535 417 HB3 GLU 57 2HB GLU 57 4.904 -3.189 5.269 418 HG2 GLU 57 1HG GLU 57 5.287 -1.577 7.734 419 HG3 GLU 57 2HG GLU 57 5.563 -3.316 7.811 420 H VAL 58 H VAL 58 4.693 0.915 6.242 421 HA VAL 58 HA VAL 58 6.853 0.945 4.289 422 HB VAL 58 HB VAL 58 4.750 3.115 4.342 423 HG11 VAL 58 1HG1 VAL 58 7.309 3.582 3.881 424 HG12 VAL 58 2HG1 VAL 58 6.889 2.962 2.283 425 HG13 VAL 58 3HG1 VAL 58 6.044 4.366 2.936 426 HG21 VAL 58 1HG2 VAL 58 3.999 1.063 3.214 427 HG22 VAL 58 2HG2 VAL 58 4.201 2.404 2.086 428 HG23 VAL 58 3HG2 VAL 58 5.419 1.131 2.170 429 H ASN 59 H ASN 59 8.621 1.878 5.104 430 HA ASN 59 HA ASN 59 10.014 3.019 6.493 431 HB2 ASN 59 1HB ASN 59 7.596 4.728 7.113 432 HB3 ASN 59 2HB ASN 59 9.282 5.160 7.379 433 HD21 ASN 59 1HD2 ASN 59 7.259 6.514 5.801 434 HD22 ASN 59 2HD2 ASN 59 7.878 6.601 4.191 435 H GLY 60 H GLY 60 9.174 0.716 7.544 436 HA2 GLY 60 1HA GLY 60 8.810 -0.441 9.497 437 HA3 GLY 60 2HA GLY 60 9.634 0.916 10.252 438 H ARG 61 H ARG 61 6.520 0.971 8.582 439 HA ARG 61 HA ARG 61 5.076 1.140 11.093 440 HB2 ARG 61 1HB ARG 61 5.795 3.450 10.755 441 HB3 ARG 61 2HB ARG 61 5.123 3.438 9.130 442 HG2 ARG 61 1HG ARG 61 2.880 2.980 10.200 443 HG3 ARG 61 2HG ARG 61 3.649 3.353 11.744 444 HD2 ARG 61 1HD ARG 61 3.864 5.255 9.444 445 HD3 ARG 61 2HD ARG 61 2.411 5.227 10.442 446 HE ARG 61 HE ARG 61 5.022 6.205 11.191 447 HH11 ARG 61 2HH1 ARG 61 1.921 5.078 12.302 448 HH12 ARG 61 1HH1 ARG 61 2.039 5.867 13.841 449 HH21 ARG 61 2HH2 ARG 61 5.190 7.248 13.213 450 HH22 ARG 61 1HH2 ARG 61 3.899 7.101 14.357 451 H LYS 62 H LYS 62 2.914 0.639 10.907 452 HA LYS 62 HA LYS 62 1.953 0.003 8.195 453 HB2 LYS 62 1HB LYS 62 1.439 -1.567 10.728 454 HB3 LYS 62 2HB LYS 62 0.762 -1.929 9.145 455 HG2 LYS 62 1HG LYS 62 2.505 -3.395 9.187 456 HG3 LYS 62 2HG LYS 62 3.291 -2.003 8.438 457 HD2 LYS 62 1HD LYS 62 4.824 -2.563 10.062 458 HD3 LYS 62 2HD LYS 62 3.850 -1.362 10.913 459 HE2 LYS 62 1HE LYS 62 3.177 -4.279 11.061 460 HE3 LYS 62 2HE LYS 62 4.419 -3.585 12.102 461 HZ1 LYS 62 1HZ LYS 62 2.629 -3.273 13.425 462 HZ2 LYS 62 2HZ LYS 62 1.530 -3.194 12.142 463 HZ3 LYS 62 3HZ LYS 62 2.485 -1.850 12.522 464 H GLY 63 H GLY 63 0.249 1.190 7.659 465 HA2 GLY 63 1HA GLY 63 -1.893 1.608 9.581 466 HA3 GLY 63 2HA GLY 63 -1.082 3.063 9.021 467 H LEU 64 H LEU 64 -3.711 2.912 8.562 468 HA LEU 64 HA LEU 64 -4.234 1.777 5.953 469 HB2 LEU 64 1HB LEU 64 -5.976 3.565 7.641 470 HB3 LEU 64 2HB LEU 64 -6.484 2.617 6.245 471 HG LEU 64 HG LEU 64 -5.506 1.462 8.856 472 HD11 LEU 64 1HD1 LEU 64 -7.788 0.936 9.338 473 HD12 LEU 64 2HD1 LEU 64 -8.318 1.571 7.782 474 HD13 LEU 64 3HD1 LEU 64 -7.681 2.665 9.010 475 HD21 LEU 64 1HD2 LEU 64 -5.059 -0.021 7.015 476 HD22 LEU 64 2HD2 LEU 64 -6.693 0.197 6.389 477 HD23 LEU 64 3HD2 LEU 64 -6.439 -0.637 7.923 478 H PHE 65 H PHE 65 -4.058 2.796 4.066 479 HA PHE 65 HA PHE 65 -3.797 5.731 4.085 480 HB2 PHE 65 1HB PHE 65 -2.234 5.518 2.187 481 HB3 PHE 65 2HB PHE 65 -1.631 4.705 3.627 482 HD1 PHE 65 1HD PHE 65 -1.848 2.205 3.785 483 HD2 PHE 65 2HD PHE 65 -2.547 4.356 0.179 484 HE1 PHE 65 1HE PHE 65 -1.566 0.128 2.496 485 HE2 PHE 65 2HE PHE 65 -2.267 2.282 -1.115 486 HZ PHE 65 HZ PHE 65 -1.777 0.165 0.043 487 HA PRO 66 HA PRO 66 -7.164 5.804 1.253 488 HB2 PRO 66 1HB PRO 66 -6.696 8.209 0.083 489 HB3 PRO 66 2HB PRO 66 -7.319 8.047 1.729 490 HG2 PRO 66 1HG PRO 66 -4.520 8.570 0.807 491 HG3 PRO 66 2HG PRO 66 -5.418 9.320 2.139 492 HD2 PRO 66 1HD PRO 66 -3.594 7.358 2.534 493 HD3 PRO 66 2HD PRO 66 -5.027 7.553 3.565 494 H PHE 67 H PHE 67 -7.553 5.080 -0.762 495 HA PHE 67 HA PHE 67 -5.324 4.438 -2.462 496 HB2 PHE 67 1HB PHE 67 -7.081 3.436 -3.933 497 HB3 PHE 67 2HB PHE 67 -7.107 2.827 -2.281 498 HD1 PHE 67 1HD PHE 67 -8.889 3.503 -0.738 499 HD2 PHE 67 2HD PHE 67 -8.900 4.691 -4.825 500 HE1 PHE 67 1HE PHE 67 -11.269 4.099 -0.554 501 HE2 PHE 67 2HE PHE 67 -11.279 5.290 -4.648 502 HZ PHE 67 HZ PHE 67 -12.467 4.996 -2.510 503 H THR 68 H THR 68 -7.331 7.112 -2.103 504 HA THR 68 HA THR 68 -7.309 7.924 -4.882 505 HB THR 68 HB THR 68 -8.295 10.064 -3.965 506 HG1 THR 68 1HG THR 68 -8.499 10.293 -1.858 507 HG21 THR 68 1HG2 THR 68 -10.192 8.220 -2.867 508 HG22 THR 68 2HG2 THR 68 -9.446 7.510 -4.299 509 HG23 THR 68 3HG2 THR 68 -10.244 9.079 -4.406 510 H HIS 69 H HIS 69 -4.989 7.822 -2.602 511 HA HIS 69 HA HIS 69 -3.749 10.358 -3.432 512 HB2 HIS 69 1HB HIS 69 -3.340 8.625 -0.998 513 HB3 HIS 69 2HB HIS 69 -2.207 9.896 -1.448 514 HD1 HIS 69 1HD HIS 69 -2.603 11.865 -0.023 515 HD2 HIS 69 2HD HIS 69 -6.159 9.989 -1.069 516 HE1 HIS 69 1HE HIS 69 -4.426 13.260 1.004 517 HE2 HIS 69 2HE HIS 69 -6.564 12.058 0.430 518 H VAL 70 H VAL 70 -3.333 6.888 -3.283 519 HA VAL 70 HA VAL 70 -0.738 7.140 -4.648 520 HB VAL 70 HB VAL 70 -0.325 4.812 -4.026 521 HG11 VAL 70 1HG1 VAL 70 -0.801 5.390 -1.370 522 HG12 VAL 70 2HG1 VAL 70 0.629 5.851 -2.296 523 HG13 VAL 70 3HG1 VAL 70 -0.716 6.980 -2.129 524 HG21 VAL 70 1HG2 VAL 70 -2.945 4.430 -3.944 525 HG22 VAL 70 2HG2 VAL 70 -1.832 3.425 -3.018 526 HG23 VAL 70 3HG2 VAL 70 -2.690 4.748 -2.229 527 H LYS 71 H LYS 71 -0.283 5.651 -6.403 528 HA LYS 71 HA LYS 71 -2.713 4.880 -7.884 529 HB2 LYS 71 1HB LYS 71 -1.226 6.845 -8.737 530 HB3 LYS 71 2HB LYS 71 -0.129 5.569 -9.247 531 HG2 LYS 71 1HG LYS 71 -1.899 4.587 -10.614 532 HG3 LYS 71 2HG LYS 71 -3.003 5.865 -10.099 533 HD2 LYS 71 1HD LYS 71 -0.384 6.562 -11.369 534 HD3 LYS 71 2HD LYS 71 -1.754 6.079 -12.372 535 HE2 LYS 71 1HE LYS 71 -3.092 7.848 -11.145 536 HE3 LYS 71 2HE LYS 71 -1.558 8.420 -10.491 537 HZ1 LYS 71 1HZ LYS 71 -1.733 8.063 -13.384 538 HZ2 LYS 71 2HZ LYS 71 -0.903 9.232 -12.487 539 HZ3 LYS 71 3HZ LYS 71 -2.573 9.372 -12.717 540 H ILE 72 H ILE 72 -2.862 2.826 -8.549 541 HA ILE 72 HA ILE 72 -0.839 0.947 -7.755 542 HB ILE 72 HB ILE 72 -3.457 0.586 -9.208 543 HG12 ILE 72 1HG1 ILE 72 -3.576 1.231 -6.817 544 HG13 ILE 72 2HG1 ILE 72 -4.214 -0.383 -7.110 545 HG21 ILE 72 1HG2 ILE 72 -2.302 -1.238 -10.001 546 HG22 ILE 72 2HG2 ILE 72 -1.295 -1.362 -8.559 547 HG23 ILE 72 3HG2 ILE 72 -2.978 -1.886 -8.506 548 HD11 ILE 72 1HD1 ILE 72 -2.091 -1.337 -6.325 549 HD12 ILE 72 2HD1 ILE 72 -1.513 0.292 -5.972 550 HD13 ILE 72 3HD1 ILE 72 -2.897 -0.362 -5.096 551 H PHE 73 H PHE 73 0.912 0.558 -8.926 552 HA PHE 73 HA PHE 73 0.682 0.626 -11.863 553 HB2 PHE 73 1HB PHE 73 2.819 1.552 -12.052 554 HB3 PHE 73 2HB PHE 73 2.146 2.395 -10.661 555 HD1 PHE 73 1HD PHE 73 2.871 1.794 -8.382 556 HD2 PHE 73 2HD PHE 73 4.695 0.114 -11.841 557 HE1 PHE 73 1HE PHE 73 4.791 1.080 -7.019 558 HE2 PHE 73 2HE PHE 73 6.617 -0.603 -10.484 559 HZ PHE 73 HZ PHE 73 6.667 -0.121 -8.069 560 H ASP 74 H ASP 74 2.224 -0.793 -13.007 561 HA ASP 74 HA ASP 74 2.284 -3.401 -11.727 562 HB2 ASP 74 1HB ASP 74 1.610 -2.762 -14.215 563 HB3 ASP 74 2HB ASP 74 3.339 -2.967 -14.483 564 HA PRO 75 HA PRO 75 6.538 -3.118 -10.580 565 HB2 PRO 75 1HB PRO 75 6.981 -5.763 -10.154 566 HB3 PRO 75 2HB PRO 75 6.061 -4.750 -9.034 567 HG2 PRO 75 1HG PRO 75 5.067 -6.635 -11.136 568 HG3 PRO 75 2HG PRO 75 4.484 -6.400 -9.479 569 HD2 PRO 75 1HD PRO 75 3.242 -5.318 -11.628 570 HD3 PRO 75 2HD PRO 75 3.266 -4.525 -10.040 571 H GLN 76 H GLN 76 5.361 -4.549 -13.399 572 HA GLN 76 HA GLN 76 6.307 -5.304 -15.331 573 HB2 GLN 76 1HB GLN 76 8.142 -3.174 -14.340 574 HB3 GLN 76 2HB GLN 76 8.664 -4.141 -15.713 575 HG2 GLN 76 1HG GLN 76 6.899 -3.405 -17.053 576 HG3 GLN 76 2HG GLN 76 5.986 -2.802 -15.671 577 HE21 GLN 76 1HE2 GLN 76 5.784 -0.795 -16.737 578 HE22 GLN 76 2HE2 GLN 76 7.096 0.329 -16.778 579 H ASN 77 H ASN 77 6.855 -6.816 -12.862 580 HA ASN 77 HA ASN 77 9.269 -7.778 -12.325 581 HB2 ASN 77 1HB ASN 77 6.708 -9.249 -12.834 582 HB3 ASN 77 2HB ASN 77 8.173 -10.161 -12.480 583 HD21 ASN 77 1HD2 ASN 77 9.049 -10.093 -10.443 584 HD22 ASN 77 2HD2 ASN 77 8.229 -9.399 -9.091 585 HA PRO 78 HA PRO 78 10.737 -8.544 -16.560 586 HB2 PRO 78 1HB PRO 78 13.363 -8.330 -15.905 587 HB3 PRO 78 2HB PRO 78 12.335 -6.928 -16.223 588 HG2 PRO 78 1HG PRO 78 13.167 -8.110 -13.602 589 HG3 PRO 78 2HG PRO 78 13.081 -6.406 -14.084 590 HD2 PRO 78 1HD PRO 78 11.159 -7.597 -12.594 591 HD3 PRO 78 2HD PRO 78 10.804 -6.294 -13.748 592 H ASP 79 H ASP 79 10.990 -10.232 -13.635 593 HA ASP 79 HA ASP 79 12.697 -12.347 -14.625 594 HB2 ASP 79 1HB ASP 79 12.497 -11.547 -12.182 595 HB3 ASP 79 2HB ASP 79 11.010 -12.489 -12.136 596 H GLU 80 H GLU 80 12.080 -14.310 -15.381 597 HA GLU 80 HA GLU 80 9.186 -14.832 -15.562 598 HB2 GLU 80 1HB GLU 80 11.316 -15.194 -17.665 599 HB3 GLU 80 2HB GLU 80 9.750 -15.987 -17.760 600 HG2 GLU 80 1HG GLU 80 8.609 -13.970 -18.024 601 HG3 GLU 80 2HG GLU 80 9.976 -13.018 -17.446 602 H ASN 81 H ASN 81 8.813 -16.451 -14.185 603 HA ASN 81 HA ASN 81 10.769 -18.613 -13.935 604 HB2 ASN 81 1HB ASN 81 8.279 -18.120 -12.289 605 HB3 ASN 81 2HB ASN 81 9.578 -19.252 -11.924 606 HD21 ASN 81 1HD2 ASN 81 11.826 -17.975 -12.145 607 HD22 ASN 81 2HD2 ASN 81 11.894 -16.566 -11.147 608 H GLU 82 H GLU 82 7.220 -18.310 -14.190 609 HA GLU 82 HA GLU 82 7.068 -20.259 -16.269 610 HB2 GLU 82 1HB GLU 82 5.893 -22.004 -15.080 611 HB3 GLU 82 2HB GLU 82 7.449 -21.729 -14.310 612 HG2 GLU 82 1HG GLU 82 4.820 -20.635 -13.340 613 HG3 GLU 82 2HG GLU 82 5.633 -22.059 -12.695 614 H SER 83 H SER 83 4.821 -20.684 -16.927 615 HA SER 83 HA SER 83 2.906 -18.694 -15.929 616 HB2 SER 83 1HB SER 83 2.263 -18.093 -18.208 617 HB3 SER 83 2HB SER 83 3.983 -17.785 -17.965 618 HG SER 83 HG SER 83 2.956 -19.169 -19.881 619 H GLY 84 H GLY 84 0.876 -19.437 -15.695 620 HA2 GLY 84 1HA GLY 84 -0.276 -21.498 -17.262 621 HA3 GLY 84 2HA GLY 84 0.300 -22.159 -15.739 622 HA PRO 85 HA PRO 85 -3.254 -18.954 -14.840 623 HB2 PRO 85 1HB PRO 85 -4.948 -18.563 -16.925 624 HB3 PRO 85 2HB PRO 85 -3.537 -17.541 -16.629 625 HG2 PRO 85 1HG PRO 85 -3.858 -19.818 -18.545 626 HG3 PRO 85 2HG PRO 85 -3.080 -18.245 -18.798 627 HD2 PRO 85 1HD PRO 85 -1.673 -20.501 -18.290 628 HD3 PRO 85 2HD PRO 85 -1.134 -18.898 -17.751 629 H SER 86 H SER 86 -4.965 -19.777 -13.782 630 HA SER 86 HA SER 86 -6.162 -22.257 -14.833 631 HB2 SER 86 1HB SER 86 -5.760 -21.385 -11.963 632 HB3 SER 86 2HB SER 86 -6.652 -22.825 -12.452 633 HG SER 86 HG SER 86 -3.897 -22.282 -12.655 634 H SER 87 H SER 87 -8.415 -22.616 -14.385 635 HA SER 87 HA SER 87 -9.999 -20.297 -14.837 636 HB2 SER 87 1HB SER 87 -10.546 -22.568 -15.723 637 HB3 SER 87 2HB SER 87 -10.939 -23.073 -14.079 638 HG SER 87 HG SER 87 -12.351 -21.001 -14.291 639 H GLY 88 H GLY 88 -11.389 -19.205 -13.497 640 HA2 GLY 88 1HA GLY 88 -12.642 -19.485 -11.282 641 HA3 GLY 88 2HA GLY 88 -11.034 -19.745 -10.621 Start of MODEL 9 1 H1 GLY 1 H GLY 1 12.920 0.521 -21.930 2 HA2 GLY 1 1HA GLY 1 13.160 2.948 -20.821 3 HA3 GLY 1 2HA GLY 1 12.373 3.344 -22.341 4 H SER 2 H SER 2 10.540 4.113 -21.224 5 HA SER 2 HA SER 2 8.612 2.047 -20.643 6 HB2 SER 2 1HB SER 2 9.347 4.043 -18.488 7 HB3 SER 2 2HB SER 2 8.047 2.856 -18.399 8 HG SER 2 HG SER 2 9.651 1.802 -17.441 9 H SER 3 H SER 3 6.437 3.027 -20.138 10 HA SER 3 HA SER 3 6.146 5.693 -21.347 11 HB2 SER 3 1HB SER 3 4.358 4.991 -22.736 12 HB3 SER 3 2HB SER 3 5.606 3.761 -22.937 13 HG SER 3 HG SER 3 4.354 2.710 -21.095 14 H GLY 4 H GLY 4 4.773 7.036 -20.323 15 HA2 GLY 4 1HA GLY 4 3.689 6.198 -17.789 16 HA3 GLY 4 2HA GLY 4 3.606 7.812 -18.479 17 H SER 5 H SER 5 2.153 4.601 -18.546 18 HA SER 5 HA SER 5 -0.433 5.822 -19.090 19 HB2 SER 5 1HB SER 5 0.920 3.845 -20.909 20 HB3 SER 5 2HB SER 5 -0.839 3.927 -20.816 21 HG SER 5 HG SER 5 -0.677 6.144 -21.384 22 H SER 6 H SER 6 -2.071 4.818 -18.060 23 HA SER 6 HA SER 6 -1.707 3.150 -15.941 24 HB2 SER 6 1HB SER 6 -4.092 3.522 -17.743 25 HB3 SER 6 2HB SER 6 -4.157 2.447 -16.346 26 HG SER 6 HG SER 6 -4.132 4.120 -15.042 27 H GLY 7 H GLY 7 -2.496 2.156 -19.262 28 HA2 GLY 7 1HA GLY 7 -2.064 0.180 -20.361 29 HA3 GLY 7 2HA GLY 7 -1.032 -0.275 -19.013 30 HA PRO 8 HA PRO 8 -4.915 -2.916 -19.119 31 HB2 PRO 8 1HB PRO 8 -3.641 -5.299 -19.390 32 HB3 PRO 8 2HB PRO 8 -4.139 -4.313 -20.770 33 HG2 PRO 8 1HG PRO 8 -1.445 -4.550 -19.486 34 HG3 PRO 8 2HG PRO 8 -1.863 -4.504 -21.209 35 HD2 PRO 8 1HD PRO 8 -0.928 -2.339 -19.878 36 HD3 PRO 8 2HD PRO 8 -2.079 -2.210 -21.224 37 H LEU 9 H LEU 9 -5.275 -4.916 -17.679 38 HA LEU 9 HA LEU 9 -4.347 -4.250 -15.039 39 HB2 LEU 9 1HB LEU 9 -5.818 -6.091 -14.318 40 HB3 LEU 9 2HB LEU 9 -6.639 -4.897 -15.322 41 HG LEU 9 HG LEU 9 -6.045 -6.646 -17.229 42 HD11 LEU 9 1HD1 LEU 9 -4.846 -8.233 -15.948 43 HD12 LEU 9 2HD1 LEU 9 -6.425 -8.946 -16.277 44 HD13 LEU 9 3HD1 LEU 9 -6.082 -8.258 -14.690 45 HD21 LEU 9 1HD2 LEU 9 -8.266 -6.121 -17.051 46 HD22 LEU 9 2HD2 LEU 9 -8.328 -6.476 -15.324 47 HD23 LEU 9 3HD2 LEU 9 -8.295 -7.795 -16.496 48 HA PRO 10 HA PRO 10 -1.000 -7.075 -14.691 49 HB2 PRO 10 1HB PRO 10 -1.100 -7.629 -12.035 50 HB3 PRO 10 2HB PRO 10 -0.542 -6.078 -12.673 51 HG2 PRO 10 1HG PRO 10 -3.219 -6.812 -11.553 52 HG3 PRO 10 2HG PRO 10 -2.254 -5.350 -11.278 53 HD2 PRO 10 1HD PRO 10 -4.343 -5.414 -12.999 54 HD3 PRO 10 2HD PRO 10 -2.921 -4.385 -13.262 55 H SER 11 H SER 11 -0.446 -9.285 -14.161 56 HA SER 11 HA SER 11 -2.243 -11.181 -15.029 57 HB2 SER 11 1HB SER 11 0.252 -11.463 -14.765 58 HB3 SER 11 2HB SER 11 -0.029 -11.744 -13.047 59 HG SER 11 HG SER 11 0.015 -13.590 -14.732 60 H THR 12 H THR 12 -2.816 -13.197 -13.593 61 HA THR 12 HA THR 12 -4.325 -12.161 -11.288 62 HB THR 12 HB THR 12 -5.814 -14.112 -11.583 63 HG1 THR 12 1HG THR 12 -5.397 -15.611 -13.058 64 HG21 THR 12 1HG2 THR 12 -6.076 -13.186 -14.275 65 HG22 THR 12 2HG2 THR 12 -5.612 -11.833 -13.244 66 HG23 THR 12 3HG2 THR 12 -7.052 -12.777 -12.865 67 H GLN 13 H GLN 13 -4.002 -12.975 -9.301 68 HA GLN 13 HA GLN 13 -2.977 -14.081 -7.595 69 HB2 GLN 13 1HB GLN 13 -3.636 -16.215 -9.570 70 HB3 GLN 13 2HB GLN 13 -2.627 -16.639 -8.194 71 HG2 GLN 13 1HG GLN 13 -4.431 -15.618 -6.739 72 HG3 GLN 13 2HG GLN 13 -5.441 -15.602 -8.183 73 HE21 GLN 13 1HE2 GLN 13 -5.572 -17.101 -5.594 74 HE22 GLN 13 2HE2 GLN 13 -5.731 -18.758 -6.056 75 H ASN 14 H ASN 14 -1.187 -12.612 -8.945 76 HA ASN 14 HA ASN 14 1.102 -14.316 -9.574 77 HB2 ASN 14 1HB ASN 14 0.856 -12.630 -11.195 78 HB3 ASN 14 2HB ASN 14 0.505 -11.396 -9.988 79 HD21 ASN 14 1HD2 ASN 14 2.073 -9.991 -9.780 80 HD22 ASN 14 2HD2 ASN 14 3.764 -10.314 -9.918 81 H GLY 15 H GLY 15 0.118 -11.766 -7.326 82 HA2 GLY 15 1HA GLY 15 1.456 -12.692 -5.116 83 HA3 GLY 15 2HA GLY 15 2.632 -11.692 -5.956 84 HA PRO 16 HA PRO 16 0.323 -8.919 -3.091 85 HB2 PRO 16 1HB PRO 16 2.516 -7.502 -2.347 86 HB3 PRO 16 2HB PRO 16 2.042 -9.016 -1.568 87 HG2 PRO 16 1HG PRO 16 4.112 -8.539 -3.677 88 HG3 PRO 16 2HG PRO 16 4.203 -9.562 -2.231 89 HD2 PRO 16 1HD PRO 16 3.715 -10.567 -4.698 90 HD3 PRO 16 2HD PRO 16 3.036 -11.285 -3.223 91 H VAL 17 H VAL 17 -0.200 -6.731 -3.349 92 HA VAL 17 HA VAL 17 0.545 -5.621 -5.956 93 HB VAL 17 HB VAL 17 -1.682 -4.832 -4.073 94 HG11 VAL 17 1HG1 VAL 17 -1.302 -2.874 -5.214 95 HG12 VAL 17 2HG1 VAL 17 -0.715 -3.702 -6.658 96 HG13 VAL 17 3HG1 VAL 17 -2.441 -3.675 -6.296 97 HG21 VAL 17 1HG2 VAL 17 -2.744 -6.584 -4.943 98 HG22 VAL 17 2HG2 VAL 17 -2.739 -5.728 -6.485 99 HG23 VAL 17 3HG2 VAL 17 -1.452 -6.873 -6.107 100 H PHE 18 H PHE 18 1.486 -3.640 -6.209 101 HA PHE 18 HA PHE 18 2.325 -2.261 -3.743 102 HB2 PHE 18 1HB PHE 18 3.846 -2.638 -6.328 103 HB3 PHE 18 2HB PHE 18 4.357 -1.556 -5.036 104 HD1 PHE 18 2HD PHE 18 3.665 -5.099 -5.846 105 HD2 PHE 18 1HD PHE 18 5.546 -2.360 -3.185 106 HE1 PHE 18 2HE PHE 18 4.824 -6.970 -4.745 107 HE2 PHE 18 1HE PHE 18 6.709 -4.226 -2.081 108 HZ PHE 18 HZ PHE 18 6.348 -6.535 -2.860 109 H ALA 19 H ALA 19 1.668 -0.228 -3.547 110 HA ALA 19 HA ALA 19 0.801 1.202 -5.975 111 HB1 ALA 19 1HB ALA 19 -1.064 1.949 -4.942 112 HB2 ALA 19 2HB ALA 19 -0.828 0.503 -3.960 113 HB3 ALA 19 3HB ALA 19 -0.276 2.070 -3.368 114 H LYS 20 H LYS 20 2.073 2.841 -6.500 115 HA LYS 20 HA LYS 20 3.989 3.913 -4.639 116 HB2 LYS 20 1HB LYS 20 4.793 3.728 -6.841 117 HB3 LYS 20 2HB LYS 20 3.337 4.439 -7.527 118 HG2 LYS 20 1HG LYS 20 4.002 6.591 -6.387 119 HG3 LYS 20 2HG LYS 20 5.557 5.826 -6.054 120 HD2 LYS 20 1HD LYS 20 5.535 5.319 -8.614 121 HD3 LYS 20 2HD LYS 20 4.359 6.634 -8.671 122 HE2 LYS 20 1HE LYS 20 6.202 7.835 -7.188 123 HE3 LYS 20 2HE LYS 20 7.257 6.692 -8.017 124 HZ1 LYS 20 1HZ LYS 20 6.168 7.536 -10.130 125 HZ2 LYS 20 2HZ LYS 20 7.244 8.586 -9.355 126 HZ3 LYS 20 3HZ LYS 20 5.576 8.818 -9.197 127 H ALA 21 H ALA 21 4.053 5.956 -3.758 128 HA ALA 21 HA ALA 21 1.500 7.252 -3.411 129 HB1 ALA 21 1HB ALA 21 3.713 6.956 -1.822 130 HB2 ALA 21 2HB ALA 21 3.824 8.643 -2.326 131 HB3 ALA 21 3HB ALA 21 2.370 8.058 -1.516 132 H ILE 22 H ILE 22 0.810 8.435 -5.096 133 HA ILE 22 HA ILE 22 2.631 9.976 -6.719 134 HB ILE 22 HB ILE 22 0.528 10.752 -7.859 135 HG12 ILE 22 1HG1 ILE 22 -0.830 8.646 -6.177 136 HG13 ILE 22 2HG1 ILE 22 -0.894 10.361 -5.786 137 HG21 ILE 22 1HG2 ILE 22 0.054 7.991 -8.194 138 HG22 ILE 22 2HG2 ILE 22 1.031 9.059 -9.200 139 HG23 ILE 22 3HG2 ILE 22 1.774 8.187 -7.859 140 HD11 ILE 22 1HD1 ILE 22 -2.002 8.981 -8.209 141 HD12 ILE 22 2HD1 ILE 22 -2.881 9.842 -6.945 142 HD13 ILE 22 3HD1 ILE 22 -1.860 10.733 -8.073 143 H GLN 23 H GLN 23 0.827 10.489 -3.877 144 HA GLN 23 HA GLN 23 1.343 13.378 -4.068 145 HB2 GLN 23 1HB GLN 23 -1.178 11.964 -3.355 146 HB3 GLN 23 2HB GLN 23 -0.787 13.435 -2.474 147 HG2 GLN 23 1HG GLN 23 -0.966 14.766 -4.347 148 HG3 GLN 23 2HG GLN 23 -0.692 13.423 -5.455 149 HE21 GLN 23 1HE2 GLN 23 -2.446 11.630 -5.117 150 HE22 GLN 23 2HE2 GLN 23 -4.072 12.212 -5.136 151 H LYS 24 H LYS 24 1.079 14.382 -1.767 152 HA LYS 24 HA LYS 24 2.818 12.828 -0.013 153 HB2 LYS 24 1HB LYS 24 3.538 15.085 -0.461 154 HB3 LYS 24 2HB LYS 24 1.973 15.728 0.020 155 HG2 LYS 24 1HG LYS 24 2.358 15.179 2.301 156 HG3 LYS 24 2HG LYS 24 3.802 14.250 1.894 157 HD2 LYS 24 1HD LYS 24 4.607 16.300 2.716 158 HD3 LYS 24 2HD LYS 24 4.740 16.429 0.960 159 HE2 LYS 24 1HE LYS 24 3.761 18.438 1.409 160 HE3 LYS 24 2HE LYS 24 2.313 17.451 1.216 161 HZ1 LYS 24 1HZ LYS 24 1.811 17.607 3.387 162 HZ2 LYS 24 2HZ LYS 24 2.766 19.001 3.327 163 HZ3 LYS 24 3HZ LYS 24 3.423 17.550 3.896 164 H ARG 25 H ARG 25 2.193 11.967 1.875 165 HA ARG 25 HA ARG 25 -0.557 12.518 2.774 166 HB2 ARG 25 1HB ARG 25 0.303 10.134 1.980 167 HB3 ARG 25 2HB ARG 25 0.894 10.060 3.635 168 HG2 ARG 25 1HG ARG 25 -1.955 10.745 2.995 169 HG3 ARG 25 2HG ARG 25 -1.400 9.078 3.169 170 HD2 ARG 25 1HD ARG 25 -2.070 9.497 5.313 171 HD3 ARG 25 2HD ARG 25 -0.387 10.012 5.415 172 HE ARG 25 HE ARG 25 -1.142 12.106 5.876 173 HH11 ARG 25 2HH1 ARG 25 -3.632 10.406 4.135 174 HH12 ARG 25 1HH1 ARG 25 -4.776 11.702 4.245 175 HH21 ARG 25 2HH2 ARG 25 -2.639 13.821 6.026 176 HH22 ARG 25 1HH2 ARG 25 -4.210 13.645 5.320 177 H VAL 26 H VAL 26 -0.612 13.781 4.505 178 HA VAL 26 HA VAL 26 1.457 13.417 6.575 179 HB VAL 26 HB VAL 26 0.925 15.857 7.168 180 HG11 VAL 26 1HG1 VAL 26 2.934 16.196 6.287 181 HG12 VAL 26 2HG1 VAL 26 2.775 14.677 5.403 182 HG13 VAL 26 3HG1 VAL 26 2.258 16.190 4.658 183 HG21 VAL 26 1HG2 VAL 26 -1.066 16.130 5.825 184 HG22 VAL 26 2HG2 VAL 26 0.183 17.238 5.257 185 HG23 VAL 26 3HG2 VAL 26 -0.163 15.763 4.355 186 HA PRO 27 HA PRO 27 -2.468 12.339 8.635 187 HB2 PRO 27 1HB PRO 27 -1.291 10.732 10.480 188 HB3 PRO 27 2HB PRO 27 -1.703 10.183 8.851 189 HG2 PRO 27 1HG PRO 27 0.937 11.089 9.935 190 HG3 PRO 27 2HG PRO 27 0.575 9.715 8.874 191 HD2 PRO 27 1HD PRO 27 1.562 12.058 7.939 192 HD3 PRO 27 2HD PRO 27 0.461 11.039 6.990 193 H CYS 28 H CYS 28 -3.293 12.890 10.687 194 HA CYS 28 HA CYS 28 -1.980 15.126 11.921 195 HB2 CYS 28 1HB CYS 28 -4.603 13.724 12.336 196 HB3 CYS 28 2HB CYS 28 -4.033 14.909 13.506 197 HG CYS 28 HG CYS 28 -5.150 15.382 10.352 198 H ALA 29 H ALA 29 -1.640 15.290 14.261 199 HA ALA 29 HA ALA 29 0.081 13.347 15.243 200 HB1 ALA 29 1HB ALA 29 -1.474 15.494 16.668 201 HB2 ALA 29 2HB ALA 29 -0.272 14.480 17.468 202 HB3 ALA 29 3HB ALA 29 0.208 15.536 16.139 203 H TYR 30 H TYR 30 -3.296 13.958 16.216 204 HA TYR 30 HA TYR 30 -3.482 11.779 17.987 205 HB2 TYR 30 1HB TYR 30 -5.970 12.081 17.679 206 HB3 TYR 30 2HB TYR 30 -5.095 13.527 18.169 207 HD1 TYR 30 2HD TYR 30 -4.830 15.400 16.641 208 HD2 TYR 30 1HD TYR 30 -6.951 11.905 15.463 209 HE1 TYR 30 2HE TYR 30 -5.768 16.622 14.724 210 HE2 TYR 30 1HE TYR 30 -7.894 13.117 13.542 211 HH TYR 30 HH TYR 30 -8.226 16.061 13.208 212 H ASP 31 H ASP 31 -4.032 12.073 14.533 213 HA ASP 31 HA ASP 31 -5.244 9.511 14.210 214 HB2 ASP 31 1HB ASP 31 -5.239 11.617 12.632 215 HB3 ASP 31 2HB ASP 31 -3.781 10.872 11.982 216 H LYS 32 H LYS 32 -4.161 7.728 14.754 217 HA LYS 32 HA LYS 32 -1.303 7.538 14.134 218 HB2 LYS 32 1HB LYS 32 -3.123 6.169 16.065 219 HB3 LYS 32 2HB LYS 32 -1.695 5.307 15.507 220 HG2 LYS 32 1HG LYS 32 -0.884 6.311 17.392 221 HG3 LYS 32 2HG LYS 32 -0.468 7.519 16.174 222 HD2 LYS 32 1HD LYS 32 -2.201 8.942 16.822 223 HD3 LYS 32 2HD LYS 32 -3.074 7.652 17.653 224 HE2 LYS 32 1HE LYS 32 -0.357 8.438 18.606 225 HE3 LYS 32 2HE LYS 32 -1.741 9.452 19.010 226 HZ1 LYS 32 1HZ LYS 32 -1.310 6.608 19.717 227 HZ2 LYS 32 2HZ LYS 32 -2.812 7.369 19.872 228 HZ3 LYS 32 3HZ LYS 32 -1.487 7.924 20.766 229 H THR 33 H THR 33 -4.407 6.094 13.407 230 HA THR 33 HA THR 33 -3.453 3.800 12.055 231 HB THR 33 HB THR 33 -5.733 3.799 10.965 232 HG1 THR 33 1HG THR 33 -5.846 6.231 11.312 233 HG21 THR 33 1HG2 THR 33 -5.013 3.431 13.717 234 HG22 THR 33 2HG2 THR 33 -6.192 2.546 12.749 235 HG23 THR 33 3HG2 THR 33 -6.677 4.005 13.612 236 H ALA 34 H ALA 34 -3.990 7.112 11.067 237 HA ALA 34 HA ALA 34 -3.911 6.702 8.271 238 HB1 ALA 34 1HB ALA 34 -3.299 9.155 8.218 239 HB2 ALA 34 2HB ALA 34 -4.806 8.748 9.039 240 HB3 ALA 34 3HB ALA 34 -3.361 9.114 9.980 241 H LEU 35 H LEU 35 -2.251 5.684 7.331 242 HA LEU 35 HA LEU 35 0.401 5.684 8.306 243 HB2 LEU 35 1HB LEU 35 -0.891 4.093 6.642 244 HB3 LEU 35 2HB LEU 35 -0.170 5.154 5.433 245 HG LEU 35 HG LEU 35 1.282 3.428 7.436 246 HD11 LEU 35 1HD1 LEU 35 0.204 2.671 5.088 247 HD12 LEU 35 2HD1 LEU 35 1.675 1.972 5.764 248 HD13 LEU 35 3HD1 LEU 35 1.783 3.237 4.540 249 HD21 LEU 35 1HD2 LEU 35 3.246 4.290 5.890 250 HD22 LEU 35 2HD2 LEU 35 2.743 5.177 7.330 251 HD23 LEU 35 3HD2 LEU 35 2.187 5.693 5.737 252 H ALA 36 H ALA 36 2.137 6.926 7.848 253 HA ALA 36 HA ALA 36 1.653 9.343 6.268 254 HB1 ALA 36 1HB ALA 36 4.217 9.234 7.610 255 HB2 ALA 36 2HB ALA 36 2.913 10.412 7.760 256 HB3 ALA 36 3HB ALA 36 2.880 8.933 8.720 257 H LEU 37 H LEU 37 2.613 9.717 4.366 258 HA LEU 37 HA LEU 37 5.003 8.217 3.619 259 HB2 LEU 37 1HB LEU 37 2.563 8.329 1.854 260 HB3 LEU 37 2HB LEU 37 4.088 7.520 1.499 261 HG LEU 37 HG LEU 37 2.373 6.695 3.822 262 HD11 LEU 37 1HD1 LEU 37 2.175 5.786 0.957 263 HD12 LEU 37 2HD1 LEU 37 0.916 6.549 1.927 264 HD13 LEU 37 3HD1 LEU 37 1.473 4.925 2.327 265 HD21 LEU 37 1HD2 LEU 37 3.825 4.634 2.443 266 HD22 LEU 37 2HD2 LEU 37 3.934 5.146 4.127 267 HD23 LEU 37 3HD2 LEU 37 4.907 5.951 2.896 268 H GLU 38 H GLU 38 5.947 9.046 1.551 269 HA GLU 38 HA GLU 38 5.310 11.893 1.149 270 HB2 GLU 38 1HB GLU 38 7.621 12.457 1.049 271 HB3 GLU 38 2HB GLU 38 7.394 11.506 2.510 272 HG2 GLU 38 1HG GLU 38 8.135 9.504 1.125 273 HG3 GLU 38 2HG GLU 38 8.672 10.681 -0.072 274 H VAL 39 H VAL 39 5.567 12.709 -0.935 275 HA VAL 39 HA VAL 39 4.826 11.203 -3.071 276 HB VAL 39 HB VAL 39 6.689 13.579 -3.199 277 HG11 VAL 39 1HG1 VAL 39 6.365 13.694 -5.438 278 HG12 VAL 39 2HG1 VAL 39 6.154 11.952 -5.254 279 HG13 VAL 39 3HG1 VAL 39 4.743 13.007 -5.351 280 HG21 VAL 39 1HG2 VAL 39 4.902 14.973 -2.992 281 HG22 VAL 39 2HG2 VAL 39 3.773 13.813 -3.693 282 HG23 VAL 39 3HG2 VAL 39 4.304 13.627 -2.021 283 H GLY 40 H GLY 40 5.699 9.422 -3.895 284 HA2 GLY 40 1HA GLY 40 7.362 8.385 -5.248 285 HA3 GLY 40 2HA GLY 40 8.569 9.431 -4.515 286 H ASP 41 H ASP 41 6.128 7.529 -2.820 287 HA ASP 41 HA ASP 41 8.291 5.847 -1.737 288 HB2 ASP 41 1HB ASP 41 6.155 7.377 -0.329 289 HB3 ASP 41 2HB ASP 41 6.612 5.807 0.328 290 H ILE 42 H ILE 42 8.012 3.768 -2.164 291 HA ILE 42 HA ILE 42 5.628 2.762 -3.339 292 HB ILE 42 HB ILE 42 8.012 1.269 -2.239 293 HG12 ILE 42 1HG1 ILE 42 8.591 2.796 -4.063 294 HG13 ILE 42 2HG1 ILE 42 8.703 1.122 -4.598 295 HG21 ILE 42 1HG2 ILE 42 6.859 -0.271 -4.216 296 HG22 ILE 42 2HG2 ILE 42 6.735 -0.542 -2.479 297 HG23 ILE 42 3HG2 ILE 42 5.476 0.359 -3.323 298 HD11 ILE 42 1HD1 ILE 42 7.579 1.927 -6.368 299 HD12 ILE 42 2HD1 ILE 42 6.181 1.666 -5.325 300 HD13 ILE 42 3HD1 ILE 42 6.893 3.274 -5.460 301 H VAL 43 H VAL 43 3.953 1.663 -2.480 302 HA VAL 43 HA VAL 43 4.032 1.116 0.417 303 HB VAL 43 HB VAL 43 1.538 1.809 -1.128 304 HG11 VAL 43 1HG1 VAL 43 0.858 0.742 0.802 305 HG12 VAL 43 2HG1 VAL 43 2.215 1.358 1.747 306 HG13 VAL 43 3HG1 VAL 43 0.881 2.429 1.316 307 HG21 VAL 43 1HG2 VAL 43 1.856 4.017 -0.848 308 HG22 VAL 43 2HG2 VAL 43 2.620 3.812 0.729 309 HG23 VAL 43 3HG2 VAL 43 3.561 3.579 -0.744 310 H LYS 44 H LYS 44 4.304 -1.027 0.576 311 HA LYS 44 HA LYS 44 2.947 -2.822 -1.275 312 HB2 LYS 44 1HB LYS 44 5.246 -3.353 -0.832 313 HB3 LYS 44 2HB LYS 44 4.982 -3.290 0.906 314 HG2 LYS 44 1HG LYS 44 3.339 -5.222 0.527 315 HG3 LYS 44 2HG LYS 44 4.114 -5.384 -1.050 316 HD2 LYS 44 1HD LYS 44 6.317 -5.361 0.356 317 HD3 LYS 44 2HD LYS 44 5.246 -5.827 1.680 318 HE2 LYS 44 1HE LYS 44 4.503 -7.766 0.447 319 HE3 LYS 44 2HE LYS 44 5.438 -7.269 -0.962 320 HZ1 LYS 44 1HZ LYS 44 7.267 -7.349 1.057 321 HZ2 LYS 44 2HZ LYS 44 7.050 -8.531 -0.133 322 HZ3 LYS 44 3HZ LYS 44 6.286 -8.692 1.368 323 H VAL 45 H VAL 45 0.886 -3.247 -0.814 324 HA VAL 45 HA VAL 45 0.116 -3.629 2.000 325 HB VAL 45 HB VAL 45 -1.251 -1.944 1.085 326 HG11 VAL 45 1HG1 VAL 45 -1.107 -3.594 -1.360 327 HG12 VAL 45 2HG1 VAL 45 -2.615 -2.719 -1.090 328 HG13 VAL 45 3HG1 VAL 45 -1.087 -1.841 -1.169 329 HG21 VAL 45 1HG2 VAL 45 -3.145 -2.813 1.866 330 HG22 VAL 45 2HG2 VAL 45 -3.282 -3.908 0.491 331 HG23 VAL 45 3HG2 VAL 45 -2.335 -4.379 1.901 332 H THR 46 H THR 46 -0.703 -5.529 2.693 333 HA THR 46 HA THR 46 -0.774 -7.731 0.750 334 HB THR 46 HB THR 46 -0.361 -9.246 2.527 335 HG1 THR 46 1HG THR 46 -1.765 -8.292 4.082 336 HG21 THR 46 1HG2 THR 46 1.748 -8.542 3.353 337 HG22 THR 46 2HG2 THR 46 1.295 -6.840 3.265 338 HG23 THR 46 3HG2 THR 46 1.555 -7.762 1.784 339 H ARG 47 H ARG 47 -2.688 -5.987 3.081 340 HA ARG 47 HA ARG 47 -4.954 -7.797 2.580 341 HB2 ARG 47 1HB ARG 47 -4.286 -5.974 4.876 342 HB3 ARG 47 2HB ARG 47 -5.934 -6.523 4.605 343 HG2 ARG 47 1HG ARG 47 -3.684 -8.486 4.782 344 HG3 ARG 47 2HG ARG 47 -4.431 -7.827 6.239 345 HD2 ARG 47 1HD ARG 47 -6.175 -8.937 4.091 346 HD3 ARG 47 2HD ARG 47 -5.312 -10.051 5.151 347 HE ARG 47 HE ARG 47 -7.550 -8.376 5.840 348 HH11 ARG 47 2HH1 ARG 47 -4.801 -10.143 7.042 349 HH12 ARG 47 1HH1 ARG 47 -5.449 -10.321 8.639 350 HH21 ARG 47 2HH2 ARG 47 -8.413 -8.604 7.939 351 HH22 ARG 47 1HH2 ARG 47 -7.504 -9.446 9.148 352 H MET 48 H MET 48 -5.868 -7.001 0.748 353 HA MET 48 HA MET 48 -6.352 -4.136 0.507 354 HB2 MET 48 1HB MET 48 -6.388 -6.459 -1.349 355 HB3 MET 48 2HB MET 48 -7.448 -5.108 -1.728 356 HG2 MET 48 1HG MET 48 -4.584 -4.588 -1.099 357 HG3 MET 48 2HG MET 48 -5.029 -5.209 -2.687 358 HE1 MET 48 1HE MET 48 -3.611 -2.183 -2.749 359 HE2 MET 48 2HE MET 48 -4.057 -3.455 -3.887 360 HE3 MET 48 3HE MET 48 -4.690 -1.822 -4.098 361 H ASN 49 H ASN 49 -8.019 -3.555 1.801 362 HA ASN 49 HA ASN 49 -10.334 -5.166 2.208 363 HB2 ASN 49 1HB ASN 49 -10.054 -2.202 2.737 364 HB3 ASN 49 2HB ASN 49 -11.188 -3.319 3.493 365 HD21 ASN 49 1HD2 ASN 49 -9.066 -1.549 4.589 366 HD22 ASN 49 2HD2 ASN 49 -8.080 -2.583 5.560 367 H ILE 50 H ILE 50 -12.549 -4.455 1.693 368 HA ILE 50 HA ILE 50 -12.677 -3.536 -1.079 369 HB ILE 50 HB ILE 50 -15.032 -4.328 -1.000 370 HG12 ILE 50 1HG1 ILE 50 -14.280 -5.431 1.715 371 HG13 ILE 50 2HG1 ILE 50 -15.299 -4.016 1.471 372 HG21 ILE 50 1HG2 ILE 50 -14.335 -6.347 -1.655 373 HG22 ILE 50 2HG2 ILE 50 -12.718 -5.782 -1.240 374 HG23 ILE 50 3HG2 ILE 50 -13.649 -6.721 -0.074 375 HD11 ILE 50 1HD1 ILE 50 -16.221 -6.529 1.783 376 HD12 ILE 50 2HD1 ILE 50 -17.092 -5.248 0.940 377 HD13 ILE 50 3HD1 ILE 50 -16.147 -6.423 0.025 378 H ASN 51 H ASN 51 -12.942 -2.232 1.960 379 HA ASN 51 HA ASN 51 -15.172 -0.489 1.576 380 HB2 ASN 51 1HB ASN 51 -14.594 -0.955 3.828 381 HB3 ASN 51 2HB ASN 51 -12.902 -0.543 3.560 382 HD21 ASN 51 1HD2 ASN 51 -12.426 1.715 3.062 383 HD22 ASN 51 2HD2 ASN 51 -13.396 2.946 3.790 384 H GLY 52 H GLY 52 -11.654 -0.130 1.287 385 HA2 GLY 52 1HA GLY 52 -11.473 1.484 -0.852 386 HA3 GLY 52 2HA GLY 52 -11.911 2.623 0.412 387 H GLN 53 H GLN 53 -10.502 1.783 2.561 388 HA GLN 53 HA GLN 53 -7.804 2.496 1.787 389 HB2 GLN 53 1HB GLN 53 -7.437 3.044 4.009 390 HB3 GLN 53 2HB GLN 53 -9.159 3.361 3.835 391 HG2 GLN 53 1HG GLN 53 -8.001 0.816 4.946 392 HG3 GLN 53 2HG GLN 53 -8.553 2.176 5.922 393 HE21 GLN 53 1HE2 GLN 53 -10.793 2.740 5.839 394 HE22 GLN 53 2HE2 GLN 53 -11.977 1.540 5.459 395 H TRP 54 H TRP 54 -5.951 1.280 2.202 396 HA TRP 54 HA TRP 54 -6.434 -1.581 2.722 397 HB2 TRP 54 1HB TRP 54 -4.111 -0.613 1.087 398 HB3 TRP 54 2HB TRP 54 -4.888 -2.193 1.086 399 HD1 TRP 54 HD TRP 54 -7.888 -1.260 0.580 400 HE1 TRP 54 1HE TRP 54 -8.552 -0.339 -1.730 401 HE3 TRP 54 3HE TRP 54 -3.260 0.101 -1.113 402 HZ2 TRP 54 2HZ TRP 54 -7.282 0.812 -3.973 403 HZ3 TRP 54 3HZ TRP 54 -3.071 1.104 -3.352 404 HH2 TRP 54 HH TRP 54 -5.042 1.451 -4.751 405 H GLU 55 H GLU 55 -4.375 -2.728 3.443 406 HA GLU 55 HA GLU 55 -3.023 -1.040 5.441 407 HB2 GLU 55 1HB GLU 55 -4.532 -3.045 6.124 408 HB3 GLU 55 2HB GLU 55 -3.172 -4.033 5.608 409 HG2 GLU 55 1HG GLU 55 -1.768 -2.584 7.182 410 HG3 GLU 55 2HG GLU 55 -3.310 -2.063 7.858 411 H GLY 56 H GLY 56 -1.019 -0.524 4.871 412 HA2 GLY 56 1HA GLY 56 0.682 -2.632 3.712 413 HA3 GLY 56 2HA GLY 56 0.618 -1.046 2.958 414 H GLU 57 H GLU 57 2.945 -2.348 4.014 415 HA GLU 57 HA GLU 57 3.562 -0.684 6.358 416 HB2 GLU 57 1HB GLU 57 3.886 -3.182 6.498 417 HB3 GLU 57 2HB GLU 57 5.160 -3.016 5.298 418 HG2 GLU 57 1HG GLU 57 5.281 -1.364 7.770 419 HG3 GLU 57 2HG GLU 57 5.712 -3.071 7.852 420 H VAL 58 H VAL 58 5.096 0.860 6.276 421 HA VAL 58 HA VAL 58 7.012 0.946 4.100 422 HB VAL 58 HB VAL 58 4.990 3.159 4.479 423 HG11 VAL 58 1HG1 VAL 58 6.808 4.406 3.930 424 HG12 VAL 58 2HG1 VAL 58 7.632 3.060 3.140 425 HG13 VAL 58 3HG1 VAL 58 6.332 3.912 2.306 426 HG21 VAL 58 1HG2 VAL 58 3.947 1.530 3.174 427 HG22 VAL 58 2HG2 VAL 58 4.630 2.641 1.987 428 HG23 VAL 58 3HG2 VAL 58 5.440 1.112 2.333 429 H ASN 59 H ASN 59 8.793 2.260 4.519 430 HA ASN 59 HA ASN 59 10.415 2.983 5.980 431 HB2 ASN 59 1HB ASN 59 10.114 5.217 6.507 432 HB3 ASN 59 2HB ASN 59 8.888 4.996 5.262 433 HD21 ASN 59 1HD2 ASN 59 6.694 4.666 5.944 434 HD22 ASN 59 2HD2 ASN 59 6.150 5.337 7.440 435 H GLY 60 H GLY 60 8.765 0.873 7.080 436 HA2 GLY 60 1HA GLY 60 8.633 -0.229 9.098 437 HA3 GLY 60 2HA GLY 60 9.572 1.077 9.805 438 H ARG 61 H ARG 61 6.452 1.338 8.168 439 HA ARG 61 HA ARG 61 5.097 1.761 10.713 440 HB2 ARG 61 1HB ARG 61 5.322 3.858 8.554 441 HB3 ARG 61 2HB ARG 61 4.083 3.897 9.802 442 HG2 ARG 61 1HG ARG 61 6.014 3.804 11.471 443 HG3 ARG 61 2HG ARG 61 7.049 4.203 10.099 444 HD2 ARG 61 1HD ARG 61 5.985 6.277 9.767 445 HD3 ARG 61 2HD ARG 61 4.623 5.832 10.795 446 HE ARG 61 HE ARG 61 6.715 5.752 12.498 447 HH11 ARG 61 2HH1 ARG 61 5.572 8.148 10.245 448 HH12 ARG 61 1HH1 ARG 61 6.154 9.489 11.175 449 HH21 ARG 61 2HH2 ARG 61 7.486 7.509 13.731 450 HH22 ARG 61 1HH2 ARG 61 7.244 9.124 13.157 451 H LYS 62 H LYS 62 3.270 0.650 10.656 452 HA LYS 62 HA LYS 62 2.021 0.111 8.049 453 HB2 LYS 62 1HB LYS 62 1.820 -1.370 10.676 454 HB3 LYS 62 2HB LYS 62 0.888 -1.773 9.240 455 HG2 LYS 62 1HG LYS 62 2.771 -2.502 8.074 456 HG3 LYS 62 2HG LYS 62 3.882 -1.682 9.174 457 HD2 LYS 62 1HD LYS 62 2.084 -3.858 10.175 458 HD3 LYS 62 2HD LYS 62 3.591 -4.254 9.346 459 HE2 LYS 62 1HE LYS 62 3.414 -2.413 11.724 460 HE3 LYS 62 2HE LYS 62 3.755 -4.138 11.844 461 HZ1 LYS 62 1HZ LYS 62 5.389 -2.325 10.171 462 HZ2 LYS 62 2HZ LYS 62 5.776 -3.879 10.715 463 HZ3 LYS 62 3HZ LYS 62 5.731 -2.588 11.807 464 H GLY 63 H GLY 63 0.320 1.337 7.591 465 HA2 GLY 63 1HA GLY 63 -1.752 1.721 9.597 466 HA3 GLY 63 2HA GLY 63 -0.978 3.187 9.012 467 H LEU 64 H LEU 64 -3.634 2.976 8.665 468 HA LEU 64 HA LEU 64 -4.232 1.866 6.062 469 HB2 LEU 64 1HB LEU 64 -5.875 3.476 8.007 470 HB3 LEU 64 2HB LEU 64 -6.486 2.864 6.471 471 HG LEU 64 HG LEU 64 -5.575 1.225 8.834 472 HD11 LEU 64 1HD1 LEU 64 -8.234 0.733 7.867 473 HD12 LEU 64 2HD1 LEU 64 -8.029 2.439 8.263 474 HD13 LEU 64 3HD1 LEU 64 -7.696 1.206 9.479 475 HD21 LEU 64 1HD2 LEU 64 -6.564 -0.648 7.376 476 HD22 LEU 64 2HD2 LEU 64 -4.942 -0.065 7.002 477 HD23 LEU 64 3HD2 LEU 64 -6.316 0.466 6.031 478 H PHE 65 H PHE 65 -3.943 2.901 4.210 479 HA PHE 65 HA PHE 65 -3.889 5.847 4.239 480 HB2 PHE 65 1HB PHE 65 -2.281 5.723 2.359 481 HB3 PHE 65 2HB PHE 65 -1.654 4.985 3.829 482 HD1 PHE 65 1HD PHE 65 -1.685 2.482 4.036 483 HD2 PHE 65 2HD PHE 65 -2.471 4.498 0.371 484 HE1 PHE 65 1HE PHE 65 -1.224 0.405 2.799 485 HE2 PHE 65 2HE PHE 65 -2.013 2.425 -0.872 486 HZ PHE 65 HZ PHE 65 -1.389 0.374 0.342 487 HA PRO 66 HA PRO 66 -7.169 5.749 1.311 488 HB2 PRO 66 1HB PRO 66 -6.772 8.152 0.112 489 HB3 PRO 66 2HB PRO 66 -7.428 7.990 1.745 490 HG2 PRO 66 1HG PRO 66 -4.631 8.614 0.880 491 HG3 PRO 66 2HG PRO 66 -5.591 9.348 2.179 492 HD2 PRO 66 1HD PRO 66 -3.698 7.469 2.649 493 HD3 PRO 66 2HD PRO 66 -5.161 7.620 3.643 494 H PHE 67 H PHE 67 -7.496 5.020 -0.720 495 HA PHE 67 HA PHE 67 -5.213 4.388 -2.341 496 HB2 PHE 67 1HB PHE 67 -6.631 3.022 -3.567 497 HB3 PHE 67 2HB PHE 67 -7.430 3.041 -1.998 498 HD1 PHE 67 1HD PHE 67 -9.242 4.904 -1.691 499 HD2 PHE 67 2HD PHE 67 -7.864 3.472 -5.455 500 HE1 PHE 67 1HE PHE 67 -11.309 5.713 -2.752 501 HE2 PHE 67 2HE PHE 67 -9.928 4.279 -6.522 502 HZ PHE 67 HZ PHE 67 -11.654 5.402 -5.171 503 H THR 68 H THR 68 -7.437 6.974 -2.159 504 HA THR 68 HA THR 68 -7.289 7.799 -4.897 505 HB THR 68 HB THR 68 -9.210 8.575 -3.812 506 HG1 THR 68 1HG THR 68 -8.616 10.979 -3.502 507 HG21 THR 68 1HG2 THR 68 -7.361 9.108 -1.543 508 HG22 THR 68 2HG2 THR 68 -8.957 8.360 -1.547 509 HG23 THR 68 3HG2 THR 68 -8.804 10.110 -1.689 510 H HIS 69 H HIS 69 -5.041 7.801 -2.471 511 HA HIS 69 HA HIS 69 -3.742 10.273 -3.375 512 HB2 HIS 69 1HB HIS 69 -3.350 8.538 -0.940 513 HB3 HIS 69 2HB HIS 69 -2.201 9.794 -1.393 514 HD1 HIS 69 1HD HIS 69 -3.085 10.580 1.124 515 HD2 HIS 69 2HD HIS 69 -5.635 11.130 -2.109 516 HE1 HIS 69 1HE HIS 69 -4.759 12.300 1.874 517 HE2 HIS 69 2HE HIS 69 -6.342 12.554 -0.069 518 H VAL 70 H VAL 70 -3.534 6.843 -3.533 519 HA VAL 70 HA VAL 70 -0.911 7.068 -4.862 520 HB VAL 70 HB VAL 70 -0.464 4.737 -4.197 521 HG11 VAL 70 1HG1 VAL 70 -0.439 7.034 -2.549 522 HG12 VAL 70 2HG1 VAL 70 -0.873 5.658 -1.533 523 HG13 VAL 70 3HG1 VAL 70 0.618 5.625 -2.475 524 HG21 VAL 70 1HG2 VAL 70 -2.037 4.075 -2.140 525 HG22 VAL 70 2HG2 VAL 70 -3.204 4.980 -3.105 526 HG23 VAL 70 3HG2 VAL 70 -2.379 3.585 -3.800 527 H LYS 71 H LYS 71 -0.538 5.684 -6.661 528 HA LYS 71 HA LYS 71 -3.013 4.720 -7.939 529 HB2 LYS 71 1HB LYS 71 -2.322 5.524 -9.993 530 HB3 LYS 71 2HB LYS 71 -1.701 6.763 -8.910 531 HG2 LYS 71 1HG LYS 71 0.500 5.594 -8.948 532 HG3 LYS 71 2HG LYS 71 -0.156 4.517 -10.184 533 HD2 LYS 71 1HD LYS 71 -0.232 7.497 -10.519 534 HD3 LYS 71 2HD LYS 71 1.206 6.566 -10.943 535 HE2 LYS 71 1HE LYS 71 -1.464 5.723 -11.982 536 HE3 LYS 71 2HE LYS 71 -0.622 7.072 -12.742 537 HZ1 LYS 71 1HZ LYS 71 -0.068 5.054 -13.876 538 HZ2 LYS 71 2HZ LYS 71 0.395 4.300 -12.434 539 HZ3 LYS 71 3HZ LYS 71 1.305 5.589 -13.044 540 H ILE 72 H ILE 72 -3.038 2.702 -8.802 541 HA ILE 72 HA ILE 72 -1.019 0.865 -7.962 542 HB ILE 72 HB ILE 72 -3.368 0.436 -9.812 543 HG12 ILE 72 1HG1 ILE 72 -4.136 1.102 -7.630 544 HG13 ILE 72 2HG1 ILE 72 -4.373 -0.636 -7.782 545 HG21 ILE 72 1HG2 ILE 72 -2.662 -1.642 -10.146 546 HG22 ILE 72 2HG2 ILE 72 -1.154 -1.215 -9.339 547 HG23 ILE 72 3HG2 ILE 72 -2.485 -1.906 -8.411 548 HD11 ILE 72 1HD1 ILE 72 -2.204 -0.923 -6.547 549 HD12 ILE 72 2HD1 ILE 72 -2.257 0.809 -6.220 550 HD13 ILE 72 3HD1 ILE 72 -3.536 -0.242 -5.614 551 H PHE 73 H PHE 73 0.890 0.739 -8.938 552 HA PHE 73 HA PHE 73 0.969 0.888 -11.880 553 HB2 PHE 73 1HB PHE 73 3.033 1.992 -11.808 554 HB3 PHE 73 2HB PHE 73 2.123 2.743 -10.501 555 HD1 PHE 73 1HD PHE 73 2.421 1.539 -8.156 556 HD2 PHE 73 2HD PHE 73 5.190 1.346 -11.383 557 HE1 PHE 73 1HE PHE 73 4.219 0.971 -6.575 558 HE2 PHE 73 2HE PHE 73 6.992 0.777 -9.807 559 HZ PHE 73 HZ PHE 73 6.508 0.588 -7.400 560 H ASP 74 H ASP 74 2.947 -0.256 -12.795 561 HA ASP 74 HA ASP 74 3.209 -2.860 -11.451 562 HB2 ASP 74 1HB ASP 74 3.098 -2.036 -14.320 563 HB3 ASP 74 2HB ASP 74 4.027 -3.471 -13.895 564 HA PRO 75 HA PRO 75 7.398 -1.103 -10.950 565 HB2 PRO 75 1HB PRO 75 7.948 -2.529 -8.706 566 HB3 PRO 75 2HB PRO 75 7.047 -1.008 -8.681 567 HG2 PRO 75 1HG PRO 75 6.021 -3.819 -8.590 568 HG3 PRO 75 2HG PRO 75 5.506 -2.409 -7.647 569 HD2 PRO 75 1HD PRO 75 4.133 -3.299 -9.804 570 HD3 PRO 75 2HD PRO 75 4.203 -1.582 -9.358 571 H GLN 76 H GLN 76 6.328 -4.470 -10.723 572 HA GLN 76 HA GLN 76 8.968 -5.403 -11.555 573 HB2 GLN 76 1HB GLN 76 6.504 -6.826 -10.561 574 HB3 GLN 76 2HB GLN 76 7.887 -7.688 -11.220 575 HG2 GLN 76 1HG GLN 76 9.314 -6.693 -9.492 576 HG3 GLN 76 2HG GLN 76 7.905 -5.874 -8.819 577 HE21 GLN 76 1HE2 GLN 76 9.628 -7.739 -7.496 578 HE22 GLN 76 2HE2 GLN 76 8.654 -9.088 -7.029 579 H ASN 77 H ASN 77 7.392 -3.909 -13.424 580 HA ASN 77 HA ASN 77 5.828 -5.043 -15.244 581 HB2 ASN 77 1HB ASN 77 7.178 -3.885 -17.049 582 HB3 ASN 77 2HB ASN 77 6.687 -2.868 -15.698 583 HD21 ASN 77 1HD2 ASN 77 8.417 -1.484 -16.456 584 HD22 ASN 77 2HD2 ASN 77 10.036 -1.801 -15.943 585 HA PRO 78 HA PRO 78 8.177 -8.864 -15.983 586 HB2 PRO 78 1HB PRO 78 6.011 -10.277 -16.809 587 HB3 PRO 78 2HB PRO 78 6.409 -10.039 -15.104 588 HG2 PRO 78 1HG PRO 78 4.424 -8.582 -16.807 589 HG3 PRO 78 2HG PRO 78 4.253 -9.168 -15.142 590 HD2 PRO 78 1HD PRO 78 4.785 -6.578 -15.727 591 HD3 PRO 78 2HD PRO 78 5.391 -7.370 -14.258 592 H ASP 79 H ASP 79 6.733 -6.607 -17.956 593 HA ASP 79 HA ASP 79 7.978 -7.744 -20.314 594 HB2 ASP 79 1HB ASP 79 5.780 -7.192 -21.612 595 HB3 ASP 79 2HB ASP 79 5.923 -8.729 -20.763 596 H GLU 80 H GLU 80 8.378 -6.215 -21.957 597 HA GLU 80 HA GLU 80 8.145 -3.432 -21.038 598 HB2 GLU 80 1HB GLU 80 10.065 -2.933 -22.418 599 HB3 GLU 80 2HB GLU 80 10.438 -4.307 -21.387 600 HG2 GLU 80 1HG GLU 80 9.736 -5.737 -23.409 601 HG3 GLU 80 2HG GLU 80 9.932 -4.248 -24.332 602 H ASN 81 H ASN 81 5.891 -4.540 -22.193 603 HA ASN 81 HA ASN 81 5.543 -2.783 -24.458 604 HB2 ASN 81 1HB ASN 81 4.964 -5.725 -24.836 605 HB3 ASN 81 2HB ASN 81 4.849 -4.446 -26.042 606 HD21 ASN 81 1HD2 ASN 81 6.722 -3.619 -26.961 607 HD22 ASN 81 2HD2 ASN 81 8.239 -4.439 -26.848 608 H GLU 82 H GLU 82 3.352 -2.372 -24.948 609 HA GLU 82 HA GLU 82 1.451 -3.405 -22.946 610 HB2 GLU 82 1HB GLU 82 0.390 -1.285 -22.834 611 HB3 GLU 82 2HB GLU 82 2.116 -0.980 -22.694 612 HG2 GLU 82 1HG GLU 82 0.799 -0.833 -25.365 613 HG3 GLU 82 2HG GLU 82 0.646 0.507 -24.231 614 H SER 83 H SER 83 -0.901 -2.948 -23.729 615 HA SER 83 HA SER 83 -1.156 -4.277 -26.296 616 HB2 SER 83 1HB SER 83 -3.107 -3.595 -24.100 617 HB3 SER 83 2HB SER 83 -3.641 -4.231 -25.655 618 HG SER 83 HG SER 83 -3.082 -5.722 -23.760 619 H GLY 84 H GLY 84 -2.432 -1.318 -24.770 620 HA2 GLY 84 1HA GLY 84 -2.156 0.715 -26.228 621 HA3 GLY 84 2HA GLY 84 -2.904 -0.256 -27.486 622 HA PRO 85 HA PRO 85 -6.028 2.001 -24.609 623 HB2 PRO 85 1HB PRO 85 -6.355 4.336 -25.955 624 HB3 PRO 85 2HB PRO 85 -5.181 4.137 -24.649 625 HG2 PRO 85 1HG PRO 85 -4.753 4.053 -27.611 626 HG3 PRO 85 2HG PRO 85 -3.770 4.836 -26.360 627 HD2 PRO 85 1HD PRO 85 -3.107 2.448 -27.450 628 HD3 PRO 85 2HD PRO 85 -2.729 2.867 -25.767 629 H SER 86 H SER 86 -8.141 1.678 -25.037 630 HA SER 86 HA SER 86 -9.019 1.607 -27.840 631 HB2 SER 86 1HB SER 86 -10.366 -0.429 -27.324 632 HB3 SER 86 2HB SER 86 -8.627 -0.707 -27.227 633 HG SER 86 HG SER 86 -9.979 0.055 -24.902 634 H SER 87 H SER 87 -11.308 1.883 -28.137 635 HA SER 87 HA SER 87 -12.939 2.649 -25.884 636 HB2 SER 87 1HB SER 87 -11.494 4.685 -26.539 637 HB3 SER 87 2HB SER 87 -12.499 4.762 -27.986 638 HG SER 87 HG SER 87 -13.047 5.685 -25.563 639 H GLY 88 H GLY 88 -15.099 3.641 -26.815 640 HA2 GLY 88 1HA GLY 88 -15.781 2.355 -29.367 641 HA3 GLY 88 2HA GLY 88 -16.704 1.929 -27.934 Start of MODEL 10 1 H1 GLY 1 H GLY 1 27.637 -39.062 5.544 2 HA2 GLY 1 1HA GLY 1 27.844 -36.330 6.140 3 HA3 GLY 1 2HA GLY 1 28.366 -36.562 4.478 4 H SER 2 H SER 2 26.142 -35.017 5.189 5 HA SER 2 HA SER 2 24.103 -36.372 3.643 6 HB2 SER 2 1HB SER 2 22.321 -35.900 5.336 7 HB3 SER 2 2HB SER 2 23.482 -37.121 5.857 8 HG SER 2 HG SER 2 23.321 -35.773 7.559 9 H SER 3 H SER 3 22.341 -34.918 3.020 10 HA SER 3 HA SER 3 22.590 -32.104 3.524 11 HB2 SER 3 1HB SER 3 24.349 -32.827 1.691 12 HB3 SER 3 2HB SER 3 22.937 -32.804 0.635 13 HG SER 3 HG SER 3 24.370 -30.740 1.582 14 H GLY 4 H GLY 4 21.006 -30.849 2.113 15 HA2 GLY 4 1HA GLY 4 18.601 -32.520 1.746 16 HA3 GLY 4 2HA GLY 4 18.579 -30.828 2.220 17 H SER 5 H SER 5 17.076 -30.511 0.469 18 HA SER 5 HA SER 5 18.467 -29.922 -2.022 19 HB2 SER 5 1HB SER 5 16.250 -31.912 -1.741 20 HB3 SER 5 2HB SER 5 16.330 -30.927 -3.201 21 HG SER 5 HG SER 5 18.215 -31.846 -3.742 22 H SER 6 H SER 6 17.085 -28.616 -3.508 23 HA SER 6 HA SER 6 15.875 -26.484 -2.056 24 HB2 SER 6 1HB SER 6 15.843 -26.984 -5.042 25 HB3 SER 6 2HB SER 6 15.522 -25.451 -4.232 26 HG SER 6 HG SER 6 17.727 -25.841 -5.103 27 H GLY 7 H GLY 7 13.715 -25.739 -2.169 28 HA2 GLY 7 1HA GLY 7 11.785 -27.923 -2.572 29 HA3 GLY 7 2HA GLY 7 11.534 -26.515 -1.550 30 HA PRO 8 HA PRO 8 9.312 -25.902 -5.601 31 HB2 PRO 8 1HB PRO 8 6.919 -25.273 -4.484 32 HB3 PRO 8 2HB PRO 8 7.404 -26.934 -4.843 33 HG2 PRO 8 1HG PRO 8 7.483 -25.458 -2.240 34 HG3 PRO 8 2HG PRO 8 6.965 -27.122 -2.567 35 HD2 PRO 8 1HD PRO 8 9.404 -26.527 -1.551 36 HD3 PRO 8 2HD PRO 8 9.128 -27.917 -2.621 37 H LEU 9 H LEU 9 8.294 -23.915 -6.380 38 HA LEU 9 HA LEU 9 8.822 -21.559 -4.708 39 HB2 LEU 9 1HB LEU 9 9.938 -20.414 -6.429 40 HB3 LEU 9 2HB LEU 9 10.670 -22.016 -6.364 41 HG LEU 9 HG LEU 9 9.045 -22.580 -8.297 42 HD11 LEU 9 1HD1 LEU 9 8.750 -19.647 -8.036 43 HD12 LEU 9 2HD1 LEU 9 7.604 -20.859 -8.606 44 HD13 LEU 9 3HD1 LEU 9 8.897 -20.301 -9.667 45 HD21 LEU 9 1HD2 LEU 9 10.705 -21.270 -9.877 46 HD22 LEU 9 2HD2 LEU 9 11.239 -22.654 -8.923 47 HD23 LEU 9 3HD2 LEU 9 11.571 -21.015 -8.362 48 HA PRO 10 HA PRO 10 4.831 -20.226 -5.977 49 HB2 PRO 10 1HB PRO 10 5.128 -17.537 -5.746 50 HB3 PRO 10 2HB PRO 10 5.002 -18.613 -4.349 51 HG2 PRO 10 1HG PRO 10 7.442 -17.417 -5.606 52 HG3 PRO 10 2HG PRO 10 7.037 -17.586 -3.888 53 HD2 PRO 10 1HD PRO 10 8.732 -19.273 -5.157 54 HD3 PRO 10 2HD PRO 10 7.685 -19.796 -3.822 55 H SER 11 H SER 11 4.048 -20.217 -7.980 56 HA SER 11 HA SER 11 5.209 -18.386 -9.957 57 HB2 SER 11 1HB SER 11 6.087 -20.752 -10.250 58 HB3 SER 11 2HB SER 11 4.435 -21.224 -10.650 59 HG SER 11 HG SER 11 5.711 -20.708 -12.505 60 H THR 12 H THR 12 3.779 -17.759 -11.642 61 HA THR 12 HA THR 12 1.750 -16.827 -12.203 62 HB THR 12 HB THR 12 0.324 -18.353 -13.220 63 HG1 THR 12 1HG THR 12 1.014 -20.076 -11.077 64 HG21 THR 12 1HG2 THR 12 1.700 -20.058 -14.224 65 HG22 THR 12 2HG2 THR 12 2.850 -19.973 -12.889 66 HG23 THR 12 3HG2 THR 12 2.678 -18.610 -13.994 67 H GLN 13 H GLN 13 2.154 -16.652 -9.426 68 HA GLN 13 HA GLN 13 -0.603 -16.986 -8.443 69 HB2 GLN 13 1HB GLN 13 1.036 -18.514 -7.338 70 HB3 GLN 13 2HB GLN 13 1.908 -17.098 -6.766 71 HG2 GLN 13 1HG GLN 13 -0.101 -16.385 -5.538 72 HG3 GLN 13 2HG GLN 13 -0.919 -17.854 -6.067 73 HE21 GLN 13 1HE2 GLN 13 -0.922 -19.428 -4.646 74 HE22 GLN 13 2HE2 GLN 13 0.266 -19.706 -3.423 75 H ASN 14 H ASN 14 -1.388 -14.966 -8.752 76 HA ASN 14 HA ASN 14 -0.213 -12.546 -8.754 77 HB2 ASN 14 1HB ASN 14 -2.869 -13.288 -7.521 78 HB3 ASN 14 2HB ASN 14 -2.357 -11.624 -7.782 79 HD21 ASN 14 1HD2 ASN 14 -4.608 -13.092 -8.909 80 HD22 ASN 14 2HD2 ASN 14 -4.418 -13.014 -10.624 81 H GLY 15 H GLY 15 1.218 -11.644 -7.433 82 HA2 GLY 15 1HA GLY 15 1.304 -12.373 -4.625 83 HA3 GLY 15 2HA GLY 15 2.461 -11.362 -5.479 84 HA PRO 16 HA PRO 16 0.033 -8.578 -2.727 85 HB2 PRO 16 1HB PRO 16 2.172 -7.070 -2.005 86 HB3 PRO 16 2HB PRO 16 1.736 -8.573 -1.184 87 HG2 PRO 16 1HG PRO 16 3.815 -8.095 -3.285 88 HG3 PRO 16 2HG PRO 16 3.921 -9.070 -1.808 89 HD2 PRO 16 1HD PRO 16 3.493 -10.164 -4.247 90 HD3 PRO 16 2HD PRO 16 2.820 -10.859 -2.758 91 H VAL 17 H VAL 17 -0.616 -6.461 -3.107 92 HA VAL 17 HA VAL 17 0.006 -5.441 -5.754 93 HB VAL 17 HB VAL 17 -1.897 -4.235 -3.750 94 HG11 VAL 17 1HG1 VAL 17 -2.398 -4.129 -6.653 95 HG12 VAL 17 2HG1 VAL 17 -2.623 -2.893 -5.414 96 HG13 VAL 17 3HG1 VAL 17 -1.016 -3.199 -6.074 97 HG21 VAL 17 1HG2 VAL 17 -3.408 -5.634 -5.601 98 HG22 VAL 17 2HG2 VAL 17 -2.093 -6.740 -5.202 99 HG23 VAL 17 3HG2 VAL 17 -3.120 -6.093 -3.922 100 H PHE 18 H PHE 18 1.315 -3.783 -6.179 101 HA PHE 18 HA PHE 18 2.343 -2.221 -3.905 102 HB2 PHE 18 1HB PHE 18 3.631 -2.812 -6.579 103 HB3 PHE 18 2HB PHE 18 4.333 -1.797 -5.323 104 HD1 PHE 18 1HD PHE 18 4.453 -2.988 -2.943 105 HD2 PHE 18 2HD PHE 18 4.331 -4.988 -6.698 106 HE1 PHE 18 1HE PHE 18 5.487 -4.971 -1.917 107 HE2 PHE 18 2HE PHE 18 5.365 -6.974 -5.678 108 HZ PHE 18 HZ PHE 18 5.943 -6.968 -3.285 109 H ALA 19 H ALA 19 1.754 -0.166 -3.793 110 HA ALA 19 HA ALA 19 1.024 1.233 -6.283 111 HB1 ALA 19 1HB ALA 19 -0.764 2.356 -5.176 112 HB2 ALA 19 2HB ALA 19 -0.946 0.630 -4.861 113 HB3 ALA 19 3HB ALA 19 -0.292 1.691 -3.613 114 H LYS 20 H LYS 20 2.210 2.976 -6.673 115 HA LYS 20 HA LYS 20 4.021 3.982 -4.656 116 HB2 LYS 20 1HB LYS 20 4.744 3.678 -7.002 117 HB3 LYS 20 2HB LYS 20 3.583 4.899 -7.505 118 HG2 LYS 20 1HG LYS 20 4.822 6.626 -6.669 119 HG3 LYS 20 2HG LYS 20 5.588 5.624 -5.433 120 HD2 LYS 20 1HD LYS 20 7.254 6.165 -7.052 121 HD3 LYS 20 2HD LYS 20 6.834 4.465 -7.275 122 HE2 LYS 20 1HE LYS 20 5.759 4.854 -9.268 123 HE3 LYS 20 2HE LYS 20 5.377 6.526 -8.859 124 HZ1 LYS 20 1HZ LYS 20 7.033 6.876 -10.343 125 HZ2 LYS 20 2HZ LYS 20 7.809 5.407 -10.023 126 HZ3 LYS 20 3HZ LYS 20 7.994 6.709 -8.960 127 H ALA 21 H ALA 21 4.075 6.085 -3.847 128 HA ALA 21 HA ALA 21 1.487 7.344 -3.609 129 HB1 ALA 21 1HB ALA 21 4.160 7.791 -2.333 130 HB2 ALA 21 2HB ALA 21 2.856 8.963 -2.145 131 HB3 ALA 21 3HB ALA 21 2.637 7.304 -1.588 132 H ILE 22 H ILE 22 0.766 8.834 -4.968 133 HA ILE 22 HA ILE 22 2.614 10.207 -6.745 134 HB ILE 22 HB ILE 22 0.475 11.156 -7.729 135 HG12 ILE 22 1HG1 ILE 22 -0.960 8.948 -6.309 136 HG13 ILE 22 2HG1 ILE 22 -0.747 10.490 -5.487 137 HG21 ILE 22 1HG2 ILE 22 1.358 9.479 -9.016 138 HG22 ILE 22 2HG2 ILE 22 1.266 8.287 -7.721 139 HG23 ILE 22 3HG2 ILE 22 -0.195 8.763 -8.587 140 HD11 ILE 22 1HD1 ILE 22 -2.882 10.457 -6.565 141 HD12 ILE 22 2HD1 ILE 22 -1.839 11.604 -7.406 142 HD13 ILE 22 3HD1 ILE 22 -2.146 10.014 -8.105 143 H GLN 23 H GLN 23 0.633 10.859 -3.962 144 HA GLN 23 HA GLN 23 1.380 13.705 -4.122 145 HB2 GLN 23 1HB GLN 23 -1.085 12.332 -3.158 146 HB3 GLN 23 2HB GLN 23 -0.591 13.811 -2.346 147 HG2 GLN 23 1HG GLN 23 -1.355 13.433 -5.222 148 HG3 GLN 23 2HG GLN 23 -2.119 14.457 -4.007 149 HE21 GLN 23 1HE2 GLN 23 -0.681 14.817 -6.720 150 HE22 GLN 23 2HE2 GLN 23 0.345 16.177 -6.435 151 H LYS 24 H LYS 24 1.173 14.647 -1.712 152 HA LYS 24 HA LYS 24 3.044 13.034 -0.124 153 HB2 LYS 24 1HB LYS 24 3.857 15.249 -0.755 154 HB3 LYS 24 2HB LYS 24 2.437 15.996 -0.033 155 HG2 LYS 24 1HG LYS 24 3.149 15.544 2.135 156 HG3 LYS 24 2HG LYS 24 4.288 14.305 1.604 157 HD2 LYS 24 1HD LYS 24 5.619 16.084 0.492 158 HD3 LYS 24 2HD LYS 24 4.522 17.283 1.181 159 HE2 LYS 24 1HE LYS 24 5.871 15.296 2.960 160 HE3 LYS 24 2HE LYS 24 6.760 16.707 2.390 161 HZ1 LYS 24 1HZ LYS 24 5.241 16.675 4.589 162 HZ2 LYS 24 2HZ LYS 24 4.129 17.264 3.460 163 HZ3 LYS 24 3HZ LYS 24 5.593 18.075 3.707 164 H ARG 25 H ARG 25 2.105 11.883 1.426 165 HA ARG 25 HA ARG 25 -0.371 12.821 2.649 166 HB2 ARG 25 1HB ARG 25 -0.460 10.537 2.028 167 HB3 ARG 25 2HB ARG 25 1.120 10.206 2.725 168 HG2 ARG 25 1HG ARG 25 -0.634 9.268 4.102 169 HG3 ARG 25 2HG ARG 25 0.202 10.560 4.966 170 HD2 ARG 25 1HD ARG 25 -2.190 10.739 5.307 171 HD3 ARG 25 2HD ARG 25 -1.607 12.110 4.365 172 HE ARG 25 HE ARG 25 -2.503 10.041 2.654 173 HH11 ARG 25 2HH1 ARG 25 -3.667 12.528 4.795 174 HH12 ARG 25 1HH1 ARG 25 -5.175 12.720 3.963 175 HH21 ARG 25 2HH2 ARG 25 -4.484 10.285 1.550 176 HH22 ARG 25 1HH2 ARG 25 -5.639 11.443 2.118 177 H VAL 26 H VAL 26 -0.360 13.933 4.478 178 HA VAL 26 HA VAL 26 1.882 13.546 6.354 179 HB VAL 26 HB VAL 26 0.423 16.135 5.803 180 HG11 VAL 26 1HG1 VAL 26 2.887 15.805 7.482 181 HG12 VAL 26 2HG1 VAL 26 1.755 17.158 7.425 182 HG13 VAL 26 3HG1 VAL 26 1.274 15.635 8.173 183 HG21 VAL 26 1HG2 VAL 26 1.874 16.429 4.147 184 HG22 VAL 26 2HG2 VAL 26 3.178 16.397 5.333 185 HG23 VAL 26 3HG2 VAL 26 2.682 14.909 4.528 186 HA PRO 27 HA PRO 27 -1.866 12.412 8.695 187 HB2 PRO 27 1HB PRO 27 -0.546 10.764 10.401 188 HB3 PRO 27 2HB PRO 27 -1.087 10.253 8.797 189 HG2 PRO 27 1HG PRO 27 1.631 11.138 9.687 190 HG3 PRO 27 2HG PRO 27 1.185 9.789 8.625 191 HD2 PRO 27 1HD PRO 27 2.095 12.154 7.672 192 HD3 PRO 27 2HD PRO 27 0.921 11.157 6.789 193 H CYS 28 H CYS 28 -2.477 12.807 10.889 194 HA CYS 28 HA CYS 28 -1.161 15.087 12.028 195 HB2 CYS 28 1HB CYS 28 -3.630 13.517 12.653 196 HB3 CYS 28 2HB CYS 28 -2.976 14.600 13.875 197 HG CYS 28 HG CYS 28 -2.948 16.576 11.492 198 H ALA 29 H ALA 29 -0.347 15.243 14.182 199 HA ALA 29 HA ALA 29 1.476 13.254 14.888 200 HB1 ALA 29 1HB ALA 29 0.327 15.422 16.642 201 HB2 ALA 29 2HB ALA 29 1.802 14.507 16.957 202 HB3 ALA 29 3HB ALA 29 1.715 15.588 15.566 203 H TYR 30 H TYR 30 -1.737 13.969 16.206 204 HA TYR 30 HA TYR 30 -1.647 11.948 18.205 205 HB2 TYR 30 1HB TYR 30 -4.211 12.991 17.043 206 HB3 TYR 30 2HB TYR 30 -3.850 12.540 18.706 207 HD1 TYR 30 1HD TYR 30 -3.416 15.151 16.142 208 HD2 TYR 30 2HD TYR 30 -2.890 14.113 20.235 209 HE1 TYR 30 1HE TYR 30 -2.970 17.510 16.677 210 HE2 TYR 30 2HE TYR 30 -2.443 16.469 20.781 211 HH TYR 30 HH TYR 30 -1.759 18.499 19.751 212 H ASP 31 H ASP 31 -2.792 12.070 14.884 213 HA ASP 31 HA ASP 31 -4.150 9.588 14.889 214 HB2 ASP 31 1HB ASP 31 -3.143 11.465 12.808 215 HB3 ASP 31 2HB ASP 31 -3.522 9.820 12.307 216 H LYS 32 H LYS 32 -3.420 7.564 14.787 217 HA LYS 32 HA LYS 32 -0.557 7.156 14.219 218 HB2 LYS 32 1HB LYS 32 -2.400 5.510 15.963 219 HB3 LYS 32 2HB LYS 32 -0.710 5.144 15.642 220 HG2 LYS 32 1HG LYS 32 -1.565 7.735 16.888 221 HG3 LYS 32 2HG LYS 32 -1.262 6.282 17.844 222 HD2 LYS 32 1HD LYS 32 1.014 6.169 16.891 223 HD3 LYS 32 2HD LYS 32 0.700 7.672 16.020 224 HE2 LYS 32 1HE LYS 32 1.734 8.521 17.866 225 HE3 LYS 32 2HE LYS 32 0.069 8.519 18.446 226 HZ1 LYS 32 1HZ LYS 32 1.213 6.013 18.975 227 HZ2 LYS 32 2HZ LYS 32 0.665 7.172 20.078 228 HZ3 LYS 32 3HZ LYS 32 2.270 7.205 19.544 229 H THR 33 H THR 33 -3.818 5.925 13.714 230 HA THR 33 HA THR 33 -3.103 3.668 12.168 231 HB THR 33 HB THR 33 -5.474 3.781 11.332 232 HG1 THR 33 1HG THR 33 -5.591 6.139 11.596 233 HG21 THR 33 1HG2 THR 33 -6.445 3.609 13.750 234 HG22 THR 33 2HG2 THR 33 -4.756 3.755 14.236 235 HG23 THR 33 3HG2 THR 33 -5.264 2.425 13.195 236 H ALA 34 H ALA 34 -3.249 7.029 11.453 237 HA ALA 34 HA ALA 34 -3.557 6.741 8.610 238 HB1 ALA 34 1HB ALA 34 -2.493 9.175 10.010 239 HB2 ALA 34 2HB ALA 34 -3.380 9.078 8.488 240 HB3 ALA 34 3HB ALA 34 -4.209 8.766 10.014 241 H LEU 35 H LEU 35 -1.993 5.742 7.503 242 HA LEU 35 HA LEU 35 0.732 5.687 8.286 243 HB2 LEU 35 1HB LEU 35 -0.701 4.118 6.722 244 HB3 LEU 35 2HB LEU 35 -0.073 5.182 5.465 245 HG LEU 35 HG LEU 35 1.630 3.592 7.382 246 HD11 LEU 35 1HD1 LEU 35 1.903 1.966 5.769 247 HD12 LEU 35 2HD1 LEU 35 1.358 3.018 4.463 248 HD13 LEU 35 3HD1 LEU 35 0.191 2.357 5.608 249 HD21 LEU 35 1HD2 LEU 35 2.251 5.347 5.020 250 HD22 LEU 35 2HD2 LEU 35 3.388 4.155 5.650 251 HD23 LEU 35 3HD2 LEU 35 2.848 5.487 6.673 252 H ALA 36 H ALA 36 2.403 6.973 7.772 253 HA ALA 36 HA ALA 36 1.826 9.375 6.207 254 HB1 ALA 36 1HB ALA 36 3.170 10.452 7.617 255 HB2 ALA 36 2HB ALA 36 3.194 8.975 8.582 256 HB3 ALA 36 3HB ALA 36 4.465 9.274 7.397 257 H LEU 37 H LEU 37 2.700 9.778 4.265 258 HA LEU 37 HA LEU 37 5.000 8.210 3.366 259 HB2 LEU 37 1HB LEU 37 2.464 8.511 1.765 260 HB3 LEU 37 2HB LEU 37 3.940 7.707 1.235 261 HG LEU 37 HG LEU 37 2.276 6.765 3.564 262 HD11 LEU 37 1HD1 LEU 37 0.823 6.516 1.754 263 HD12 LEU 37 2HD1 LEU 37 1.621 4.949 1.885 264 HD13 LEU 37 3HD1 LEU 37 2.127 6.096 0.644 265 HD21 LEU 37 1HD2 LEU 37 4.085 5.518 3.928 266 HD22 LEU 37 2HD2 LEU 37 4.817 5.992 2.395 267 HD23 LEU 37 3HD2 LEU 37 3.668 4.655 2.448 268 H GLU 38 H GLU 38 5.910 9.077 1.302 269 HA GLU 38 HA GLU 38 5.360 11.945 0.964 270 HB2 GLU 38 1HB GLU 38 7.680 12.488 0.942 271 HB3 GLU 38 2HB GLU 38 7.392 11.533 2.390 272 HG2 GLU 38 1HG GLU 38 8.111 9.540 0.864 273 HG3 GLU 38 2HG GLU 38 8.866 10.813 -0.095 274 H VAL 39 H VAL 39 5.469 12.717 -1.100 275 HA VAL 39 HA VAL 39 4.887 11.207 -3.260 276 HB VAL 39 HB VAL 39 6.646 13.662 -3.358 277 HG11 VAL 39 1HG1 VAL 39 6.681 12.577 -5.480 278 HG12 VAL 39 2HG1 VAL 39 4.936 12.315 -5.440 279 HG13 VAL 39 3HG1 VAL 39 5.580 13.949 -5.606 280 HG21 VAL 39 1HG2 VAL 39 4.100 13.446 -2.312 281 HG22 VAL 39 2HG2 VAL 39 4.872 14.928 -2.876 282 HG23 VAL 39 3HG2 VAL 39 3.826 14.012 -3.960 283 H GLY 40 H GLY 40 5.872 9.417 -3.951 284 HA2 GLY 40 1HA GLY 40 7.634 8.549 -5.360 285 HA3 GLY 40 2HA GLY 40 8.766 9.574 -4.491 286 H ASP 41 H ASP 41 6.269 7.528 -3.069 287 HA ASP 41 HA ASP 41 8.387 5.790 -1.992 288 HB2 ASP 41 1HB ASP 41 7.322 7.561 -0.386 289 HB3 ASP 41 2HB ASP 41 5.958 6.447 -0.360 290 H ILE 42 H ILE 42 7.909 3.628 -1.815 291 HA ILE 42 HA ILE 42 5.543 2.751 -3.282 292 HB ILE 42 HB ILE 42 7.828 1.052 -2.284 293 HG12 ILE 42 1HG1 ILE 42 8.652 2.819 -3.792 294 HG13 ILE 42 2HG1 ILE 42 8.768 1.228 -4.536 295 HG21 ILE 42 1HG2 ILE 42 6.658 -0.659 -3.072 296 HG22 ILE 42 2HG2 ILE 42 5.338 0.436 -3.479 297 HG23 ILE 42 3HG2 ILE 42 6.599 0.096 -4.664 298 HD11 ILE 42 1HD1 ILE 42 6.366 1.971 -5.450 299 HD12 ILE 42 2HD1 ILE 42 7.126 3.554 -5.279 300 HD13 ILE 42 3HD1 ILE 42 7.878 2.318 -6.288 301 H VAL 43 H VAL 43 3.881 1.654 -2.401 302 HA VAL 43 HA VAL 43 4.026 1.083 0.487 303 HB VAL 43 HB VAL 43 1.513 1.582 -1.106 304 HG11 VAL 43 1HG1 VAL 43 0.639 2.053 1.236 305 HG12 VAL 43 2HG1 VAL 43 0.987 0.368 0.841 306 HG13 VAL 43 3HG1 VAL 43 2.120 1.297 1.823 307 HG21 VAL 43 1HG2 VAL 43 3.247 3.516 -0.880 308 HG22 VAL 43 2HG2 VAL 43 1.542 3.822 -0.550 309 HG23 VAL 43 3HG2 VAL 43 2.670 3.584 0.785 310 H LYS 44 H LYS 44 4.051 -0.992 1.008 311 HA LYS 44 HA LYS 44 3.107 -2.969 -0.935 312 HB2 LYS 44 1HB LYS 44 5.341 -3.371 -0.161 313 HB3 LYS 44 2HB LYS 44 4.851 -3.201 1.519 314 HG2 LYS 44 1HG LYS 44 3.355 -5.226 1.109 315 HG3 LYS 44 2HG LYS 44 4.284 -5.455 -0.374 316 HD2 LYS 44 1HD LYS 44 6.353 -5.533 0.961 317 HD3 LYS 44 2HD LYS 44 5.392 -5.364 2.433 318 HE2 LYS 44 1HE LYS 44 4.243 -7.458 1.929 319 HE3 LYS 44 2HE LYS 44 5.174 -7.620 0.441 320 HZ1 LYS 44 1HZ LYS 44 5.861 -8.582 2.916 321 HZ2 LYS 44 2HZ LYS 44 6.872 -7.245 2.693 322 HZ3 LYS 44 3HZ LYS 44 6.862 -8.496 1.556 323 H VAL 45 H VAL 45 1.017 -3.452 -0.721 324 HA VAL 45 HA VAL 45 -0.113 -3.685 1.985 325 HB VAL 45 HB VAL 45 -1.443 -2.161 0.818 326 HG11 VAL 45 1HG1 VAL 45 -0.883 -3.898 -1.529 327 HG12 VAL 45 2HG1 VAL 45 -2.371 -2.950 -1.523 328 HG13 VAL 45 3HG1 VAL 45 -0.809 -2.143 -1.379 329 HG21 VAL 45 1HG2 VAL 45 -2.783 -3.882 1.897 330 HG22 VAL 45 2HG2 VAL 45 -3.579 -3.306 0.432 331 HG23 VAL 45 3HG2 VAL 45 -2.740 -4.857 0.428 332 H THR 46 H THR 46 -0.623 -5.625 2.755 333 HA THR 46 HA THR 46 -0.556 -7.916 0.921 334 HB THR 46 HB THR 46 -0.197 -9.315 2.874 335 HG1 THR 46 1HG THR 46 -0.659 -8.614 4.818 336 HG21 THR 46 1HG2 THR 46 1.638 -6.973 3.264 337 HG22 THR 46 2HG2 THR 46 1.693 -7.932 1.785 338 HG23 THR 46 3HG2 THR 46 2.004 -8.696 3.343 339 H ARG 47 H ARG 47 -2.656 -6.075 2.930 340 HA ARG 47 HA ARG 47 -4.828 -7.976 2.364 341 HB2 ARG 47 1HB ARG 47 -4.207 -8.170 4.729 342 HB3 ARG 47 2HB ARG 47 -4.429 -6.438 4.936 343 HG2 ARG 47 1HG ARG 47 -6.368 -7.433 5.801 344 HG3 ARG 47 2HG ARG 47 -6.830 -6.799 4.220 345 HD2 ARG 47 1HD ARG 47 -7.765 -8.982 4.419 346 HD3 ARG 47 2HD ARG 47 -6.422 -9.081 3.280 347 HE ARG 47 HE ARG 47 -5.686 -9.710 5.985 348 HH11 ARG 47 2HH1 ARG 47 -6.991 -10.964 3.011 349 HH12 ARG 47 1HH1 ARG 47 -6.521 -12.598 3.341 350 HH21 ARG 47 2HH2 ARG 47 -5.062 -11.858 6.431 351 HH22 ARG 47 1HH2 ARG 47 -5.425 -13.106 5.288 352 H MET 48 H MET 48 -5.217 -6.579 0.527 353 HA MET 48 HA MET 48 -5.963 -3.840 0.946 354 HB2 MET 48 1HB MET 48 -5.037 -5.062 -1.204 355 HB3 MET 48 2HB MET 48 -6.745 -5.345 -1.514 356 HG2 MET 48 1HG MET 48 -7.139 -2.915 -1.355 357 HG3 MET 48 2HG MET 48 -5.405 -2.676 -1.154 358 HE1 MET 48 1HE MET 48 -4.619 -1.386 -2.868 359 HE2 MET 48 2HE MET 48 -3.635 -2.776 -3.327 360 HE3 MET 48 3HE MET 48 -4.476 -1.842 -4.566 361 H ASN 49 H ASN 49 -7.739 -3.470 2.133 362 HA ASN 49 HA ASN 49 -10.002 -5.200 2.170 363 HB2 ASN 49 1HB ASN 49 -9.867 -2.332 3.119 364 HB3 ASN 49 2HB ASN 49 -11.011 -3.569 3.632 365 HD21 ASN 49 1HD2 ASN 49 -8.816 -1.887 4.946 366 HD22 ASN 49 2HD2 ASN 49 -7.943 -3.039 5.893 367 H ILE 50 H ILE 50 -12.089 -4.831 1.362 368 HA ILE 50 HA ILE 50 -12.177 -3.652 -1.226 369 HB ILE 50 HB ILE 50 -14.450 -4.641 0.501 370 HG12 ILE 50 1HG1 ILE 50 -13.374 -6.136 -1.848 371 HG13 ILE 50 2HG1 ILE 50 -12.462 -6.185 -0.344 372 HG21 ILE 50 1HG2 ILE 50 -15.889 -4.191 -1.155 373 HG22 ILE 50 2HG2 ILE 50 -14.651 -3.071 -1.720 374 HG23 ILE 50 3HG2 ILE 50 -14.752 -4.691 -2.407 375 HD11 ILE 50 1HD1 ILE 50 -13.809 -7.755 0.423 376 HD12 ILE 50 2HD1 ILE 50 -15.192 -6.673 0.253 377 HD13 ILE 50 3HD1 ILE 50 -14.714 -7.711 -1.090 378 H ASN 51 H ASN 51 -13.649 -2.778 1.891 379 HA ASN 51 HA ASN 51 -15.221 -0.688 1.353 380 HB2 ASN 51 1HB ASN 51 -14.884 0.065 3.509 381 HB3 ASN 51 2HB ASN 51 -14.228 -1.565 3.631 382 HD21 ASN 51 1HD2 ASN 51 -13.622 1.729 4.008 383 HD22 ASN 51 2HD2 ASN 51 -11.925 1.635 4.320 384 H GLY 52 H GLY 52 -11.682 -0.337 1.671 385 HA2 GLY 52 1HA GLY 52 -11.164 1.195 -0.519 386 HA3 GLY 52 2HA GLY 52 -11.750 2.358 0.661 387 H GLN 53 H GLN 53 -10.675 1.703 2.979 388 HA GLN 53 HA GLN 53 -7.931 2.401 2.653 389 HB2 GLN 53 1HB GLN 53 -9.705 1.831 4.998 390 HB3 GLN 53 2HB GLN 53 -7.966 1.943 5.229 391 HG2 GLN 53 1HG GLN 53 -8.523 4.099 5.631 392 HG3 GLN 53 2HG GLN 53 -8.295 4.193 3.886 393 HE21 GLN 53 1HE2 GLN 53 -9.943 4.833 2.650 394 HE22 GLN 53 2HE2 GLN 53 -11.552 5.117 3.210 395 H TRP 54 H TRP 54 -6.186 1.140 2.561 396 HA TRP 54 HA TRP 54 -6.548 -1.740 3.039 397 HB2 TRP 54 1HB TRP 54 -4.250 -0.560 1.502 398 HB3 TRP 54 2HB TRP 54 -4.927 -2.183 1.406 399 HD1 TRP 54 HD TRP 54 -7.990 -1.328 0.956 400 HE1 TRP 54 1HE TRP 54 -8.684 -0.355 -1.324 401 HE3 TRP 54 3HE TRP 54 -3.404 0.211 -0.701 402 HZ2 TRP 54 2HZ TRP 54 -7.451 0.898 -3.533 403 HZ3 TRP 54 3HZ TRP 54 -3.248 1.287 -2.908 404 HH2 TRP 54 HH TRP 54 -5.230 1.622 -4.294 405 H GLU 55 H GLU 55 -4.336 -2.822 3.596 406 HA GLU 55 HA GLU 55 -3.076 -1.235 5.736 407 HB2 GLU 55 1HB GLU 55 -4.592 -3.270 6.330 408 HB3 GLU 55 2HB GLU 55 -3.216 -4.230 5.806 409 HG2 GLU 55 1HG GLU 55 -1.822 -2.939 7.447 410 HG3 GLU 55 2HG GLU 55 -3.324 -2.254 8.065 411 H GLY 56 H GLY 56 -1.169 -0.599 4.914 412 HA2 GLY 56 1HA GLY 56 0.595 -2.711 3.846 413 HA3 GLY 56 2HA GLY 56 0.477 -1.145 3.056 414 H GLU 57 H GLU 57 2.816 -2.462 4.211 415 HA GLU 57 HA GLU 57 3.445 -0.629 6.422 416 HB2 GLU 57 1HB GLU 57 3.729 -3.256 6.493 417 HB3 GLU 57 2HB GLU 57 5.237 -2.895 5.664 418 HG2 GLU 57 1HG GLU 57 5.538 -1.173 7.614 419 HG3 GLU 57 2HG GLU 57 4.390 -2.228 8.436 420 H VAL 58 H VAL 58 4.722 1.048 6.034 421 HA VAL 58 HA VAL 58 6.708 0.872 3.879 422 HB VAL 58 HB VAL 58 4.911 3.265 4.296 423 HG11 VAL 58 1HG1 VAL 58 5.999 4.266 2.469 424 HG12 VAL 58 2HG1 VAL 58 7.296 3.602 3.464 425 HG13 VAL 58 3HG1 VAL 58 6.784 2.758 2.002 426 HG21 VAL 58 1HG2 VAL 58 3.479 1.780 3.273 427 HG22 VAL 58 2HG2 VAL 58 4.231 2.546 1.874 428 HG23 VAL 58 3HG2 VAL 58 4.777 0.957 2.408 429 H ASN 59 H ASN 59 8.587 2.034 4.209 430 HA ASN 59 HA ASN 59 10.298 2.772 5.540 431 HB2 ASN 59 1HB ASN 59 9.945 5.015 6.430 432 HB3 ASN 59 2HB ASN 59 9.194 4.871 4.843 433 HD21 ASN 59 1HD2 ASN 59 7.044 5.159 4.636 434 HD22 ASN 59 2HD2 ASN 59 5.988 5.559 5.944 435 H GLY 60 H GLY 60 8.670 0.721 6.759 436 HA2 GLY 60 1HA GLY 60 8.664 -0.358 8.796 437 HA3 GLY 60 2HA GLY 60 9.616 0.970 9.444 438 H ARG 61 H ARG 61 6.478 1.329 7.903 439 HA ARG 61 HA ARG 61 5.150 1.629 10.475 440 HB2 ARG 61 1HB ARG 61 5.316 3.878 8.461 441 HB3 ARG 61 2HB ARG 61 4.268 3.866 9.873 442 HG2 ARG 61 1HG ARG 61 6.175 3.851 11.345 443 HG3 ARG 61 2HG ARG 61 7.272 3.716 9.970 444 HD2 ARG 61 1HD ARG 61 7.380 5.969 10.342 445 HD3 ARG 61 2HD ARG 61 6.037 5.911 9.202 446 HE ARG 61 HE ARG 61 5.914 6.581 12.013 447 HH11 ARG 61 2HH1 ARG 61 4.154 5.626 9.165 448 HH12 ARG 61 1HH1 ARG 61 2.634 6.224 9.745 449 HH21 ARG 61 2HH2 ARG 61 3.919 7.372 12.787 450 HH22 ARG 61 1HH2 ARG 61 2.502 7.217 11.805 451 H LYS 62 H LYS 62 3.292 0.578 10.332 452 HA LYS 62 HA LYS 62 2.028 0.282 7.696 453 HB2 LYS 62 1HB LYS 62 0.720 -1.554 8.964 454 HB3 LYS 62 2HB LYS 62 2.397 -1.863 8.532 455 HG2 LYS 62 1HG LYS 62 3.091 -1.281 10.800 456 HG3 LYS 62 2HG LYS 62 1.409 -0.969 11.234 457 HD2 LYS 62 1HD LYS 62 0.824 -3.229 11.056 458 HD3 LYS 62 2HD LYS 62 2.269 -3.621 10.120 459 HE2 LYS 62 1HE LYS 62 2.822 -4.464 12.190 460 HE3 LYS 62 2HE LYS 62 3.525 -2.850 12.272 461 HZ1 LYS 62 1HZ LYS 62 1.422 -3.997 13.836 462 HZ2 LYS 62 2HZ LYS 62 0.977 -2.507 13.170 463 HZ3 LYS 62 3HZ LYS 62 2.360 -2.622 14.137 464 H GLY 63 H GLY 63 0.226 1.372 7.274 465 HA2 GLY 63 1HA GLY 63 -1.709 1.891 9.382 466 HA3 GLY 63 2HA GLY 63 -0.960 3.315 8.675 467 H LEU 64 H LEU 64 -3.621 3.154 8.493 468 HA LEU 64 HA LEU 64 -4.408 1.899 6.009 469 HB2 LEU 64 1HB LEU 64 -5.850 3.604 8.021 470 HB3 LEU 64 2HB LEU 64 -6.596 3.091 6.508 471 HG LEU 64 HG LEU 64 -5.709 1.351 8.802 472 HD11 LEU 64 1HD1 LEU 64 -8.329 0.801 8.024 473 HD12 LEU 64 2HD1 LEU 64 -8.198 2.559 8.004 474 HD13 LEU 64 3HD1 LEU 64 -7.802 1.663 9.470 475 HD21 LEU 64 1HD2 LEU 64 -6.485 0.647 5.991 476 HD22 LEU 64 2HD2 LEU 64 -6.745 -0.474 7.328 477 HD23 LEU 64 3HD2 LEU 64 -5.113 0.074 6.941 478 H PHE 65 H PHE 65 -4.055 2.801 4.102 479 HA PHE 65 HA PHE 65 -4.056 5.742 3.916 480 HB2 PHE 65 1HB PHE 65 -2.453 5.495 2.031 481 HB3 PHE 65 2HB PHE 65 -1.807 4.912 3.562 482 HD1 PHE 65 1HD PHE 65 -1.674 2.468 3.988 483 HD2 PHE 65 2HD PHE 65 -2.711 4.058 0.178 484 HE1 PHE 65 1HE PHE 65 -1.161 0.299 2.947 485 HE2 PHE 65 2HE PHE 65 -2.200 1.891 -0.869 486 HZ PHE 65 HZ PHE 65 -1.424 0.007 0.515 487 HA PRO 66 HA PRO 66 -7.353 5.348 1.028 488 HB2 PRO 66 1HB PRO 66 -7.056 7.702 -0.292 489 HB3 PRO 66 2HB PRO 66 -7.703 7.596 1.350 490 HG2 PRO 66 1HG PRO 66 -4.934 8.289 0.446 491 HG3 PRO 66 2HG PRO 66 -5.922 9.048 1.708 492 HD2 PRO 66 1HD PRO 66 -3.954 7.274 2.267 493 HD3 PRO 66 2HD PRO 66 -5.421 7.415 3.256 494 H PHE 67 H PHE 67 -7.782 4.949 -1.165 495 HA PHE 67 HA PHE 67 -5.538 3.956 -2.657 496 HB2 PHE 67 1HB PHE 67 -7.186 3.163 -4.251 497 HB3 PHE 67 2HB PHE 67 -7.734 2.800 -2.618 498 HD1 PHE 67 1HD PHE 67 -9.586 4.055 -1.622 499 HD2 PHE 67 2HD PHE 67 -8.373 4.686 -5.653 500 HE1 PHE 67 1HE PHE 67 -11.714 5.204 -2.079 501 HE2 PHE 67 2HE PHE 67 -10.498 5.836 -6.116 502 HZ PHE 67 HZ PHE 67 -12.172 6.097 -4.328 503 H THR 68 H THR 68 -7.502 6.817 -2.671 504 HA THR 68 HA THR 68 -6.893 7.692 -5.303 505 HB THR 68 HB THR 68 -7.616 9.949 -4.460 506 HG1 THR 68 1HG THR 68 -7.468 10.163 -2.359 507 HG21 THR 68 1HG2 THR 68 -9.959 9.299 -4.112 508 HG22 THR 68 2HG2 THR 68 -9.454 7.628 -3.857 509 HG23 THR 68 3HG2 THR 68 -9.225 8.388 -5.431 510 H HIS 69 H HIS 69 -5.130 7.681 -2.363 511 HA HIS 69 HA HIS 69 -3.397 9.881 -2.995 512 HB2 HIS 69 1HB HIS 69 -3.478 9.544 -0.711 513 HB3 HIS 69 2HB HIS 69 -3.506 7.790 -0.863 514 HD1 HIS 69 1HD HIS 69 -0.970 10.492 -1.772 515 HD2 HIS 69 2HD HIS 69 -1.195 6.772 0.066 516 HE1 HIS 69 1HE HIS 69 1.383 9.943 -1.074 517 HE2 HIS 69 2HE HIS 69 1.236 7.651 -0.041 518 H VAL 70 H VAL 70 -3.112 6.342 -3.085 519 HA VAL 70 HA VAL 70 -0.624 6.631 -4.626 520 HB VAL 70 HB VAL 70 -0.173 4.292 -4.100 521 HG11 VAL 70 1HG1 VAL 70 -0.046 6.418 -2.357 522 HG12 VAL 70 2HG1 VAL 70 -0.808 5.152 -1.393 523 HG13 VAL 70 3HG1 VAL 70 0.757 4.862 -2.152 524 HG21 VAL 70 1HG2 VAL 70 -1.755 3.348 -2.221 525 HG22 VAL 70 2HG2 VAL 70 -2.932 4.417 -2.984 526 HG23 VAL 70 3HG2 VAL 70 -2.153 3.147 -3.928 527 H LYS 71 H LYS 71 -0.596 6.162 -6.725 528 HA LYS 71 HA LYS 71 -3.000 5.001 -7.926 529 HB2 LYS 71 1HB LYS 71 -1.850 7.206 -8.692 530 HB3 LYS 71 2HB LYS 71 -0.695 6.139 -9.478 531 HG2 LYS 71 1HG LYS 71 -2.265 5.320 -10.968 532 HG3 LYS 71 2HG LYS 71 -3.626 5.794 -9.949 533 HD2 LYS 71 1HD LYS 71 -3.681 7.367 -11.659 534 HD3 LYS 71 2HD LYS 71 -2.805 8.208 -10.378 535 HE2 LYS 71 1HE LYS 71 -0.773 8.015 -11.464 536 HE3 LYS 71 2HE LYS 71 -1.298 6.628 -12.417 537 HZ1 LYS 71 1HZ LYS 71 -2.968 8.532 -13.279 538 HZ2 LYS 71 2HZ LYS 71 -1.502 8.149 -14.031 539 HZ3 LYS 71 3HZ LYS 71 -1.587 9.455 -12.958 540 H ILE 72 H ILE 72 -3.033 3.040 -8.845 541 HA ILE 72 HA ILE 72 -0.930 1.209 -8.416 542 HB ILE 72 HB ILE 72 -3.229 0.904 -10.350 543 HG12 ILE 72 1HG1 ILE 72 -3.770 1.522 -7.899 544 HG13 ILE 72 2HG1 ILE 72 -4.576 0.122 -8.598 545 HG21 ILE 72 1HG2 ILE 72 -2.909 -1.479 -10.022 546 HG22 ILE 72 2HG2 ILE 72 -1.419 -0.737 -10.604 547 HG23 ILE 72 3HG2 ILE 72 -1.584 -1.167 -8.901 548 HD11 ILE 72 1HD1 ILE 72 -3.251 -1.378 -7.392 549 HD12 ILE 72 2HD1 ILE 72 -2.064 -0.137 -6.987 550 HD13 ILE 72 3HD1 ILE 72 -3.662 -0.105 -6.243 551 H PHE 73 H PHE 73 0.919 1.053 -9.481 552 HA PHE 73 HA PHE 73 0.948 1.695 -12.356 553 HB2 PHE 73 1HB PHE 73 2.900 2.903 -12.172 554 HB3 PHE 73 2HB PHE 73 2.162 3.274 -10.617 555 HD1 PHE 73 1HD PHE 73 2.862 1.862 -8.611 556 HD2 PHE 73 2HD PHE 73 5.012 1.944 -12.283 557 HE1 PHE 73 1HE PHE 73 4.856 0.997 -7.459 558 HE2 PHE 73 2HE PHE 73 7.010 1.079 -11.137 559 HZ PHE 73 HZ PHE 73 6.933 0.604 -8.722 560 H ASP 74 H ASP 74 3.315 0.851 -13.164 561 HA ASP 74 HA ASP 74 3.266 -2.023 -12.560 562 HB2 ASP 74 1HB ASP 74 4.043 -0.439 -14.987 563 HB3 ASP 74 2HB ASP 74 4.674 -2.067 -14.756 564 HA PRO 75 HA PRO 75 7.127 -0.852 -10.452 565 HB2 PRO 75 1HB PRO 75 7.111 -3.001 -8.792 566 HB3 PRO 75 2HB PRO 75 6.181 -1.532 -8.471 567 HG2 PRO 75 1HG PRO 75 5.272 -4.131 -9.647 568 HG3 PRO 75 2HG PRO 75 4.473 -3.109 -8.438 569 HD2 PRO 75 1HD PRO 75 3.757 -3.107 -11.049 570 HD3 PRO 75 2HD PRO 75 3.643 -1.660 -10.027 571 H GLN 76 H GLN 76 6.320 -3.137 -12.683 572 HA GLN 76 HA GLN 76 8.584 -4.891 -12.412 573 HB2 GLN 76 1HB GLN 76 7.803 -5.945 -14.414 574 HB3 GLN 76 2HB GLN 76 6.397 -5.578 -13.422 575 HG2 GLN 76 1HG GLN 76 6.344 -3.392 -14.869 576 HG3 GLN 76 2HG GLN 76 7.268 -4.380 -16.000 577 HE21 GLN 76 1HE2 GLN 76 4.826 -3.419 -16.712 578 HE22 GLN 76 2HE2 GLN 76 3.684 -4.712 -16.802 579 H ASN 77 H ASN 77 9.570 -2.367 -12.393 580 HA ASN 77 HA ASN 77 10.603 -1.871 -15.094 581 HB2 ASN 77 1HB ASN 77 10.197 -0.184 -12.677 582 HB3 ASN 77 2HB ASN 77 11.559 0.216 -13.719 583 HD21 ASN 77 1HD2 ASN 77 9.754 2.099 -13.509 584 HD22 ASN 77 2HD2 ASN 77 8.752 2.204 -14.912 585 HA PRO 78 HA PRO 78 14.436 -3.761 -13.945 586 HB2 PRO 78 1HB PRO 78 15.891 -2.893 -16.066 587 HB3 PRO 78 2HB PRO 78 14.704 -4.197 -16.184 588 HG2 PRO 78 1HG PRO 78 14.424 -1.307 -16.915 589 HG3 PRO 78 2HG PRO 78 13.873 -2.743 -17.798 590 HD2 PRO 78 1HD PRO 78 12.209 -1.236 -16.282 591 HD3 PRO 78 2HD PRO 78 11.997 -2.988 -16.480 592 H ASP 79 H ASP 79 13.701 -0.546 -13.755 593 HA ASP 79 HA ASP 79 16.442 0.231 -13.018 594 HB2 ASP 79 1HB ASP 79 15.016 1.544 -14.766 595 HB3 ASP 79 2HB ASP 79 14.194 2.191 -13.349 596 H GLU 80 H GLU 80 13.095 0.948 -11.999 597 HA GLU 80 HA GLU 80 13.977 1.566 -9.322 598 HB2 GLU 80 1HB GLU 80 11.982 2.578 -10.712 599 HB3 GLU 80 2HB GLU 80 11.096 1.216 -10.042 600 HG2 GLU 80 1HG GLU 80 12.671 2.938 -8.200 601 HG3 GLU 80 2HG GLU 80 11.141 3.541 -8.834 602 H ASN 81 H ASN 81 14.839 -0.369 -8.543 603 HA ASN 81 HA ASN 81 14.789 -2.316 -7.367 604 HB2 ASN 81 1HB ASN 81 12.653 -1.130 -6.451 605 HB3 ASN 81 2HB ASN 81 11.787 -2.317 -7.422 606 HD21 ASN 81 1HD2 ASN 81 10.926 -3.516 -5.820 607 HD22 ASN 81 2HD2 ASN 81 11.854 -4.419 -4.675 608 H GLU 82 H GLU 82 15.290 -2.701 -9.920 609 HA GLU 82 HA GLU 82 13.728 -4.059 -11.642 610 HB2 GLU 82 1HB GLU 82 15.699 -5.252 -12.428 611 HB3 GLU 82 2HB GLU 82 16.110 -3.589 -12.033 612 HG2 GLU 82 1HG GLU 82 17.335 -4.187 -10.178 613 HG3 GLU 82 2HG GLU 82 16.500 -5.728 -9.993 614 H SER 83 H SER 83 13.003 -6.150 -11.980 615 HA SER 83 HA SER 83 13.374 -8.081 -9.805 616 HB2 SER 83 1HB SER 83 10.670 -7.415 -10.990 617 HB3 SER 83 2HB SER 83 11.000 -8.572 -9.701 618 HG SER 83 HG SER 83 10.898 -5.797 -9.623 619 H GLY 84 H GLY 84 14.171 -9.865 -10.685 620 HA2 GLY 84 1HA GLY 84 13.693 -10.442 -13.501 621 HA3 GLY 84 2HA GLY 84 14.836 -11.263 -12.448 622 HA PRO 85 HA PRO 85 12.046 -14.645 -12.232 623 HB2 PRO 85 1HB PRO 85 12.860 -15.760 -9.894 624 HB3 PRO 85 2HB PRO 85 13.805 -15.857 -11.385 625 HG2 PRO 85 1HG PRO 85 14.128 -14.006 -9.054 626 HG3 PRO 85 2HG PRO 85 15.371 -14.873 -9.975 627 HD2 PRO 85 1HD PRO 85 14.815 -12.255 -10.384 628 HD3 PRO 85 2HD PRO 85 15.355 -13.331 -11.688 629 H SER 86 H SER 86 10.123 -13.363 -11.950 630 HA SER 86 HA SER 86 9.127 -12.138 -9.754 631 HB2 SER 86 1HB SER 86 7.789 -12.140 -11.713 632 HB3 SER 86 2HB SER 86 7.712 -13.902 -11.752 633 HG SER 86 HG SER 86 6.103 -13.853 -10.397 634 H SER 87 H SER 87 8.303 -12.657 -7.796 635 HA SER 87 HA SER 87 8.095 -15.512 -7.109 636 HB2 SER 87 1HB SER 87 9.474 -13.316 -5.566 637 HB3 SER 87 2HB SER 87 8.959 -14.820 -4.803 638 HG SER 87 HG SER 87 11.057 -14.336 -6.518 639 H GLY 88 H GLY 88 6.197 -16.054 -6.257 640 HA2 GLY 88 1HA GLY 88 4.120 -14.180 -5.891 641 HA3 GLY 88 2HA GLY 88 4.079 -15.865 -5.393 Start of MODEL 11 1 H1 GLY 1 H GLY 1 39.672 0.502 -8.318 2 HA2 GLY 1 1HA GLY 1 39.678 -1.884 -6.930 3 HA3 GLY 1 2HA GLY 1 38.367 -0.943 -6.234 4 H SER 2 H SER 2 36.789 -2.376 -6.973 5 HA SER 2 HA SER 2 36.013 -1.943 -9.736 6 HB2 SER 2 1HB SER 2 35.639 -4.425 -10.071 7 HB3 SER 2 2HB SER 2 37.328 -3.918 -10.046 8 HG SER 2 HG SER 2 37.490 -4.670 -7.940 9 H SER 3 H SER 3 33.818 -2.807 -10.178 10 HA SER 3 HA SER 3 32.202 -3.103 -7.741 11 HB2 SER 3 1HB SER 3 32.116 -0.745 -8.608 12 HB3 SER 3 2HB SER 3 31.400 -1.375 -10.091 13 HG SER 3 HG SER 3 30.333 -1.615 -7.470 14 H GLY 4 H GLY 4 30.312 -4.327 -7.953 15 HA2 GLY 4 1HA GLY 4 30.290 -6.045 -10.340 16 HA3 GLY 4 2HA GLY 4 29.618 -6.466 -8.772 17 H SER 5 H SER 5 27.819 -7.097 -10.303 18 HA SER 5 HA SER 5 25.808 -5.030 -10.208 19 HB2 SER 5 1HB SER 5 27.125 -4.849 -12.455 20 HB3 SER 5 2HB SER 5 26.215 -6.291 -12.903 21 HG SER 5 HG SER 5 24.347 -5.168 -12.776 22 H SER 6 H SER 6 23.670 -5.914 -11.080 23 HA SER 6 HA SER 6 23.361 -8.758 -11.205 24 HB2 SER 6 1HB SER 6 23.676 -8.271 -8.725 25 HB3 SER 6 2HB SER 6 22.136 -7.415 -8.793 26 HG SER 6 HG SER 6 21.346 -9.333 -8.434 27 H GLY 7 H GLY 7 21.039 -9.383 -11.369 28 HA2 GLY 7 1HA GLY 7 19.317 -7.142 -12.193 29 HA3 GLY 7 2HA GLY 7 19.584 -8.483 -13.296 30 HA PRO 8 HA PRO 8 16.187 -9.276 -9.965 31 HB2 PRO 8 1HB PRO 8 13.996 -8.198 -11.153 32 HB3 PRO 8 2HB PRO 8 15.011 -7.302 -10.017 33 HG2 PRO 8 1HG PRO 8 15.002 -7.234 -13.009 34 HG3 PRO 8 2HG PRO 8 15.121 -5.889 -11.860 35 HD2 PRO 8 1HD PRO 8 17.281 -6.914 -13.131 36 HD3 PRO 8 2HD PRO 8 17.370 -6.237 -11.493 37 H LEU 9 H LEU 9 13.858 -10.254 -10.638 38 HA LEU 9 HA LEU 9 14.126 -11.798 -13.109 39 HB2 LEU 9 1HB LEU 9 13.576 -13.023 -10.410 40 HB3 LEU 9 2HB LEU 9 13.565 -13.876 -11.952 41 HG LEU 9 HG LEU 9 16.057 -13.003 -12.056 42 HD11 LEU 9 1HD1 LEU 9 17.127 -12.744 -9.991 43 HD12 LEU 9 2HD1 LEU 9 15.731 -13.338 -9.092 44 HD13 LEU 9 3HD1 LEU 9 15.672 -11.754 -9.866 45 HD21 LEU 9 1HD2 LEU 9 16.757 -15.130 -11.362 46 HD22 LEU 9 2HD2 LEU 9 15.116 -15.371 -11.963 47 HD23 LEU 9 3HD2 LEU 9 15.419 -15.297 -10.226 48 HA PRO 10 HA PRO 10 9.830 -10.932 -13.496 49 HB2 PRO 10 1HB PRO 10 9.122 -12.935 -15.187 50 HB3 PRO 10 2HB PRO 10 10.059 -11.527 -15.703 51 HG2 PRO 10 1HG PRO 10 11.005 -14.279 -14.999 52 HG3 PRO 10 2HG PRO 10 11.504 -13.234 -16.342 53 HD2 PRO 10 1HD PRO 10 12.971 -13.500 -14.082 54 HD3 PRO 10 2HD PRO 10 12.920 -11.990 -15.015 55 H SER 11 H SER 11 7.839 -11.576 -12.715 56 HA SER 11 HA SER 11 7.490 -14.259 -11.661 57 HB2 SER 11 1HB SER 11 7.024 -13.578 -9.397 58 HB3 SER 11 2HB SER 11 8.612 -12.949 -9.836 59 HG SER 11 HG SER 11 7.867 -10.968 -9.730 60 H THR 12 H THR 12 5.332 -14.821 -11.312 61 HA THR 12 HA THR 12 3.427 -13.780 -12.991 62 HB THR 12 HB THR 12 2.827 -15.106 -10.341 63 HG1 THR 12 1HG THR 12 2.743 -17.003 -11.866 64 HG21 THR 12 1HG2 THR 12 1.235 -14.473 -12.772 65 HG22 THR 12 2HG2 THR 12 0.750 -14.492 -11.076 66 HG23 THR 12 3HG2 THR 12 0.927 -16.008 -11.961 67 H GLN 13 H GLN 13 1.457 -12.588 -12.581 68 HA GLN 13 HA GLN 13 1.958 -10.255 -10.948 69 HB2 GLN 13 1HB GLN 13 -0.176 -9.431 -11.945 70 HB3 GLN 13 2HB GLN 13 1.040 -9.876 -13.135 71 HG2 GLN 13 1HG GLN 13 -0.977 -11.906 -12.331 72 HG3 GLN 13 2HG GLN 13 -1.467 -10.596 -13.404 73 HE21 GLN 13 1HE2 GLN 13 -1.134 -13.527 -13.813 74 HE22 GLN 13 2HE2 GLN 13 -0.094 -13.670 -15.185 75 H ASN 14 H ASN 14 1.605 -12.664 -9.479 76 HA ASN 14 HA ASN 14 -0.996 -12.210 -8.177 77 HB2 ASN 14 1HB ASN 14 -0.565 -14.502 -9.094 78 HB3 ASN 14 2HB ASN 14 0.772 -14.654 -7.957 79 HD21 ASN 14 1HD2 ASN 14 -2.701 -14.245 -8.234 80 HD22 ASN 14 2HD2 ASN 14 -3.090 -14.903 -6.684 81 H GLY 15 H GLY 15 -1.099 -11.692 -6.046 82 HA2 GLY 15 1HA GLY 15 0.139 -12.003 -3.849 83 HA3 GLY 15 2HA GLY 15 1.488 -11.258 -4.694 84 HA PRO 16 HA PRO 16 -0.709 -7.881 -2.465 85 HB2 PRO 16 1HB PRO 16 1.566 -6.593 -1.730 86 HB3 PRO 16 2HB PRO 16 0.870 -7.923 -0.796 87 HG2 PRO 16 1HG PRO 16 3.132 -7.966 -2.756 88 HG3 PRO 16 2HG PRO 16 3.001 -8.770 -1.181 89 HD2 PRO 16 1HD PRO 16 2.591 -10.071 -3.520 90 HD3 PRO 16 2HD PRO 16 1.729 -10.496 -2.028 91 H VAL 17 H VAL 17 -1.268 -5.966 -3.350 92 HA VAL 17 HA VAL 17 -0.146 -5.263 -5.918 93 HB VAL 17 HB VAL 17 -2.341 -3.937 -4.319 94 HG11 VAL 17 1HG1 VAL 17 -1.968 -3.572 -7.255 95 HG12 VAL 17 2HG1 VAL 17 -2.749 -2.514 -6.078 96 HG13 VAL 17 3HG1 VAL 17 -0.989 -2.623 -6.137 97 HG21 VAL 17 1HG2 VAL 17 -3.644 -5.015 -6.348 98 HG22 VAL 17 2HG2 VAL 17 -2.287 -6.141 -6.317 99 HG23 VAL 17 3HG2 VAL 17 -3.297 -5.936 -4.885 100 H PHE 18 H PHE 18 1.168 -3.589 -6.382 101 HA PHE 18 HA PHE 18 2.197 -2.038 -4.115 102 HB2 PHE 18 1HB PHE 18 3.326 -2.710 -6.826 103 HB3 PHE 18 2HB PHE 18 4.025 -1.444 -5.822 104 HD1 PHE 18 1HD PHE 18 5.059 -2.007 -3.661 105 HD2 PHE 18 2HD PHE 18 3.655 -5.011 -6.330 106 HE1 PHE 18 1HE PHE 18 6.383 -3.693 -2.454 107 HE2 PHE 18 2HE PHE 18 4.976 -6.702 -5.126 108 HZ PHE 18 HZ PHE 18 6.341 -6.044 -3.185 109 H ALA 19 H ALA 19 2.104 0.153 -4.035 110 HA ALA 19 HA ALA 19 1.015 1.594 -6.346 111 HB1 ALA 19 1HB ALA 19 -0.757 0.951 -4.590 112 HB2 ALA 19 2HB ALA 19 -0.007 2.201 -3.597 113 HB3 ALA 19 3HB ALA 19 -0.704 2.618 -5.163 114 H LYS 20 H LYS 20 2.299 3.238 -6.827 115 HA LYS 20 HA LYS 20 4.293 4.157 -4.959 116 HB2 LYS 20 1HB LYS 20 5.034 3.983 -7.199 117 HB3 LYS 20 2HB LYS 20 3.630 4.845 -7.815 118 HG2 LYS 20 1HG LYS 20 4.438 6.916 -7.077 119 HG3 LYS 20 2HG LYS 20 5.631 6.167 -6.014 120 HD2 LYS 20 1HD LYS 20 5.788 5.601 -8.931 121 HD3 LYS 20 2HD LYS 20 6.308 7.188 -8.358 122 HE2 LYS 20 1HE LYS 20 7.625 5.756 -6.592 123 HE3 LYS 20 2HE LYS 20 7.458 4.492 -7.809 124 HZ1 LYS 20 1HZ LYS 20 9.447 5.499 -8.356 125 HZ2 LYS 20 2HZ LYS 20 8.897 7.057 -7.996 126 HZ3 LYS 20 3HZ LYS 20 8.363 6.276 -9.398 127 H ALA 21 H ALA 21 4.146 5.855 -3.648 128 HA ALA 21 HA ALA 21 1.745 7.355 -3.432 129 HB1 ALA 21 1HB ALA 21 2.585 8.124 -1.476 130 HB2 ALA 21 2HB ALA 21 3.694 6.770 -1.696 131 HB3 ALA 21 3HB ALA 21 4.193 8.401 -2.147 132 H ILE 22 H ILE 22 1.195 8.740 -5.004 133 HA ILE 22 HA ILE 22 3.211 10.342 -6.348 134 HB ILE 22 HB ILE 22 1.306 11.187 -7.702 135 HG12 ILE 22 1HG1 ILE 22 -0.399 9.092 -6.382 136 HG13 ILE 22 2HG1 ILE 22 -0.338 10.732 -5.745 137 HG21 ILE 22 1HG2 ILE 22 0.805 8.985 -8.798 138 HG22 ILE 22 2HG2 ILE 22 2.517 9.328 -8.557 139 HG23 ILE 22 3HG2 ILE 22 1.682 8.209 -7.480 140 HD11 ILE 22 1HD1 ILE 22 -0.992 11.518 -8.045 141 HD12 ILE 22 2HD1 ILE 22 -1.309 9.827 -8.435 142 HD13 ILE 22 3HD1 ILE 22 -2.220 10.622 -7.152 143 H GLN 23 H GLN 23 0.884 10.668 -3.819 144 HA GLN 23 HA GLN 23 1.467 13.552 -3.683 145 HB2 GLN 23 1HB GLN 23 -1.100 12.076 -3.159 146 HB3 GLN 23 2HB GLN 23 -0.798 13.659 -2.455 147 HG2 GLN 23 1HG GLN 23 -0.634 13.123 -5.406 148 HG3 GLN 23 2HG GLN 23 -2.116 13.628 -4.596 149 HE21 GLN 23 1HE2 GLN 23 -0.046 14.834 -6.559 150 HE22 GLN 23 2HE2 GLN 23 0.188 16.428 -5.936 151 H LYS 24 H LYS 24 1.791 14.452 -1.636 152 HA LYS 24 HA LYS 24 3.021 12.729 0.261 153 HB2 LYS 24 1HB LYS 24 3.630 15.140 -0.188 154 HB3 LYS 24 2HB LYS 24 2.182 15.597 0.699 155 HG2 LYS 24 1HG LYS 24 3.037 14.549 2.704 156 HG3 LYS 24 2HG LYS 24 4.460 13.981 1.826 157 HD2 LYS 24 1HD LYS 24 4.989 16.387 1.330 158 HD3 LYS 24 2HD LYS 24 3.693 16.830 2.443 159 HE2 LYS 24 1HE LYS 24 5.756 16.915 3.645 160 HE3 LYS 24 2HE LYS 24 4.860 15.504 4.207 161 HZ1 LYS 24 1HZ LYS 24 6.704 15.055 2.006 162 HZ2 LYS 24 2HZ LYS 24 6.374 14.092 3.357 163 HZ3 LYS 24 3HZ LYS 24 7.413 15.419 3.499 164 H ARG 25 H ARG 25 2.202 11.729 1.989 165 HA ARG 25 HA ARG 25 -0.498 12.494 2.887 166 HB2 ARG 25 1HB ARG 25 -0.681 10.397 1.726 167 HB3 ARG 25 2HB ARG 25 0.693 9.735 2.601 168 HG2 ARG 25 1HG ARG 25 -1.115 8.758 3.655 169 HG3 ARG 25 2HG ARG 25 -0.745 10.127 4.705 170 HD2 ARG 25 1HD ARG 25 -2.722 10.437 2.486 171 HD3 ARG 25 2HD ARG 25 -3.207 9.656 3.991 172 HE ARG 25 HE ARG 25 -1.924 12.087 4.579 173 HH11 ARG 25 2HH1 ARG 25 -4.876 10.869 3.194 174 HH12 ARG 25 1HH1 ARG 25 -5.815 12.250 3.654 175 HH21 ARG 25 2HH2 ARG 25 -3.150 13.911 5.191 176 HH22 ARG 25 1HH2 ARG 25 -4.832 13.980 4.789 177 H VAL 26 H VAL 26 -0.506 13.232 4.896 178 HA VAL 26 HA VAL 26 1.426 12.117 6.821 179 HB VAL 26 HB VAL 26 1.174 14.510 7.895 180 HG11 VAL 26 1HG1 VAL 26 3.023 14.956 5.792 181 HG12 VAL 26 2HG1 VAL 26 3.348 14.459 7.453 182 HG13 VAL 26 3HG1 VAL 26 3.074 13.243 6.205 183 HG21 VAL 26 1HG2 VAL 26 -0.410 15.434 6.363 184 HG22 VAL 26 2HG2 VAL 26 1.131 16.248 6.097 185 HG23 VAL 26 3HG2 VAL 26 0.591 14.997 4.978 186 HA PRO 27 HA PRO 27 -2.279 11.226 9.095 187 HB2 PRO 27 1HB PRO 27 -1.053 10.355 11.356 188 HB3 PRO 27 2HB PRO 27 -1.156 9.382 9.884 189 HG2 PRO 27 1HG PRO 27 1.118 11.040 10.903 190 HG3 PRO 27 2HG PRO 27 1.149 9.420 10.184 191 HD2 PRO 27 1HD PRO 27 1.786 11.647 8.783 192 HD3 PRO 27 2HD PRO 27 1.016 10.234 8.032 193 H CYS 28 H CYS 28 -3.352 11.924 11.042 194 HA CYS 28 HA CYS 28 -2.517 14.605 11.839 195 HB2 CYS 28 1HB CYS 28 -5.091 13.097 11.861 196 HB3 CYS 28 2HB CYS 28 -4.878 14.387 13.037 197 HG CYS 28 HG CYS 28 -4.162 16.227 10.878 198 H ALA 29 H ALA 29 -2.843 15.230 14.148 199 HA ALA 29 HA ALA 29 -1.203 13.787 15.844 200 HB1 ALA 29 1HB ALA 29 -2.338 16.218 15.965 201 HB2 ALA 29 2HB ALA 29 -3.325 15.365 17.152 202 HB3 ALA 29 3HB ALA 29 -1.573 15.432 17.346 203 H TYR 30 H TYR 30 -4.764 13.860 15.801 204 HA TYR 30 HA TYR 30 -5.003 11.867 17.839 205 HB2 TYR 30 1HB TYR 30 -7.431 11.865 17.115 206 HB3 TYR 30 2HB TYR 30 -6.798 13.417 17.651 207 HD1 TYR 30 1HD TYR 30 -7.949 11.474 14.758 208 HD2 TYR 30 2HD TYR 30 -6.530 15.253 16.103 209 HE1 TYR 30 1HE TYR 30 -8.676 12.493 12.641 210 HE2 TYR 30 2HE TYR 30 -7.254 16.283 13.990 211 HH TYR 30 HH TYR 30 -9.357 14.885 11.888 212 H ASP 31 H ASP 31 -5.116 11.884 14.320 213 HA ASP 31 HA ASP 31 -5.968 9.187 14.030 214 HB2 ASP 31 1HB ASP 31 -4.674 11.171 12.172 215 HB3 ASP 31 2HB ASP 31 -4.984 9.511 11.670 216 H LYS 32 H LYS 32 -4.822 7.527 14.768 217 HA LYS 32 HA LYS 32 -1.892 7.626 14.598 218 HB2 LYS 32 1HB LYS 32 -3.307 7.093 16.772 219 HB3 LYS 32 2HB LYS 32 -3.337 5.475 16.082 220 HG2 LYS 32 1HG LYS 32 -0.720 6.866 16.280 221 HG3 LYS 32 2HG LYS 32 -1.453 6.233 17.757 222 HD2 LYS 32 1HD LYS 32 -1.226 4.516 15.313 223 HD3 LYS 32 2HD LYS 32 0.154 4.723 16.393 224 HE2 LYS 32 1HE LYS 32 -0.893 2.807 17.202 225 HE3 LYS 32 2HE LYS 32 -1.482 4.082 18.268 226 HZ1 LYS 32 1HZ LYS 32 -3.025 3.362 15.869 227 HZ2 LYS 32 2HZ LYS 32 -3.563 4.030 17.327 228 HZ3 LYS 32 3HZ LYS 32 -3.137 2.395 17.253 229 H THR 33 H THR 33 -4.707 5.899 13.506 230 HA THR 33 HA THR 33 -3.296 3.627 12.483 231 HB THR 33 HB THR 33 -5.377 2.989 11.434 232 HG1 THR 33 1HG THR 33 -6.318 4.753 10.613 233 HG21 THR 33 1HG2 THR 33 -5.743 4.188 14.178 234 HG22 THR 33 2HG2 THR 33 -5.307 2.526 13.780 235 HG23 THR 33 3HG2 THR 33 -6.922 3.128 13.408 236 H ALA 34 H ALA 34 -4.010 6.802 11.325 237 HA ALA 34 HA ALA 34 -3.880 6.367 8.553 238 HB1 ALA 34 1HB ALA 34 -4.605 8.472 8.852 239 HB2 ALA 34 2HB ALA 34 -3.705 8.679 10.355 240 HB3 ALA 34 3HB ALA 34 -2.888 8.876 8.805 241 H LEU 35 H LEU 35 -2.250 5.731 7.313 242 HA LEU 35 HA LEU 35 0.416 5.518 8.386 243 HB2 LEU 35 1HB LEU 35 -0.928 3.973 6.701 244 HB3 LEU 35 2HB LEU 35 -0.156 5.022 5.514 245 HG LEU 35 HG LEU 35 1.124 3.098 7.431 246 HD11 LEU 35 1HD1 LEU 35 2.070 2.146 5.470 247 HD12 LEU 35 2HD1 LEU 35 1.525 3.495 4.475 248 HD13 LEU 35 3HD1 LEU 35 0.348 2.374 5.160 249 HD21 LEU 35 1HD2 LEU 35 3.289 4.069 6.403 250 HD22 LEU 35 2HD2 LEU 35 2.532 4.911 7.755 251 HD23 LEU 35 3HD2 LEU 35 2.311 5.507 6.110 252 H ALA 36 H ALA 36 2.151 6.759 7.936 253 HA ALA 36 HA ALA 36 1.677 9.196 6.391 254 HB1 ALA 36 1HB ALA 36 3.015 10.230 7.844 255 HB2 ALA 36 2HB ALA 36 2.921 8.758 8.812 256 HB3 ALA 36 3HB ALA 36 4.266 8.994 7.696 257 H LEU 37 H LEU 37 2.589 9.579 4.469 258 HA LEU 37 HA LEU 37 4.891 7.970 3.630 259 HB2 LEU 37 1HB LEU 37 2.547 8.479 1.817 260 HB3 LEU 37 2HB LEU 37 3.934 7.429 1.528 261 HG LEU 37 HG LEU 37 1.876 6.904 3.665 262 HD11 LEU 37 1HD1 LEU 37 0.625 6.781 1.692 263 HD12 LEU 37 2HD1 LEU 37 1.120 5.118 2.008 264 HD13 LEU 37 3HD1 LEU 37 1.960 6.070 0.784 265 HD21 LEU 37 1HD2 LEU 37 3.631 4.870 2.364 266 HD22 LEU 37 2HD2 LEU 37 2.896 4.862 3.967 267 HD23 LEU 37 3HD2 LEU 37 4.285 5.899 3.639 268 H GLU 38 H GLU 38 5.890 8.854 1.599 269 HA GLU 38 HA GLU 38 5.494 11.758 1.359 270 HB2 GLU 38 1HB GLU 38 7.855 12.165 1.376 271 HB3 GLU 38 2HB GLU 38 7.460 11.231 2.812 272 HG2 GLU 38 1HG GLU 38 8.337 9.788 0.364 273 HG3 GLU 38 2HG GLU 38 9.539 10.639 1.332 274 H VAL 39 H VAL 39 5.814 12.628 -0.669 275 HA VAL 39 HA VAL 39 5.141 11.281 -2.908 276 HB VAL 39 HB VAL 39 7.146 13.540 -2.799 277 HG11 VAL 39 1HG1 VAL 39 7.257 12.496 -4.953 278 HG12 VAL 39 2HG1 VAL 39 5.498 12.458 -5.079 279 HG13 VAL 39 3HG1 VAL 39 6.352 14.001 -5.115 280 HG21 VAL 39 1HG2 VAL 39 5.223 14.989 -3.184 281 HG22 VAL 39 2HG2 VAL 39 4.149 13.590 -3.157 282 HG23 VAL 39 3HG2 VAL 39 5.020 14.062 -1.698 283 H GLY 40 H GLY 40 5.940 9.544 -3.878 284 HA2 GLY 40 1HA GLY 40 7.583 8.413 -5.142 285 HA3 GLY 40 2HA GLY 40 8.823 9.366 -4.340 286 H ASP 41 H ASP 41 6.205 7.431 -2.933 287 HA ASP 41 HA ASP 41 8.229 5.622 -1.805 288 HB2 ASP 41 1HB ASP 41 6.204 7.266 -0.367 289 HB3 ASP 41 2HB ASP 41 6.515 5.641 0.237 290 H ILE 42 H ILE 42 7.784 3.557 -2.180 291 HA ILE 42 HA ILE 42 5.251 2.816 -3.351 292 HB ILE 42 HB ILE 42 7.617 1.072 -2.656 293 HG12 ILE 42 1HG1 ILE 42 8.385 2.646 -4.252 294 HG13 ILE 42 2HG1 ILE 42 7.982 1.204 -5.179 295 HG21 ILE 42 1HG2 ILE 42 5.728 0.327 -4.797 296 HG22 ILE 42 2HG2 ILE 42 6.568 -0.682 -3.621 297 HG23 ILE 42 3HG2 ILE 42 5.123 0.209 -3.145 298 HD11 ILE 42 1HD1 ILE 42 5.649 2.492 -5.349 299 HD12 ILE 42 2HD1 ILE 42 6.734 3.872 -5.181 300 HD13 ILE 42 3HD1 ILE 42 6.968 2.721 -6.496 301 H VAL 43 H VAL 43 3.549 2.095 -2.268 302 HA VAL 43 HA VAL 43 3.875 1.293 0.527 303 HB VAL 43 HB VAL 43 1.271 1.723 -0.929 304 HG11 VAL 43 1HG1 VAL 43 2.067 1.599 1.970 305 HG12 VAL 43 2HG1 VAL 43 0.514 2.235 1.426 306 HG13 VAL 43 3HG1 VAL 43 0.942 0.555 1.103 307 HG21 VAL 43 1HG2 VAL 43 2.987 3.730 0.524 308 HG22 VAL 43 2HG2 VAL 43 2.490 3.770 -1.168 309 HG23 VAL 43 3HG2 VAL 43 1.294 3.995 0.108 310 H LYS 44 H LYS 44 4.201 -0.806 0.850 311 HA LYS 44 HA LYS 44 3.141 -2.778 -1.002 312 HB2 LYS 44 1HB LYS 44 5.460 -2.962 -0.147 313 HB3 LYS 44 2HB LYS 44 4.824 -3.162 1.481 314 HG2 LYS 44 1HG LYS 44 3.502 -5.142 0.348 315 HG3 LYS 44 2HG LYS 44 4.840 -5.061 -0.800 316 HD2 LYS 44 1HD LYS 44 6.416 -5.628 0.799 317 HD3 LYS 44 2HD LYS 44 5.394 -5.102 2.139 318 HE2 LYS 44 1HE LYS 44 5.211 -7.376 2.346 319 HE3 LYS 44 2HE LYS 44 3.839 -7.041 1.290 320 HZ1 LYS 44 1HZ LYS 44 6.252 -7.477 -0.177 321 HZ2 LYS 44 2HZ LYS 44 4.745 -8.226 -0.339 322 HZ3 LYS 44 3HZ LYS 44 5.860 -8.806 0.794 323 H VAL 45 H VAL 45 1.065 -3.302 -0.739 324 HA VAL 45 HA VAL 45 -0.015 -3.536 1.981 325 HB VAL 45 HB VAL 45 -1.454 -2.153 0.788 326 HG11 VAL 45 1HG1 VAL 45 -2.288 -2.847 -1.535 327 HG12 VAL 45 2HG1 VAL 45 -0.639 -2.231 -1.403 328 HG13 VAL 45 3HG1 VAL 45 -0.925 -3.966 -1.544 329 HG21 VAL 45 1HG2 VAL 45 -2.611 -4.068 1.871 330 HG22 VAL 45 2HG2 VAL 45 -3.507 -3.375 0.519 331 HG23 VAL 45 3HG2 VAL 45 -2.628 -4.889 0.311 332 H THR 46 H THR 46 -0.771 -5.426 2.780 333 HA THR 46 HA THR 46 -0.543 -7.798 1.042 334 HB THR 46 HB THR 46 0.036 -9.119 2.988 335 HG1 THR 46 1HG THR 46 -0.170 -6.676 4.447 336 HG21 THR 46 1HG2 THR 46 2.205 -8.085 3.580 337 HG22 THR 46 2HG2 THR 46 1.678 -6.591 2.806 338 HG23 THR 46 3HG2 THR 46 1.890 -8.054 1.846 339 H ARG 47 H ARG 47 -2.486 -6.056 3.341 340 HA ARG 47 HA ARG 47 -4.621 -8.061 3.004 341 HB2 ARG 47 1HB ARG 47 -3.705 -7.872 5.335 342 HB3 ARG 47 2HB ARG 47 -4.274 -6.209 5.365 343 HG2 ARG 47 1HG ARG 47 -6.564 -6.962 5.092 344 HG3 ARG 47 2HG ARG 47 -6.016 -8.636 4.989 345 HD2 ARG 47 1HD ARG 47 -5.254 -7.006 7.366 346 HD3 ARG 47 2HD ARG 47 -6.898 -7.633 7.253 347 HE ARG 47 HE ARG 47 -5.365 -9.808 6.757 348 HH11 ARG 47 2HH1 ARG 47 -5.417 -7.438 9.306 349 HH12 ARG 47 1HH1 ARG 47 -4.836 -8.535 10.515 350 HH21 ARG 47 2HH2 ARG 47 -4.600 -11.262 8.340 351 HH22 ARG 47 1HH2 ARG 47 -4.371 -10.710 9.964 352 H MET 48 H MET 48 -5.951 -7.261 1.499 353 HA MET 48 HA MET 48 -6.577 -4.397 1.523 354 HB2 MET 48 1HB MET 48 -6.772 -6.552 -0.550 355 HB3 MET 48 2HB MET 48 -7.763 -5.107 -0.698 356 HG2 MET 48 1HG MET 48 -5.444 -3.909 -0.308 357 HG3 MET 48 2HG MET 48 -4.826 -5.432 -0.942 358 HE1 MET 48 1HE MET 48 -4.831 -2.544 -3.796 359 HE2 MET 48 2HE MET 48 -4.685 -2.325 -2.052 360 HE3 MET 48 3HE MET 48 -3.752 -3.583 -2.865 361 H ASN 49 H ASN 49 -8.363 -3.761 2.518 362 HA ASN 49 HA ASN 49 -10.443 -5.687 3.156 363 HB2 ASN 49 1HB ASN 49 -10.308 -2.758 3.893 364 HB3 ASN 49 2HB ASN 49 -11.334 -3.990 4.622 365 HD21 ASN 49 1HD2 ASN 49 -9.267 -2.194 5.752 366 HD22 ASN 49 2HD2 ASN 49 -8.164 -3.238 6.576 367 H ILE 50 H ILE 50 -12.682 -5.304 2.711 368 HA ILE 50 HA ILE 50 -13.190 -4.545 0.042 369 HB ILE 50 HB ILE 50 -15.161 -4.938 2.297 370 HG12 ILE 50 1HG1 ILE 50 -13.760 -6.915 1.881 371 HG13 ILE 50 2HG1 ILE 50 -15.425 -7.200 1.389 372 HG21 ILE 50 1HG2 ILE 50 -16.634 -5.536 0.232 373 HG22 ILE 50 2HG2 ILE 50 -16.409 -3.851 0.695 374 HG23 ILE 50 3HG2 ILE 50 -15.480 -4.528 -0.642 375 HD11 ILE 50 1HD1 ILE 50 -12.969 -7.128 -0.204 376 HD12 ILE 50 2HD1 ILE 50 -14.474 -8.010 -0.465 377 HD13 ILE 50 3HD1 ILE 50 -14.355 -6.312 -0.928 378 H ASN 51 H ASN 51 -14.004 -2.967 3.126 379 HA ASN 51 HA ASN 51 -15.453 -0.827 2.379 380 HB2 ASN 51 1HB ASN 51 -14.802 0.211 4.333 381 HB3 ASN 51 2HB ASN 51 -14.290 -1.441 4.669 382 HD21 ASN 51 1HD2 ASN 51 -12.101 -1.951 4.632 383 HD22 ASN 51 2HD2 ASN 51 -10.877 -0.734 4.701 384 H GLY 52 H GLY 52 -11.912 -1.033 2.104 385 HA2 GLY 52 1HA GLY 52 -11.340 -0.005 -0.239 386 HA3 GLY 52 2HA GLY 52 -11.903 1.457 0.559 387 H GLN 53 H GLN 53 -10.844 1.017 3.117 388 HA GLN 53 HA GLN 53 -8.154 1.868 2.686 389 HB2 GLN 53 1HB GLN 53 -9.831 1.354 5.124 390 HB3 GLN 53 2HB GLN 53 -8.109 1.682 5.274 391 HG2 GLN 53 1HG GLN 53 -9.053 3.765 5.555 392 HG3 GLN 53 2HG GLN 53 -8.610 3.769 3.849 393 HE21 GLN 53 1HE2 GLN 53 -11.242 3.520 6.127 394 HE22 GLN 53 2HE2 GLN 53 -12.506 3.884 5.007 395 H TRP 54 H TRP 54 -6.367 0.684 2.576 396 HA TRP 54 HA TRP 54 -6.522 -2.143 3.373 397 HB2 TRP 54 1HB TRP 54 -4.382 -0.979 1.608 398 HB3 TRP 54 2HB TRP 54 -4.925 -2.651 1.725 399 HD1 TRP 54 HD TRP 54 -8.008 -2.305 1.261 400 HE1 TRP 54 1HE TRP 54 -8.902 -1.572 -1.038 401 HE3 TRP 54 3HE TRP 54 -3.781 -0.105 -0.590 402 HZ2 TRP 54 2HZ TRP 54 -7.942 -0.239 -3.334 403 HZ3 TRP 54 3HZ TRP 54 -3.852 0.875 -2.846 404 HH2 TRP 54 HH TRP 54 -5.891 0.808 -4.188 405 H GLU 55 H GLU 55 -4.227 -3.032 3.930 406 HA GLU 55 HA GLU 55 -2.946 -1.149 5.800 407 HB2 GLU 55 1HB GLU 55 -4.358 -3.027 6.816 408 HB3 GLU 55 2HB GLU 55 -3.108 -4.123 6.244 409 HG2 GLU 55 1HG GLU 55 -1.450 -2.834 7.561 410 HG3 GLU 55 2HG GLU 55 -2.777 -1.874 8.214 411 H GLY 56 H GLY 56 -1.045 -0.612 4.929 412 HA2 GLY 56 1HA GLY 56 0.723 -2.804 4.066 413 HA3 GLY 56 2HA GLY 56 0.510 -1.397 3.035 414 H GLU 57 H GLU 57 2.945 -2.429 4.282 415 HA GLU 57 HA GLU 57 3.587 -0.329 6.219 416 HB2 GLU 57 1HB GLU 57 4.152 -2.884 6.454 417 HB3 GLU 57 2HB GLU 57 5.511 -2.476 5.416 418 HG2 GLU 57 1HG GLU 57 5.818 -0.549 7.205 419 HG3 GLU 57 2HG GLU 57 4.965 -1.707 8.224 420 H VAL 58 H VAL 58 4.998 1.288 5.812 421 HA VAL 58 HA VAL 58 6.442 1.258 3.250 422 HB VAL 58 HB VAL 58 4.778 3.518 4.354 423 HG11 VAL 58 1HG1 VAL 58 6.948 4.378 3.606 424 HG12 VAL 58 2HG1 VAL 58 6.713 3.598 2.041 425 HG13 VAL 58 3HG1 VAL 58 5.640 4.903 2.547 426 HG21 VAL 58 1HG2 VAL 58 4.196 1.478 2.549 427 HG22 VAL 58 2HG2 VAL 58 3.267 2.953 2.819 428 HG23 VAL 58 3HG2 VAL 58 4.489 2.901 1.548 429 H ASN 59 H ASN 59 8.482 1.031 3.989 430 HA ASN 59 HA ASN 59 10.294 1.304 5.425 431 HB2 ASN 59 1HB ASN 59 11.028 3.823 5.144 432 HB3 ASN 59 2HB ASN 59 11.046 2.723 3.769 433 HD21 ASN 59 1HD2 ASN 59 9.252 5.278 5.358 434 HD22 ASN 59 2HD2 ASN 59 8.371 5.786 3.962 435 H GLY 60 H GLY 60 7.999 1.299 7.012 436 HA2 GLY 60 1HA GLY 60 8.953 2.640 9.327 437 HA3 GLY 60 2HA GLY 60 7.574 3.495 8.653 438 H ARG 61 H ARG 61 5.528 2.570 8.744 439 HA ARG 61 HA ARG 61 5.282 0.004 10.139 440 HB2 ARG 61 1HB ARG 61 3.680 2.436 10.937 441 HB3 ARG 61 2HB ARG 61 3.697 0.862 11.721 442 HG2 ARG 61 1HG ARG 61 5.669 1.256 12.788 443 HG3 ARG 61 2HG ARG 61 6.260 2.342 11.530 444 HD2 ARG 61 1HD ARG 61 5.828 3.837 13.216 445 HD3 ARG 61 2HD ARG 61 4.292 3.863 12.351 446 HE ARG 61 HE ARG 61 4.225 1.895 14.371 447 HH11 ARG 61 2HH1 ARG 61 4.186 5.349 13.937 448 HH12 ARG 61 1HH1 ARG 61 3.293 5.652 15.390 449 HH21 ARG 61 2HH2 ARG 61 3.049 2.281 16.287 450 HH22 ARG 61 1HH2 ARG 61 2.647 3.907 16.726 451 H LYS 62 H LYS 62 2.733 -0.433 10.317 452 HA LYS 62 HA LYS 62 1.753 -0.202 7.563 453 HB2 LYS 62 1HB LYS 62 0.645 -2.008 9.706 454 HB3 LYS 62 2HB LYS 62 0.449 -2.145 7.964 455 HG2 LYS 62 1HG LYS 62 3.088 -2.365 8.061 456 HG3 LYS 62 2HG LYS 62 2.723 -2.938 9.690 457 HD2 LYS 62 1HD LYS 62 1.002 -4.467 8.549 458 HD3 LYS 62 2HD LYS 62 1.855 -4.083 7.052 459 HE2 LYS 62 1HE LYS 62 3.971 -4.819 8.228 460 HE3 LYS 62 2HE LYS 62 2.935 -5.449 9.508 461 HZ1 LYS 62 1HZ LYS 62 1.891 -6.414 7.145 462 HZ2 LYS 62 2HZ LYS 62 2.752 -7.287 8.310 463 HZ3 LYS 62 3HZ LYS 62 3.567 -6.599 6.996 464 H GLY 63 H GLY 63 0.124 1.119 7.095 465 HA2 GLY 63 1HA GLY 63 -1.908 1.680 9.126 466 HA3 GLY 63 2HA GLY 63 -1.018 3.047 8.471 467 H LEU 64 H LEU 64 -3.705 3.045 8.210 468 HA LEU 64 HA LEU 64 -4.460 1.934 5.649 469 HB2 LEU 64 1HB LEU 64 -5.949 3.765 7.524 470 HB3 LEU 64 2HB LEU 64 -6.628 3.010 6.084 471 HG LEU 64 HG LEU 64 -5.681 1.587 8.571 472 HD11 LEU 64 1HD1 LEU 64 -7.707 2.209 9.295 473 HD12 LEU 64 2HD1 LEU 64 -8.303 0.961 8.202 474 HD13 LEU 64 3HD1 LEU 64 -8.262 2.644 7.679 475 HD21 LEU 64 1HD2 LEU 64 -6.963 -0.316 7.301 476 HD22 LEU 64 2HD2 LEU 64 -5.265 0.014 6.954 477 HD23 LEU 64 3HD2 LEU 64 -6.521 0.628 5.877 478 H PHE 65 H PHE 65 -4.216 2.916 3.759 479 HA PHE 65 HA PHE 65 -3.963 5.850 3.718 480 HB2 PHE 65 1HB PHE 65 -2.357 5.581 1.831 481 HB3 PHE 65 2HB PHE 65 -1.761 4.921 3.351 482 HD1 PHE 65 1HD PHE 65 -1.641 2.494 3.687 483 HD2 PHE 65 2HD PHE 65 -2.787 4.182 -0.049 484 HE1 PHE 65 1HE PHE 65 -1.228 0.332 2.588 485 HE2 PHE 65 2HE PHE 65 -2.376 2.022 -1.154 486 HZ PHE 65 HZ PHE 65 -1.596 0.094 0.164 487 HA PRO 66 HA PRO 66 -7.241 5.774 0.781 488 HB2 PRO 66 1HB PRO 66 -6.801 8.172 -0.413 489 HB3 PRO 66 2HB PRO 66 -7.476 8.018 1.214 490 HG2 PRO 66 1HG PRO 66 -4.663 8.608 0.378 491 HG3 PRO 66 2HG PRO 66 -5.627 9.353 1.667 492 HD2 PRO 66 1HD PRO 66 -3.763 7.451 2.156 493 HD3 PRO 66 2HD PRO 66 -5.234 7.620 3.135 494 H PHE 67 H PHE 67 -7.314 4.609 -1.025 495 HA PHE 67 HA PHE 67 -5.109 4.084 -2.673 496 HB2 PHE 67 1HB PHE 67 -6.698 2.983 -4.166 497 HB3 PHE 67 2HB PHE 67 -7.062 2.589 -2.489 498 HD1 PHE 67 2HD PHE 67 -8.053 4.851 -5.261 499 HD2 PHE 67 1HD PHE 67 -9.193 2.936 -1.635 500 HE1 PHE 67 2HE PHE 67 -10.369 5.613 -5.591 501 HE2 PHE 67 1HE PHE 67 -11.511 3.695 -1.959 502 HZ PHE 67 HZ PHE 67 -12.101 5.036 -3.939 503 H THR 68 H THR 68 -7.273 6.727 -2.604 504 HA THR 68 HA THR 68 -6.956 7.497 -5.358 505 HB THR 68 HB THR 68 -7.988 9.675 -4.556 506 HG1 THR 68 1HG THR 68 -7.673 9.795 -2.420 507 HG21 THR 68 1HG2 THR 68 -9.861 7.598 -3.645 508 HG22 THR 68 2HG2 THR 68 -9.135 7.302 -5.225 509 HG23 THR 68 3HG2 THR 68 -10.029 8.793 -4.931 510 H HIS 69 H HIS 69 -4.843 7.474 -2.867 511 HA HIS 69 HA HIS 69 -3.535 9.988 -3.647 512 HB2 HIS 69 1HB HIS 69 -3.434 8.302 -1.169 513 HB3 HIS 69 2HB HIS 69 -2.090 9.373 -1.555 514 HD1 HIS 69 1HD HIS 69 -2.646 10.794 0.559 515 HD2 HIS 69 2HD HIS 69 -5.654 10.706 -2.305 516 HE1 HIS 69 1HE HIS 69 -4.228 12.645 1.188 517 HE2 HIS 69 2HE HIS 69 -6.084 12.517 -0.509 518 H VAL 70 H VAL 70 -3.173 6.524 -3.560 519 HA VAL 70 HA VAL 70 -0.474 6.772 -4.711 520 HB VAL 70 HB VAL 70 -0.135 4.421 -4.101 521 HG11 VAL 70 1HG1 VAL 70 -0.250 6.615 -2.375 522 HG12 VAL 70 2HG1 VAL 70 -0.978 5.277 -1.484 523 HG13 VAL 70 3HG1 VAL 70 0.651 5.117 -2.142 524 HG21 VAL 70 1HG2 VAL 70 -2.434 3.646 -4.255 525 HG22 VAL 70 2HG2 VAL 70 -1.766 3.271 -2.666 526 HG23 VAL 70 3HG2 VAL 70 -2.877 4.627 -2.857 527 H LYS 71 H LYS 71 -0.085 6.101 -6.736 528 HA LYS 71 HA LYS 71 -2.345 5.211 -8.333 529 HB2 LYS 71 1HB LYS 71 -0.647 7.028 -9.002 530 HB3 LYS 71 2HB LYS 71 0.447 5.695 -9.347 531 HG2 LYS 71 1HG LYS 71 -0.498 6.142 -11.408 532 HG3 LYS 71 2HG LYS 71 -1.471 4.794 -10.815 533 HD2 LYS 71 1HD LYS 71 -3.321 6.099 -10.479 534 HD3 LYS 71 2HD LYS 71 -2.372 7.558 -10.185 535 HE2 LYS 71 1HE LYS 71 -3.349 7.963 -12.256 536 HE3 LYS 71 2HE LYS 71 -1.737 7.383 -12.675 537 HZ1 LYS 71 1HZ LYS 71 -2.616 5.696 -13.783 538 HZ2 LYS 71 2HZ LYS 71 -4.150 6.366 -13.542 539 HZ3 LYS 71 3HZ LYS 71 -3.550 5.216 -12.456 540 H ILE 72 H ILE 72 -2.668 3.186 -9.001 541 HA ILE 72 HA ILE 72 -0.937 1.088 -8.094 542 HB ILE 72 HB ILE 72 -3.363 0.957 -9.890 543 HG12 ILE 72 1HG1 ILE 72 -3.994 1.793 -7.730 544 HG13 ILE 72 2HG1 ILE 72 -4.462 0.097 -7.798 545 HG21 ILE 72 1HG2 ILE 72 -2.847 -1.172 -10.239 546 HG22 ILE 72 2HG2 ILE 72 -1.405 -1.014 -9.237 547 HG23 ILE 72 3HG2 ILE 72 -2.944 -1.463 -8.503 548 HD11 ILE 72 1HD1 ILE 72 -2.141 -0.281 -6.670 549 HD12 ILE 72 2HD1 ILE 72 -2.320 1.412 -6.209 550 HD13 ILE 72 3HD1 ILE 72 -3.532 0.230 -5.714 551 H PHE 73 H PHE 73 0.853 0.490 -9.103 552 HA PHE 73 HA PHE 73 0.864 0.424 -12.041 553 HB2 PHE 73 1HB PHE 73 2.873 1.547 -12.236 554 HB3 PHE 73 2HB PHE 73 2.157 2.394 -10.869 555 HD1 PHE 73 1HD PHE 73 2.986 2.030 -8.606 556 HD2 PHE 73 2HD PHE 73 4.790 0.136 -11.964 557 HE1 PHE 73 1HE PHE 73 4.959 1.493 -7.238 558 HE2 PHE 73 2HE PHE 73 6.766 -0.406 -10.601 559 HZ PHE 73 HZ PHE 73 6.852 0.272 -8.235 560 H ASP 74 H ASP 74 2.349 -1.098 -12.971 561 HA ASP 74 HA ASP 74 2.722 -3.430 -11.256 562 HB2 ASP 74 1HB ASP 74 2.711 -3.015 -14.237 563 HB3 ASP 74 2HB ASP 74 3.324 -4.505 -13.524 564 HA PRO 75 HA PRO 75 7.060 -2.826 -10.822 565 HB2 PRO 75 1HB PRO 75 7.794 -5.386 -10.297 566 HB3 PRO 75 2HB PRO 75 6.950 -4.370 -9.123 567 HG2 PRO 75 1HG PRO 75 5.850 -6.482 -10.938 568 HG3 PRO 75 2HG PRO 75 5.482 -6.169 -9.231 569 HD2 PRO 75 1HD PRO 75 3.863 -5.356 -11.244 570 HD3 PRO 75 2HD PRO 75 4.034 -4.446 -9.729 571 H GLN 76 H GLN 76 5.763 -5.141 -13.098 572 HA GLN 76 HA GLN 76 7.806 -6.246 -14.404 573 HB2 GLN 76 1HB GLN 76 5.547 -4.735 -15.727 574 HB3 GLN 76 2HB GLN 76 6.589 -5.893 -16.543 575 HG2 GLN 76 1HG GLN 76 4.923 -6.601 -14.146 576 HG3 GLN 76 2HG GLN 76 4.339 -6.742 -15.803 577 HE21 GLN 76 1HE2 GLN 76 6.802 -7.844 -13.552 578 HE22 GLN 76 2HE2 GLN 76 7.113 -9.350 -14.340 579 H ASN 77 H ASN 77 6.790 -2.884 -15.017 580 HA ASN 77 HA ASN 77 8.645 -2.126 -16.871 581 HB2 ASN 77 1HB ASN 77 6.750 -0.784 -15.602 582 HB3 ASN 77 2HB ASN 77 8.105 -0.233 -14.622 583 HD21 ASN 77 1HD2 ASN 77 6.597 -0.158 -17.734 584 HD22 ASN 77 2HD2 ASN 77 7.566 1.107 -18.404 585 HA PRO 78 HA PRO 78 12.555 -2.653 -14.863 586 HB2 PRO 78 1HB PRO 78 14.060 -1.355 -16.713 587 HB3 PRO 78 2HB PRO 78 13.409 -2.978 -16.971 588 HG2 PRO 78 1HG PRO 78 12.369 -0.343 -17.940 589 HG3 PRO 78 2HG PRO 78 12.507 -1.881 -18.813 590 HD2 PRO 78 1HD PRO 78 10.170 -1.007 -17.761 591 HD3 PRO 78 2HD PRO 78 10.581 -2.731 -17.874 592 H ASP 79 H ASP 79 10.968 0.310 -15.433 593 HA ASP 79 HA ASP 79 12.767 2.271 -14.792 594 HB2 ASP 79 1HB ASP 79 10.625 3.031 -15.326 595 HB3 ASP 79 2HB ASP 79 9.849 1.949 -14.172 596 H GLU 80 H GLU 80 10.711 0.587 -12.408 597 HA GLU 80 HA GLU 80 12.072 1.642 -10.164 598 HB2 GLU 80 1HB GLU 80 9.714 0.542 -10.351 599 HB3 GLU 80 2HB GLU 80 10.585 -0.960 -10.075 600 HG2 GLU 80 1HG GLU 80 9.663 -0.047 -8.011 601 HG3 GLU 80 2HG GLU 80 11.423 -0.125 -7.965 602 H ASN 81 H ASN 81 14.294 1.283 -10.622 603 HA ASN 81 HA ASN 81 15.512 -1.137 -11.190 604 HB2 ASN 81 1HB ASN 81 16.512 1.228 -9.598 605 HB3 ASN 81 2HB ASN 81 17.537 -0.133 -10.044 606 HD21 ASN 81 1HD2 ASN 81 18.865 0.654 -11.529 607 HD22 ASN 81 2HD2 ASN 81 18.384 1.479 -12.969 608 H GLU 82 H GLU 82 14.915 0.306 -7.989 609 HA GLU 82 HA GLU 82 15.844 -2.035 -6.608 610 HB2 GLU 82 1HB GLU 82 16.099 0.171 -5.597 611 HB3 GLU 82 2HB GLU 82 14.356 0.398 -5.607 612 HG2 GLU 82 1HG GLU 82 14.202 -1.625 -4.114 613 HG3 GLU 82 2HG GLU 82 15.955 -1.532 -3.956 614 H SER 83 H SER 83 14.587 -3.766 -7.239 615 HA SER 83 HA SER 83 11.810 -3.812 -7.481 616 HB2 SER 83 1HB SER 83 13.480 -5.591 -8.223 617 HB3 SER 83 2HB SER 83 13.460 -6.166 -6.557 618 HG SER 83 HG SER 83 11.421 -6.207 -8.485 619 H GLY 84 H GLY 84 13.824 -4.781 -4.702 620 HA2 GLY 84 1HA GLY 84 11.967 -3.769 -2.805 621 HA3 GLY 84 2HA GLY 84 11.797 -5.512 -2.956 622 HA PRO 85 HA PRO 85 15.100 -4.499 0.192 623 HB2 PRO 85 1HB PRO 85 14.007 -5.957 2.204 624 HB3 PRO 85 2HB PRO 85 13.590 -4.265 1.907 625 HG2 PRO 85 1HG PRO 85 12.113 -6.747 1.119 626 HG3 PRO 85 2HG PRO 85 11.478 -5.231 1.785 627 HD2 PRO 85 1HD PRO 85 11.365 -5.822 -0.855 628 HD3 PRO 85 2HD PRO 85 11.542 -4.160 -0.255 629 H SER 86 H SER 86 13.955 -7.093 -1.546 630 HA SER 86 HA SER 86 14.959 -9.381 -0.432 631 HB2 SER 86 1HB SER 86 13.755 -9.052 -2.687 632 HB3 SER 86 2HB SER 86 15.364 -8.788 -3.359 633 HG SER 86 HG SER 86 14.160 -11.111 -2.551 634 H SER 87 H SER 87 16.854 -9.446 0.624 635 HA SER 87 HA SER 87 19.287 -9.215 -0.929 636 HB2 SER 87 1HB SER 87 18.873 -6.907 -0.045 637 HB3 SER 87 2HB SER 87 18.969 -7.565 1.588 638 HG SER 87 HG SER 87 21.111 -8.436 0.618 639 H GLY 88 H GLY 88 20.592 -10.839 -0.399 640 HA2 GLY 88 1HA GLY 88 21.143 -11.646 2.257 641 HA3 GLY 88 2HA GLY 88 19.979 -12.748 1.536 Start of MODEL 12 1 H1 GLY 1 H GLY 1 3.039 -44.790 19.563 2 HA2 GLY 1 1HA GLY 1 5.557 -45.574 18.459 3 HA3 GLY 1 2HA GLY 1 4.302 -45.522 17.230 4 H SER 2 H SER 2 5.317 -43.818 16.139 5 HA SER 2 HA SER 2 4.715 -41.204 17.253 6 HB2 SER 2 1HB SER 2 6.944 -41.357 18.047 7 HB3 SER 2 2HB SER 2 7.510 -42.094 16.548 8 HG SER 2 HG SER 2 6.446 -39.472 16.677 9 H SER 3 H SER 3 4.152 -39.742 15.723 10 HA SER 3 HA SER 3 4.994 -39.782 13.035 11 HB2 SER 3 1HB SER 3 3.389 -41.841 13.270 12 HB3 SER 3 2HB SER 3 2.120 -40.617 13.228 13 HG SER 3 HG SER 3 3.028 -41.641 11.159 14 H GLY 4 H GLY 4 3.399 -38.392 11.643 15 HA2 GLY 4 1HA GLY 4 1.611 -36.618 12.901 16 HA3 GLY 4 2HA GLY 4 3.202 -35.874 12.858 17 H SER 5 H SER 5 0.692 -35.127 11.497 18 HA SER 5 HA SER 5 1.824 -34.556 8.932 19 HB2 SER 5 1HB SER 5 0.971 -36.889 8.608 20 HB3 SER 5 2HB SER 5 -0.651 -36.298 8.967 21 HG SER 5 HG SER 5 0.982 -35.256 6.896 22 H SER 6 H SER 6 1.172 -32.579 8.424 23 HA SER 6 HA SER 6 -1.537 -31.726 8.596 24 HB2 SER 6 1HB SER 6 0.414 -30.639 10.637 25 HB3 SER 6 2HB SER 6 -1.127 -29.875 10.247 26 HG SER 6 HG SER 6 -1.885 -32.219 10.721 27 H GLY 7 H GLY 7 -1.713 -29.321 8.087 28 HA2 GLY 7 1HA GLY 7 0.452 -27.866 7.044 29 HA3 GLY 7 2HA GLY 7 -0.282 -28.775 5.732 30 HA PRO 8 HA PRO 8 -2.692 -24.796 7.003 31 HB2 PRO 8 1HB PRO 8 -1.432 -22.901 5.522 32 HB3 PRO 8 2HB PRO 8 -0.991 -23.263 7.195 33 HG2 PRO 8 1HG PRO 8 0.300 -24.181 4.655 34 HG3 PRO 8 2HG PRO 8 1.058 -23.608 6.152 35 HD2 PRO 8 1HD PRO 8 0.854 -26.237 5.537 36 HD3 PRO 8 2HD PRO 8 0.803 -25.641 7.208 37 H LEU 9 H LEU 9 -3.943 -23.417 5.457 38 HA LEU 9 HA LEU 9 -4.466 -24.940 3.008 39 HB2 LEU 9 1HB LEU 9 -6.114 -22.924 4.522 40 HB3 LEU 9 2HB LEU 9 -6.591 -23.610 2.970 41 HG LEU 9 HG LEU 9 -6.097 -25.278 5.430 42 HD11 LEU 9 1HD1 LEU 9 -7.929 -24.217 6.216 43 HD12 LEU 9 2HD1 LEU 9 -8.761 -25.341 5.142 44 HD13 LEU 9 3HD1 LEU 9 -8.447 -23.688 4.615 45 HD21 LEU 9 1HD2 LEU 9 -7.062 -27.037 4.244 46 HD22 LEU 9 2HD2 LEU 9 -6.030 -26.247 3.051 47 HD23 LEU 9 3HD2 LEU 9 -7.771 -25.963 3.038 48 HA PRO 10 HA PRO 10 -2.771 -21.797 0.436 49 HB2 PRO 10 1HB PRO 10 -4.147 -22.315 -1.846 50 HB3 PRO 10 2HB PRO 10 -2.843 -23.351 -1.255 51 HG2 PRO 10 1HG PRO 10 -5.805 -23.696 -0.989 52 HG3 PRO 10 2HG PRO 10 -4.568 -24.905 -1.383 53 HD2 PRO 10 1HD PRO 10 -5.628 -24.660 1.097 54 HD3 PRO 10 2HD PRO 10 -3.952 -25.177 0.821 55 H SER 11 H SER 11 -3.690 -20.189 -1.334 56 HA SER 11 HA SER 11 -6.311 -19.140 -0.679 57 HB2 SER 11 1HB SER 11 -5.157 -17.990 1.032 58 HB3 SER 11 2HB SER 11 -3.758 -17.689 0.001 59 HG SER 11 HG SER 11 -6.213 -16.650 -0.815 60 H THR 12 H THR 12 -7.154 -17.798 -2.260 61 HA THR 12 HA THR 12 -5.946 -18.041 -4.852 62 HB THR 12 HB THR 12 -8.371 -16.383 -4.157 63 HG1 THR 12 1HG THR 12 -8.242 -19.161 -4.798 64 HG21 THR 12 1HG2 THR 12 -7.604 -15.993 -6.391 65 HG22 THR 12 2HG2 THR 12 -9.018 -17.042 -6.491 66 HG23 THR 12 3HG2 THR 12 -7.401 -17.720 -6.681 67 H GLN 13 H GLN 13 -4.015 -16.768 -3.813 68 HA GLN 13 HA GLN 13 -4.412 -13.897 -4.336 69 HB2 GLN 13 1HB GLN 13 -2.734 -15.377 -2.374 70 HB3 GLN 13 2HB GLN 13 -2.085 -13.882 -3.034 71 HG2 GLN 13 1HG GLN 13 -4.814 -14.048 -1.797 72 HG3 GLN 13 2HG GLN 13 -3.360 -13.715 -0.858 73 HE21 GLN 13 1HE2 GLN 13 -5.568 -12.516 -3.252 74 HE22 GLN 13 2HE2 GLN 13 -5.030 -10.875 -3.222 75 H ASN 14 H ASN 14 -3.116 -12.857 -5.781 76 HA ASN 14 HA ASN 14 -1.132 -14.509 -7.203 77 HB2 ASN 14 1HB ASN 14 -2.819 -12.314 -8.420 78 HB3 ASN 14 2HB ASN 14 -1.728 -13.406 -9.268 79 HD21 ASN 14 1HD2 ASN 14 -4.848 -12.794 -8.772 80 HD22 ASN 14 2HD2 ASN 14 -5.514 -14.382 -8.925 81 H GLY 15 H GLY 15 0.398 -13.614 -5.633 82 HA2 GLY 15 1HA GLY 15 2.118 -12.189 -5.104 83 HA3 GLY 15 2HA GLY 15 1.902 -11.501 -6.707 84 HA PRO 16 HA PRO 16 0.264 -8.743 -3.106 85 HB2 PRO 16 1HB PRO 16 2.508 -7.390 -2.394 86 HB3 PRO 16 2HB PRO 16 1.989 -8.878 -1.594 87 HG2 PRO 16 1HG PRO 16 4.058 -8.494 -3.723 88 HG3 PRO 16 2HG PRO 16 4.126 -9.502 -2.266 89 HD2 PRO 16 1HD PRO 16 3.588 -10.519 -4.717 90 HD3 PRO 16 2HD PRO 16 2.897 -11.197 -3.229 91 H VAL 17 H VAL 17 -0.380 -6.674 -3.547 92 HA VAL 17 HA VAL 17 0.474 -5.571 -6.107 93 HB VAL 17 HB VAL 17 -1.784 -4.758 -4.272 94 HG11 VAL 17 1HG1 VAL 17 -1.363 -3.849 -7.106 95 HG12 VAL 17 2HG1 VAL 17 -2.490 -3.215 -5.904 96 HG13 VAL 17 3HG1 VAL 17 -0.757 -2.939 -5.722 97 HG21 VAL 17 1HG2 VAL 17 -1.562 -6.586 -6.604 98 HG22 VAL 17 2HG2 VAL 17 -2.550 -6.723 -5.150 99 HG23 VAL 17 3HG2 VAL 17 -3.030 -5.622 -6.442 100 H PHE 18 H PHE 18 1.479 -3.635 -6.376 101 HA PHE 18 HA PHE 18 2.266 -2.202 -3.924 102 HB2 PHE 18 1HB PHE 18 3.847 -2.538 -6.481 103 HB3 PHE 18 2HB PHE 18 4.356 -1.592 -5.087 104 HD1 PHE 18 2HD PHE 18 3.780 -4.978 -6.375 105 HD2 PHE 18 1HD PHE 18 5.214 -2.643 -3.117 106 HE1 PHE 18 2HE PHE 18 4.824 -6.982 -5.402 107 HE2 PHE 18 1HE PHE 18 6.261 -4.644 -2.140 108 HZ PHE 18 HZ PHE 18 6.066 -6.817 -3.281 109 H ALA 19 H ALA 19 1.910 -0.060 -3.830 110 HA ALA 19 HA ALA 19 1.105 1.327 -6.298 111 HB1 ALA 19 1HB ALA 19 -0.254 2.293 -3.907 112 HB2 ALA 19 2HB ALA 19 -0.899 1.911 -5.504 113 HB3 ALA 19 3HB ALA 19 -0.663 0.627 -4.318 114 H LYS 20 H LYS 20 2.253 3.102 -6.658 115 HA LYS 20 HA LYS 20 4.046 4.106 -4.625 116 HB2 LYS 20 1HB LYS 20 4.941 3.943 -6.836 117 HB3 LYS 20 2HB LYS 20 3.590 4.839 -7.517 118 HG2 LYS 20 1HG LYS 20 4.386 6.868 -6.783 119 HG3 LYS 20 2HG LYS 20 5.336 6.144 -5.483 120 HD2 LYS 20 1HD LYS 20 6.007 5.586 -8.348 121 HD3 LYS 20 2HD LYS 20 6.553 7.076 -7.574 122 HE2 LYS 20 1HE LYS 20 7.822 5.896 -5.975 123 HE3 LYS 20 2HE LYS 20 7.036 4.367 -6.365 124 HZ1 LYS 20 1HZ LYS 20 8.449 5.679 -8.542 125 HZ2 LYS 20 2HZ LYS 20 8.359 4.038 -8.143 126 HZ3 LYS 20 3HZ LYS 20 9.416 5.056 -7.302 127 H ALA 21 H ALA 21 3.953 6.061 -3.605 128 HA ALA 21 HA ALA 21 1.372 7.331 -3.472 129 HB1 ALA 21 1HB ALA 21 2.607 7.014 -1.429 130 HB2 ALA 21 2HB ALA 21 3.966 7.942 -2.064 131 HB3 ALA 21 3HB ALA 21 2.429 8.742 -1.735 132 H ILE 22 H ILE 22 0.825 8.629 -5.116 133 HA ILE 22 HA ILE 22 2.757 10.198 -6.551 134 HB ILE 22 HB ILE 22 0.720 11.151 -7.694 135 HG12 ILE 22 1HG1 ILE 22 -0.768 8.977 -6.221 136 HG13 ILE 22 2HG1 ILE 22 -0.775 10.655 -5.690 137 HG21 ILE 22 1HG2 ILE 22 1.690 8.391 -7.726 138 HG22 ILE 22 2HG2 ILE 22 0.094 8.604 -8.444 139 HG23 ILE 22 3HG2 ILE 22 1.464 9.532 -9.052 140 HD11 ILE 22 1HD1 ILE 22 -1.513 11.054 -8.198 141 HD12 ILE 22 2HD1 ILE 22 -2.085 9.394 -8.023 142 HD13 ILE 22 3HD1 ILE 22 -2.669 10.649 -6.929 143 H GLN 23 H GLN 23 0.657 10.685 -3.851 144 HA GLN 23 HA GLN 23 1.421 13.529 -3.804 145 HB2 GLN 23 1HB GLN 23 -1.207 12.246 -3.087 146 HB3 GLN 23 2HB GLN 23 -0.756 13.835 -2.484 147 HG2 GLN 23 1HG GLN 23 -0.656 13.269 -5.412 148 HG3 GLN 23 2HG GLN 23 -2.195 13.621 -4.628 149 HE21 GLN 23 1HE2 GLN 23 -2.714 15.675 -4.203 150 HE22 GLN 23 2HE2 GLN 23 -1.674 17.031 -4.458 151 H LYS 24 H LYS 24 2.000 14.406 -1.828 152 HA LYS 24 HA LYS 24 3.184 12.638 0.036 153 HB2 LYS 24 1HB LYS 24 4.098 14.855 -0.334 154 HB3 LYS 24 2HB LYS 24 2.603 15.599 0.217 155 HG2 LYS 24 1HG LYS 24 3.001 15.052 2.439 156 HG3 LYS 24 2HG LYS 24 4.173 13.801 2.021 157 HD2 LYS 24 1HD LYS 24 5.584 15.470 2.712 158 HD3 LYS 24 2HD LYS 24 5.482 15.840 0.989 159 HE2 LYS 24 1HE LYS 24 3.515 17.072 2.862 160 HE3 LYS 24 2HE LYS 24 5.154 17.717 2.797 161 HZ1 LYS 24 1HZ LYS 24 3.549 17.331 0.346 162 HZ2 LYS 24 2HZ LYS 24 4.908 18.311 0.571 163 HZ3 LYS 24 3HZ LYS 24 3.429 18.746 1.266 164 H ARG 25 H ARG 25 2.267 11.547 1.635 165 HA ARG 25 HA ARG 25 -0.291 12.529 2.718 166 HB2 ARG 25 1HB ARG 25 -0.037 10.213 1.472 167 HB3 ARG 25 2HB ARG 25 0.570 9.687 3.036 168 HG2 ARG 25 1HG ARG 25 -2.120 10.935 2.515 169 HG3 ARG 25 2HG ARG 25 -1.804 9.224 2.808 170 HD2 ARG 25 1HD ARG 25 -0.813 9.904 5.022 171 HD3 ARG 25 2HD ARG 25 -1.444 11.522 4.719 172 HE ARG 25 HE ARG 25 -3.488 10.767 5.371 173 HH11 ARG 25 2HH1 ARG 25 -1.590 8.039 4.332 174 HH12 ARG 25 1HH1 ARG 25 -2.797 6.871 4.760 175 HH21 ARG 25 2HH2 ARG 25 -5.084 9.239 5.938 176 HH22 ARG 25 1HH2 ARG 25 -4.784 7.555 5.672 177 H VAL 26 H VAL 26 -0.258 13.218 4.746 178 HA VAL 26 HA VAL 26 1.756 12.109 6.587 179 HB VAL 26 HB VAL 26 1.722 14.429 7.682 180 HG11 VAL 26 1HG1 VAL 26 3.187 13.428 5.383 181 HG12 VAL 26 2HG1 VAL 26 3.181 15.191 5.465 182 HG13 VAL 26 3HG1 VAL 26 3.775 14.245 6.830 183 HG21 VAL 26 1HG2 VAL 26 -0.166 14.913 5.702 184 HG22 VAL 26 2HG2 VAL 26 0.603 16.111 6.742 185 HG23 VAL 26 3HG2 VAL 26 1.280 15.760 5.152 186 HA PRO 27 HA PRO 27 -1.933 11.243 8.929 187 HB2 PRO 27 1HB PRO 27 -0.659 10.120 11.048 188 HB3 PRO 27 2HB PRO 27 -0.909 9.272 9.517 189 HG2 PRO 27 1HG PRO 27 1.530 10.687 10.523 190 HG3 PRO 27 2HG PRO 27 1.406 9.128 9.688 191 HD2 PRO 27 1HD PRO 27 2.131 11.407 8.418 192 HD3 PRO 27 2HD PRO 27 1.222 10.112 7.612 193 H CYS 28 H CYS 28 -3.013 12.710 10.073 194 HA CYS 28 HA CYS 28 -1.962 14.987 11.226 195 HB2 CYS 28 1HB CYS 28 -4.537 13.516 11.493 196 HB3 CYS 28 2HB CYS 28 -4.188 14.765 12.682 197 HG CYS 28 HG CYS 28 -3.490 16.233 9.959 198 H ALA 29 H ALA 29 -1.527 15.630 13.356 199 HA ALA 29 HA ALA 29 0.052 14.039 14.905 200 HB1 ALA 29 1HB ALA 29 -0.237 16.494 15.157 201 HB2 ALA 29 2HB ALA 29 -1.749 16.186 16.012 202 HB3 ALA 29 3HB ALA 29 -0.223 15.619 16.688 203 H TYR 30 H TYR 30 -3.410 14.657 15.500 204 HA TYR 30 HA TYR 30 -3.626 12.837 17.649 205 HB2 TYR 30 1HB TYR 30 -5.872 13.698 15.824 206 HB3 TYR 30 2HB TYR 30 -5.992 13.172 17.499 207 HD1 TYR 30 1HD TYR 30 -4.899 15.918 15.290 208 HD2 TYR 30 2HD TYR 30 -5.623 14.694 19.300 209 HE1 TYR 30 1HE TYR 30 -4.725 18.258 16.029 210 HE2 TYR 30 2HE TYR 30 -5.451 17.030 20.050 211 HH TYR 30 HH TYR 30 -4.308 19.544 17.986 212 H ASP 31 H ASP 31 -3.904 12.485 14.185 213 HA ASP 31 HA ASP 31 -5.037 9.839 14.317 214 HB2 ASP 31 1HB ASP 31 -5.253 11.617 12.416 215 HB3 ASP 31 2HB ASP 31 -3.710 10.962 11.872 216 H LYS 32 H LYS 32 -4.000 7.931 14.286 217 HA LYS 32 HA LYS 32 -1.082 7.950 13.888 218 HB2 LYS 32 1HB LYS 32 -2.678 6.559 16.035 219 HB3 LYS 32 2HB LYS 32 -1.035 6.085 15.624 220 HG2 LYS 32 1HG LYS 32 -1.514 8.946 16.220 221 HG3 LYS 32 2HG LYS 32 -1.583 7.806 17.566 222 HD2 LYS 32 1HD LYS 32 0.645 8.209 17.625 223 HD3 LYS 32 2HD LYS 32 0.669 6.957 16.381 224 HE2 LYS 32 1HE LYS 32 0.257 9.068 14.814 225 HE3 LYS 32 2HE LYS 32 1.069 9.889 16.147 226 HZ1 LYS 32 1HZ LYS 32 2.827 9.287 14.832 227 HZ2 LYS 32 2HZ LYS 32 2.113 7.843 14.316 228 HZ3 LYS 32 3HZ LYS 32 2.761 7.956 15.874 229 H THR 33 H THR 33 -4.131 6.329 13.479 230 HA THR 33 HA THR 33 -3.159 3.855 12.516 231 HB THR 33 HB THR 33 -5.430 3.604 11.498 232 HG1 THR 33 1HG THR 33 -6.932 5.337 12.149 233 HG21 THR 33 1HG2 THR 33 -6.520 4.253 13.937 234 HG22 THR 33 2HG2 THR 33 -4.810 4.052 14.317 235 HG23 THR 33 3HG2 THR 33 -5.704 2.739 13.550 236 H ALA 34 H ALA 34 -3.677 6.962 11.016 237 HA ALA 34 HA ALA 34 -3.666 6.134 8.320 238 HB1 ALA 34 1HB ALA 34 -3.717 8.601 9.753 239 HB2 ALA 34 2HB ALA 34 -2.511 8.702 8.470 240 HB3 ALA 34 3HB ALA 34 -4.178 8.278 8.081 241 H LEU 35 H LEU 35 -2.067 5.574 6.972 242 HA LEU 35 HA LEU 35 0.573 5.165 8.023 243 HB2 LEU 35 1HB LEU 35 -0.838 3.820 6.233 244 HB3 LEU 35 2HB LEU 35 -0.012 4.908 5.119 245 HG LEU 35 HG LEU 35 1.460 3.174 7.091 246 HD11 LEU 35 1HD1 LEU 35 0.205 2.480 4.519 247 HD12 LEU 35 2HD1 LEU 35 0.645 1.456 5.885 248 HD13 LEU 35 3HD1 LEU 35 1.878 1.959 4.728 249 HD21 LEU 35 1HD2 LEU 35 2.255 4.686 4.609 250 HD22 LEU 35 2HD2 LEU 35 3.295 3.523 5.432 251 HD23 LEU 35 3HD2 LEU 35 2.777 4.989 6.266 252 H ALA 36 H ALA 36 2.403 6.298 7.635 253 HA ALA 36 HA ALA 36 2.094 8.881 6.299 254 HB1 ALA 36 1HB ALA 36 4.007 7.789 8.315 255 HB2 ALA 36 2HB ALA 36 4.468 9.181 7.334 256 HB3 ALA 36 3HB ALA 36 3.039 9.263 8.365 257 H LEU 37 H LEU 37 2.999 9.343 4.394 258 HA LEU 37 HA LEU 37 5.243 7.750 3.420 259 HB2 LEU 37 1HB LEU 37 2.809 8.218 1.713 260 HB3 LEU 37 2HB LEU 37 4.224 7.240 1.328 261 HG LEU 37 HG LEU 37 2.451 6.511 3.631 262 HD11 LEU 37 1HD1 LEU 37 1.970 5.991 0.712 263 HD12 LEU 37 2HD1 LEU 37 0.859 6.662 1.906 264 HD13 LEU 37 3HD1 LEU 37 1.311 4.959 1.982 265 HD21 LEU 37 1HD2 LEU 37 4.283 5.150 3.709 266 HD22 LEU 37 2HD2 LEU 37 4.548 5.216 1.966 267 HD23 LEU 37 3HD2 LEU 37 3.258 4.210 2.625 268 H GLU 38 H GLU 38 6.149 8.690 1.370 269 HA GLU 38 HA GLU 38 5.647 11.575 1.148 270 HB2 GLU 38 1HB GLU 38 8.008 12.070 1.137 271 HB3 GLU 38 2HB GLU 38 7.618 11.192 2.609 272 HG2 GLU 38 1HG GLU 38 8.332 9.111 1.192 273 HG3 GLU 38 2HG GLU 38 9.193 10.320 0.242 274 H VAL 39 H VAL 39 5.962 12.460 -0.881 275 HA VAL 39 HA VAL 39 5.332 11.127 -3.123 276 HB VAL 39 HB VAL 39 7.323 13.391 -2.951 277 HG11 VAL 39 1HG1 VAL 39 7.365 12.052 -5.097 278 HG12 VAL 39 2HG1 VAL 39 5.710 12.601 -5.364 279 HG13 VAL 39 3HG1 VAL 39 7.024 13.774 -5.264 280 HG21 VAL 39 1HG2 VAL 39 4.370 13.435 -3.561 281 HG22 VAL 39 2HG2 VAL 39 5.079 13.827 -1.994 282 HG23 VAL 39 3HG2 VAL 39 5.440 14.828 -3.401 283 H GLY 40 H GLY 40 6.115 9.267 -3.878 284 HA2 GLY 40 1HA GLY 40 7.750 8.129 -5.182 285 HA3 GLY 40 2HA GLY 40 8.996 9.103 -4.415 286 H ASP 41 H ASP 41 6.385 7.253 -2.896 287 HA ASP 41 HA ASP 41 8.430 5.514 -1.683 288 HB2 ASP 41 1HB ASP 41 6.272 7.108 -0.398 289 HB3 ASP 41 2HB ASP 41 6.590 5.504 0.258 290 H ILE 42 H ILE 42 8.099 3.416 -1.996 291 HA ILE 42 HA ILE 42 5.718 2.511 -3.333 292 HB ILE 42 HB ILE 42 8.041 0.889 -2.285 293 HG12 ILE 42 1HG1 ILE 42 8.714 2.608 -3.937 294 HG13 ILE 42 2HG1 ILE 42 8.914 0.972 -4.556 295 HG21 ILE 42 1HG2 ILE 42 6.818 -0.295 -4.536 296 HG22 ILE 42 2HG2 ILE 42 6.864 -0.894 -2.879 297 HG23 ILE 42 3HG2 ILE 42 5.532 0.133 -3.408 298 HD11 ILE 42 1HD1 ILE 42 6.541 2.713 -5.162 299 HD12 ILE 42 2HD1 ILE 42 7.972 2.592 -6.186 300 HD13 ILE 42 3HD1 ILE 42 6.964 1.172 -5.908 301 H VAL 43 H VAL 43 3.915 1.930 -2.339 302 HA VAL 43 HA VAL 43 4.014 1.169 0.489 303 HB VAL 43 HB VAL 43 1.596 1.815 -1.203 304 HG11 VAL 43 1HG1 VAL 43 0.716 0.630 0.548 305 HG12 VAL 43 2HG1 VAL 43 2.005 1.098 1.658 306 HG13 VAL 43 3HG1 VAL 43 0.734 2.250 1.244 307 HG21 VAL 43 1HG2 VAL 43 1.649 3.938 0.238 308 HG22 VAL 43 2HG2 VAL 43 3.336 3.527 0.543 309 HG23 VAL 43 3HG2 VAL 43 2.785 3.825 -1.106 310 H LYS 44 H LYS 44 4.475 -0.963 0.611 311 HA LYS 44 HA LYS 44 3.311 -2.876 -1.207 312 HB2 LYS 44 1HB LYS 44 5.586 -3.203 -0.370 313 HB3 LYS 44 2HB LYS 44 4.984 -3.270 1.281 314 HG2 LYS 44 1HG LYS 44 3.522 -5.236 0.278 315 HG3 LYS 44 2HG LYS 44 4.859 -5.303 -0.873 316 HD2 LYS 44 1HD LYS 44 6.443 -5.659 0.877 317 HD3 LYS 44 2HD LYS 44 5.233 -5.326 2.118 318 HE2 LYS 44 1HE LYS 44 3.967 -7.326 1.052 319 HE3 LYS 44 2HE LYS 44 5.537 -7.731 0.360 320 HZ1 LYS 44 1HZ LYS 44 4.608 -7.965 3.082 321 HZ2 LYS 44 2HZ LYS 44 6.151 -7.289 2.939 322 HZ3 LYS 44 3HZ LYS 44 5.832 -8.813 2.279 323 H VAL 45 H VAL 45 1.216 -3.337 -0.990 324 HA VAL 45 HA VAL 45 0.116 -3.656 1.722 325 HB VAL 45 HB VAL 45 -1.215 -2.057 0.682 326 HG11 VAL 45 1HG1 VAL 45 -2.147 -2.622 -1.708 327 HG12 VAL 45 2HG1 VAL 45 -0.551 -1.895 -1.508 328 HG13 VAL 45 3HG1 VAL 45 -0.702 -3.629 -1.797 329 HG21 VAL 45 1HG2 VAL 45 -2.677 -4.559 -0.120 330 HG22 VAL 45 2HG2 VAL 45 -2.458 -4.091 1.566 331 HG23 VAL 45 3HG2 VAL 45 -3.349 -3.037 0.467 332 H THR 46 H THR 46 -0.667 -5.572 2.377 333 HA THR 46 HA THR 46 -0.643 -7.780 0.427 334 HB THR 46 HB THR 46 -0.253 -9.301 2.292 335 HG1 THR 46 1HG THR 46 0.151 -7.138 4.047 336 HG21 THR 46 1HG2 THR 46 2.010 -8.638 2.864 337 HG22 THR 46 2HG2 THR 46 1.667 -6.972 2.396 338 HG23 THR 46 3HG2 THR 46 1.684 -8.245 1.176 339 H ARG 47 H ARG 47 -2.496 -6.153 2.900 340 HA ARG 47 HA ARG 47 -4.795 -7.871 2.234 341 HB2 ARG 47 1HB ARG 47 -3.785 -8.084 4.600 342 HB3 ARG 47 2HB ARG 47 -4.487 -6.498 4.891 343 HG2 ARG 47 1HG ARG 47 -6.107 -7.934 5.693 344 HG3 ARG 47 2HG ARG 47 -6.683 -7.571 4.065 345 HD2 ARG 47 1HD ARG 47 -6.911 -9.856 4.107 346 HD3 ARG 47 2HD ARG 47 -5.292 -9.695 3.428 347 HE ARG 47 HE ARG 47 -4.450 -10.689 5.307 348 HH11 ARG 47 2HH1 ARG 47 -7.695 -9.608 5.955 349 HH12 ARG 47 1HH1 ARG 47 -7.779 -10.373 7.507 350 HH21 ARG 47 2HH2 ARG 47 -4.549 -11.701 7.348 351 HH22 ARG 47 1HH2 ARG 47 -5.989 -11.563 8.299 352 H MET 48 H MET 48 -6.448 -6.829 1.344 353 HA MET 48 HA MET 48 -6.637 -3.915 1.738 354 HB2 MET 48 1HB MET 48 -7.411 -5.577 -0.664 355 HB3 MET 48 2HB MET 48 -7.758 -3.862 -0.490 356 HG2 MET 48 1HG MET 48 -5.423 -3.328 -0.479 357 HG3 MET 48 2HG MET 48 -4.990 -5.036 -0.445 358 HE1 MET 48 1HE MET 48 -5.572 -2.066 -3.276 359 HE2 MET 48 2HE MET 48 -4.331 -2.473 -2.090 360 HE3 MET 48 3HE MET 48 -4.142 -2.973 -3.771 361 H ASN 49 H ASN 49 -8.329 -3.302 2.899 362 HA ASN 49 HA ASN 49 -10.470 -5.106 3.510 363 HB2 ASN 49 1HB ASN 49 -10.318 -2.153 4.137 364 HB3 ASN 49 2HB ASN 49 -11.296 -3.368 4.954 365 HD21 ASN 49 1HD2 ASN 49 -9.029 -1.478 5.731 366 HD22 ASN 49 2HD2 ASN 49 -7.947 -2.490 6.620 367 H ILE 50 H ILE 50 -12.645 -4.927 2.958 368 HA ILE 50 HA ILE 50 -13.222 -4.142 0.332 369 HB ILE 50 HB ILE 50 -15.138 -4.623 2.616 370 HG12 ILE 50 1HG1 ILE 50 -14.554 -6.542 0.386 371 HG13 ILE 50 2HG1 ILE 50 -13.475 -6.458 1.774 372 HG21 ILE 50 1HG2 ILE 50 -16.021 -3.316 0.634 373 HG22 ILE 50 2HG2 ILE 50 -15.755 -4.774 -0.321 374 HG23 ILE 50 3HG2 ILE 50 -16.881 -4.803 1.035 375 HD11 ILE 50 1HD1 ILE 50 -15.143 -7.179 3.248 376 HD12 ILE 50 2HD1 ILE 50 -16.427 -6.873 2.078 377 HD13 ILE 50 3HD1 ILE 50 -15.304 -8.209 1.826 378 H ASN 51 H ASN 51 -13.984 -2.565 3.423 379 HA ASN 51 HA ASN 51 -15.537 -0.479 2.673 380 HB2 ASN 51 1HB ASN 51 -14.908 0.588 4.623 381 HB3 ASN 51 2HB ASN 51 -14.376 -1.056 4.966 382 HD21 ASN 51 1HD2 ASN 51 -13.504 1.991 5.359 383 HD22 ASN 51 2HD2 ASN 51 -11.784 1.859 5.270 384 H GLY 52 H GLY 52 -12.022 -0.689 2.271 385 HA2 GLY 52 1HA GLY 52 -11.552 0.439 -0.053 386 HA3 GLY 52 2HA GLY 52 -12.021 1.872 0.850 387 H GLN 53 H GLN 53 -10.837 1.346 3.303 388 HA GLN 53 HA GLN 53 -8.147 2.103 2.758 389 HB2 GLN 53 1HB GLN 53 -9.755 1.609 5.231 390 HB3 GLN 53 2HB GLN 53 -8.005 1.729 5.358 391 HG2 GLN 53 1HG GLN 53 -8.542 3.899 5.707 392 HG3 GLN 53 2HG GLN 53 -8.413 3.925 3.949 393 HE21 GLN 53 1HE2 GLN 53 -10.041 5.421 6.052 394 HE22 GLN 53 2HE2 GLN 53 -11.651 5.378 5.426 395 H TRP 54 H TRP 54 -6.420 0.862 2.477 396 HA TRP 54 HA TRP 54 -6.637 -1.996 3.109 397 HB2 TRP 54 1HB TRP 54 -4.541 -0.679 1.381 398 HB3 TRP 54 2HB TRP 54 -4.952 -2.390 1.464 399 HD1 TRP 54 HD TRP 54 -8.170 -1.930 1.228 400 HE1 TRP 54 1HE TRP 54 -9.136 -1.339 -1.084 401 HE3 TRP 54 3HE TRP 54 -3.918 -0.175 -1.004 402 HZ2 TRP 54 2HZ TRP 54 -8.217 -0.272 -3.530 403 HZ3 TRP 54 3HZ TRP 54 -4.047 0.611 -3.332 404 HH2 TRP 54 HH TRP 54 -6.153 0.562 -4.567 405 H GLU 55 H GLU 55 -4.460 -3.036 3.678 406 HA GLU 55 HA GLU 55 -3.137 -1.357 5.705 407 HB2 GLU 55 1HB GLU 55 -4.534 -3.481 6.341 408 HB3 GLU 55 2HB GLU 55 -3.103 -4.350 5.804 409 HG2 GLU 55 1HG GLU 55 -1.745 -3.219 7.439 410 HG3 GLU 55 2HG GLU 55 -3.109 -2.214 7.922 411 H GLY 56 H GLY 56 -1.166 -0.751 5.116 412 HA2 GLY 56 1HA GLY 56 0.536 -2.720 3.725 413 HA3 GLY 56 2HA GLY 56 0.450 -1.054 3.174 414 H GLU 57 H GLU 57 2.854 -2.265 3.874 415 HA GLU 57 HA GLU 57 3.524 -0.857 6.375 416 HB2 GLU 57 1HB GLU 57 3.697 -3.376 6.448 417 HB3 GLU 57 2HB GLU 57 4.985 -3.250 5.258 418 HG2 GLU 57 1HG GLU 57 5.212 -1.647 7.746 419 HG3 GLU 57 2HG GLU 57 5.487 -3.386 7.838 420 H VAL 58 H VAL 58 4.891 0.783 6.172 421 HA VAL 58 HA VAL 58 6.923 0.743 4.075 422 HB VAL 58 HB VAL 58 4.919 2.980 4.395 423 HG11 VAL 58 1HG1 VAL 58 7.654 3.071 3.563 424 HG12 VAL 58 2HG1 VAL 58 6.608 3.445 2.192 425 HG13 VAL 58 3HG1 VAL 58 6.483 4.384 3.680 426 HG21 VAL 58 1HG2 VAL 58 4.494 0.809 2.980 427 HG22 VAL 58 2HG2 VAL 58 4.054 2.396 2.349 428 HG23 VAL 58 3HG2 VAL 58 5.546 1.619 1.818 429 H ASN 59 H ASN 59 8.804 1.673 4.678 430 HA ASN 59 HA ASN 59 10.392 2.416 6.143 431 HB2 ASN 59 1HB ASN 59 8.360 4.577 6.723 432 HB3 ASN 59 2HB ASN 59 10.113 4.698 6.851 433 HD21 ASN 59 1HD2 ASN 59 11.223 4.022 4.696 434 HD22 ASN 59 2HD2 ASN 59 10.579 4.784 3.286 435 H GLY 60 H GLY 60 9.081 0.371 7.304 436 HA2 GLY 60 1HA GLY 60 8.584 -0.598 9.325 437 HA3 GLY 60 2HA GLY 60 9.594 0.664 10.015 438 H ARG 61 H ARG 61 6.486 0.925 8.323 439 HA ARG 61 HA ARG 61 5.183 1.693 10.821 440 HB2 ARG 61 1HB ARG 61 5.930 3.821 10.023 441 HB3 ARG 61 2HB ARG 61 5.395 3.463 8.387 442 HG2 ARG 61 1HG ARG 61 3.751 4.885 9.149 443 HG3 ARG 61 2HG ARG 61 3.043 3.297 9.452 444 HD2 ARG 61 1HD ARG 61 2.648 4.316 11.465 445 HD3 ARG 61 2HD ARG 61 4.216 3.577 11.785 446 HE ARG 61 HE ARG 61 4.307 6.290 10.783 447 HH11 ARG 61 2HH1 ARG 61 4.249 4.212 13.576 448 HH12 ARG 61 1HH1 ARG 61 4.944 5.395 14.633 449 HH21 ARG 61 2HH2 ARG 61 5.224 7.856 12.165 450 HH22 ARG 61 1HH2 ARG 61 5.498 7.468 13.830 451 H LYS 62 H LYS 62 3.012 1.263 10.878 452 HA LYS 62 HA LYS 62 1.832 0.116 8.433 453 HB2 LYS 62 1HB LYS 62 1.795 -0.884 11.261 454 HB3 LYS 62 2HB LYS 62 0.472 -1.278 10.172 455 HG2 LYS 62 1HG LYS 62 3.242 -1.769 9.227 456 HG3 LYS 62 2HG LYS 62 2.570 -2.853 10.448 457 HD2 LYS 62 1HD LYS 62 0.921 -2.203 8.053 458 HD3 LYS 62 2HD LYS 62 2.267 -3.331 7.871 459 HE2 LYS 62 1HE LYS 62 0.264 -4.574 8.345 460 HE3 LYS 62 2HE LYS 62 1.339 -4.667 9.739 461 HZ1 LYS 62 1HZ LYS 62 0.012 -3.197 10.947 462 HZ2 LYS 62 2HZ LYS 62 -1.104 -4.209 10.178 463 HZ3 LYS 62 3HZ LYS 62 -0.820 -2.653 9.578 464 H GLY 63 H GLY 63 0.225 1.353 7.729 465 HA2 GLY 63 1HA GLY 63 -1.816 2.257 9.592 466 HA3 GLY 63 2HA GLY 63 -0.928 3.529 8.767 467 H LEU 64 H LEU 64 -3.634 3.357 8.458 468 HA LEU 64 HA LEU 64 -4.169 1.953 5.965 469 HB2 LEU 64 1HB LEU 64 -6.002 3.703 7.594 470 HB3 LEU 64 2HB LEU 64 -6.467 2.621 6.284 471 HG LEU 64 HG LEU 64 -5.268 1.677 8.883 472 HD11 LEU 64 1HD1 LEU 64 -7.505 1.093 9.578 473 HD12 LEU 64 2HD1 LEU 64 -8.174 1.752 8.085 474 HD13 LEU 64 3HD1 LEU 64 -7.414 2.825 9.260 475 HD21 LEU 64 1HD2 LEU 64 -6.189 -0.487 8.170 476 HD22 LEU 64 2HD2 LEU 64 -4.992 0.133 7.032 477 HD23 LEU 64 3HD2 LEU 64 -6.712 0.247 6.654 478 H PHE 65 H PHE 65 -4.018 2.870 4.032 479 HA PHE 65 HA PHE 65 -4.102 5.809 3.861 480 HB2 PHE 65 1HB PHE 65 -2.439 5.700 2.061 481 HB3 PHE 65 2HB PHE 65 -1.806 4.999 3.547 482 HD1 PHE 65 1HD PHE 65 -1.691 2.515 3.773 483 HD2 PHE 65 2HD PHE 65 -2.609 4.434 0.086 484 HE1 PHE 65 1HE PHE 65 -1.136 0.447 2.561 485 HE2 PHE 65 2HE PHE 65 -2.056 2.369 -1.131 486 HZ PHE 65 HZ PHE 65 -1.319 0.372 0.106 487 HA PRO 66 HA PRO 66 -7.351 5.251 0.943 488 HB2 PRO 66 1HB PRO 66 -7.185 7.639 -0.337 489 HB3 PRO 66 2HB PRO 66 -7.841 7.467 1.296 490 HG2 PRO 66 1HG PRO 66 -5.112 8.344 0.434 491 HG3 PRO 66 2HG PRO 66 -6.157 9.020 1.697 492 HD2 PRO 66 1HD PRO 66 -4.089 7.361 2.250 493 HD3 PRO 66 2HD PRO 66 -5.572 7.396 3.225 494 H PHE 67 H PHE 67 -7.368 4.110 -0.881 495 HA PHE 67 HA PHE 67 -5.114 3.671 -2.480 496 HB2 PHE 67 1HB PHE 67 -6.662 2.545 -4.035 497 HB3 PHE 67 2HB PHE 67 -6.959 2.075 -2.364 498 HD1 PHE 67 2HD PHE 67 -8.200 4.141 -5.155 499 HD2 PHE 67 1HD PHE 67 -9.038 2.488 -1.324 500 HE1 PHE 67 2HE PHE 67 -10.565 4.774 -5.403 501 HE2 PHE 67 1HE PHE 67 -11.404 3.117 -1.566 502 HZ PHE 67 HZ PHE 67 -12.170 4.262 -3.607 503 H THR 68 H THR 68 -7.313 6.264 -2.442 504 HA THR 68 HA THR 68 -7.107 7.020 -5.193 505 HB THR 68 HB THR 68 -8.058 9.199 -4.423 506 HG1 THR 68 1HG THR 68 -8.829 9.016 -2.112 507 HG21 THR 68 1HG2 THR 68 -10.148 7.974 -3.300 508 HG22 THR 68 2HG2 THR 68 -9.308 6.555 -3.925 509 HG23 THR 68 3HG2 THR 68 -9.792 7.848 -5.022 510 H HIS 69 H HIS 69 -5.368 7.807 -2.243 511 HA HIS 69 HA HIS 69 -3.904 10.001 -3.257 512 HB2 HIS 69 1HB HIS 69 -3.643 8.174 -0.912 513 HB3 HIS 69 2HB HIS 69 -2.258 9.169 -1.350 514 HD1 HIS 69 1HD HIS 69 -5.975 9.987 -1.155 515 HD2 HIS 69 2HD HIS 69 -2.312 11.302 0.300 516 HE1 HIS 69 1HE HIS 69 -6.490 12.034 0.213 517 HE2 HIS 69 2HE HIS 69 -4.249 12.861 1.012 518 H VAL 70 H VAL 70 -3.384 6.533 -3.327 519 HA VAL 70 HA VAL 70 -0.785 6.898 -4.628 520 HB VAL 70 HB VAL 70 -0.450 4.519 -4.342 521 HG11 VAL 70 1HG1 VAL 70 -1.166 6.250 -2.075 522 HG12 VAL 70 2HG1 VAL 70 -1.082 4.525 -1.713 523 HG13 VAL 70 3HG1 VAL 70 0.318 5.353 -2.396 524 HG21 VAL 70 1HG2 VAL 70 -2.437 3.419 -4.653 525 HG22 VAL 70 2HG2 VAL 70 -2.315 3.356 -2.894 526 HG23 VAL 70 3HG2 VAL 70 -3.350 4.559 -3.664 527 H LYS 71 H LYS 71 -0.345 5.303 -6.462 528 HA LYS 71 HA LYS 71 -2.704 5.030 -8.198 529 HB2 LYS 71 1HB LYS 71 -1.320 7.033 -8.806 530 HB3 LYS 71 2HB LYS 71 0.018 5.942 -9.143 531 HG2 LYS 71 1HG LYS 71 -0.929 6.371 -11.228 532 HG3 LYS 71 2HG LYS 71 -1.563 4.786 -10.778 533 HD2 LYS 71 1HD LYS 71 -3.416 5.970 -11.608 534 HD3 LYS 71 2HD LYS 71 -3.581 6.042 -9.852 535 HE2 LYS 71 1HE LYS 71 -4.044 8.218 -10.721 536 HE3 LYS 71 2HE LYS 71 -2.476 8.280 -9.918 537 HZ1 LYS 71 1HZ LYS 71 -1.373 8.520 -11.885 538 HZ2 LYS 71 2HZ LYS 71 -2.814 9.314 -12.276 539 HZ3 LYS 71 3HZ LYS 71 -2.556 7.725 -12.796 540 H ILE 72 H ILE 72 -2.946 3.045 -8.985 541 HA ILE 72 HA ILE 72 -1.019 1.006 -8.442 542 HB ILE 72 HB ILE 72 -3.488 0.837 -10.174 543 HG12 ILE 72 1HG1 ILE 72 -3.835 1.600 -7.775 544 HG13 ILE 72 2HG1 ILE 72 -4.699 0.142 -8.249 545 HG21 ILE 72 1HG2 ILE 72 -3.212 -1.622 -9.209 546 HG22 ILE 72 2HG2 ILE 72 -2.419 -1.101 -10.695 547 HG23 ILE 72 3HG2 ILE 72 -1.516 -1.141 -9.181 548 HD11 ILE 72 1HD1 ILE 72 -3.735 -0.059 -6.024 549 HD12 ILE 72 2HD1 ILE 72 -3.020 -1.223 -7.142 550 HD13 ILE 72 3HD1 ILE 72 -2.128 0.230 -6.690 551 H PHE 73 H PHE 73 0.858 1.254 -9.557 552 HA PHE 73 HA PHE 73 0.700 1.495 -12.481 553 HB2 PHE 73 1HB PHE 73 2.965 2.290 -12.440 554 HB3 PHE 73 2HB PHE 73 2.071 3.168 -11.204 555 HD1 PHE 73 1HD PHE 73 2.246 2.301 -8.796 556 HD2 PHE 73 2HD PHE 73 4.934 1.192 -11.905 557 HE1 PHE 73 1HE PHE 73 3.910 1.628 -7.113 558 HE2 PHE 73 2HE PHE 73 6.602 0.517 -10.227 559 HZ PHE 73 HZ PHE 73 6.091 0.734 -7.828 560 H ASP 74 H ASP 74 2.899 0.424 -13.422 561 HA ASP 74 HA ASP 74 2.739 -2.397 -12.605 562 HB2 ASP 74 1HB ASP 74 3.865 -2.644 -14.980 563 HB3 ASP 74 2HB ASP 74 2.124 -2.426 -14.825 564 HA PRO 75 HA PRO 75 6.934 -1.200 -11.208 565 HB2 PRO 75 1HB PRO 75 6.989 -2.993 -9.169 566 HB3 PRO 75 2HB PRO 75 6.240 -1.398 -9.027 567 HG2 PRO 75 1HG PRO 75 4.958 -4.054 -9.538 568 HG3 PRO 75 2HG PRO 75 4.432 -2.747 -8.461 569 HD2 PRO 75 1HD PRO 75 3.340 -3.147 -10.906 570 HD3 PRO 75 2HD PRO 75 3.498 -1.533 -10.183 571 H GLN 76 H GLN 76 5.616 -3.763 -12.810 572 HA GLN 76 HA GLN 76 7.825 -5.610 -12.524 573 HB2 GLN 76 1HB GLN 76 5.343 -5.609 -14.236 574 HB3 GLN 76 2HB GLN 76 6.583 -6.849 -14.365 575 HG2 GLN 76 1HG GLN 76 5.291 -6.225 -11.740 576 HG3 GLN 76 2HG GLN 76 4.527 -7.308 -12.903 577 HE21 GLN 76 1HE2 GLN 76 7.009 -6.918 -10.571 578 HE22 GLN 76 2HE2 GLN 76 7.632 -8.528 -10.636 579 H ASN 77 H ASN 77 8.726 -3.134 -13.367 580 HA ASN 77 HA ASN 77 9.410 -3.612 -16.193 581 HB2 ASN 77 1HB ASN 77 9.603 -0.955 -14.774 582 HB3 ASN 77 2HB ASN 77 9.654 -1.264 -16.507 583 HD21 ASN 77 1HD2 ASN 77 7.937 0.565 -15.220 584 HD22 ASN 77 2HD2 ASN 77 6.312 0.033 -15.469 585 HA PRO 78 HA PRO 78 13.308 -4.340 -13.867 586 HB2 PRO 78 1HB PRO 78 14.208 -6.255 -15.567 587 HB3 PRO 78 2HB PRO 78 13.103 -6.599 -14.231 588 HG2 PRO 78 1HG PRO 78 12.499 -6.208 -17.137 589 HG3 PRO 78 2HG PRO 78 11.853 -7.418 -16.013 590 HD2 PRO 78 1HD PRO 78 10.477 -5.191 -16.706 591 HD3 PRO 78 2HD PRO 78 10.331 -5.945 -15.105 592 H ASP 79 H ASP 79 12.444 -2.970 -16.771 593 HA ASP 79 HA ASP 79 15.120 -2.709 -17.859 594 HB2 ASP 79 1HB ASP 79 12.464 -1.555 -18.731 595 HB3 ASP 79 2HB ASP 79 13.983 -1.301 -19.588 596 H GLU 80 H GLU 80 12.662 -0.607 -16.395 597 HA GLU 80 HA GLU 80 14.794 1.358 -15.870 598 HB2 GLU 80 1HB GLU 80 11.964 1.765 -16.777 599 HB3 GLU 80 2HB GLU 80 12.784 3.018 -15.855 600 HG2 GLU 80 1HG GLU 80 13.999 1.847 -18.329 601 HG3 GLU 80 2HG GLU 80 12.832 3.166 -18.404 602 H ASN 81 H ASN 81 15.273 0.883 -13.787 603 HA ASN 81 HA ASN 81 13.238 1.481 -11.802 604 HB2 ASN 81 1HB ASN 81 13.936 -0.614 -10.497 605 HB3 ASN 81 2HB ASN 81 12.864 -0.846 -11.875 606 HD21 ASN 81 1HD2 ASN 81 13.362 -2.619 -12.922 607 HD22 ASN 81 2HD2 ASN 81 14.956 -3.198 -13.254 608 H GLU 82 H GLU 82 14.155 2.943 -10.534 609 HA GLU 82 HA GLU 82 16.893 3.498 -10.431 610 HB2 GLU 82 1HB GLU 82 14.866 4.954 -9.738 611 HB3 GLU 82 2HB GLU 82 15.028 4.169 -8.174 612 HG2 GLU 82 1HG GLU 82 16.172 6.276 -8.136 613 HG3 GLU 82 2HG GLU 82 17.350 4.968 -8.037 614 H SER 83 H SER 83 18.412 3.249 -8.711 615 HA SER 83 HA SER 83 18.485 0.624 -7.647 616 HB2 SER 83 1HB SER 83 20.583 1.606 -8.127 617 HB3 SER 83 2HB SER 83 20.194 3.072 -7.226 618 HG SER 83 HG SER 83 21.400 1.999 -5.810 619 H GLY 84 H GLY 84 17.890 3.803 -6.188 620 HA2 GLY 84 1HA GLY 84 16.022 3.041 -4.337 621 HA3 GLY 84 2HA GLY 84 17.561 2.741 -3.543 622 HA PRO 85 HA PRO 85 17.096 7.519 -4.356 623 HB2 PRO 85 1HB PRO 85 14.525 8.355 -4.607 624 HB3 PRO 85 2HB PRO 85 15.529 7.909 -5.991 625 HG2 PRO 85 1HG PRO 85 13.447 6.299 -4.565 626 HG3 PRO 85 2HG PRO 85 13.738 6.461 -6.307 627 HD2 PRO 85 1HD PRO 85 14.586 4.321 -4.880 628 HD3 PRO 85 2HD PRO 85 15.474 4.945 -6.285 629 H SER 86 H SER 86 17.697 7.272 -2.132 630 HA SER 86 HA SER 86 15.849 8.496 -0.328 631 HB2 SER 86 1HB SER 86 16.298 5.555 -0.208 632 HB3 SER 86 2HB SER 86 16.255 6.431 1.322 633 HG SER 86 HG SER 86 14.239 6.145 -0.622 634 H SER 87 H SER 87 16.863 9.385 1.442 635 HA SER 87 HA SER 87 19.651 9.796 1.258 636 HB2 SER 87 1HB SER 87 17.683 10.409 3.471 637 HB3 SER 87 2HB SER 87 19.368 10.927 3.493 638 HG SER 87 HG SER 87 18.876 11.948 1.412 639 H GLY 88 H GLY 88 21.309 8.663 2.032 640 HA2 GLY 88 1HA GLY 88 21.022 6.135 3.190 641 HA3 GLY 88 2HA GLY 88 22.508 7.074 3.173 Start of MODEL 13 1 H1 GLY 1 H GLY 1 35.053 -22.797 3.154 2 HA2 GLY 1 1HA GLY 1 34.150 -23.907 0.578 3 HA3 GLY 1 2HA GLY 1 33.091 -23.365 1.872 4 H SER 2 H SER 2 31.996 -22.125 0.223 5 HA SER 2 HA SER 2 33.473 -19.782 -0.741 6 HB2 SER 2 1HB SER 2 30.801 -20.942 -1.558 7 HB3 SER 2 2HB SER 2 31.457 -19.436 -2.200 8 HG SER 2 HG SER 2 33.360 -20.819 -2.746 9 H SER 3 H SER 3 32.758 -17.684 -0.366 10 HA SER 3 HA SER 3 31.936 -16.941 2.094 11 HB2 SER 3 1HB SER 3 31.185 -15.510 -0.467 12 HB3 SER 3 2HB SER 3 31.230 -14.789 1.141 13 HG SER 3 HG SER 3 33.152 -14.583 -0.346 14 H GLY 4 H GLY 4 29.767 -17.502 -0.670 15 HA2 GLY 4 1HA GLY 4 27.681 -18.458 1.043 16 HA3 GLY 4 2HA GLY 4 27.343 -16.842 0.442 17 H SER 5 H SER 5 26.034 -19.475 -0.056 18 HA SER 5 HA SER 5 26.592 -20.131 -2.796 19 HB2 SER 5 1HB SER 5 25.797 -21.937 -1.494 20 HB3 SER 5 2HB SER 5 24.467 -20.986 -0.836 21 HG SER 5 HG SER 5 24.590 -21.373 -3.603 22 H SER 6 H SER 6 25.649 -19.373 -4.593 23 HA SER 6 HA SER 6 23.937 -17.070 -4.388 24 HB2 SER 6 1HB SER 6 25.189 -18.552 -6.692 25 HB3 SER 6 2HB SER 6 24.014 -17.266 -6.960 26 HG SER 6 HG SER 6 26.174 -16.492 -6.965 27 H GLY 7 H GLY 7 21.786 -16.968 -4.632 28 HA2 GLY 7 1HA GLY 7 20.184 -19.260 -4.486 29 HA3 GLY 7 2HA GLY 7 19.610 -17.648 -4.888 30 HA PRO 8 HA PRO 8 19.493 -20.661 -8.578 31 HB2 PRO 8 1HB PRO 8 16.826 -21.167 -8.597 32 HB3 PRO 8 2HB PRO 8 17.987 -22.167 -7.716 33 HG2 PRO 8 1HG PRO 8 16.199 -19.994 -6.694 34 HG3 PRO 8 2HG PRO 8 16.560 -21.576 -5.978 35 HD2 PRO 8 1HD PRO 8 17.742 -19.290 -5.135 36 HD3 PRO 8 2HD PRO 8 18.569 -20.861 -5.103 37 H LEU 9 H LEU 9 18.335 -20.257 -10.613 38 HA LEU 9 HA LEU 9 18.383 -17.728 -11.526 39 HB2 LEU 9 1HB LEU 9 16.564 -19.987 -12.292 40 HB3 LEU 9 2HB LEU 9 16.529 -18.447 -13.147 41 HG LEU 9 HG LEU 9 17.860 -20.181 -14.299 42 HD11 LEU 9 1HD1 LEU 9 18.517 -17.507 -13.815 43 HD12 LEU 9 2HD1 LEU 9 19.051 -18.518 -15.157 44 HD13 LEU 9 3HD1 LEU 9 20.033 -18.401 -13.698 45 HD21 LEU 9 1HD2 LEU 9 18.671 -21.261 -12.188 46 HD22 LEU 9 2HD2 LEU 9 19.795 -19.914 -12.006 47 HD23 LEU 9 3HD2 LEU 9 19.916 -20.981 -13.405 48 HA PRO 10 HA PRO 10 15.204 -15.452 -9.485 49 HB2 PRO 10 1HB PRO 10 15.073 -13.349 -11.197 50 HB3 PRO 10 2HB PRO 10 16.402 -13.576 -10.054 51 HG2 PRO 10 1HG PRO 10 16.282 -14.225 -12.974 52 HG3 PRO 10 2HG PRO 10 17.594 -13.473 -12.048 53 HD2 PRO 10 1HD PRO 10 17.613 -16.092 -12.738 54 HD3 PRO 10 2HD PRO 10 18.350 -15.494 -11.237 55 H SER 11 H SER 11 13.023 -14.765 -9.759 56 HA SER 11 HA SER 11 11.604 -14.971 -12.192 57 HB2 SER 11 1HB SER 11 10.271 -16.991 -11.710 58 HB3 SER 11 2HB SER 11 11.981 -17.376 -11.904 59 HG SER 11 HG SER 11 11.952 -17.072 -9.460 60 H THR 12 H THR 12 9.563 -14.129 -12.020 61 HA THR 12 HA THR 12 8.778 -13.234 -9.327 62 HB THR 12 HB THR 12 7.509 -11.439 -10.450 63 HG1 THR 12 1HG THR 12 7.751 -11.160 -12.686 64 HG21 THR 12 1HG2 THR 12 9.908 -10.717 -11.735 65 HG22 THR 12 2HG2 THR 12 10.364 -11.715 -10.355 66 HG23 THR 12 3HG2 THR 12 9.378 -10.274 -10.113 67 H GLN 13 H GLN 13 6.819 -13.745 -8.519 68 HA GLN 13 HA GLN 13 4.817 -14.933 -10.297 69 HB2 GLN 13 1HB GLN 13 6.143 -16.234 -7.964 70 HB3 GLN 13 2HB GLN 13 4.435 -16.555 -8.234 71 HG2 GLN 13 1HG GLN 13 5.084 -17.171 -10.610 72 HG3 GLN 13 2HG GLN 13 6.752 -17.165 -10.037 73 HE21 GLN 13 1HE2 GLN 13 7.168 -19.304 -10.228 74 HE22 GLN 13 2HE2 GLN 13 6.364 -20.532 -9.317 75 H ASN 14 H ASN 14 2.746 -15.397 -8.881 76 HA ASN 14 HA ASN 14 1.569 -13.045 -8.198 77 HB2 ASN 14 1HB ASN 14 -0.018 -14.403 -6.795 78 HB3 ASN 14 2HB ASN 14 0.235 -15.026 -8.423 79 HD21 ASN 14 1HD2 ASN 14 1.558 -16.872 -8.700 80 HD22 ASN 14 2HD2 ASN 14 1.802 -17.988 -7.404 81 H GLY 15 H GLY 15 1.797 -11.584 -6.637 82 HA2 GLY 15 1HA GLY 15 2.637 -12.417 -3.969 83 HA3 GLY 15 2HA GLY 15 3.702 -11.304 -4.816 84 HA PRO 16 HA PRO 16 0.715 -8.760 -2.384 85 HB2 PRO 16 1HB PRO 16 2.578 -6.970 -1.551 86 HB3 PRO 16 2HB PRO 16 2.256 -8.486 -0.702 87 HG2 PRO 16 1HG PRO 16 4.444 -7.825 -2.635 88 HG3 PRO 16 2HG PRO 16 4.533 -8.726 -1.110 89 HD2 PRO 16 1HD PRO 16 4.467 -9.951 -3.524 90 HD3 PRO 16 2HD PRO 16 3.751 -10.671 -2.067 91 H VAL 17 H VAL 17 -0.071 -6.673 -2.837 92 HA VAL 17 HA VAL 17 0.599 -5.717 -5.501 93 HB VAL 17 HB VAL 17 -1.573 -4.798 -3.612 94 HG11 VAL 17 1HG1 VAL 17 -0.737 -3.964 -6.334 95 HG12 VAL 17 2HG1 VAL 17 -2.467 -4.053 -5.998 96 HG13 VAL 17 3HG1 VAL 17 -1.430 -3.014 -5.020 97 HG21 VAL 17 1HG2 VAL 17 -2.829 -6.502 -4.300 98 HG22 VAL 17 2HG2 VAL 17 -2.451 -6.177 -5.992 99 HG23 VAL 17 3HG2 VAL 17 -1.378 -7.192 -5.028 100 H PHE 18 H PHE 18 1.642 -3.868 -5.957 101 HA PHE 18 HA PHE 18 2.521 -2.222 -3.683 102 HB2 PHE 18 1HB PHE 18 3.761 -2.575 -6.420 103 HB3 PHE 18 2HB PHE 18 4.378 -1.506 -5.165 104 HD1 PHE 18 1HD PHE 18 5.096 -2.548 -2.962 105 HD2 PHE 18 2HD PHE 18 4.385 -4.816 -6.493 106 HE1 PHE 18 1HE PHE 18 6.422 -4.402 -2.034 107 HE2 PHE 18 2HE PHE 18 5.709 -6.674 -5.571 108 HZ PHE 18 HZ PHE 18 6.729 -6.468 -3.338 109 H ALA 19 H ALA 19 2.581 0.065 -3.910 110 HA ALA 19 HA ALA 19 1.094 1.214 -6.150 111 HB1 ALA 19 1HB ALA 19 0.047 2.616 -4.035 112 HB2 ALA 19 2HB ALA 19 -0.771 1.332 -4.927 113 HB3 ALA 19 3HB ALA 19 0.082 0.960 -3.429 114 H LYS 20 H LYS 20 2.087 2.974 -6.875 115 HA LYS 20 HA LYS 20 4.249 4.138 -5.333 116 HB2 LYS 20 1HB LYS 20 4.622 3.701 -7.695 117 HB3 LYS 20 2HB LYS 20 3.242 4.702 -8.128 118 HG2 LYS 20 1HG LYS 20 4.924 6.180 -8.512 119 HG3 LYS 20 2HG LYS 20 4.605 6.540 -6.814 120 HD2 LYS 20 1HD LYS 20 6.885 6.310 -6.763 121 HD3 LYS 20 2HD LYS 20 6.395 4.648 -6.423 122 HE2 LYS 20 1HE LYS 20 8.129 4.605 -8.077 123 HE3 LYS 20 2HE LYS 20 6.610 4.154 -8.851 124 HZ1 LYS 20 1HZ LYS 20 7.179 5.692 -10.347 125 HZ2 LYS 20 2HZ LYS 20 8.310 6.430 -9.329 126 HZ3 LYS 20 3HZ LYS 20 6.671 6.825 -9.198 127 H ALA 21 H ALA 21 3.919 5.756 -3.971 128 HA ALA 21 HA ALA 21 1.516 7.179 -3.727 129 HB1 ALA 21 1HB ALA 21 3.348 8.805 -2.513 130 HB2 ALA 21 2HB ALA 21 2.559 7.417 -1.762 131 HB3 ALA 21 3HB ALA 21 4.159 7.239 -2.483 132 H ILE 22 H ILE 22 0.702 8.629 -5.079 133 HA ILE 22 HA ILE 22 2.429 10.078 -6.908 134 HB ILE 22 HB ILE 22 0.481 10.739 -8.068 135 HG12 ILE 22 1HG1 ILE 22 -1.177 9.768 -5.732 136 HG13 ILE 22 2HG1 ILE 22 -0.782 11.457 -6.034 137 HG21 ILE 22 1HG2 ILE 22 -0.039 7.972 -6.989 138 HG22 ILE 22 2HG2 ILE 22 -0.669 8.639 -8.494 139 HG23 ILE 22 3HG2 ILE 22 1.064 8.370 -8.306 140 HD11 ILE 22 1HD1 ILE 22 -2.047 11.467 -8.047 141 HD12 ILE 22 2HD1 ILE 22 -2.274 9.719 -7.979 142 HD13 ILE 22 3HD1 ILE 22 -3.050 10.756 -6.782 143 H GLN 23 H GLN 23 0.344 10.724 -4.148 144 HA GLN 23 HA GLN 23 1.290 13.515 -4.165 145 HB2 GLN 23 1HB GLN 23 -1.227 13.023 -4.488 146 HB3 GLN 23 2HB GLN 23 -1.220 12.614 -2.778 147 HG2 GLN 23 1HG GLN 23 -1.871 14.998 -3.496 148 HG3 GLN 23 2HG GLN 23 -0.790 14.781 -2.121 149 HE21 GLN 23 1HE2 GLN 23 -0.504 14.972 -5.657 150 HE22 GLN 23 2HE2 GLN 23 0.811 16.093 -5.660 151 H LYS 24 H LYS 24 1.869 14.458 -2.184 152 HA LYS 24 HA LYS 24 3.135 12.696 -0.350 153 HB2 LYS 24 1HB LYS 24 3.637 15.209 -1.020 154 HB3 LYS 24 2HB LYS 24 2.602 15.547 0.361 155 HG2 LYS 24 1HG LYS 24 4.070 14.477 1.855 156 HG3 LYS 24 2HG LYS 24 4.971 13.712 0.545 157 HD2 LYS 24 1HD LYS 24 5.847 15.845 -0.159 158 HD3 LYS 24 2HD LYS 24 4.843 16.688 1.023 159 HE2 LYS 24 1HE LYS 24 7.010 16.576 1.959 160 HE3 LYS 24 2HE LYS 24 6.048 15.364 2.804 161 HZ1 LYS 24 1HZ LYS 24 7.216 13.671 1.899 162 HZ2 LYS 24 2HZ LYS 24 8.431 14.844 1.811 163 HZ3 LYS 24 3HZ LYS 24 7.509 14.478 0.441 164 H ARG 25 H ARG 25 2.287 11.674 1.332 165 HA ARG 25 HA ARG 25 -0.332 12.530 2.332 166 HB2 ARG 25 1HB ARG 25 0.353 10.092 1.556 167 HB3 ARG 25 2HB ARG 25 0.961 9.986 3.203 168 HG2 ARG 25 1HG ARG 25 -1.839 10.882 2.630 169 HG3 ARG 25 2HG ARG 25 -1.416 9.172 2.738 170 HD2 ARG 25 1HD ARG 25 -1.983 9.550 4.912 171 HD3 ARG 25 2HD ARG 25 -0.273 9.972 4.985 172 HE ARG 25 HE ARG 25 -0.851 12.184 5.291 173 HH11 ARG 25 2HH1 ARG 25 -3.666 10.316 4.450 174 HH12 ARG 25 1HH1 ARG 25 -4.783 11.582 4.839 175 HH21 ARG 25 2HH2 ARG 25 -2.311 13.858 5.806 176 HH22 ARG 25 1HH2 ARG 25 -4.011 13.597 5.609 177 H VAL 26 H VAL 26 -0.339 13.771 4.077 178 HA VAL 26 HA VAL 26 1.751 13.350 6.115 179 HB VAL 26 HB VAL 26 0.335 15.931 5.434 180 HG11 VAL 26 1HG1 VAL 26 2.288 15.191 7.588 181 HG12 VAL 26 2HG1 VAL 26 2.129 16.852 7.015 182 HG13 VAL 26 3HG1 VAL 26 0.744 16.029 7.734 183 HG21 VAL 26 1HG2 VAL 26 1.905 16.154 3.874 184 HG22 VAL 26 2HG2 VAL 26 3.093 16.241 5.175 185 HG23 VAL 26 3HG2 VAL 26 2.733 14.692 4.412 186 HA PRO 27 HA PRO 27 -2.126 12.234 8.243 187 HB2 PRO 27 1HB PRO 27 -0.908 10.599 10.036 188 HB3 PRO 27 2HB PRO 27 -1.355 10.076 8.408 189 HG2 PRO 27 1HG PRO 27 1.307 10.968 9.447 190 HG3 PRO 27 2HG PRO 27 0.923 9.611 8.372 191 HD2 PRO 27 1HD PRO 27 1.887 11.969 7.454 192 HD3 PRO 27 2HD PRO 27 0.766 10.964 6.513 193 H CYS 28 H CYS 28 -2.820 12.556 10.456 194 HA CYS 28 HA CYS 28 -1.622 14.891 11.624 195 HB2 CYS 28 1HB CYS 28 -4.057 13.240 12.185 196 HB3 CYS 28 2HB CYS 28 -3.482 14.368 13.407 197 HG CYS 28 HG CYS 28 -4.751 16.362 12.430 198 H ALA 29 H ALA 29 -0.136 14.953 13.170 199 HA ALA 29 HA ALA 29 1.368 12.939 14.117 200 HB1 ALA 29 1HB ALA 29 2.230 14.895 14.848 201 HB2 ALA 29 2HB ALA 29 0.647 15.585 15.206 202 HB3 ALA 29 3HB ALA 29 1.390 14.453 16.335 203 H TYR 30 H TYR 30 -1.622 14.075 15.672 204 HA TYR 30 HA TYR 30 -1.606 12.320 17.843 205 HB2 TYR 30 1HB TYR 30 -4.117 13.246 16.454 206 HB3 TYR 30 2HB TYR 30 -3.888 12.891 18.162 207 HD1 TYR 30 1HD TYR 30 -3.320 15.346 15.497 208 HD2 TYR 30 2HD TYR 30 -2.866 14.508 19.644 209 HE1 TYR 30 1HE TYR 30 -2.840 17.721 15.918 210 HE2 TYR 30 2HE TYR 30 -2.386 16.881 20.077 211 HH TYR 30 HH TYR 30 -2.153 19.221 17.430 212 H ASP 31 H ASP 31 -3.023 11.947 14.613 213 HA ASP 31 HA ASP 31 -4.212 9.434 15.055 214 HB2 ASP 31 1HB ASP 31 -4.559 11.079 13.100 215 HB3 ASP 31 2HB ASP 31 -3.139 10.320 12.385 216 H LYS 32 H LYS 32 -3.416 7.427 15.111 217 HA LYS 32 HA LYS 32 -0.549 7.079 14.560 218 HB2 LYS 32 1HB LYS 32 -2.338 5.271 16.189 219 HB3 LYS 32 2HB LYS 32 -0.583 5.218 16.086 220 HG2 LYS 32 1HG LYS 32 -0.847 6.280 18.085 221 HG3 LYS 32 2HG LYS 32 -0.775 7.671 17.001 222 HD2 LYS 32 1HD LYS 32 -3.135 7.933 17.042 223 HD3 LYS 32 2HD LYS 32 -3.361 6.372 17.835 224 HE2 LYS 32 1HE LYS 32 -1.718 8.470 19.178 225 HE3 LYS 32 2HE LYS 32 -3.475 8.606 19.206 226 HZ1 LYS 32 1HZ LYS 32 -2.362 7.378 21.113 227 HZ2 LYS 32 2HZ LYS 32 -2.106 6.116 20.017 228 HZ3 LYS 32 3HZ LYS 32 -3.681 6.617 20.376 229 H THR 33 H THR 33 -3.740 5.687 13.991 230 HA THR 33 HA THR 33 -2.884 3.438 12.515 231 HB THR 33 HB THR 33 -5.212 3.379 11.632 232 HG1 THR 33 1HG THR 33 -6.587 5.013 12.036 233 HG21 THR 33 1HG2 THR 33 -4.367 2.723 14.082 234 HG22 THR 33 2HG2 THR 33 -6.048 2.545 13.580 235 HG23 THR 33 3HG2 THR 33 -5.553 3.951 14.522 236 H ALA 34 H ALA 34 -3.331 6.780 11.677 237 HA ALA 34 HA ALA 34 -3.509 6.446 8.860 238 HB1 ALA 34 1HB ALA 34 -2.947 8.866 8.783 239 HB2 ALA 34 2HB ALA 34 -4.294 8.482 9.855 240 HB3 ALA 34 3HB ALA 34 -2.699 8.821 10.529 241 H LEU 35 H LEU 35 -1.957 5.565 7.664 242 HA LEU 35 HA LEU 35 0.791 5.543 8.491 243 HB2 LEU 35 1HB LEU 35 -0.613 3.821 7.072 244 HB3 LEU 35 2HB LEU 35 -0.043 4.810 5.728 245 HG LEU 35 HG LEU 35 1.692 3.329 7.705 246 HD11 LEU 35 1HD1 LEU 35 2.047 1.723 6.100 247 HD12 LEU 35 2HD1 LEU 35 1.571 2.785 4.775 248 HD13 LEU 35 3HD1 LEU 35 0.344 2.100 5.840 249 HD21 LEU 35 1HD2 LEU 35 3.110 5.003 7.142 250 HD22 LEU 35 2HD2 LEU 35 2.255 5.378 5.647 251 HD23 LEU 35 3HD2 LEU 35 3.347 3.994 5.715 252 H ALA 36 H ALA 36 2.452 6.773 7.787 253 HA ALA 36 HA ALA 36 1.775 9.077 6.115 254 HB1 ALA 36 1HB ALA 36 3.118 10.237 7.450 255 HB2 ALA 36 2HB ALA 36 3.307 8.786 8.436 256 HB3 ALA 36 3HB ALA 36 4.459 9.132 7.147 257 H LEU 37 H LEU 37 2.759 9.527 4.194 258 HA LEU 37 HA LEU 37 4.895 7.763 3.255 259 HB2 LEU 37 1HB LEU 37 2.438 8.348 1.616 260 HB3 LEU 37 2HB LEU 37 3.797 7.320 1.165 261 HG LEU 37 HG LEU 37 2.165 6.622 3.567 262 HD11 LEU 37 1HD1 LEU 37 0.895 7.073 1.201 263 HD12 LEU 37 2HD1 LEU 37 0.359 5.936 2.437 264 HD13 LEU 37 3HD1 LEU 37 1.311 5.365 1.067 265 HD21 LEU 37 1HD2 LEU 37 3.859 5.169 1.561 266 HD22 LEU 37 2HD2 LEU 37 2.730 4.316 2.614 267 HD23 LEU 37 3HD2 LEU 37 4.048 5.258 3.312 268 H GLU 38 H GLU 38 5.904 8.573 1.234 269 HA GLU 38 HA GLU 38 5.645 11.495 0.974 270 HB2 GLU 38 1HB GLU 38 7.653 11.336 2.132 271 HB3 GLU 38 2HB GLU 38 8.099 9.823 1.356 272 HG2 GLU 38 1HG GLU 38 8.815 10.885 -0.585 273 HG3 GLU 38 2HG GLU 38 7.938 12.368 -0.209 274 H VAL 39 H VAL 39 5.429 12.234 -1.045 275 HA VAL 39 HA VAL 39 4.695 10.865 -3.211 276 HB VAL 39 HB VAL 39 6.568 13.234 -3.314 277 HG11 VAL 39 1HG1 VAL 39 5.224 13.582 -5.512 278 HG12 VAL 39 2HG1 VAL 39 6.577 12.449 -5.489 279 HG13 VAL 39 3HG1 VAL 39 4.921 11.850 -5.389 280 HG21 VAL 39 1HG2 VAL 39 3.557 13.074 -3.252 281 HG22 VAL 39 2HG2 VAL 39 4.605 13.722 -1.991 282 HG23 VAL 39 3HG2 VAL 39 4.484 14.545 -3.545 283 H GLY 40 H GLY 40 5.503 9.108 -4.145 284 HA2 GLY 40 1HA GLY 40 7.099 8.143 -5.643 285 HA3 GLY 40 2HA GLY 40 8.352 9.104 -4.872 286 H ASP 41 H ASP 41 5.909 7.174 -3.221 287 HA ASP 41 HA ASP 41 8.054 5.369 -2.311 288 HB2 ASP 41 1HB ASP 41 6.957 7.125 -0.657 289 HB3 ASP 41 2HB ASP 41 5.692 5.903 -0.565 290 H ILE 42 H ILE 42 7.621 3.209 -2.260 291 HA ILE 42 HA ILE 42 5.197 2.357 -3.634 292 HB ILE 42 HB ILE 42 7.763 0.950 -2.934 293 HG12 ILE 42 1HG1 ILE 42 8.051 0.787 -5.306 294 HG13 ILE 42 2HG1 ILE 42 6.396 1.307 -5.605 295 HG21 ILE 42 1HG2 ILE 42 6.435 -0.864 -2.622 296 HG22 ILE 42 2HG2 ILE 42 5.116 -0.203 -3.588 297 HG23 ILE 42 3HG2 ILE 42 6.522 -0.912 -4.383 298 HD11 ILE 42 1HD1 ILE 42 6.913 3.527 -4.831 299 HD12 ILE 42 2HD1 ILE 42 8.546 3.025 -4.390 300 HD13 ILE 42 3HD1 ILE 42 8.058 3.050 -6.084 301 H VAL 43 H VAL 43 3.517 2.298 -2.234 302 HA VAL 43 HA VAL 43 3.791 1.317 0.455 303 HB VAL 43 HB VAL 43 1.196 1.784 -1.002 304 HG11 VAL 43 1HG1 VAL 43 0.639 2.532 1.436 305 HG12 VAL 43 2HG1 VAL 43 0.672 0.816 1.024 306 HG13 VAL 43 3HG1 VAL 43 2.045 1.553 1.851 307 HG21 VAL 43 1HG2 VAL 43 1.263 4.073 -0.487 308 HG22 VAL 43 2HG2 VAL 43 2.649 3.881 0.586 309 HG23 VAL 43 3HG2 VAL 43 2.855 3.718 -1.157 310 H LYS 44 H LYS 44 4.286 -0.807 0.583 311 HA LYS 44 HA LYS 44 3.022 -2.761 -1.126 312 HB2 LYS 44 1HB LYS 44 5.332 -3.111 -0.516 313 HB3 LYS 44 2HB LYS 44 4.936 -3.033 1.196 314 HG2 LYS 44 1HG LYS 44 3.359 -5.058 0.545 315 HG3 LYS 44 2HG LYS 44 4.548 -5.238 -0.747 316 HD2 LYS 44 1HD LYS 44 6.322 -5.136 1.063 317 HD3 LYS 44 2HD LYS 44 5.007 -5.310 2.228 318 HE2 LYS 44 1HE LYS 44 4.433 -7.447 1.405 319 HE3 LYS 44 2HE LYS 44 5.416 -7.237 -0.043 320 HZ1 LYS 44 1HZ LYS 44 7.096 -6.937 2.156 321 HZ2 LYS 44 2HZ LYS 44 7.084 -8.194 1.024 322 HZ3 LYS 44 3HZ LYS 44 6.166 -8.322 2.439 323 H VAL 45 H VAL 45 0.956 -3.247 -0.742 324 HA VAL 45 HA VAL 45 0.078 -3.556 2.051 325 HB VAL 45 HB VAL 45 -1.294 -1.934 1.027 326 HG11 VAL 45 1HG1 VAL 45 -1.117 -1.878 -1.216 327 HG12 VAL 45 2HG1 VAL 45 -0.970 -3.631 -1.353 328 HG13 VAL 45 3HG1 VAL 45 -2.560 -2.890 -1.166 329 HG21 VAL 45 1HG2 VAL 45 -3.236 -3.997 0.441 330 HG22 VAL 45 2HG2 VAL 45 -2.339 -4.349 1.918 331 HG23 VAL 45 3HG2 VAL 45 -3.204 -2.821 1.755 332 H THR 46 H THR 46 -0.419 -5.518 2.779 333 HA THR 46 HA THR 46 -0.318 -7.773 0.953 334 HB THR 46 HB THR 46 -0.402 -9.168 2.981 335 HG1 THR 46 1HG THR 46 -1.670 -7.423 4.142 336 HG21 THR 46 1HG2 THR 46 1.766 -8.372 2.193 337 HG22 THR 46 2HG2 THR 46 1.742 -8.458 3.955 338 HG23 THR 46 3HG2 THR 46 1.586 -6.899 3.146 339 H ARG 47 H ARG 47 -2.654 -6.039 2.894 340 HA ARG 47 HA ARG 47 -4.763 -7.799 1.827 341 HB2 ARG 47 1HB ARG 47 -4.392 -8.052 4.294 342 HB3 ARG 47 2HB ARG 47 -4.844 -6.363 4.484 343 HG2 ARG 47 1HG ARG 47 -7.058 -6.835 3.604 344 HG3 ARG 47 2HG ARG 47 -6.609 -8.523 3.350 345 HD2 ARG 47 1HD ARG 47 -6.714 -7.092 6.004 346 HD3 ARG 47 2HD ARG 47 -7.904 -8.246 5.403 347 HE ARG 47 HE ARG 47 -5.634 -9.678 5.327 348 HH11 ARG 47 2HH1 ARG 47 -7.074 -7.707 7.809 349 HH12 ARG 47 1HH1 ARG 47 -6.417 -8.640 9.113 350 HH21 ARG 47 2HH2 ARG 47 -4.763 -10.914 7.035 351 HH22 ARG 47 1HH2 ARG 47 -5.102 -10.463 8.672 352 H MET 48 H MET 48 -6.291 -6.821 0.662 353 HA MET 48 HA MET 48 -6.404 -3.879 0.734 354 HB2 MET 48 1HB MET 48 -7.003 -5.826 -1.493 355 HB3 MET 48 2HB MET 48 -7.406 -4.117 -1.573 356 HG2 MET 48 1HG MET 48 -4.932 -3.695 -1.109 357 HG3 MET 48 2HG MET 48 -4.701 -5.399 -1.495 358 HE1 MET 48 1HE MET 48 -4.876 -1.844 -3.916 359 HE2 MET 48 2HE MET 48 -4.144 -2.327 -2.386 360 HE3 MET 48 3HE MET 48 -3.393 -2.799 -3.911 361 H ASN 49 H ASN 49 -7.985 -3.459 2.198 362 HA ASN 49 HA ASN 49 -10.323 -4.964 2.575 363 HB2 ASN 49 1HB ASN 49 -10.259 -2.014 3.115 364 HB3 ASN 49 2HB ASN 49 -10.992 -3.302 4.065 365 HD21 ASN 49 1HD2 ASN 49 -9.167 -1.183 4.879 366 HD22 ASN 49 2HD2 ASN 49 -7.796 -1.973 5.573 367 H ILE 50 H ILE 50 -12.569 -3.906 2.318 368 HA ILE 50 HA ILE 50 -12.830 -3.133 -0.500 369 HB ILE 50 HB ILE 50 -15.266 -3.703 -0.146 370 HG12 ILE 50 1HG1 ILE 50 -14.191 -4.914 2.411 371 HG13 ILE 50 2HG1 ILE 50 -15.246 -3.508 2.319 372 HG21 ILE 50 1HG2 ILE 50 -14.708 -5.629 -1.098 373 HG22 ILE 50 2HG2 ILE 50 -13.035 -5.339 -0.621 374 HG23 ILE 50 3HG2 ILE 50 -14.107 -6.258 0.436 375 HD11 ILE 50 1HD1 ILE 50 -17.084 -4.755 1.783 376 HD12 ILE 50 2HD1 ILE 50 -16.131 -6.053 1.063 377 HD13 ILE 50 3HD1 ILE 50 -16.208 -5.883 2.816 378 H ASN 51 H ASN 51 -13.494 -2.063 2.751 379 HA ASN 51 HA ASN 51 -15.386 -0.112 2.416 380 HB2 ASN 51 1HB ASN 51 -13.848 1.156 4.185 381 HB3 ASN 51 2HB ASN 51 -14.770 -0.281 4.617 382 HD21 ASN 51 1HD2 ASN 51 -11.665 1.093 4.204 383 HD22 ASN 51 2HD2 ASN 51 -10.742 -0.282 4.696 384 H GLY 52 H GLY 52 -11.861 0.377 2.110 385 HA2 GLY 52 1HA GLY 52 -11.895 1.884 -0.204 386 HA3 GLY 52 2HA GLY 52 -12.132 3.032 1.105 387 H GLN 53 H GLN 53 -10.508 1.971 3.065 388 HA GLN 53 HA GLN 53 -7.890 2.614 1.970 389 HB2 GLN 53 1HB GLN 53 -7.186 2.725 4.338 390 HB3 GLN 53 2HB GLN 53 -8.555 3.773 3.991 391 HG2 GLN 53 1HG GLN 53 -9.099 1.037 5.009 392 HG3 GLN 53 2HG GLN 53 -8.483 2.248 6.133 393 HE21 GLN 53 1HE2 GLN 53 -10.715 1.581 6.990 394 HE22 GLN 53 2HE2 GLN 53 -12.031 2.590 6.506 395 H TRP 54 H TRP 54 -5.996 1.347 2.545 396 HA TRP 54 HA TRP 54 -6.611 -1.513 2.904 397 HB2 TRP 54 1HB TRP 54 -4.288 -0.520 1.266 398 HB3 TRP 54 2HB TRP 54 -5.021 -2.122 1.275 399 HD1 TRP 54 HD TRP 54 -8.071 -1.129 0.887 400 HE1 TRP 54 1HE TRP 54 -8.797 -0.276 -1.430 401 HE3 TRP 54 3HE TRP 54 -3.475 0.025 -1.030 402 HZ2 TRP 54 2HZ TRP 54 -7.582 0.749 -3.763 403 HZ3 TRP 54 3HZ TRP 54 -3.344 0.936 -3.312 404 HH2 TRP 54 HH TRP 54 -5.356 1.290 -4.648 405 H GLU 55 H GLU 55 -4.492 -2.746 3.469 406 HA GLU 55 HA GLU 55 -3.166 -1.236 5.620 407 HB2 GLU 55 1HB GLU 55 -4.605 -3.253 6.207 408 HB3 GLU 55 2HB GLU 55 -3.375 -4.237 5.427 409 HG2 GLU 55 1HG GLU 55 -1.738 -3.045 7.029 410 HG3 GLU 55 2HG GLU 55 -3.191 -2.631 7.938 411 H GLY 56 H GLY 56 -1.186 -0.604 5.077 412 HA2 GLY 56 1HA GLY 56 0.563 -2.549 3.719 413 HA3 GLY 56 2HA GLY 56 0.460 -0.896 3.131 414 H GLU 57 H GLU 57 2.861 -2.091 3.937 415 HA GLU 57 HA GLU 57 3.448 -0.625 6.425 416 HB2 GLU 57 1HB GLU 57 3.698 -3.180 6.406 417 HB3 GLU 57 2HB GLU 57 5.090 -2.914 5.365 418 HG2 GLU 57 1HG GLU 57 4.938 -1.424 7.930 419 HG3 GLU 57 2HG GLU 57 5.339 -3.140 7.971 420 H VAL 58 H VAL 58 4.810 1.030 6.276 421 HA VAL 58 HA VAL 58 6.851 1.066 4.190 422 HB VAL 58 HB VAL 58 4.897 3.342 4.552 423 HG11 VAL 58 1HG1 VAL 58 6.570 3.442 2.203 424 HG12 VAL 58 2HG1 VAL 58 6.328 4.653 3.464 425 HG13 VAL 58 3HG1 VAL 58 7.541 3.389 3.674 426 HG21 VAL 58 1HG2 VAL 58 3.950 1.390 3.364 427 HG22 VAL 58 2HG2 VAL 58 4.094 2.816 2.336 428 HG23 VAL 58 3HG2 VAL 58 5.261 1.501 2.190 429 H ASN 59 H ASN 59 8.680 2.176 4.743 430 HA ASN 59 HA ASN 59 10.254 2.932 6.223 431 HB2 ASN 59 1HB ASN 59 9.577 5.135 7.309 432 HB3 ASN 59 2HB ASN 59 9.465 5.065 5.553 433 HD21 ASN 59 1HD2 ASN 59 7.591 5.546 4.620 434 HD22 ASN 59 2HD2 ASN 59 6.094 5.782 5.451 435 H GLY 60 H GLY 60 9.089 0.764 7.317 436 HA2 GLY 60 1HA GLY 60 8.693 -0.317 9.304 437 HA3 GLY 60 2HA GLY 60 9.637 0.976 10.030 438 H ARG 61 H ARG 61 6.482 1.096 8.406 439 HA ARG 61 HA ARG 61 5.121 1.559 10.922 440 HB2 ARG 61 1HB ARG 61 5.353 3.697 8.802 441 HB3 ARG 61 2HB ARG 61 4.136 3.719 10.072 442 HG2 ARG 61 1HG ARG 61 6.184 3.511 11.663 443 HG3 ARG 61 2HG ARG 61 7.085 4.108 10.269 444 HD2 ARG 61 1HD ARG 61 5.517 6.029 10.150 445 HD3 ARG 61 2HD ARG 61 4.755 5.451 11.631 446 HE ARG 61 HE ARG 61 7.416 5.685 12.240 447 HH11 ARG 61 2HH1 ARG 61 4.934 7.816 11.051 448 HH12 ARG 61 1HH1 ARG 61 5.619 9.232 11.778 449 HH21 ARG 61 2HH2 ARG 61 8.328 7.541 13.202 450 HH22 ARG 61 1HH2 ARG 61 7.550 9.075 13.000 451 H LYS 62 H LYS 62 3.268 0.491 10.826 452 HA LYS 62 HA LYS 62 2.055 0.006 8.190 453 HB2 LYS 62 1HB LYS 62 1.793 -1.539 10.775 454 HB3 LYS 62 2HB LYS 62 0.917 -1.912 9.297 455 HG2 LYS 62 1HG LYS 62 3.025 -2.346 8.148 456 HG3 LYS 62 2HG LYS 62 3.911 -1.957 9.624 457 HD2 LYS 62 1HD LYS 62 3.811 -4.272 9.694 458 HD3 LYS 62 2HD LYS 62 2.437 -3.802 10.697 459 HE2 LYS 62 1HE LYS 62 1.060 -3.967 8.538 460 HE3 LYS 62 2HE LYS 62 2.443 -4.842 7.881 461 HZ1 LYS 62 1HZ LYS 62 0.663 -5.618 10.105 462 HZ2 LYS 62 2HZ LYS 62 2.205 -6.296 9.947 463 HZ3 LYS 62 3HZ LYS 62 1.063 -6.494 8.714 464 H GLY 63 H GLY 63 0.321 1.183 7.737 465 HA2 GLY 63 1HA GLY 63 -1.738 1.564 9.755 466 HA3 GLY 63 2HA GLY 63 -0.974 3.033 9.166 467 H LEU 64 H LEU 64 -3.631 2.809 8.833 468 HA LEU 64 HA LEU 64 -4.229 1.704 6.226 469 HB2 LEU 64 1HB LEU 64 -5.963 3.393 8.020 470 HB3 LEU 64 2HB LEU 64 -6.492 2.441 6.635 471 HG LEU 64 HG LEU 64 -5.330 1.273 9.161 472 HD11 LEU 64 1HD1 LEU 64 -7.315 1.471 10.120 473 HD12 LEU 64 2HD1 LEU 64 -8.075 0.635 8.767 474 HD13 LEU 64 3HD1 LEU 64 -7.891 2.388 8.728 475 HD21 LEU 64 1HD2 LEU 64 -5.050 -0.470 7.774 476 HD22 LEU 64 2HD2 LEU 64 -6.139 0.192 6.555 477 HD23 LEU 64 3HD2 LEU 64 -6.794 -0.667 7.950 478 H PHE 65 H PHE 65 -3.990 2.760 4.378 479 HA PHE 65 HA PHE 65 -4.016 5.705 4.425 480 HB2 PHE 65 1HB PHE 65 -2.303 5.732 2.705 481 HB3 PHE 65 2HB PHE 65 -1.730 4.800 4.084 482 HD1 PHE 65 1HD PHE 65 -1.924 2.260 3.957 483 HD2 PHE 65 2HD PHE 65 -2.309 4.812 0.572 484 HE1 PHE 65 1HE PHE 65 -1.444 0.358 2.472 485 HE2 PHE 65 2HE PHE 65 -1.830 2.914 -0.918 486 HZ PHE 65 HZ PHE 65 -1.398 0.683 0.031 487 HA PRO 66 HA PRO 66 -7.221 5.445 1.421 488 HB2 PRO 66 1HB PRO 66 -6.961 7.904 0.300 489 HB3 PRO 66 2HB PRO 66 -7.649 7.649 1.908 490 HG2 PRO 66 1HG PRO 66 -4.880 8.492 1.145 491 HG3 PRO 66 2HG PRO 66 -5.925 9.118 2.433 492 HD2 PRO 66 1HD PRO 66 -3.919 7.364 2.909 493 HD3 PRO 66 2HD PRO 66 -5.416 7.383 3.862 494 H PHE 67 H PHE 67 -7.446 4.772 -0.646 495 HA PHE 67 HA PHE 67 -5.095 4.286 -2.203 496 HB2 PHE 67 1HB PHE 67 -6.473 3.028 -3.633 497 HB3 PHE 67 2HB PHE 67 -7.211 2.829 -2.046 498 HD1 PHE 67 1HD PHE 67 -9.155 4.412 -1.465 499 HD2 PHE 67 2HD PHE 67 -7.744 3.750 -5.425 500 HE1 PHE 67 1HE PHE 67 -11.300 5.219 -2.360 501 HE2 PHE 67 2HE PHE 67 -9.886 4.557 -6.327 502 HZ PHE 67 HZ PHE 67 -11.668 5.294 -4.794 503 H THR 68 H THR 68 -7.610 6.685 -2.181 504 HA THR 68 HA THR 68 -7.282 7.673 -4.806 505 HB THR 68 HB THR 68 -8.372 9.738 -3.962 506 HG1 THR 68 1HG THR 68 -7.890 8.454 -1.491 507 HG21 THR 68 1HG2 THR 68 -10.040 7.707 -2.672 508 HG22 THR 68 2HG2 THR 68 -9.467 7.245 -4.275 509 HG23 THR 68 3HG2 THR 68 -10.381 8.737 -4.062 510 H HIS 69 H HIS 69 -5.126 7.650 -2.288 511 HA HIS 69 HA HIS 69 -3.856 10.180 -3.051 512 HB2 HIS 69 1HB HIS 69 -4.291 9.332 -0.587 513 HB3 HIS 69 2HB HIS 69 -2.798 8.439 -0.863 514 HD1 HIS 69 1HD HIS 69 -4.027 11.666 0.206 515 HD2 HIS 69 2HD HIS 69 -0.574 10.237 -1.610 516 HE1 HIS 69 1HE HIS 69 -2.302 13.468 0.527 517 HE2 HIS 69 2HE HIS 69 -0.247 12.618 -0.654 518 H VAL 70 H VAL 70 -3.701 6.886 -3.701 519 HA VAL 70 HA VAL 70 -1.004 7.202 -4.836 520 HB VAL 70 HB VAL 70 -0.296 5.079 -4.157 521 HG11 VAL 70 1HG1 VAL 70 -0.057 5.437 -1.947 522 HG12 VAL 70 2HG1 VAL 70 -0.919 6.937 -2.292 523 HG13 VAL 70 3HG1 VAL 70 -1.795 5.538 -1.669 524 HG21 VAL 70 1HG2 VAL 70 -1.884 3.493 -2.969 525 HG22 VAL 70 2HG2 VAL 70 -3.190 4.523 -3.556 526 HG23 VAL 70 3HG2 VAL 70 -2.132 3.702 -4.703 527 H LYS 71 H LYS 71 -0.547 5.630 -6.586 528 HA LYS 71 HA LYS 71 -2.986 4.783 -7.999 529 HB2 LYS 71 1HB LYS 71 -1.843 6.942 -8.856 530 HB3 LYS 71 2HB LYS 71 -0.592 5.864 -9.461 531 HG2 LYS 71 1HG LYS 71 -2.022 4.857 -10.990 532 HG3 LYS 71 2HG LYS 71 -3.470 5.407 -10.142 533 HD2 LYS 71 1HD LYS 71 -3.369 6.801 -12.007 534 HD3 LYS 71 2HD LYS 71 -2.649 7.778 -10.726 535 HE2 LYS 71 1HE LYS 71 -1.315 7.962 -12.729 536 HE3 LYS 71 2HE LYS 71 -0.410 7.082 -11.498 537 HZ1 LYS 71 1HZ LYS 71 -1.786 5.168 -12.921 538 HZ2 LYS 71 2HZ LYS 71 -0.129 5.496 -13.001 539 HZ3 LYS 71 3HZ LYS 71 -1.191 6.235 -14.092 540 H ILE 72 H ILE 72 -2.957 2.737 -8.675 541 HA ILE 72 HA ILE 72 -0.803 1.013 -8.058 542 HB ILE 72 HB ILE 72 -3.180 0.516 -9.854 543 HG12 ILE 72 1HG1 ILE 72 -3.676 1.145 -7.470 544 HG13 ILE 72 2HG1 ILE 72 -4.246 -0.453 -7.936 545 HG21 ILE 72 1HG2 ILE 72 -1.887 -1.253 -10.435 546 HG22 ILE 72 2HG2 ILE 72 -0.939 -1.189 -8.950 547 HG23 ILE 72 3HG2 ILE 72 -2.548 -1.910 -8.938 548 HD11 ILE 72 1HD1 ILE 72 -1.748 -0.974 -6.947 549 HD12 ILE 72 2HD1 ILE 72 -2.322 0.328 -5.904 550 HD13 ILE 72 3HD1 ILE 72 -3.267 -1.152 -6.069 551 H PHE 73 H PHE 73 0.933 0.431 -9.195 552 HA PHE 73 HA PHE 73 0.955 0.869 -12.095 553 HB2 PHE 73 1HB PHE 73 2.978 2.049 -12.090 554 HB3 PHE 73 2HB PHE 73 2.096 2.748 -10.735 555 HD1 PHE 73 1HD PHE 73 2.504 1.297 -8.462 556 HD2 PHE 73 2HD PHE 73 5.204 1.703 -11.727 557 HE1 PHE 73 1HE PHE 73 4.386 0.773 -6.966 558 HE2 PHE 73 2HE PHE 73 7.090 1.179 -10.236 559 HZ PHE 73 HZ PHE 73 6.683 0.712 -7.853 560 H ASP 74 H ASP 74 2.830 -0.243 -13.149 561 HA ASP 74 HA ASP 74 3.267 -2.836 -11.838 562 HB2 ASP 74 1HB ASP 74 3.103 -1.974 -14.705 563 HB3 ASP 74 2HB ASP 74 3.979 -3.443 -14.284 564 HA PRO 75 HA PRO 75 7.424 -1.023 -11.418 565 HB2 PRO 75 1HB PRO 75 8.122 -2.600 -9.322 566 HB3 PRO 75 2HB PRO 75 7.174 -1.120 -9.137 567 HG2 PRO 75 1HG PRO 75 6.246 -3.965 -9.229 568 HG3 PRO 75 2HG PRO 75 5.728 -2.654 -8.153 569 HD2 PRO 75 1HD PRO 75 4.288 -3.420 -10.315 570 HD3 PRO 75 2HD PRO 75 4.322 -1.742 -9.735 571 H GLN 76 H GLN 76 6.572 -4.472 -11.242 572 HA GLN 76 HA GLN 76 9.093 -5.105 -12.619 573 HB2 GLN 76 1HB GLN 76 7.274 -6.908 -11.013 574 HB3 GLN 76 2HB GLN 76 8.767 -7.407 -11.797 575 HG2 GLN 76 1HG GLN 76 8.774 -5.192 -9.791 576 HG3 GLN 76 2HG GLN 76 8.776 -6.877 -9.274 577 HE21 GLN 76 1HE2 GLN 76 10.820 -4.882 -8.880 578 HE22 GLN 76 2HE2 GLN 76 12.251 -5.479 -9.641 579 H ASN 77 H ASN 77 6.829 -4.061 -14.018 580 HA ASN 77 HA ASN 77 5.017 -5.586 -15.214 581 HB2 ASN 77 1HB ASN 77 5.478 -4.426 -17.365 582 HB3 ASN 77 2HB ASN 77 5.450 -3.330 -15.986 583 HD21 ASN 77 1HD2 ASN 77 6.593 -2.200 -17.940 584 HD22 ASN 77 2HD2 ASN 77 8.319 -2.255 -17.882 585 HA PRO 78 HA PRO 78 7.645 -9.109 -16.377 586 HB2 PRO 78 1HB PRO 78 5.593 -10.886 -16.422 587 HB3 PRO 78 2HB PRO 78 6.420 -10.411 -14.934 588 HG2 PRO 78 1HG PRO 78 3.820 -9.434 -16.051 589 HG3 PRO 78 2HG PRO 78 4.232 -9.853 -14.378 590 HD2 PRO 78 1HD PRO 78 4.144 -7.294 -15.260 591 HD3 PRO 78 2HD PRO 78 5.267 -7.830 -13.994 592 H ASP 79 H ASP 79 5.299 -7.326 -17.953 593 HA ASP 79 HA ASP 79 4.985 -9.035 -20.259 594 HB2 ASP 79 1HB ASP 79 3.899 -6.901 -21.209 595 HB3 ASP 79 2HB ASP 79 3.103 -7.692 -19.852 596 H GLU 80 H GLU 80 6.249 -9.097 -22.001 597 HA GLU 80 HA GLU 80 8.478 -7.214 -22.163 598 HB2 GLU 80 1HB GLU 80 9.464 -8.796 -23.739 599 HB3 GLU 80 2HB GLU 80 8.999 -9.609 -22.251 600 HG2 GLU 80 1HG GLU 80 6.785 -10.069 -23.613 601 HG3 GLU 80 2HG GLU 80 7.874 -9.858 -24.983 602 H ASN 81 H ASN 81 7.248 -5.425 -22.936 603 HA ASN 81 HA ASN 81 5.851 -5.629 -25.449 604 HB2 ASN 81 1HB ASN 81 5.027 -4.079 -23.767 605 HB3 ASN 81 2HB ASN 81 6.571 -3.232 -23.749 606 HD21 ASN 81 1HD2 ASN 81 6.101 -1.282 -24.514 607 HD22 ASN 81 2HD2 ASN 81 5.323 -0.962 -26.023 608 H GLU 82 H GLU 82 6.905 -5.745 -27.312 609 HA GLU 82 HA GLU 82 9.527 -4.452 -27.557 610 HB2 GLU 82 1HB GLU 82 8.203 -6.744 -28.951 611 HB3 GLU 82 2HB GLU 82 9.468 -5.850 -29.784 612 HG2 GLU 82 1HG GLU 82 9.846 -7.033 -27.051 613 HG3 GLU 82 2HG GLU 82 10.184 -7.920 -28.536 614 H SER 83 H SER 83 10.035 -3.429 -29.660 615 HA SER 83 HA SER 83 7.909 -1.610 -30.386 616 HB2 SER 83 1HB SER 83 9.618 -0.418 -31.644 617 HB3 SER 83 2HB SER 83 10.243 -0.822 -30.045 618 HG SER 83 HG SER 83 11.732 -1.281 -31.749 619 H GLY 84 H GLY 84 6.404 -2.455 -31.707 620 HA2 GLY 84 1HA GLY 84 7.328 -3.438 -34.315 621 HA3 GLY 84 2HA GLY 84 6.216 -4.435 -33.389 622 HA PRO 85 HA PRO 85 4.105 -0.920 -35.912 623 HB2 PRO 85 1HB PRO 85 3.669 -2.173 -38.281 624 HB3 PRO 85 2HB PRO 85 5.103 -1.189 -37.964 625 HG2 PRO 85 1HG PRO 85 4.791 -4.165 -37.873 626 HG3 PRO 85 2HG PRO 85 6.113 -3.199 -38.553 627 HD2 PRO 85 1HD PRO 85 6.277 -4.389 -36.126 628 HD3 PRO 85 2HD PRO 85 7.088 -2.853 -36.493 629 H SER 86 H SER 86 2.491 -1.477 -34.348 630 HA SER 86 HA SER 86 0.887 -3.796 -34.522 631 HB2 SER 86 1HB SER 86 0.337 -1.107 -33.247 632 HB3 SER 86 2HB SER 86 -0.680 -2.533 -33.035 633 HG SER 86 HG SER 86 0.957 -2.162 -31.373 634 H SER 87 H SER 87 0.470 -3.839 -36.830 635 HA SER 87 HA SER 87 -0.984 -1.869 -38.199 636 HB2 SER 87 1HB SER 87 -1.350 -3.529 -39.902 637 HB3 SER 87 2HB SER 87 0.266 -3.787 -39.246 638 HG SER 87 HG SER 87 -1.006 -5.727 -39.481 639 H GLY 88 H GLY 88 -2.949 -1.147 -37.736 640 HA2 GLY 88 1HA GLY 88 -5.190 -2.901 -37.553 641 HA3 GLY 88 2HA GLY 88 -4.767 -2.251 -35.977 Start of MODEL 14 1 H1 GLY 1 H GLY 1 35.462 -14.110 5.617 2 HA2 GLY 1 1HA GLY 1 32.807 -13.046 6.262 3 HA3 GLY 1 2HA GLY 1 33.674 -12.337 4.908 4 H SER 2 H SER 2 31.647 -13.094 3.814 5 HA SER 2 HA SER 2 32.215 -15.467 2.341 6 HB2 SER 2 1HB SER 2 31.072 -16.183 4.605 7 HB3 SER 2 2HB SER 2 29.600 -15.660 3.787 8 HG SER 2 HG SER 2 31.107 -17.897 3.395 9 H SER 3 H SER 3 30.211 -16.006 0.892 10 HA SER 3 HA SER 3 28.581 -13.677 0.290 11 HB2 SER 3 1HB SER 3 30.639 -13.246 -0.981 12 HB3 SER 3 2HB SER 3 30.509 -14.832 -1.742 13 HG SER 3 HG SER 3 28.492 -12.850 -1.927 14 H GLY 4 H GLY 4 27.027 -14.151 -1.516 15 HA2 GLY 4 1HA GLY 4 26.529 -17.001 -1.945 16 HA3 GLY 4 2HA GLY 4 25.287 -16.087 -1.102 17 H SER 5 H SER 5 23.978 -16.847 -2.955 18 HA SER 5 HA SER 5 23.720 -14.755 -4.886 19 HB2 SER 5 1HB SER 5 25.564 -16.220 -5.838 20 HB3 SER 5 2HB SER 5 24.352 -17.490 -6.006 21 HG SER 5 HG SER 5 23.871 -14.931 -7.068 22 H SER 6 H SER 6 21.870 -15.164 -6.378 23 HA SER 6 HA SER 6 20.080 -17.302 -5.999 24 HB2 SER 6 1HB SER 6 19.972 -15.926 -3.767 25 HB3 SER 6 2HB SER 6 18.984 -14.821 -4.722 26 HG SER 6 HG SER 6 18.495 -17.532 -4.096 27 H GLY 7 H GLY 7 17.920 -16.851 -7.006 28 HA2 GLY 7 1HA GLY 7 17.568 -14.492 -8.577 29 HA3 GLY 7 2HA GLY 7 18.168 -15.825 -9.552 30 HA PRO 8 HA PRO 8 13.454 -16.044 -8.536 31 HB2 PRO 8 1HB PRO 8 12.390 -14.474 -10.478 32 HB3 PRO 8 2HB PRO 8 12.791 -13.869 -8.867 33 HG2 PRO 8 1HG PRO 8 14.346 -13.644 -11.414 34 HG3 PRO 8 2HG PRO 8 14.053 -12.415 -10.170 35 HD2 PRO 8 1HD PRO 8 16.375 -13.800 -10.333 36 HD3 PRO 8 2HD PRO 8 15.702 -13.242 -8.787 37 H LEU 9 H LEU 9 11.729 -16.763 -10.180 38 HA LEU 9 HA LEU 9 13.058 -18.349 -12.276 39 HB2 LEU 9 1HB LEU 9 10.882 -19.739 -12.045 40 HB3 LEU 9 2HB LEU 9 12.170 -19.922 -10.855 41 HG LEU 9 HG LEU 9 9.940 -18.018 -10.299 42 HD11 LEU 9 1HD1 LEU 9 8.405 -19.601 -9.755 43 HD12 LEU 9 2HD1 LEU 9 9.623 -20.829 -9.414 44 HD13 LEU 9 3HD1 LEU 9 9.201 -20.446 -11.083 45 HD21 LEU 9 1HD2 LEU 9 11.476 -19.882 -8.499 46 HD22 LEU 9 2HD2 LEU 9 10.445 -18.532 -8.025 47 HD23 LEU 9 3HD2 LEU 9 11.972 -18.228 -8.854 48 HA PRO 10 HA PRO 10 10.691 -16.400 -15.416 49 HB2 PRO 10 1HB PRO 10 10.242 -18.461 -17.125 50 HB3 PRO 10 2HB PRO 10 11.827 -17.705 -16.928 51 HG2 PRO 10 1HG PRO 10 10.776 -20.239 -15.731 52 HG3 PRO 10 2HG PRO 10 12.369 -19.913 -16.440 53 HD2 PRO 10 1HD PRO 10 11.942 -19.937 -13.766 54 HD3 PRO 10 2HD PRO 10 13.147 -18.881 -14.531 55 H SER 11 H SER 11 9.340 -18.642 -13.342 56 HA SER 11 HA SER 11 6.796 -18.997 -14.601 57 HB2 SER 11 1HB SER 11 7.839 -20.524 -12.848 58 HB3 SER 11 2HB SER 11 7.384 -19.307 -11.655 59 HG SER 11 HG SER 11 5.754 -20.845 -11.807 60 H THR 12 H THR 12 4.772 -18.155 -13.831 61 HA THR 12 HA THR 12 5.010 -15.539 -12.495 62 HB THR 12 HB THR 12 4.594 -15.220 -14.898 63 HG1 THR 12 1HG THR 12 2.731 -14.490 -12.942 64 HG21 THR 12 1HG2 THR 12 3.211 -17.471 -14.924 65 HG22 THR 12 2HG2 THR 12 2.866 -16.175 -16.069 66 HG23 THR 12 3HG2 THR 12 1.861 -16.376 -14.635 67 H GLN 13 H GLN 13 3.651 -15.174 -10.843 68 HA GLN 13 HA GLN 13 1.191 -16.697 -10.586 69 HB2 GLN 13 1HB GLN 13 3.422 -16.850 -8.557 70 HB3 GLN 13 2HB GLN 13 1.771 -17.360 -8.236 71 HG2 GLN 13 1HG GLN 13 1.906 -19.144 -9.742 72 HG3 GLN 13 2HG GLN 13 3.351 -18.494 -10.514 73 HE21 GLN 13 1HE2 GLN 13 5.017 -19.747 -10.110 74 HE22 GLN 13 2HE2 GLN 13 5.396 -20.487 -8.596 75 H ASN 14 H ASN 14 -0.365 -15.671 -9.385 76 HA ASN 14 HA ASN 14 -0.441 -12.963 -9.188 77 HB2 ASN 14 1HB ASN 14 -1.765 -14.651 -7.077 78 HB3 ASN 14 2HB ASN 14 -2.359 -13.178 -7.837 79 HD21 ASN 14 1HD2 ASN 14 -2.749 -13.350 -10.216 80 HD22 ASN 14 2HD2 ASN 14 -3.463 -14.814 -10.793 81 H GLY 15 H GLY 15 0.725 -11.515 -8.121 82 HA2 GLY 15 1HA GLY 15 1.917 -12.318 -5.538 83 HA3 GLY 15 2HA GLY 15 2.684 -11.211 -6.667 84 HA PRO 16 HA PRO 16 0.371 -8.803 -3.397 85 HB2 PRO 16 1HB PRO 16 2.494 -7.299 -2.622 86 HB3 PRO 16 2HB PRO 16 2.120 -8.873 -1.909 87 HG2 PRO 16 1HG PRO 16 4.120 -8.178 -4.026 88 HG3 PRO 16 2HG PRO 16 4.296 -9.261 -2.633 89 HD2 PRO 16 1HD PRO 16 3.819 -10.174 -5.137 90 HD3 PRO 16 2HD PRO 16 3.210 -10.999 -3.688 91 H VAL 17 H VAL 17 -0.350 -6.688 -3.600 92 HA VAL 17 HA VAL 17 0.167 -5.448 -6.173 93 HB VAL 17 HB VAL 17 -1.763 -4.674 -3.981 94 HG11 VAL 17 1HG1 VAL 17 -1.685 -2.696 -5.069 95 HG12 VAL 17 2HG1 VAL 17 -1.019 -3.409 -6.539 96 HG13 VAL 17 3HG1 VAL 17 -2.747 -3.526 -6.206 97 HG21 VAL 17 1HG2 VAL 17 -2.811 -6.518 -4.737 98 HG22 VAL 17 2HG2 VAL 17 -3.277 -5.473 -6.078 99 HG23 VAL 17 3HG2 VAL 17 -1.891 -6.551 -6.241 100 H PHE 18 H PHE 18 1.218 -3.563 -6.517 101 HA PHE 18 HA PHE 18 2.383 -2.235 -4.159 102 HB2 PHE 18 1HB PHE 18 3.499 -2.717 -6.914 103 HB3 PHE 18 2HB PHE 18 4.162 -1.478 -5.854 104 HD1 PHE 18 2HD PHE 18 3.738 -5.075 -6.382 105 HD2 PHE 18 1HD PHE 18 5.434 -2.062 -3.899 106 HE1 PHE 18 2HE PHE 18 5.140 -6.773 -5.285 107 HE2 PHE 18 1HE PHE 18 6.839 -3.756 -2.799 108 HZ PHE 18 HZ PHE 18 6.693 -6.115 -3.490 109 H ALA 19 H ALA 19 1.982 -0.132 -3.863 110 HA ALA 19 HA ALA 19 0.829 1.397 -6.102 111 HB1 ALA 19 1HB ALA 19 -0.053 2.089 -3.365 112 HB2 ALA 19 2HB ALA 19 -0.943 2.117 -4.888 113 HB3 ALA 19 3HB ALA 19 -0.680 0.588 -4.049 114 H LYS 20 H LYS 20 2.057 3.075 -6.607 115 HA LYS 20 HA LYS 20 4.067 4.042 -4.760 116 HB2 LYS 20 1HB LYS 20 4.726 3.774 -7.062 117 HB3 LYS 20 2HB LYS 20 3.393 4.782 -7.610 118 HG2 LYS 20 1HG LYS 20 4.398 6.723 -6.548 119 HG3 LYS 20 2HG LYS 20 5.718 5.721 -5.941 120 HD2 LYS 20 1HD LYS 20 6.304 5.167 -8.291 121 HD3 LYS 20 2HD LYS 20 5.059 6.296 -8.829 122 HE2 LYS 20 1HE LYS 20 7.289 7.121 -6.991 123 HE3 LYS 20 2HE LYS 20 7.459 7.154 -8.745 124 HZ1 LYS 20 1HZ LYS 20 5.056 8.416 -8.091 125 HZ2 LYS 20 2HZ LYS 20 6.448 9.106 -8.759 126 HZ3 LYS 20 3HZ LYS 20 6.252 9.058 -7.080 127 H ALA 21 H ALA 21 4.120 6.010 -3.771 128 HA ALA 21 HA ALA 21 1.603 7.394 -3.497 129 HB1 ALA 21 1HB ALA 21 4.289 7.698 -2.190 130 HB2 ALA 21 2HB ALA 21 2.971 8.835 -1.903 131 HB3 ALA 21 3HB ALA 21 2.776 7.134 -1.481 132 H ILE 22 H ILE 22 1.002 8.817 -4.993 133 HA ILE 22 HA ILE 22 2.981 10.301 -6.514 134 HB ILE 22 HB ILE 22 0.988 11.214 -7.725 135 HG12 ILE 22 1HG1 ILE 22 -0.561 9.157 -6.144 136 HG13 ILE 22 2HG1 ILE 22 -0.574 10.876 -5.768 137 HG21 ILE 22 1HG2 ILE 22 2.042 9.418 -8.777 138 HG22 ILE 22 2HG2 ILE 22 1.510 8.268 -7.552 139 HG23 ILE 22 3HG2 ILE 22 0.350 8.929 -8.704 140 HD11 ILE 22 1HD1 ILE 22 -1.651 9.488 -8.194 141 HD12 ILE 22 2HD1 ILE 22 -2.505 10.500 -7.028 142 HD13 ILE 22 3HD1 ILE 22 -1.362 11.227 -8.156 143 H GLN 23 H GLN 23 0.633 10.841 -3.982 144 HA GLN 23 HA GLN 23 1.430 13.677 -3.904 145 HB2 GLN 23 1HB GLN 23 -1.178 12.345 -3.206 146 HB3 GLN 23 2HB GLN 23 -0.769 13.947 -2.607 147 HG2 GLN 23 1HG GLN 23 -0.543 13.443 -5.523 148 HG3 GLN 23 2HG GLN 23 -2.153 13.598 -4.820 149 HE21 GLN 23 1HE2 GLN 23 -2.220 15.522 -3.182 150 HE22 GLN 23 2HE2 GLN 23 -1.596 17.009 -3.801 151 H LYS 24 H LYS 24 2.021 14.577 -1.955 152 HA LYS 24 HA LYS 24 3.229 12.886 -0.059 153 HB2 LYS 24 1HB LYS 24 3.925 15.227 -0.516 154 HB3 LYS 24 2HB LYS 24 2.456 15.791 0.271 155 HG2 LYS 24 1HG LYS 24 3.204 14.692 2.358 156 HG3 LYS 24 2HG LYS 24 4.715 14.266 1.551 157 HD2 LYS 24 1HD LYS 24 5.067 16.707 1.113 158 HD3 LYS 24 2HD LYS 24 3.661 17.032 2.131 159 HE2 LYS 24 1HE LYS 24 5.336 17.240 3.676 160 HE3 LYS 24 2HE LYS 24 4.973 15.523 3.843 161 HZ1 LYS 24 1HZ LYS 24 7.020 15.014 3.214 162 HZ2 LYS 24 2HZ LYS 24 7.414 16.658 3.246 163 HZ3 LYS 24 3HZ LYS 24 6.895 15.940 1.804 164 H ARG 25 H ARG 25 2.465 11.892 1.693 165 HA ARG 25 HA ARG 25 -0.284 12.505 2.537 166 HB2 ARG 25 1HB ARG 25 0.600 10.130 1.763 167 HB3 ARG 25 2HB ARG 25 1.142 10.042 3.434 168 HG2 ARG 25 1HG ARG 25 -1.691 10.631 2.611 169 HG3 ARG 25 2HG ARG 25 -1.086 9.025 3.020 170 HD2 ARG 25 1HD ARG 25 -0.649 9.656 5.256 171 HD3 ARG 25 2HD ARG 25 -0.851 11.369 4.888 172 HE ARG 25 HE ARG 25 -3.132 11.114 5.056 173 HH11 ARG 25 2HH1 ARG 25 -1.591 7.992 5.028 174 HH12 ARG 25 1HH1 ARG 25 -3.029 7.133 5.473 175 HH21 ARG 25 2HH2 ARG 25 -5.031 9.995 5.643 176 HH22 ARG 25 1HH2 ARG 25 -4.985 8.273 5.822 177 H VAL 26 H VAL 26 -0.469 13.690 4.310 178 HA VAL 26 HA VAL 26 1.608 13.454 6.390 179 HB VAL 26 HB VAL 26 -0.151 15.834 5.776 180 HG11 VAL 26 1HG1 VAL 26 1.941 15.361 7.888 181 HG12 VAL 26 2HG1 VAL 26 1.388 16.970 7.421 182 HG13 VAL 26 3HG1 VAL 26 0.251 15.811 8.112 183 HG21 VAL 26 1HG2 VAL 26 1.919 16.924 5.073 184 HG22 VAL 26 2HG2 VAL 26 2.814 15.434 5.375 185 HG23 VAL 26 3HG2 VAL 26 1.596 15.488 4.100 186 HA PRO 27 HA PRO 27 -2.100 11.731 8.412 187 HB2 PRO 27 1HB PRO 27 -0.686 10.222 10.172 188 HB3 PRO 27 2HB PRO 27 -1.034 9.698 8.520 189 HG2 PRO 27 1HG PRO 27 1.462 10.919 9.634 190 HG3 PRO 27 2HG PRO 27 1.288 9.560 8.509 191 HD2 PRO 27 1HD PRO 27 1.920 12.060 7.686 192 HD3 PRO 27 2HD PRO 27 0.964 10.941 6.693 193 H CYS 28 H CYS 28 -2.906 11.944 10.574 194 HA CYS 28 HA CYS 28 -1.933 14.324 11.888 195 HB2 CYS 28 1HB CYS 28 -4.319 12.534 12.266 196 HB3 CYS 28 2HB CYS 28 -3.909 13.753 13.466 197 HG CYS 28 HG CYS 28 -5.945 14.295 11.263 198 H ALA 29 H ALA 29 -1.846 14.312 14.348 199 HA ALA 29 HA ALA 29 0.122 12.374 15.147 200 HB1 ALA 29 1HB ALA 29 -0.993 14.876 16.276 201 HB2 ALA 29 2HB ALA 29 -0.276 13.725 17.403 202 HB3 ALA 29 3HB ALA 29 0.684 14.370 16.072 203 H TYR 30 H TYR 30 -3.212 13.147 16.060 204 HA TYR 30 HA TYR 30 -3.392 11.214 18.128 205 HB2 TYR 30 1HB TYR 30 -5.894 11.552 17.800 206 HB3 TYR 30 2HB TYR 30 -4.959 12.989 18.198 207 HD1 TYR 30 2HD TYR 30 -4.492 14.684 16.461 208 HD2 TYR 30 1HD TYR 30 -7.013 11.343 15.693 209 HE1 TYR 30 2HE TYR 30 -5.382 15.821 14.470 210 HE2 TYR 30 1HE TYR 30 -7.909 12.470 13.699 211 HH TYR 30 HH TYR 30 -8.089 14.534 12.675 212 H ASP 31 H ASP 31 -4.049 11.157 14.678 213 HA ASP 31 HA ASP 31 -5.315 8.595 14.686 214 HB2 ASP 31 1HB ASP 31 -5.467 10.481 12.911 215 HB3 ASP 31 2HB ASP 31 -3.970 9.798 12.283 216 H LYS 32 H LYS 32 -4.006 7.108 15.698 217 HA LYS 32 HA LYS 32 -1.244 6.779 14.982 218 HB2 LYS 32 1HB LYS 32 -1.191 5.029 16.579 219 HB3 LYS 32 2HB LYS 32 -2.256 6.259 17.247 220 HG2 LYS 32 1HG LYS 32 -3.434 4.027 15.665 221 HG3 LYS 32 2HG LYS 32 -2.915 3.734 17.327 222 HD2 LYS 32 1HD LYS 32 -4.289 5.836 17.899 223 HD3 LYS 32 2HD LYS 32 -5.031 5.605 16.314 224 HE2 LYS 32 1HE LYS 32 -5.643 3.303 16.985 225 HE3 LYS 32 2HE LYS 32 -4.982 3.622 18.588 226 HZ1 LYS 32 1HZ LYS 32 -7.261 5.042 17.320 227 HZ2 LYS 32 2HZ LYS 32 -6.604 5.421 18.832 228 HZ3 LYS 32 3HZ LYS 32 -7.359 3.927 18.589 229 H THR 33 H THR 33 -4.188 5.772 13.654 230 HA THR 33 HA THR 33 -3.032 3.410 12.374 231 HB THR 33 HB THR 33 -5.258 2.896 11.591 232 HG1 THR 33 1HG THR 33 -6.011 5.403 12.728 233 HG21 THR 33 1HG2 THR 33 -4.969 2.085 13.768 234 HG22 THR 33 2HG2 THR 33 -6.503 2.952 13.842 235 HG23 THR 33 3HG2 THR 33 -5.037 3.698 14.476 236 H ALA 34 H ALA 34 -2.741 6.518 11.805 237 HA ALA 34 HA ALA 34 -3.394 6.490 8.957 238 HB1 ALA 34 1HB ALA 34 -3.233 8.797 8.977 239 HB2 ALA 34 2HB ALA 34 -3.847 8.449 10.593 240 HB3 ALA 34 3HB ALA 34 -2.138 8.813 10.359 241 H LEU 35 H LEU 35 -1.925 5.695 7.611 242 HA LEU 35 HA LEU 35 0.852 5.497 8.342 243 HB2 LEU 35 1HB LEU 35 -0.675 3.926 6.865 244 HB3 LEU 35 2HB LEU 35 -0.096 4.973 5.571 245 HG LEU 35 HG LEU 35 1.749 3.485 7.429 246 HD11 LEU 35 1HD1 LEU 35 1.590 1.611 6.223 247 HD12 LEU 35 2HD1 LEU 35 1.481 2.488 4.697 248 HD13 LEU 35 3HD1 LEU 35 0.039 2.257 5.686 249 HD21 LEU 35 1HD2 LEU 35 3.438 4.329 6.215 250 HD22 LEU 35 2HD2 LEU 35 2.265 5.564 5.757 251 HD23 LEU 35 3HD2 LEU 35 2.554 4.185 4.696 252 H ALA 36 H ALA 36 2.483 6.798 7.763 253 HA ALA 36 HA ALA 36 1.835 9.164 6.169 254 HB1 ALA 36 1HB ALA 36 3.243 10.294 7.480 255 HB2 ALA 36 2HB ALA 36 3.226 8.871 8.522 256 HB3 ALA 36 3HB ALA 36 4.505 9.071 7.325 257 H LEU 37 H LEU 37 2.822 9.667 4.270 258 HA LEU 37 HA LEU 37 4.976 7.932 3.304 259 HB2 LEU 37 1HB LEU 37 2.533 8.622 1.680 260 HB3 LEU 37 2HB LEU 37 3.907 7.654 1.150 261 HG LEU 37 HG LEU 37 2.221 6.779 3.470 262 HD11 LEU 37 1HD1 LEU 37 0.796 5.537 1.981 263 HD12 LEU 37 2HD1 LEU 37 1.669 6.147 0.575 264 HD13 LEU 37 3HD1 LEU 37 0.714 7.249 1.566 265 HD21 LEU 37 1HD2 LEU 37 3.018 4.609 1.974 266 HD22 LEU 37 2HD2 LEU 37 3.800 5.203 3.440 267 HD23 LEU 37 3HD2 LEU 37 4.393 5.708 1.857 268 H GLU 38 H GLU 38 5.988 8.820 1.288 269 HA GLU 38 HA GLU 38 5.795 11.755 1.178 270 HB2 GLU 38 1HB GLU 38 8.151 12.005 1.158 271 HB3 GLU 38 2HB GLU 38 7.793 10.919 2.492 272 HG2 GLU 38 1HG GLU 38 8.269 9.027 0.846 273 HG3 GLU 38 2HG GLU 38 8.984 10.271 -0.178 274 H VAL 39 H VAL 39 5.921 12.669 -0.819 275 HA VAL 39 HA VAL 39 5.118 11.406 -3.071 276 HB VAL 39 HB VAL 39 7.075 13.706 -2.967 277 HG11 VAL 39 1HG1 VAL 39 5.228 12.963 -5.226 278 HG12 VAL 39 2HG1 VAL 39 6.477 14.209 -5.214 279 HG13 VAL 39 3HG1 VAL 39 6.930 12.505 -5.169 280 HG21 VAL 39 1HG2 VAL 39 4.894 13.994 -1.761 281 HG22 VAL 39 2HG2 VAL 39 5.178 15.146 -3.066 282 HG23 VAL 39 3HG2 VAL 39 4.084 13.786 -3.313 283 H GLY 40 H GLY 40 5.903 9.575 -3.904 284 HA2 GLY 40 1HA GLY 40 7.461 8.541 -5.382 285 HA3 GLY 40 2HA GLY 40 8.733 9.538 -4.690 286 H ASP 41 H ASP 41 6.310 7.455 -3.133 287 HA ASP 41 HA ASP 41 8.511 5.793 -2.107 288 HB2 ASP 41 1HB ASP 41 7.407 7.549 -0.480 289 HB3 ASP 41 2HB ASP 41 6.130 6.339 -0.380 290 H ILE 42 H ILE 42 8.126 3.624 -1.993 291 HA ILE 42 HA ILE 42 5.771 2.669 -3.400 292 HB ILE 42 HB ILE 42 8.101 1.078 -2.326 293 HG12 ILE 42 1HG1 ILE 42 8.731 2.832 -4.005 294 HG13 ILE 42 2HG1 ILE 42 9.060 1.184 -4.529 295 HG21 ILE 42 1HG2 ILE 42 6.623 0.080 -4.640 296 HG22 ILE 42 2HG2 ILE 42 7.158 -0.761 -3.186 297 HG23 ILE 42 3HG2 ILE 42 5.663 0.174 -3.164 298 HD11 ILE 42 1HD1 ILE 42 7.720 3.113 -5.955 299 HD12 ILE 42 2HD1 ILE 42 7.720 1.381 -6.287 300 HD13 ILE 42 3HD1 ILE 42 6.425 2.094 -5.326 301 H VAL 43 H VAL 43 4.037 1.809 -2.461 302 HA VAL 43 HA VAL 43 4.186 1.169 0.410 303 HB VAL 43 HB VAL 43 1.690 1.822 -1.156 304 HG11 VAL 43 1HG1 VAL 43 2.312 1.250 1.699 305 HG12 VAL 43 2HG1 VAL 43 1.023 2.395 1.324 306 HG13 VAL 43 3HG1 VAL 43 0.938 0.741 0.719 307 HG21 VAL 43 1HG2 VAL 43 1.910 4.005 0.243 308 HG22 VAL 43 2HG2 VAL 43 3.624 3.591 0.282 309 HG23 VAL 43 3HG2 VAL 43 2.813 3.841 -1.263 310 H LYS 44 H LYS 44 4.607 -0.974 0.488 311 HA LYS 44 HA LYS 44 3.335 -2.834 -1.317 312 HB2 LYS 44 1HB LYS 44 5.683 -3.097 -0.455 313 HB3 LYS 44 2HB LYS 44 5.001 -3.445 1.128 314 HG2 LYS 44 1HG LYS 44 3.666 -5.274 -0.180 315 HG3 LYS 44 2HG LYS 44 4.972 -5.090 -1.353 316 HD2 LYS 44 1HD LYS 44 6.615 -5.559 0.393 317 HD3 LYS 44 2HD LYS 44 5.317 -5.719 1.579 318 HE2 LYS 44 1HE LYS 44 5.274 -7.396 -0.891 319 HE3 LYS 44 2HE LYS 44 6.345 -7.838 0.439 320 HZ1 LYS 44 1HZ LYS 44 4.609 -8.348 1.793 321 HZ2 LYS 44 2HZ LYS 44 3.893 -8.723 0.307 322 HZ3 LYS 44 3HZ LYS 44 3.547 -7.250 1.064 323 H VAL 45 H VAL 45 1.243 -3.262 -1.014 324 HA VAL 45 HA VAL 45 0.241 -3.563 1.734 325 HB VAL 45 HB VAL 45 -1.127 -1.993 0.697 326 HG11 VAL 45 1HG1 VAL 45 -0.672 -1.807 -1.509 327 HG12 VAL 45 2HG1 VAL 45 -0.555 -3.552 -1.744 328 HG13 VAL 45 3HG1 VAL 45 -2.137 -2.776 -1.666 329 HG21 VAL 45 1HG2 VAL 45 -3.225 -2.944 0.754 330 HG22 VAL 45 2HG2 VAL 45 -2.706 -4.402 -0.092 331 HG23 VAL 45 3HG2 VAL 45 -2.270 -4.162 1.600 332 H THR 46 H THR 46 -0.741 -5.420 2.409 333 HA THR 46 HA THR 46 -0.740 -7.677 0.512 334 HB THR 46 HB THR 46 -0.129 -9.183 2.276 335 HG1 THR 46 1HG THR 46 0.425 -8.033 4.392 336 HG21 THR 46 1HG2 THR 46 1.714 -7.959 1.185 337 HG22 THR 46 2HG2 THR 46 2.097 -8.385 2.853 338 HG23 THR 46 3HG2 THR 46 1.630 -6.733 2.450 339 H ARG 47 H ARG 47 -2.455 -5.897 2.927 340 HA ARG 47 HA ARG 47 -4.711 -7.780 2.706 341 HB2 ARG 47 1HB ARG 47 -3.939 -5.950 4.982 342 HB3 ARG 47 2HB ARG 47 -5.474 -6.802 4.893 343 HG2 ARG 47 1HG ARG 47 -4.045 -8.927 4.675 344 HG3 ARG 47 2HG ARG 47 -2.724 -7.918 5.267 345 HD2 ARG 47 1HD ARG 47 -4.450 -7.275 7.125 346 HD3 ARG 47 2HD ARG 47 -5.221 -8.788 6.652 347 HE ARG 47 HE ARG 47 -2.640 -9.502 7.025 348 HH11 ARG 47 2HH1 ARG 47 -4.950 -7.780 8.979 349 HH12 ARG 47 1HH1 ARG 47 -4.275 -8.317 10.482 350 HH21 ARG 47 2HH2 ARG 47 -1.743 -10.216 8.997 351 HH22 ARG 47 1HH2 ARG 47 -2.451 -9.702 10.491 352 H MET 48 H MET 48 -6.361 -7.045 1.555 353 HA MET 48 HA MET 48 -6.785 -4.133 1.407 354 HB2 MET 48 1HB MET 48 -7.173 -6.270 -0.682 355 HB3 MET 48 2HB MET 48 -7.898 -4.674 -0.823 356 HG2 MET 48 1HG MET 48 -5.434 -3.871 -0.419 357 HG3 MET 48 2HG MET 48 -5.046 -5.487 -1.006 358 HE1 MET 48 1HE MET 48 -4.421 -2.903 -3.999 359 HE2 MET 48 2HE MET 48 -4.238 -2.599 -2.271 360 HE3 MET 48 3HE MET 48 -3.637 -4.103 -2.970 361 H ASN 49 H ASN 49 -8.514 -3.543 2.530 362 HA ASN 49 HA ASN 49 -10.624 -5.434 3.120 363 HB2 ASN 49 1HB ASN 49 -10.609 -2.516 3.870 364 HB3 ASN 49 2HB ASN 49 -11.421 -3.849 4.685 365 HD21 ASN 49 1HD2 ASN 49 -9.617 -1.899 5.800 366 HD22 ASN 49 2HD2 ASN 49 -8.280 -2.777 6.454 367 H ILE 50 H ILE 50 -12.883 -4.964 2.745 368 HA ILE 50 HA ILE 50 -13.371 -4.114 0.067 369 HB ILE 50 HB ILE 50 -15.365 -4.737 2.249 370 HG12 ILE 50 1HG1 ILE 50 -14.473 -6.557 0.016 371 HG13 ILE 50 2HG1 ILE 50 -13.684 -6.551 1.590 372 HG21 ILE 50 1HG2 ILE 50 -17.038 -4.714 0.679 373 HG22 ILE 50 2HG2 ILE 50 -16.007 -3.418 0.075 374 HG23 ILE 50 3HG2 ILE 50 -15.933 -5.019 -0.661 375 HD11 ILE 50 1HD1 ILE 50 -16.574 -6.779 1.776 376 HD12 ILE 50 2HD1 ILE 50 -15.826 -8.093 0.867 377 HD13 ILE 50 3HD1 ILE 50 -15.305 -7.753 2.517 378 H ASN 51 H ASN 51 -13.949 -2.718 3.256 379 HA ASN 51 HA ASN 51 -15.608 -0.621 2.692 380 HB2 ASN 51 1HB ASN 51 -14.935 0.311 4.690 381 HB3 ASN 51 2HB ASN 51 -14.346 -1.335 4.901 382 HD21 ASN 51 1HD2 ASN 51 -12.257 -1.641 5.292 383 HD22 ASN 51 2HD2 ASN 51 -11.036 -0.422 5.200 384 H GLY 52 H GLY 52 -12.071 -0.670 2.306 385 HA2 GLY 52 1HA GLY 52 -11.673 0.563 -0.002 386 HA3 GLY 52 2HA GLY 52 -12.163 1.933 0.984 387 H GLN 53 H GLN 53 -10.935 1.382 3.378 388 HA GLN 53 HA GLN 53 -8.262 2.186 2.825 389 HB2 GLN 53 1HB GLN 53 -9.762 1.517 5.342 390 HB3 GLN 53 2HB GLN 53 -8.036 1.852 5.377 391 HG2 GLN 53 1HG GLN 53 -10.303 3.681 4.729 392 HG3 GLN 53 2HG GLN 53 -8.973 3.902 5.865 393 HE21 GLN 53 1HE2 GLN 53 -7.028 4.685 5.144 394 HE22 GLN 53 2HE2 GLN 53 -6.802 5.335 3.560 395 H TRP 54 H TRP 54 -6.501 0.991 2.536 396 HA TRP 54 HA TRP 54 -6.676 -1.891 3.075 397 HB2 TRP 54 1HB TRP 54 -4.592 -0.506 1.387 398 HB3 TRP 54 2HB TRP 54 -5.009 -2.217 1.407 399 HD1 TRP 54 HD TRP 54 -8.238 -1.677 1.212 400 HE1 TRP 54 1HE TRP 54 -9.198 -1.021 -1.085 401 HE3 TRP 54 3HE TRP 54 -3.950 0.000 -1.010 402 HZ2 TRP 54 2HZ TRP 54 -8.261 0.063 -3.516 403 HZ3 TRP 54 3HZ TRP 54 -4.068 0.830 -3.324 404 HH2 TRP 54 HH TRP 54 -6.179 0.859 -4.549 405 H GLU 55 H GLU 55 -4.483 -2.912 3.610 406 HA GLU 55 HA GLU 55 -3.150 -1.254 5.649 407 HB2 GLU 55 1HB GLU 55 -4.569 -3.327 6.332 408 HB3 GLU 55 2HB GLU 55 -3.196 -4.253 5.740 409 HG2 GLU 55 1HG GLU 55 -1.824 -2.686 7.306 410 HG3 GLU 55 2HG GLU 55 -3.381 -2.434 8.092 411 H GLY 56 H GLY 56 -1.225 -0.624 4.923 412 HA2 GLY 56 1HA GLY 56 0.469 -2.644 3.593 413 HA3 GLY 56 2HA GLY 56 0.380 -0.991 3.004 414 H GLU 57 H GLU 57 2.814 -2.026 3.603 415 HA GLU 57 HA GLU 57 3.494 -0.746 6.170 416 HB2 GLU 57 1HB GLU 57 3.887 -3.238 5.997 417 HB3 GLU 57 2HB GLU 57 5.102 -2.886 4.777 418 HG2 GLU 57 1HG GLU 57 5.305 -1.494 7.389 419 HG3 GLU 57 2HG GLU 57 5.724 -3.205 7.318 420 H VAL 58 H VAL 58 4.609 1.073 6.004 421 HA VAL 58 HA VAL 58 6.548 1.388 3.832 422 HB VAL 58 HB VAL 58 4.404 3.414 4.483 423 HG11 VAL 58 1HG1 VAL 58 5.882 4.161 2.200 424 HG12 VAL 58 2HG1 VAL 58 5.793 4.987 3.757 425 HG13 VAL 58 3HG1 VAL 58 7.049 3.782 3.467 426 HG21 VAL 58 1HG2 VAL 58 4.269 1.266 2.789 427 HG22 VAL 58 2HG2 VAL 58 3.297 2.732 2.659 428 HG23 VAL 58 3HG2 VAL 58 4.776 2.568 1.712 429 H ASN 59 H ASN 59 8.415 2.223 4.519 430 HA ASN 59 HA ASN 59 10.006 3.076 5.904 431 HB2 ASN 59 1HB ASN 59 7.858 4.896 6.988 432 HB3 ASN 59 2HB ASN 59 9.585 5.213 6.855 433 HD21 ASN 59 1HD2 ASN 59 7.128 6.573 5.796 434 HD22 ASN 59 2HD2 ASN 59 7.436 6.765 4.107 435 H GLY 60 H GLY 60 8.875 0.761 6.850 436 HA2 GLY 60 1HA GLY 60 8.720 -0.512 8.753 437 HA3 GLY 60 2HA GLY 60 9.619 0.772 9.549 438 H ARG 61 H ARG 61 6.416 0.975 8.062 439 HA ARG 61 HA ARG 61 5.130 1.051 10.665 440 HB2 ARG 61 1HB ARG 61 5.394 3.436 8.864 441 HB3 ARG 61 2HB ARG 61 3.982 3.259 9.898 442 HG2 ARG 61 1HG ARG 61 5.320 3.301 11.865 443 HG3 ARG 61 2HG ARG 61 6.808 3.193 10.923 444 HD2 ARG 61 1HD ARG 61 6.651 5.453 11.506 445 HD3 ARG 61 2HD ARG 61 6.071 5.388 9.843 446 HE ARG 61 HE ARG 61 3.808 5.147 11.319 447 HH11 ARG 61 2HH1 ARG 61 6.431 7.436 11.274 448 HH12 ARG 61 1HH1 ARG 61 5.451 8.767 11.793 449 HH21 ARG 61 2HH2 ARG 61 2.507 6.892 12.003 450 HH22 ARG 61 1HH2 ARG 61 3.220 8.456 12.208 451 H LYS 62 H LYS 62 2.894 0.726 10.584 452 HA LYS 62 HA LYS 62 1.804 0.093 7.921 453 HB2 LYS 62 1HB LYS 62 1.410 -1.446 10.493 454 HB3 LYS 62 2HB LYS 62 0.531 -1.755 9.002 455 HG2 LYS 62 1HG LYS 62 2.626 -2.308 7.876 456 HG3 LYS 62 2HG LYS 62 3.510 -1.995 9.372 457 HD2 LYS 62 1HD LYS 62 1.272 -3.991 9.275 458 HD3 LYS 62 2HD LYS 62 2.911 -4.431 8.790 459 HE2 LYS 62 1HE LYS 62 3.608 -3.428 11.063 460 HE3 LYS 62 2HE LYS 62 1.901 -3.575 11.480 461 HZ1 LYS 62 1HZ LYS 62 3.235 -5.917 10.346 462 HZ2 LYS 62 2HZ LYS 62 2.003 -5.830 11.502 463 HZ3 LYS 62 3HZ LYS 62 3.603 -5.504 11.944 464 H GLY 63 H GLY 63 0.094 1.294 7.438 465 HA2 GLY 63 1HA GLY 63 -1.921 1.848 9.461 466 HA3 GLY 63 2HA GLY 63 -1.093 3.256 8.812 467 H LEU 64 H LEU 64 -3.756 3.165 8.508 468 HA LEU 64 HA LEU 64 -4.445 1.989 5.956 469 HB2 LEU 64 1HB LEU 64 -6.018 3.787 7.794 470 HB3 LEU 64 2HB LEU 64 -6.655 2.995 6.354 471 HG LEU 64 HG LEU 64 -5.660 1.603 8.841 472 HD11 LEU 64 1HD1 LEU 64 -8.423 1.190 8.114 473 HD12 LEU 64 2HD1 LEU 64 -8.080 2.896 8.398 474 HD13 LEU 64 3HD1 LEU 64 -7.726 1.706 9.650 475 HD21 LEU 64 1HD2 LEU 64 -5.351 -0.091 7.402 476 HD22 LEU 64 2HD2 LEU 64 -6.309 0.675 6.135 477 HD23 LEU 64 3HD2 LEU 64 -7.110 -0.213 7.432 478 H PHE 65 H PHE 65 -4.116 2.947 4.071 479 HA PHE 65 HA PHE 65 -3.985 5.890 3.991 480 HB2 PHE 65 1HB PHE 65 -2.350 5.667 2.147 481 HB3 PHE 65 2HB PHE 65 -1.761 4.962 3.649 482 HD1 PHE 65 1HD PHE 65 -2.021 2.431 3.937 483 HD2 PHE 65 2HD PHE 65 -2.369 4.422 0.191 484 HE1 PHE 65 1HE PHE 65 -1.590 0.307 2.772 485 HE2 PHE 65 2HE PHE 65 -1.939 2.301 -0.980 486 HZ PHE 65 HZ PHE 65 -1.550 0.240 0.310 487 HA PRO 66 HA PRO 66 -7.251 5.704 1.046 488 HB2 PRO 66 1HB PRO 66 -6.867 8.102 -0.168 489 HB3 PRO 66 2HB PRO 66 -7.544 7.946 1.457 490 HG2 PRO 66 1HG PRO 66 -4.743 8.599 0.626 491 HG3 PRO 66 2HG PRO 66 -5.730 9.331 1.905 492 HD2 PRO 66 1HD PRO 66 -3.821 7.481 2.417 493 HD3 PRO 66 2HD PRO 66 -5.300 7.621 3.389 494 H PHE 67 H PHE 67 -7.162 4.383 -0.657 495 HA PHE 67 HA PHE 67 -4.979 3.953 -2.317 496 HB2 PHE 67 1HB PHE 67 -6.596 2.858 -3.858 497 HB3 PHE 67 2HB PHE 67 -6.788 2.350 -2.183 498 HD1 PHE 67 2HD PHE 67 -8.261 4.259 -4.937 499 HD2 PHE 67 1HD PHE 67 -8.758 2.918 -0.928 500 HE1 PHE 67 2HE PHE 67 -10.642 4.870 -5.032 501 HE2 PHE 67 1HE PHE 67 -11.140 3.526 -1.017 502 HZ PHE 67 HZ PHE 67 -12.085 4.505 -3.070 503 H THR 68 H THR 68 -7.405 6.420 -2.425 504 HA THR 68 HA THR 68 -7.154 7.176 -5.134 505 HB THR 68 HB THR 68 -8.050 9.406 -4.334 506 HG1 THR 68 1HG THR 68 -8.218 8.034 -1.840 507 HG21 THR 68 1HG2 THR 68 -10.227 8.597 -4.132 508 HG22 THR 68 2HG2 THR 68 -9.714 7.157 -3.252 509 HG23 THR 68 3HG2 THR 68 -9.398 7.294 -4.982 510 H HIS 69 H HIS 69 -5.328 7.981 -2.253 511 HA HIS 69 HA HIS 69 -3.883 10.153 -3.405 512 HB2 HIS 69 1HB HIS 69 -3.491 8.458 -0.948 513 HB3 HIS 69 2HB HIS 69 -2.304 9.669 -1.425 514 HD1 HIS 69 1HD HIS 69 -6.064 10.076 -1.585 515 HD2 HIS 69 2HD HIS 69 -2.786 11.553 0.497 516 HE1 HIS 69 1HE HIS 69 -6.950 11.977 -0.197 517 HE2 HIS 69 2HE HIS 69 -4.933 12.909 0.988 518 H VAL 70 H VAL 70 -3.365 6.689 -3.156 519 HA VAL 70 HA VAL 70 -0.751 6.937 -4.452 520 HB VAL 70 HB VAL 70 -0.448 4.572 -3.971 521 HG11 VAL 70 1HG1 VAL 70 -0.048 6.387 -2.231 522 HG12 VAL 70 2HG1 VAL 70 -1.542 5.833 -1.472 523 HG13 VAL 70 3HG1 VAL 70 -0.175 4.730 -1.642 524 HG21 VAL 70 1HG2 VAL 70 -2.412 3.735 -2.310 525 HG22 VAL 70 2HG2 VAL 70 -3.341 4.711 -3.447 526 HG23 VAL 70 3HG2 VAL 70 -2.355 3.373 -4.036 527 H LYS 71 H LYS 71 -0.286 5.196 -6.135 528 HA LYS 71 HA LYS 71 -2.621 4.764 -7.871 529 HB2 LYS 71 1HB LYS 71 -1.239 6.712 -8.635 530 HB3 LYS 71 2HB LYS 71 0.110 5.606 -8.852 531 HG2 LYS 71 1HG LYS 71 -1.385 4.304 -10.424 532 HG3 LYS 71 2HG LYS 71 -2.489 5.679 -10.354 533 HD2 LYS 71 1HD LYS 71 0.396 6.126 -10.995 534 HD3 LYS 71 2HD LYS 71 -0.694 5.528 -12.248 535 HE2 LYS 71 1HE LYS 71 -1.443 7.919 -10.614 536 HE3 LYS 71 2HE LYS 71 -0.326 8.088 -11.968 537 HZ1 LYS 71 1HZ LYS 71 -3.093 8.014 -12.065 538 HZ2 LYS 71 2HZ LYS 71 -2.568 6.561 -12.752 539 HZ3 LYS 71 3HZ LYS 71 -2.019 8.036 -13.372 540 H ILE 72 H ILE 72 -2.852 2.714 -8.466 541 HA ILE 72 HA ILE 72 -0.974 0.721 -7.703 542 HB ILE 72 HB ILE 72 -3.358 0.481 -9.543 543 HG12 ILE 72 1HG1 ILE 72 -3.953 1.287 -7.297 544 HG13 ILE 72 2HG1 ILE 72 -4.541 -0.350 -7.563 545 HG21 ILE 72 1HG2 ILE 72 -2.615 -1.575 -9.941 546 HG22 ILE 72 2HG2 ILE 72 -1.309 -1.392 -8.771 547 HG23 ILE 72 3HG2 ILE 72 -2.898 -1.939 -8.239 548 HD11 ILE 72 1HD1 ILE 72 -2.689 -1.237 -6.265 549 HD12 ILE 72 2HD1 ILE 72 -2.068 0.396 -6.021 550 HD13 ILE 72 3HD1 ILE 72 -3.621 -0.070 -5.328 551 H PHE 73 H PHE 73 0.772 0.050 -8.746 552 HA PHE 73 HA PHE 73 0.823 -0.040 -11.646 553 HB2 PHE 73 1HB PHE 73 2.560 1.440 -12.015 554 HB3 PHE 73 2HB PHE 73 1.702 2.256 -10.713 555 HD1 PHE 73 1HD PHE 73 2.512 1.293 -8.283 556 HD2 PHE 73 2HD PHE 73 4.835 1.487 -11.844 557 HE1 PHE 73 1HE PHE 73 4.570 1.307 -6.935 558 HE2 PHE 73 2HE PHE 73 6.897 1.500 -10.502 559 HZ PHE 73 HZ PHE 73 6.767 1.409 -8.045 560 H ASP 74 H ASP 74 2.428 -1.417 -12.487 561 HA ASP 74 HA ASP 74 3.435 -3.343 -10.532 562 HB2 ASP 74 1HB ASP 74 4.008 -4.602 -12.749 563 HB3 ASP 74 2HB ASP 74 2.335 -4.516 -12.204 564 HA PRO 75 HA PRO 75 7.380 -1.215 -11.036 565 HB2 PRO 75 1HB PRO 75 8.553 -2.429 -8.910 566 HB3 PRO 75 2HB PRO 75 7.459 -1.051 -8.746 567 HG2 PRO 75 1HG PRO 75 6.897 -3.969 -8.386 568 HG3 PRO 75 2HG PRO 75 6.369 -2.597 -7.394 569 HD2 PRO 75 1HD PRO 75 4.755 -3.784 -9.216 570 HD3 PRO 75 2HD PRO 75 4.654 -2.053 -8.835 571 H GLN 76 H GLN 76 6.432 -4.314 -11.672 572 HA GLN 76 HA GLN 76 7.374 -6.075 -12.760 573 HB2 GLN 76 1HB GLN 76 9.194 -3.817 -13.426 574 HB3 GLN 76 2HB GLN 76 9.754 -5.445 -13.787 575 HG2 GLN 76 1HG GLN 76 7.904 -5.846 -15.227 576 HG3 GLN 76 2HG GLN 76 7.114 -4.354 -14.721 577 HE21 GLN 76 1HE2 GLN 76 7.066 -4.050 -17.089 578 HE22 GLN 76 2HE2 GLN 76 8.428 -3.296 -17.838 579 H ASN 77 H ASN 77 7.596 -6.337 -10.140 580 HA ASN 77 HA ASN 77 10.363 -7.251 -9.701 581 HB2 ASN 77 1HB ASN 77 8.401 -5.956 -7.836 582 HB3 ASN 77 2HB ASN 77 9.644 -7.029 -7.199 583 HD21 ASN 77 1HD2 ASN 77 11.398 -6.040 -6.547 584 HD22 ASN 77 2HD2 ASN 77 12.032 -4.559 -7.173 585 HA PRO 78 HA PRO 78 8.636 -11.307 -9.433 586 HB2 PRO 78 1HB PRO 78 10.766 -12.539 -8.285 587 HB3 PRO 78 2HB PRO 78 10.735 -12.061 -9.987 588 HG2 PRO 78 1HG PRO 78 11.993 -10.672 -7.653 589 HG3 PRO 78 2HG PRO 78 12.640 -10.929 -9.283 590 HD2 PRO 78 1HD PRO 78 11.549 -8.577 -8.504 591 HD3 PRO 78 2HD PRO 78 11.442 -9.173 -10.173 592 H ASP 79 H ASP 79 9.233 -9.270 -6.851 593 HA ASP 79 HA ASP 79 9.242 -10.686 -4.546 594 HB2 ASP 79 1HB ASP 79 9.046 -8.178 -4.801 595 HB3 ASP 79 2HB ASP 79 7.312 -8.408 -5.003 596 H GLU 80 H GLU 80 7.624 -11.512 -3.111 597 HA GLU 80 HA GLU 80 4.943 -11.951 -3.990 598 HB2 GLU 80 1HB GLU 80 5.041 -14.384 -4.191 599 HB3 GLU 80 2HB GLU 80 6.071 -13.616 -5.391 600 HG2 GLU 80 1HG GLU 80 7.434 -15.294 -4.664 601 HG3 GLU 80 2HG GLU 80 7.934 -13.982 -3.599 602 H ASN 81 H ASN 81 3.687 -12.151 -2.250 603 HA ASN 81 HA ASN 81 4.789 -12.131 0.357 604 HB2 ASN 81 1HB ASN 81 2.495 -11.229 -0.543 605 HB3 ASN 81 2HB ASN 81 1.922 -12.847 -0.148 606 HD21 ASN 81 1HD2 ASN 81 0.825 -10.730 1.107 607 HD22 ASN 81 2HD2 ASN 81 1.325 -10.681 2.760 608 H GLU 82 H GLU 82 4.127 -13.682 2.090 609 HA GLU 82 HA GLU 82 4.218 -16.448 1.074 610 HB2 GLU 82 1HB GLU 82 6.314 -15.770 2.168 611 HB3 GLU 82 2HB GLU 82 5.421 -15.353 3.623 612 HG2 GLU 82 1HG GLU 82 6.346 -17.451 4.058 613 HG3 GLU 82 2HG GLU 82 4.657 -17.771 3.670 614 H SER 83 H SER 83 3.209 -14.468 3.854 615 HA SER 83 HA SER 83 1.775 -16.143 5.372 616 HB2 SER 83 1HB SER 83 1.277 -13.324 4.537 617 HB3 SER 83 2HB SER 83 0.000 -14.157 5.423 618 HG SER 83 HG SER 83 1.121 -13.701 7.130 619 H GLY 84 H GLY 84 0.550 -14.703 2.357 620 HA2 GLY 84 1HA GLY 84 -0.839 -15.766 0.796 621 HA3 GLY 84 2HA GLY 84 -1.150 -17.036 1.970 622 HA PRO 85 HA PRO 85 -4.046 -13.278 3.021 623 HB2 PRO 85 1HB PRO 85 -4.386 -11.489 1.007 624 HB3 PRO 85 2HB PRO 85 -3.142 -11.311 2.250 625 HG2 PRO 85 1HG PRO 85 -2.893 -12.366 -0.540 626 HG3 PRO 85 2HG PRO 85 -1.815 -11.268 0.341 627 HD2 PRO 85 1HD PRO 85 -1.288 -13.908 0.055 628 HD3 PRO 85 2HD PRO 85 -0.798 -12.986 1.492 629 H SER 86 H SER 86 -3.871 -15.330 0.411 630 HA SER 86 HA SER 86 -6.008 -15.043 -1.198 631 HB2 SER 86 1HB SER 86 -4.356 -17.068 -0.846 632 HB3 SER 86 2HB SER 86 -5.693 -17.725 0.097 633 HG SER 86 HG SER 86 -6.907 -16.994 -1.973 634 H SER 87 H SER 87 -6.150 -16.291 2.121 635 HA SER 87 HA SER 87 -8.913 -15.406 2.316 636 HB2 SER 87 1HB SER 87 -9.873 -17.472 2.820 637 HB3 SER 87 2HB SER 87 -8.757 -17.886 1.518 638 HG SER 87 HG SER 87 -7.259 -18.211 3.486 639 H GLY 88 H GLY 88 -9.285 -14.509 4.243 640 HA2 GLY 88 1HA GLY 88 -7.530 -15.276 6.491 641 HA3 GLY 88 2HA GLY 88 -7.872 -13.590 6.129 Start of MODEL 15 1 H1 GLY 1 H GLY 1 9.734 -5.992 21.089 2 HA2 GLY 1 1HA GLY 1 8.977 -5.978 18.573 3 HA3 GLY 1 2HA GLY 1 10.690 -6.102 18.945 4 H SER 2 H SER 2 11.716 -7.686 17.942 5 HA SER 2 HA SER 2 10.548 -10.314 17.708 6 HB2 SER 2 1HB SER 2 10.887 -8.514 15.331 7 HB3 SER 2 2HB SER 2 11.086 -10.256 15.147 8 HG SER 2 HG SER 2 9.004 -10.450 15.224 9 H SER 3 H SER 3 12.114 -11.733 18.058 10 HA SER 3 HA SER 3 14.739 -11.163 18.555 11 HB2 SER 3 1HB SER 3 15.189 -13.508 18.442 12 HB3 SER 3 2HB SER 3 13.524 -13.343 18.999 13 HG SER 3 HG SER 3 14.385 -13.931 16.359 14 H GLY 4 H GLY 4 13.359 -12.225 15.456 15 HA2 GLY 4 1HA GLY 4 14.425 -10.882 13.557 16 HA3 GLY 4 2HA GLY 4 15.926 -11.561 14.168 17 H SER 5 H SER 5 13.402 -11.967 12.002 18 HA SER 5 HA SER 5 12.589 -13.764 10.804 19 HB2 SER 5 1HB SER 5 14.200 -14.516 9.298 20 HB3 SER 5 2HB SER 5 14.927 -13.025 9.895 21 HG SER 5 HG SER 5 15.982 -14.475 11.493 22 H SER 6 H SER 6 12.369 -14.418 13.448 23 HA SER 6 HA SER 6 13.666 -16.794 14.222 24 HB2 SER 6 1HB SER 6 12.005 -16.951 15.964 25 HB3 SER 6 2HB SER 6 12.412 -15.248 15.752 26 HG SER 6 HG SER 6 10.181 -16.523 14.549 27 H GLY 7 H GLY 7 10.740 -16.187 12.367 28 HA2 GLY 7 1HA GLY 7 10.569 -19.092 11.852 29 HA3 GLY 7 2HA GLY 7 9.140 -18.088 12.045 30 HA PRO 8 HA PRO 8 11.265 -17.007 7.801 31 HB2 PRO 8 1HB PRO 8 12.843 -18.982 6.809 32 HB3 PRO 8 2HB PRO 8 13.467 -17.665 7.809 33 HG2 PRO 8 1HG PRO 8 12.763 -20.467 8.591 34 HG3 PRO 8 2HG PRO 8 14.168 -19.493 9.063 35 HD2 PRO 8 1HD PRO 8 12.019 -19.829 10.676 36 HD3 PRO 8 2HD PRO 8 12.986 -18.340 10.671 37 H LEU 9 H LEU 9 10.530 -17.617 5.713 38 HA LEU 9 HA LEU 9 9.141 -20.170 5.459 39 HB2 LEU 9 1HB LEU 9 7.813 -17.490 5.096 40 HB3 LEU 9 2HB LEU 9 7.117 -19.026 4.583 41 HG LEU 9 HG LEU 9 7.863 -18.616 7.450 42 HD11 LEU 9 1HD1 LEU 9 6.084 -17.323 7.957 43 HD12 LEU 9 2HD1 LEU 9 5.089 -17.990 6.663 44 HD13 LEU 9 3HD1 LEU 9 6.302 -16.763 6.298 45 HD21 LEU 9 1HD2 LEU 9 7.237 -20.821 6.990 46 HD22 LEU 9 2HD2 LEU 9 5.940 -20.324 5.904 47 HD23 LEU 9 3HD2 LEU 9 5.774 -20.084 7.644 48 HA PRO 10 HA PRO 10 10.623 -20.016 1.328 49 HB2 PRO 10 1HB PRO 10 8.722 -21.471 0.047 50 HB3 PRO 10 2HB PRO 10 9.920 -22.194 1.127 51 HG2 PRO 10 1HG PRO 10 7.069 -21.463 1.677 52 HG3 PRO 10 2HG PRO 10 7.961 -22.922 2.147 53 HD2 PRO 10 1HD PRO 10 7.514 -20.872 3.859 54 HD3 PRO 10 2HD PRO 10 8.975 -21.878 3.934 55 H SER 11 H SER 11 10.128 -19.275 -0.842 56 HA SER 11 HA SER 11 8.753 -16.833 -0.894 57 HB2 SER 11 1HB SER 11 10.612 -17.590 -2.452 58 HB3 SER 11 2HB SER 11 9.387 -18.509 -3.327 59 HG SER 11 HG SER 11 9.119 -15.741 -2.810 60 H THR 12 H THR 12 6.632 -16.598 -0.672 61 HA THR 12 HA THR 12 4.730 -18.618 -1.224 62 HB THR 12 HB THR 12 3.040 -16.770 -0.934 63 HG1 THR 12 1HG THR 12 5.268 -15.168 -0.209 64 HG21 THR 12 1HG2 THR 12 3.965 -16.235 1.487 65 HG22 THR 12 2HG2 THR 12 5.122 -17.498 1.067 66 HG23 THR 12 3HG2 THR 12 3.394 -17.847 1.058 67 H GLN 13 H GLN 13 3.220 -18.811 -2.875 68 HA GLN 13 HA GLN 13 4.089 -18.133 -5.464 69 HB2 GLN 13 1HB GLN 13 2.684 -20.083 -5.025 70 HB3 GLN 13 2HB GLN 13 1.362 -19.037 -4.524 71 HG2 GLN 13 1HG GLN 13 0.939 -18.318 -6.685 72 HG3 GLN 13 2HG GLN 13 2.537 -18.790 -7.260 73 HE21 GLN 13 1HE2 GLN 13 0.357 -19.509 -8.687 74 HE22 GLN 13 2HE2 GLN 13 0.087 -21.210 -8.558 75 H ASN 14 H ASN 14 1.124 -17.037 -3.804 76 HA ASN 14 HA ASN 14 0.525 -14.998 -5.628 77 HB2 ASN 14 1HB ASN 14 -1.265 -15.591 -4.266 78 HB3 ASN 14 2HB ASN 14 -0.288 -15.576 -2.801 79 HD21 ASN 14 1HD2 ASN 14 -0.819 -14.005 -1.487 80 HD22 ASN 14 2HD2 ASN 14 -1.352 -12.425 -1.940 81 H GLY 15 H GLY 15 1.032 -12.854 -5.746 82 HA2 GLY 15 1HA GLY 15 3.162 -11.940 -3.918 83 HA3 GLY 15 2HA GLY 15 3.005 -11.429 -5.592 84 HA PRO 16 HA PRO 16 0.562 -8.721 -2.438 85 HB2 PRO 16 1HB PRO 16 2.463 -6.944 -1.662 86 HB3 PRO 16 2HB PRO 16 2.117 -8.431 -0.771 87 HG2 PRO 16 1HG PRO 16 4.306 -7.863 -2.732 88 HG3 PRO 16 2HG PRO 16 4.387 -8.724 -1.184 89 HD2 PRO 16 1HD PRO 16 4.285 -10.012 -3.564 90 HD3 PRO 16 2HD PRO 16 3.564 -10.680 -2.085 91 H VAL 17 H VAL 17 -0.082 -6.536 -2.857 92 HA VAL 17 HA VAL 17 0.478 -5.720 -5.592 93 HB VAL 17 HB VAL 17 -1.500 -4.618 -3.592 94 HG11 VAL 17 1HG1 VAL 17 -2.180 -4.032 -6.290 95 HG12 VAL 17 2HG1 VAL 17 -1.822 -2.912 -4.974 96 HG13 VAL 17 3HG1 VAL 17 -0.521 -3.505 -6.007 97 HG21 VAL 17 1HG2 VAL 17 -1.594 -6.805 -5.570 98 HG22 VAL 17 2HG2 VAL 17 -2.496 -6.592 -4.069 99 HG23 VAL 17 3HG2 VAL 17 -2.995 -5.735 -5.528 100 H PHE 18 H PHE 18 1.514 -3.889 -6.198 101 HA PHE 18 HA PHE 18 2.725 -2.288 -4.046 102 HB2 PHE 18 1HB PHE 18 3.685 -3.009 -6.806 103 HB3 PHE 18 2HB PHE 18 4.373 -1.651 -5.923 104 HD1 PHE 18 1HD PHE 18 5.159 -2.209 -3.478 105 HD2 PHE 18 2HD PHE 18 4.652 -5.080 -6.579 106 HE1 PHE 18 1HE PHE 18 6.681 -3.743 -2.302 107 HE2 PHE 18 2HE PHE 18 6.172 -6.619 -5.408 108 HZ PHE 18 HZ PHE 18 7.189 -5.952 -3.266 109 H ALA 19 H ALA 19 2.625 -0.073 -4.098 110 HA ALA 19 HA ALA 19 1.440 1.293 -6.363 111 HB1 ALA 19 1HB ALA 19 -0.641 1.132 -5.554 112 HB2 ALA 19 2HB ALA 19 -0.084 0.652 -3.950 113 HB3 ALA 19 3HB ALA 19 -0.124 2.358 -4.396 114 H LYS 20 H LYS 20 2.652 3.034 -6.647 115 HA LYS 20 HA LYS 20 4.267 4.094 -4.504 116 HB2 LYS 20 1HB LYS 20 5.415 5.292 -6.135 117 HB3 LYS 20 2HB LYS 20 4.900 3.854 -7.006 118 HG2 LYS 20 1HG LYS 20 2.930 5.181 -7.824 119 HG3 LYS 20 2HG LYS 20 3.704 6.609 -7.132 120 HD2 LYS 20 1HD LYS 20 5.265 4.857 -8.975 121 HD3 LYS 20 2HD LYS 20 4.074 5.970 -9.651 122 HE2 LYS 20 1HE LYS 20 6.106 6.926 -7.670 123 HE3 LYS 20 2HE LYS 20 6.529 6.752 -9.373 124 HZ1 LYS 20 1HZ LYS 20 5.469 8.960 -8.323 125 HZ2 LYS 20 2HZ LYS 20 4.062 8.178 -8.842 126 HZ3 LYS 20 3HZ LYS 20 5.296 8.521 -9.947 127 H ALA 21 H ALA 21 3.959 5.938 -3.380 128 HA ALA 21 HA ALA 21 1.366 7.135 -3.393 129 HB1 ALA 21 1HB ALA 21 2.257 7.085 -1.275 130 HB2 ALA 21 2HB ALA 21 3.872 7.534 -1.826 131 HB3 ALA 21 3HB ALA 21 2.597 8.750 -1.748 132 H ILE 22 H ILE 22 0.833 8.358 -5.109 133 HA ILE 22 HA ILE 22 2.691 9.988 -6.527 134 HB ILE 22 HB ILE 22 0.857 10.718 -7.855 135 HG12 ILE 22 1HG1 ILE 22 -1.032 9.527 -5.818 136 HG13 ILE 22 2HG1 ILE 22 -0.632 11.240 -5.893 137 HG21 ILE 22 1HG2 ILE 22 -0.172 8.612 -8.523 138 HG22 ILE 22 2HG2 ILE 22 1.544 8.396 -8.185 139 HG23 ILE 22 3HG2 ILE 22 0.341 7.871 -7.008 140 HD11 ILE 22 1HD1 ILE 22 -1.501 11.259 -8.227 141 HD12 ILE 22 2HD1 ILE 22 -2.056 9.604 -7.971 142 HD13 ILE 22 3HD1 ILE 22 -2.712 10.915 -6.992 143 H GLN 23 H GLN 23 0.520 10.505 -3.853 144 HA GLN 23 HA GLN 23 1.339 13.335 -3.789 145 HB2 GLN 23 1HB GLN 23 -1.183 12.631 -4.188 146 HB3 GLN 23 2HB GLN 23 -1.169 12.449 -2.439 147 HG2 GLN 23 1HG GLN 23 -1.935 14.679 -3.376 148 HG3 GLN 23 2HG GLN 23 -0.734 14.713 -2.086 149 HE21 GLN 23 1HE2 GLN 23 -1.323 15.218 -5.474 150 HE22 GLN 23 2HE2 GLN 23 0.141 16.073 -5.809 151 H LYS 24 H LYS 24 1.954 14.203 -1.828 152 HA LYS 24 HA LYS 24 3.055 12.391 0.065 153 HB2 LYS 24 1HB LYS 24 4.040 14.606 -0.462 154 HB3 LYS 24 2HB LYS 24 2.662 15.380 0.308 155 HG2 LYS 24 1HG LYS 24 3.286 14.200 2.421 156 HG3 LYS 24 2HG LYS 24 4.759 13.663 1.612 157 HD2 LYS 24 1HD LYS 24 5.342 16.033 1.193 158 HD3 LYS 24 2HD LYS 24 3.914 16.517 2.111 159 HE2 LYS 24 1HE LYS 24 5.849 16.639 3.538 160 HE3 LYS 24 2HE LYS 24 4.820 15.311 4.073 161 HZ1 LYS 24 1HZ LYS 24 6.862 14.585 2.155 162 HZ2 LYS 24 2HZ LYS 24 6.375 13.797 3.570 163 HZ3 LYS 24 3HZ LYS 24 7.452 15.099 3.656 164 H ARG 25 H ARG 25 2.001 11.364 1.620 165 HA ARG 25 HA ARG 25 -0.622 12.263 2.462 166 HB2 ARG 25 1HB ARG 25 0.273 9.804 2.048 167 HB3 ARG 25 2HB ARG 25 0.755 9.942 3.733 168 HG2 ARG 25 1HG ARG 25 -2.044 10.438 2.752 169 HG3 ARG 25 2HG ARG 25 -1.471 8.883 3.357 170 HD2 ARG 25 1HD ARG 25 -0.974 9.860 5.510 171 HD3 ARG 25 2HD ARG 25 -1.403 11.463 4.915 172 HE ARG 25 HE ARG 25 -3.208 9.377 5.752 173 HH11 ARG 25 2HH1 ARG 25 -2.835 12.301 3.900 174 HH12 ARG 25 1HH1 ARG 25 -4.519 12.705 3.954 175 HH21 ARG 25 2HH2 ARG 25 -5.427 9.897 5.831 176 HH22 ARG 25 1HH2 ARG 25 -5.993 11.337 5.054 177 H VAL 26 H VAL 26 -0.949 13.561 4.133 178 HA VAL 26 HA VAL 26 1.069 13.626 6.283 179 HB VAL 26 HB VAL 26 -0.601 15.934 5.275 180 HG11 VAL 26 1HG1 VAL 26 0.960 15.508 7.721 181 HG12 VAL 26 2HG1 VAL 26 1.319 17.011 6.869 182 HG13 VAL 26 3HG1 VAL 26 -0.331 16.659 7.384 183 HG21 VAL 26 1HG2 VAL 26 2.312 15.248 4.965 184 HG22 VAL 26 2HG2 VAL 26 1.119 15.535 3.697 185 HG23 VAL 26 3HG2 VAL 26 1.676 16.872 4.703 186 HA PRO 27 HA PRO 27 -2.770 12.253 8.329 187 HB2 PRO 27 1HB PRO 27 -1.477 10.965 10.339 188 HB3 PRO 27 2HB PRO 27 -1.760 10.234 8.754 189 HG2 PRO 27 1HG PRO 27 0.711 11.545 9.821 190 HG3 PRO 27 2HG PRO 27 0.555 10.052 8.876 191 HD2 PRO 27 1HD PRO 27 1.286 12.410 7.764 192 HD3 PRO 27 2HD PRO 27 0.350 11.187 6.881 193 H CYS 28 H CYS 28 -3.718 12.848 10.324 194 HA CYS 28 HA CYS 28 -2.898 15.375 11.319 195 HB2 CYS 28 1HB CYS 28 -5.270 14.425 11.216 196 HB3 CYS 28 2HB CYS 28 -4.858 13.526 12.672 197 HG CYS 28 HG CYS 28 -4.656 15.635 14.336 198 H ALA 29 H ALA 29 -2.603 15.815 13.682 199 HA ALA 29 HA ALA 29 -0.317 14.533 14.648 200 HB1 ALA 29 1HB ALA 29 -2.284 16.094 16.312 201 HB2 ALA 29 2HB ALA 29 -0.564 15.855 16.622 202 HB3 ALA 29 3HB ALA 29 -1.086 16.832 15.249 203 H TYR 30 H TYR 30 -3.717 13.926 15.242 204 HA TYR 30 HA TYR 30 -2.982 11.734 17.067 205 HB2 TYR 30 1HB TYR 30 -5.539 11.891 17.601 206 HB3 TYR 30 2HB TYR 30 -4.424 13.054 18.310 207 HD1 TYR 30 1HD TYR 30 -6.899 12.566 15.597 208 HD2 TYR 30 2HD TYR 30 -4.627 15.366 17.856 209 HE1 TYR 30 1HE TYR 30 -8.217 14.404 14.632 210 HE2 TYR 30 2HE TYR 30 -5.940 17.213 16.898 211 HH TYR 30 HH TYR 30 -8.354 17.416 15.871 212 H ASP 31 H ASP 31 -2.716 11.383 14.305 213 HA ASP 31 HA ASP 31 -4.967 9.583 13.687 214 HB2 ASP 31 1HB ASP 31 -4.370 11.630 12.158 215 HB3 ASP 31 2HB ASP 31 -3.083 10.575 11.580 216 H LYS 32 H LYS 32 -4.225 7.703 14.579 217 HA LYS 32 HA LYS 32 -1.534 6.780 13.940 218 HB2 LYS 32 1HB LYS 32 -3.678 5.865 15.831 219 HB3 LYS 32 2HB LYS 32 -2.354 4.788 15.405 220 HG2 LYS 32 1HG LYS 32 -1.807 7.552 16.410 221 HG3 LYS 32 2HG LYS 32 -2.160 6.232 17.528 222 HD2 LYS 32 1HD LYS 32 -0.038 6.011 15.409 223 HD3 LYS 32 2HD LYS 32 0.294 6.693 17.003 224 HE2 LYS 32 1HE LYS 32 -0.919 3.970 16.579 225 HE3 LYS 32 2HE LYS 32 0.815 4.245 16.738 226 HZ1 LYS 32 1HZ LYS 32 -1.179 5.057 18.779 227 HZ2 LYS 32 2HZ LYS 32 0.505 5.082 18.931 228 HZ3 LYS 32 3HZ LYS 32 -0.313 3.605 18.834 229 H THR 33 H THR 33 -4.739 6.420 12.834 230 HA THR 33 HA THR 33 -4.251 3.830 11.593 231 HB THR 33 HB THR 33 -6.583 4.048 10.750 232 HG1 THR 33 1HG THR 33 -6.590 6.437 12.311 233 HG21 THR 33 1HG2 THR 33 -5.751 3.366 13.237 234 HG22 THR 33 2HG2 THR 33 -7.421 3.237 12.686 235 HG23 THR 33 3HG2 THR 33 -6.905 4.642 13.617 236 H ALA 34 H ALA 34 -3.535 6.967 10.880 237 HA ALA 34 HA ALA 34 -3.908 6.629 7.985 238 HB1 ALA 34 1HB ALA 34 -3.511 9.027 7.809 239 HB2 ALA 34 2HB ALA 34 -4.818 8.686 8.943 240 HB3 ALA 34 3HB ALA 34 -3.217 9.116 9.546 241 H LEU 35 H LEU 35 -2.224 5.696 7.024 242 HA LEU 35 HA LEU 35 0.431 5.820 8.105 243 HB2 LEU 35 1HB LEU 35 -0.788 3.968 6.673 244 HB3 LEU 35 2HB LEU 35 -0.103 4.883 5.331 245 HG LEU 35 HG LEU 35 1.388 3.472 7.538 246 HD11 LEU 35 1HD1 LEU 35 0.480 2.147 5.604 247 HD12 LEU 35 2HD1 LEU 35 2.228 2.069 5.822 248 HD13 LEU 35 3HD1 LEU 35 1.542 3.090 4.557 249 HD21 LEU 35 1HD2 LEU 35 3.377 4.242 6.034 250 HD22 LEU 35 2HD2 LEU 35 2.722 5.328 7.261 251 HD23 LEU 35 3HD2 LEU 35 2.270 5.534 5.568 252 H ALA 36 H ALA 36 2.089 7.101 7.525 253 HA ALA 36 HA ALA 36 1.528 9.234 5.604 254 HB1 ALA 36 1HB ALA 36 2.862 9.134 8.098 255 HB2 ALA 36 2HB ALA 36 4.050 9.583 6.873 256 HB3 ALA 36 3HB ALA 36 2.577 10.533 7.062 257 H LEU 37 H LEU 37 2.606 9.486 3.725 258 HA LEU 37 HA LEU 37 5.012 7.911 3.217 259 HB2 LEU 37 1HB LEU 37 2.637 7.876 1.364 260 HB3 LEU 37 2HB LEU 37 4.172 7.045 1.123 261 HG LEU 37 HG LEU 37 2.484 6.393 3.505 262 HD11 LEU 37 1HD1 LEU 37 1.449 4.585 2.120 263 HD12 LEU 37 2HD1 LEU 37 2.063 5.413 0.689 264 HD13 LEU 37 3HD1 LEU 37 0.896 6.216 1.739 265 HD21 LEU 37 1HD2 LEU 37 4.901 5.450 2.341 266 HD22 LEU 37 2HD2 LEU 37 3.696 4.165 2.240 267 HD23 LEU 37 3HD2 LEU 37 4.086 4.889 3.801 268 H GLU 38 H GLU 38 6.460 8.918 1.921 269 HA GLU 38 HA GLU 38 5.933 11.665 1.223 270 HB2 GLU 38 1HB GLU 38 8.152 10.491 2.093 271 HB3 GLU 38 2HB GLU 38 8.432 10.280 0.370 272 HG2 GLU 38 1HG GLU 38 7.861 12.837 0.285 273 HG3 GLU 38 2HG GLU 38 8.326 12.774 1.984 274 H VAL 39 H VAL 39 6.424 12.540 -0.922 275 HA VAL 39 HA VAL 39 4.945 11.288 -2.944 276 HB VAL 39 HB VAL 39 7.065 13.406 -3.325 277 HG11 VAL 39 1HG1 VAL 39 6.354 12.413 -5.412 278 HG12 VAL 39 2HG1 VAL 39 4.659 12.641 -4.976 279 HG13 VAL 39 3HG1 VAL 39 5.690 14.041 -5.274 280 HG21 VAL 39 1HG2 VAL 39 5.596 14.235 -1.663 281 HG22 VAL 39 2HG2 VAL 39 5.085 14.972 -3.182 282 HG23 VAL 39 3HG2 VAL 39 4.176 13.620 -2.508 283 H GLY 40 H GLY 40 5.467 9.452 -3.937 284 HA2 GLY 40 1HA GLY 40 6.745 8.311 -5.587 285 HA3 GLY 40 2HA GLY 40 8.166 9.199 -5.059 286 H ASP 41 H ASP 41 6.071 7.767 -2.700 287 HA ASP 41 HA ASP 41 8.199 5.853 -2.046 288 HB2 ASP 41 1HB ASP 41 6.109 7.266 -0.449 289 HB3 ASP 41 2HB ASP 41 6.672 5.695 0.115 290 H ILE 42 H ILE 42 7.917 3.757 -2.407 291 HA ILE 42 HA ILE 42 5.483 2.772 -3.535 292 HB ILE 42 HB ILE 42 7.915 1.238 -2.608 293 HG12 ILE 42 1HG1 ILE 42 8.476 2.870 -4.335 294 HG13 ILE 42 2HG1 ILE 42 8.538 1.240 -4.997 295 HG21 ILE 42 1HG2 ILE 42 6.453 -0.472 -2.842 296 HG22 ILE 42 2HG2 ILE 42 5.380 0.447 -3.897 297 HG23 ILE 42 3HG2 ILE 42 6.851 -0.275 -4.549 298 HD11 ILE 42 1HD1 ILE 42 6.378 1.562 -6.045 299 HD12 ILE 42 2HD1 ILE 42 6.260 3.174 -5.339 300 HD13 ILE 42 3HD1 ILE 42 7.506 2.826 -6.537 301 H VAL 43 H VAL 43 3.844 1.706 -2.598 302 HA VAL 43 HA VAL 43 4.080 1.101 0.278 303 HB VAL 43 HB VAL 43 1.492 1.594 -1.184 304 HG11 VAL 43 1HG1 VAL 43 2.312 1.104 1.614 305 HG12 VAL 43 2HG1 VAL 43 1.046 2.307 1.358 306 HG13 VAL 43 3HG1 VAL 43 0.830 0.658 0.769 307 HG21 VAL 43 1HG2 VAL 43 1.524 3.870 -0.466 308 HG22 VAL 43 2HG2 VAL 43 3.020 3.625 0.436 309 HG23 VAL 43 3HG2 VAL 43 3.033 3.564 -1.327 310 H LYS 44 H LYS 44 4.183 -0.991 0.716 311 HA LYS 44 HA LYS 44 3.101 -2.923 -1.197 312 HB2 LYS 44 1HB LYS 44 5.475 -3.066 -0.275 313 HB3 LYS 44 2HB LYS 44 4.745 -3.535 1.255 314 HG2 LYS 44 1HG LYS 44 3.534 -5.311 -0.292 315 HG3 LYS 44 2HG LYS 44 4.967 -5.042 -1.287 316 HD2 LYS 44 1HD LYS 44 5.724 -6.737 0.051 317 HD3 LYS 44 2HD LYS 44 6.206 -5.344 1.022 318 HE2 LYS 44 1HE LYS 44 3.935 -5.596 2.173 319 HE3 LYS 44 2HE LYS 44 3.863 -7.183 1.410 320 HZ1 LYS 44 1HZ LYS 44 4.951 -6.738 3.798 321 HZ2 LYS 44 2HZ LYS 44 6.324 -6.581 2.823 322 HZ3 LYS 44 3HZ LYS 44 5.418 -8.010 2.784 323 H VAL 45 H VAL 45 1.020 -3.388 -0.870 324 HA VAL 45 HA VAL 45 0.071 -3.723 1.897 325 HB VAL 45 HB VAL 45 -1.236 -2.059 0.824 326 HG11 VAL 45 1HG1 VAL 45 -0.876 -2.169 -1.439 327 HG12 VAL 45 2HG1 VAL 45 -1.135 -3.913 -1.507 328 HG13 VAL 45 3HG1 VAL 45 -2.511 -2.821 -1.340 329 HG21 VAL 45 1HG2 VAL 45 -3.080 -2.928 1.702 330 HG22 VAL 45 2HG2 VAL 45 -3.300 -3.940 0.274 331 HG23 VAL 45 3HG2 VAL 45 -2.351 -4.533 1.637 332 H THR 46 H THR 46 -0.684 -5.643 2.575 333 HA THR 46 HA THR 46 -0.739 -7.839 0.615 334 HB THR 46 HB THR 46 -0.161 -9.361 2.332 335 HG1 THR 46 1HG THR 46 -0.746 -7.223 4.118 336 HG21 THR 46 1HG2 THR 46 1.752 -8.101 1.575 337 HG22 THR 46 2HG2 THR 46 1.909 -8.385 3.308 338 HG23 THR 46 3HG2 THR 46 1.398 -6.805 2.716 339 H ARG 47 H ARG 47 -2.613 -6.051 2.883 340 HA ARG 47 HA ARG 47 -4.888 -7.853 2.391 341 HB2 ARG 47 1HB ARG 47 -3.893 -6.705 4.956 342 HB3 ARG 47 2HB ARG 47 -5.632 -6.857 4.739 343 HG2 ARG 47 1HG ARG 47 -5.004 -9.305 4.027 344 HG3 ARG 47 2HG ARG 47 -3.556 -8.970 4.978 345 HD2 ARG 47 1HD ARG 47 -5.083 -8.253 6.846 346 HD3 ARG 47 2HD ARG 47 -6.423 -8.886 5.892 347 HE ARG 47 HE ARG 47 -4.445 -10.406 7.340 348 HH11 ARG 47 2HH1 ARG 47 -6.835 -10.439 4.809 349 HH12 ARG 47 1HH1 ARG 47 -7.069 -12.154 4.874 350 HH21 ARG 47 2HH2 ARG 47 -4.744 -12.665 7.434 351 HH22 ARG 47 1HH2 ARG 47 -5.879 -13.420 6.368 352 H MET 48 H MET 48 -6.557 -6.886 1.446 353 HA MET 48 HA MET 48 -6.756 -3.952 1.629 354 HB2 MET 48 1HB MET 48 -7.342 -5.823 -0.657 355 HB3 MET 48 2HB MET 48 -7.994 -4.190 -0.604 356 HG2 MET 48 1HG MET 48 -5.790 -3.248 -0.606 357 HG3 MET 48 2HG MET 48 -5.063 -4.847 -0.464 358 HE1 MET 48 1HE MET 48 -4.409 -2.532 -2.587 359 HE2 MET 48 2HE MET 48 -3.499 -4.041 -2.660 360 HE3 MET 48 3HE MET 48 -4.259 -3.398 -4.116 361 H ASN 49 H ASN 49 -8.251 -3.650 3.194 362 HA ASN 49 HA ASN 49 -10.476 -5.321 3.658 363 HB2 ASN 49 1HB ASN 49 -10.247 -2.405 4.421 364 HB3 ASN 49 2HB ASN 49 -11.217 -3.645 5.211 365 HD21 ASN 49 1HD2 ASN 49 -8.715 -1.826 5.777 366 HD22 ASN 49 2HD2 ASN 49 -7.692 -2.894 6.670 367 H ILE 50 H ILE 50 -12.484 -5.353 2.836 368 HA ILE 50 HA ILE 50 -13.124 -4.290 0.384 369 HB ILE 50 HB ILE 50 -15.056 -4.952 2.610 370 HG12 ILE 50 1HG1 ILE 50 -14.338 -6.718 0.284 371 HG13 ILE 50 2HG1 ILE 50 -13.364 -6.719 1.750 372 HG21 ILE 50 1HG2 ILE 50 -16.539 -4.015 1.209 373 HG22 ILE 50 2HG2 ILE 50 -15.428 -4.065 -0.159 374 HG23 ILE 50 3HG2 ILE 50 -16.348 -5.503 0.282 375 HD11 ILE 50 1HD1 ILE 50 -16.322 -7.242 1.719 376 HD12 ILE 50 2HD1 ILE 50 -15.094 -8.506 1.632 377 HD13 ILE 50 3HD1 ILE 50 -15.198 -7.474 3.058 378 H ASN 51 H ASN 51 -13.881 -2.948 3.582 379 HA ASN 51 HA ASN 51 -15.496 -0.867 3.080 380 HB2 ASN 51 1HB ASN 51 -14.741 0.107 5.025 381 HB3 ASN 51 2HB ASN 51 -14.081 -1.514 5.219 382 HD21 ASN 51 1HD2 ASN 51 -11.943 -1.766 5.403 383 HD22 ASN 51 2HD2 ASN 51 -10.783 -0.495 5.256 384 H GLY 52 H GLY 52 -12.004 -0.876 2.426 385 HA2 GLY 52 1HA GLY 52 -11.753 0.335 0.108 386 HA3 GLY 52 2HA GLY 52 -12.251 1.713 1.079 387 H GLN 53 H GLN 53 -10.865 1.041 3.457 388 HA GLN 53 HA GLN 53 -8.295 2.086 2.811 389 HB2 GLN 53 1HB GLN 53 -9.565 1.118 5.361 390 HB3 GLN 53 2HB GLN 53 -7.881 1.621 5.307 391 HG2 GLN 53 1HG GLN 53 -10.242 3.331 4.557 392 HG3 GLN 53 2HG GLN 53 -9.356 3.408 6.080 393 HE21 GLN 53 1HE2 GLN 53 -7.545 4.591 6.195 394 HE22 GLN 53 2HE2 GLN 53 -6.830 5.430 4.864 395 H TRP 54 H TRP 54 -6.427 1.068 2.446 396 HA TRP 54 HA TRP 54 -6.405 -1.859 2.652 397 HB2 TRP 54 1HB TRP 54 -4.444 -0.101 1.170 398 HB3 TRP 54 2HB TRP 54 -4.640 -1.845 1.022 399 HD1 TRP 54 HD TRP 54 -8.034 -1.113 1.025 400 HE1 TRP 54 1HE TRP 54 -8.999 -0.596 -1.305 401 HE3 TRP 54 3HE TRP 54 -3.677 -0.106 -1.454 402 HZ2 TRP 54 2HZ TRP 54 -8.041 0.141 -3.856 403 HZ3 TRP 54 3HZ TRP 54 -3.789 0.496 -3.837 404 HH2 TRP 54 HH TRP 54 -5.926 0.616 -5.011 405 H GLU 55 H GLU 55 -4.441 -2.922 3.385 406 HA GLU 55 HA GLU 55 -3.093 -1.358 5.483 407 HB2 GLU 55 1HB GLU 55 -4.547 -3.448 6.021 408 HB3 GLU 55 2HB GLU 55 -3.169 -4.358 5.418 409 HG2 GLU 55 1HG GLU 55 -1.737 -3.382 7.097 410 HG3 GLU 55 2HG GLU 55 -3.054 -2.354 7.660 411 H GLY 56 H GLY 56 -1.091 -0.777 4.980 412 HA2 GLY 56 1HA GLY 56 0.629 -2.735 3.607 413 HA3 GLY 56 2HA GLY 56 0.536 -1.085 3.010 414 H GLU 57 H GLU 57 2.904 -2.403 3.886 415 HA GLU 57 HA GLU 57 3.528 -0.874 6.327 416 HB2 GLU 57 1HB GLU 57 3.718 -3.381 6.473 417 HB3 GLU 57 2HB GLU 57 5.011 -3.289 5.285 418 HG2 GLU 57 1HG GLU 57 5.164 -1.691 7.802 419 HG3 GLU 57 2HG GLU 57 5.591 -3.401 7.799 420 H VAL 58 H VAL 58 4.829 0.808 6.073 421 HA VAL 58 HA VAL 58 6.900 0.735 4.003 422 HB VAL 58 HB VAL 58 4.964 3.027 4.358 423 HG11 VAL 58 1HG1 VAL 58 7.028 4.028 3.890 424 HG12 VAL 58 2HG1 VAL 58 7.496 2.748 2.770 425 HG13 VAL 58 3HG1 VAL 58 6.238 3.900 2.318 426 HG21 VAL 58 1HG2 VAL 58 5.243 1.941 1.692 427 HG22 VAL 58 2HG2 VAL 58 4.705 0.714 2.840 428 HG23 VAL 58 3HG2 VAL 58 3.788 2.209 2.652 429 H ASN 59 H ASN 59 8.767 1.796 4.527 430 HA ASN 59 HA ASN 59 10.375 2.474 6.016 431 HB2 ASN 59 1HB ASN 59 8.270 4.619 6.365 432 HB3 ASN 59 2HB ASN 59 9.939 4.763 6.908 433 HD21 ASN 59 1HD2 ASN 59 8.413 6.327 4.951 434 HD22 ASN 59 2HD2 ASN 59 9.321 6.250 3.483 435 H GLY 60 H GLY 60 9.132 0.432 7.200 436 HA2 GLY 60 1HA GLY 60 8.691 -0.539 9.232 437 HA3 GLY 60 2HA GLY 60 9.606 0.794 9.920 438 H ARG 61 H ARG 61 6.622 1.146 8.097 439 HA ARG 61 HA ARG 61 5.186 1.758 10.584 440 HB2 ARG 61 1HB ARG 61 5.997 3.875 9.585 441 HB3 ARG 61 2HB ARG 61 5.134 3.485 8.103 442 HG2 ARG 61 1HG ARG 61 3.620 4.867 9.087 443 HG3 ARG 61 2HG ARG 61 3.080 3.320 9.743 444 HD2 ARG 61 1HD ARG 61 3.152 4.675 11.622 445 HD3 ARG 61 2HD ARG 61 4.706 3.845 11.682 446 HE ARG 61 HE ARG 61 5.059 6.228 10.276 447 HH11 ARG 61 2HH1 ARG 61 4.268 5.164 13.495 448 HH12 ARG 61 1HH1 ARG 61 4.957 6.555 14.264 449 HH21 ARG 61 2HH2 ARG 61 5.969 8.064 11.277 450 HH22 ARG 61 1HH2 ARG 61 5.923 8.205 13.001 451 H LYS 62 H LYS 62 3.001 1.310 10.570 452 HA LYS 62 HA LYS 62 1.891 0.156 8.104 453 HB2 LYS 62 1HB LYS 62 1.757 -1.034 10.879 454 HB3 LYS 62 2HB LYS 62 0.777 -1.585 9.526 455 HG2 LYS 62 1HG LYS 62 2.824 -2.157 8.296 456 HG3 LYS 62 2HG LYS 62 3.784 -1.649 9.687 457 HD2 LYS 62 1HD LYS 62 3.607 -3.992 9.869 458 HD3 LYS 62 2HD LYS 62 2.450 -3.343 11.035 459 HE2 LYS 62 1HE LYS 62 1.340 -5.101 9.909 460 HE3 LYS 62 2HE LYS 62 0.690 -3.604 9.244 461 HZ1 LYS 62 1HZ LYS 62 2.838 -5.213 7.974 462 HZ2 LYS 62 2HZ LYS 62 2.079 -3.850 7.321 463 HZ3 LYS 62 3HZ LYS 62 1.204 -5.281 7.539 464 H GLY 63 H GLY 63 0.233 1.408 7.549 465 HA2 GLY 63 1HA GLY 63 -1.862 1.931 9.497 466 HA3 GLY 63 2HA GLY 63 -1.064 3.354 8.842 467 H LEU 64 H LEU 64 -3.709 3.166 8.459 468 HA LEU 64 HA LEU 64 -4.266 1.920 5.903 469 HB2 LEU 64 1HB LEU 64 -5.993 3.673 7.645 470 HB3 LEU 64 2HB LEU 64 -6.533 2.784 6.222 471 HG LEU 64 HG LEU 64 -5.544 1.568 8.802 472 HD11 LEU 64 1HD1 LEU 64 -8.043 0.703 8.588 473 HD12 LEU 64 2HD1 LEU 64 -8.227 2.233 7.730 474 HD13 LEU 64 3HD1 LEU 64 -7.639 2.220 9.392 475 HD21 LEU 64 1HD2 LEU 64 -4.949 0.068 7.095 476 HD22 LEU 64 2HD2 LEU 64 -6.434 0.371 6.193 477 HD23 LEU 64 3HD2 LEU 64 -6.491 -0.527 7.711 478 H PHE 65 H PHE 65 -4.122 2.885 3.988 479 HA PHE 65 HA PHE 65 -3.995 5.828 3.910 480 HB2 PHE 65 1HB PHE 65 -2.407 5.631 2.031 481 HB3 PHE 65 2HB PHE 65 -1.776 4.899 3.503 482 HD1 PHE 65 2HD PHE 65 -3.068 4.262 0.139 483 HD2 PHE 65 1HD PHE 65 -1.442 2.523 3.668 484 HE1 PHE 65 2HE PHE 65 -2.672 2.163 -1.081 485 HE2 PHE 65 1HE PHE 65 -1.042 0.421 2.452 486 HZ PHE 65 HZ PHE 65 -1.659 0.239 0.075 487 HA PRO 66 HA PRO 66 -7.346 5.619 1.063 488 HB2 PRO 66 1HB PRO 66 -7.016 8.018 -0.163 489 HB3 PRO 66 2HB PRO 66 -7.642 7.858 1.482 490 HG2 PRO 66 1HG PRO 66 -4.872 8.530 0.567 491 HG3 PRO 66 2HG PRO 66 -5.826 9.256 1.874 492 HD2 PRO 66 1HD PRO 66 -3.889 7.420 2.330 493 HD3 PRO 66 2HD PRO 66 -5.339 7.550 3.346 494 H PHE 67 H PHE 67 -7.646 4.769 -0.911 495 HA PHE 67 HA PHE 67 -5.425 4.116 -2.554 496 HB2 PHE 67 1HB PHE 67 -7.143 3.208 -4.108 497 HB3 PHE 67 2HB PHE 67 -7.336 2.633 -2.456 498 HD1 PHE 67 2HD PHE 67 -8.682 4.913 -5.014 499 HD2 PHE 67 1HD PHE 67 -9.284 3.127 -1.197 500 HE1 PHE 67 2HE PHE 67 -11.018 5.686 -5.024 501 HE2 PHE 67 1HE PHE 67 -11.621 3.897 -1.202 502 HZ PHE 67 HZ PHE 67 -12.490 5.179 -3.116 503 H THR 68 H THR 68 -7.272 6.912 -2.280 504 HA THR 68 HA THR 68 -7.131 7.736 -5.038 505 HB THR 68 HB THR 68 -7.926 9.939 -4.171 506 HG1 THR 68 1HG THR 68 -8.403 10.114 -1.979 507 HG21 THR 68 1HG2 THR 68 -9.300 7.413 -4.124 508 HG22 THR 68 2HG2 THR 68 -9.909 9.005 -4.576 509 HG23 THR 68 3HG2 THR 68 -9.962 8.486 -2.892 510 H HIS 69 H HIS 69 -5.265 8.212 -2.113 511 HA HIS 69 HA HIS 69 -3.645 10.324 -3.175 512 HB2 HIS 69 1HB HIS 69 -3.366 8.549 -0.749 513 HB3 HIS 69 2HB HIS 69 -2.200 9.804 -1.156 514 HD1 HIS 69 1HD HIS 69 -5.987 10.039 -1.279 515 HD2 HIS 69 2HD HIS 69 -2.743 11.695 0.720 516 HE1 HIS 69 1HE HIS 69 -6.940 11.890 0.132 517 HE2 HIS 69 2HE HIS 69 -4.948 12.933 1.266 518 H VAL 70 H VAL 70 -3.687 6.936 -3.501 519 HA VAL 70 HA VAL 70 -0.962 6.985 -4.626 520 HB VAL 70 HB VAL 70 -0.806 4.572 -4.110 521 HG11 VAL 70 1HG1 VAL 70 0.235 5.182 -2.245 522 HG12 VAL 70 2HG1 VAL 70 -0.577 6.745 -2.345 523 HG13 VAL 70 3HG1 VAL 70 -1.303 5.430 -1.420 524 HG21 VAL 70 1HG2 VAL 70 -3.173 4.031 -4.061 525 HG22 VAL 70 2HG2 VAL 70 -2.412 3.574 -2.537 526 HG23 VAL 70 3HG2 VAL 70 -3.394 5.037 -2.629 527 H LYS 71 H LYS 71 -0.588 5.732 -6.504 528 HA LYS 71 HA LYS 71 -3.029 4.973 -7.970 529 HB2 LYS 71 1HB LYS 71 -1.867 7.110 -8.739 530 HB3 LYS 71 2HB LYS 71 -0.542 6.080 -9.267 531 HG2 LYS 71 1HG LYS 71 -1.814 5.082 -10.934 532 HG3 LYS 71 2HG LYS 71 -3.341 5.568 -10.192 533 HD2 LYS 71 1HD LYS 71 -1.421 7.655 -11.136 534 HD3 LYS 71 2HD LYS 71 -2.450 6.822 -12.303 535 HE2 LYS 71 1HE LYS 71 -4.431 7.505 -11.063 536 HE3 LYS 71 2HE LYS 71 -3.420 8.293 -9.853 537 HZ1 LYS 71 1HZ LYS 71 -2.664 9.850 -11.491 538 HZ2 LYS 71 2HZ LYS 71 -4.356 9.842 -11.501 539 HZ3 LYS 71 3HZ LYS 71 -3.499 9.047 -12.724 540 H ILE 72 H ILE 72 -3.078 2.944 -8.683 541 HA ILE 72 HA ILE 72 -0.971 1.130 -8.144 542 HB ILE 72 HB ILE 72 -3.414 0.770 -9.883 543 HG12 ILE 72 1HG1 ILE 72 -3.775 1.315 -7.441 544 HG13 ILE 72 2HG1 ILE 72 -4.458 -0.216 -7.975 545 HG21 ILE 72 1HG2 ILE 72 -1.180 -1.019 -9.179 546 HG22 ILE 72 2HG2 ILE 72 -2.796 -1.710 -9.046 547 HG23 ILE 72 3HG2 ILE 72 -2.251 -1.034 -10.580 548 HD11 ILE 72 1HD1 ILE 72 -1.762 -0.539 -6.993 549 HD12 ILE 72 2HD1 ILE 72 -2.822 0.197 -5.790 550 HD13 ILE 72 3HD1 ILE 72 -3.248 -1.355 -6.511 551 H PHE 73 H PHE 73 0.801 0.735 -9.280 552 HA PHE 73 HA PHE 73 0.748 1.166 -12.189 553 HB2 PHE 73 1HB PHE 73 2.785 2.317 -12.191 554 HB3 PHE 73 2HB PHE 73 1.947 2.987 -10.795 555 HD1 PHE 73 1HD PHE 73 2.636 2.385 -8.526 556 HD2 PHE 73 2HD PHE 73 4.761 0.999 -11.943 557 HE1 PHE 73 1HE PHE 73 4.544 1.787 -7.092 558 HE2 PHE 73 2HE PHE 73 6.672 0.397 -10.515 559 HZ PHE 73 HZ PHE 73 6.565 0.790 -8.087 560 H ASP 74 H ASP 74 2.487 0.005 -13.340 561 HA ASP 74 HA ASP 74 2.716 -2.685 -12.307 562 HB2 ASP 74 1HB ASP 74 2.177 -2.573 -14.609 563 HB3 ASP 74 2HB ASP 74 3.443 -1.390 -14.929 564 HA PRO 75 HA PRO 75 6.731 -2.039 -10.550 565 HB2 PRO 75 1HB PRO 75 7.293 -4.648 -10.055 566 HB3 PRO 75 2HB PRO 75 6.171 -3.703 -9.069 567 HG2 PRO 75 1HG PRO 75 5.584 -5.645 -11.270 568 HG3 PRO 75 2HG PRO 75 4.778 -5.454 -9.702 569 HD2 PRO 75 1HD PRO 75 3.753 -4.452 -12.000 570 HD3 PRO 75 2HD PRO 75 3.519 -3.664 -10.426 571 H GLN 76 H GLN 76 6.025 -3.742 -13.430 572 HA GLN 76 HA GLN 76 7.260 -4.366 -15.236 573 HB2 GLN 76 1HB GLN 76 8.917 -2.170 -14.042 574 HB3 GLN 76 2HB GLN 76 9.504 -3.056 -15.443 575 HG2 GLN 76 1HG GLN 76 7.252 -2.477 -16.513 576 HG3 GLN 76 2HG GLN 76 7.094 -1.296 -15.213 577 HE21 GLN 76 1HE2 GLN 76 8.075 0.612 -15.417 578 HE22 GLN 76 2HE2 GLN 76 9.169 1.038 -16.684 579 H ASN 77 H ASN 77 7.438 -6.088 -13.069 580 HA ASN 77 HA ASN 77 10.119 -6.759 -12.411 581 HB2 ASN 77 1HB ASN 77 7.502 -8.239 -12.182 582 HB3 ASN 77 2HB ASN 77 9.031 -8.970 -11.701 583 HD21 ASN 77 1HD2 ASN 77 10.388 -7.339 -10.316 584 HD22 ASN 77 2HD2 ASN 77 9.521 -6.639 -8.996 585 HA PRO 78 HA PRO 78 11.215 -8.747 -16.223 586 HB2 PRO 78 1HB PRO 78 13.579 -9.774 -15.371 587 HB3 PRO 78 2HB PRO 78 13.362 -8.066 -15.771 588 HG2 PRO 78 1HG PRO 78 13.361 -9.398 -13.090 589 HG3 PRO 78 2HG PRO 78 14.125 -7.875 -13.583 590 HD2 PRO 78 1HD PRO 78 11.775 -7.958 -12.240 591 HD3 PRO 78 2HD PRO 78 12.156 -6.688 -13.421 592 H ASP 79 H ASP 79 10.594 -10.266 -13.222 593 HA ASP 79 HA ASP 79 11.161 -12.955 -13.998 594 HB2 ASP 79 1HB ASP 79 9.550 -13.403 -11.981 595 HB3 ASP 79 2HB ASP 79 11.146 -12.715 -11.694 596 H GLU 80 H GLU 80 8.092 -11.196 -13.523 597 HA GLU 80 HA GLU 80 6.548 -13.277 -14.740 598 HB2 GLU 80 1HB GLU 80 5.825 -11.500 -12.980 599 HB3 GLU 80 2HB GLU 80 5.566 -10.465 -14.376 600 HG2 GLU 80 1HG GLU 80 3.482 -11.428 -13.883 601 HG3 GLU 80 2HG GLU 80 4.087 -12.280 -15.303 602 H ASN 81 H ASN 81 6.835 -9.853 -15.697 603 HA ASN 81 HA ASN 81 6.310 -10.606 -18.461 604 HB2 ASN 81 1HB ASN 81 5.257 -8.600 -17.193 605 HB3 ASN 81 2HB ASN 81 6.791 -7.795 -17.507 606 HD21 ASN 81 1HD2 ASN 81 4.892 -6.485 -18.563 607 HD22 ASN 81 2HD2 ASN 81 4.689 -6.775 -20.254 608 H GLU 82 H GLU 82 7.681 -10.110 -20.192 609 HA GLU 82 HA GLU 82 10.393 -9.217 -19.543 610 HB2 GLU 82 1HB GLU 82 10.266 -11.745 -19.528 611 HB3 GLU 82 2HB GLU 82 9.882 -11.659 -21.241 612 HG2 GLU 82 1HG GLU 82 11.992 -10.977 -21.824 613 HG3 GLU 82 2HG GLU 82 12.326 -10.289 -20.236 614 H SER 83 H SER 83 11.641 -8.594 -21.448 615 HA SER 83 HA SER 83 9.969 -7.202 -23.344 616 HB2 SER 83 1HB SER 83 12.043 -6.180 -24.122 617 HB3 SER 83 2HB SER 83 11.981 -6.137 -22.360 618 HG SER 83 HG SER 83 13.221 -8.311 -23.618 619 H GLY 84 H GLY 84 10.873 -7.182 -25.711 620 HA2 GLY 84 1HA GLY 84 11.087 -10.007 -26.547 621 HA3 GLY 84 2HA GLY 84 10.254 -8.765 -27.471 622 HA PRO 85 HA PRO 85 14.918 -9.216 -28.532 623 HB2 PRO 85 1HB PRO 85 14.789 -11.002 -30.573 624 HB3 PRO 85 2HB PRO 85 15.049 -11.482 -28.892 625 HG2 PRO 85 1HG PRO 85 12.524 -11.504 -30.500 626 HG3 PRO 85 2HG PRO 85 13.149 -12.730 -29.381 627 HD2 PRO 85 1HD PRO 85 11.216 -10.968 -28.681 628 HD3 PRO 85 2HD PRO 85 12.406 -11.590 -27.520 629 H SER 86 H SER 86 11.919 -8.784 -30.167 630 HA SER 86 HA SER 86 13.028 -7.785 -32.622 631 HB2 SER 86 1HB SER 86 10.247 -7.800 -31.453 632 HB3 SER 86 2HB SER 86 10.617 -6.999 -32.980 633 HG SER 86 HG SER 86 11.644 -9.229 -33.411 634 H SER 87 H SER 87 11.425 -6.314 -29.808 635 HA SER 87 HA SER 87 11.495 -4.211 -28.942 636 HB2 SER 87 1HB SER 87 14.019 -4.720 -29.239 637 HB3 SER 87 2HB SER 87 13.924 -3.625 -30.618 638 HG SER 87 HG SER 87 14.396 -2.847 -28.282 639 H GLY 88 H GLY 88 9.846 -4.612 -31.146 640 HA2 GLY 88 1HA GLY 88 10.145 -2.098 -32.665 641 HA3 GLY 88 2HA GLY 88 9.294 -3.519 -33.252 Start of MODEL 16 1 H1 GLY 1 H GLY 1 29.158 -19.619 1.959 2 HA2 GLY 1 1HA GLY 1 29.208 -21.164 4.474 3 HA3 GLY 1 2HA GLY 1 27.921 -20.013 4.143 4 H SER 2 H SER 2 26.453 -21.799 4.415 5 HA SER 2 HA SER 2 26.104 -23.280 1.913 6 HB2 SER 2 1HB SER 2 26.172 -24.505 4.675 7 HB3 SER 2 2HB SER 2 25.454 -25.315 3.283 8 HG SER 2 HG SER 2 28.127 -24.369 3.369 9 H SER 3 H SER 3 23.923 -24.111 1.624 10 HA SER 3 HA SER 3 21.902 -22.836 3.329 11 HB2 SER 3 1HB SER 3 22.300 -22.469 0.387 12 HB3 SER 3 2HB SER 3 20.656 -22.471 1.027 13 HG SER 3 HG SER 3 22.514 -20.527 1.128 14 H GLY 4 H GLY 4 19.764 -23.782 3.136 15 HA2 GLY 4 1HA GLY 4 19.949 -26.656 2.658 16 HA3 GLY 4 2HA GLY 4 18.656 -25.824 3.509 17 H SER 5 H SER 5 17.077 -24.656 2.248 18 HA SER 5 HA SER 5 15.455 -24.725 0.638 19 HB2 SER 5 1HB SER 5 18.028 -24.237 -0.797 20 HB3 SER 5 2HB SER 5 16.574 -24.508 -1.758 21 HG SER 5 HG SER 5 15.792 -22.642 -1.121 22 H SER 6 H SER 6 15.918 -27.244 1.569 23 HA SER 6 HA SER 6 16.173 -28.987 -0.765 24 HB2 SER 6 1HB SER 6 17.443 -29.598 1.251 25 HB3 SER 6 2HB SER 6 15.943 -29.681 2.174 26 HG SER 6 HG SER 6 17.072 -31.590 0.740 27 H GLY 7 H GLY 7 13.938 -28.484 1.969 28 HA2 GLY 7 1HA GLY 7 11.783 -29.541 0.243 29 HA3 GLY 7 2HA GLY 7 11.851 -29.833 1.975 30 HA PRO 8 HA PRO 8 10.825 -25.135 1.518 31 HB2 PRO 8 1HB PRO 8 10.394 -24.205 -0.996 32 HB3 PRO 8 2HB PRO 8 11.988 -24.207 -0.233 33 HG2 PRO 8 1HG PRO 8 10.828 -26.142 -2.201 34 HG3 PRO 8 2HG PRO 8 12.455 -25.439 -2.150 35 HD2 PRO 8 1HD PRO 8 11.921 -27.940 -1.262 36 HD3 PRO 8 2HD PRO 8 13.181 -26.920 -0.540 37 H LEU 9 H LEU 9 8.797 -23.927 1.005 38 HA LEU 9 HA LEU 9 6.622 -25.786 0.299 39 HB2 LEU 9 1HB LEU 9 5.244 -24.837 1.941 40 HB3 LEU 9 2HB LEU 9 6.805 -25.082 2.720 41 HG LEU 9 HG LEU 9 6.090 -22.412 1.568 42 HD11 LEU 9 1HD1 LEU 9 5.258 -23.499 4.251 43 HD12 LEU 9 2HD1 LEU 9 4.208 -22.913 2.961 44 HD13 LEU 9 3HD1 LEU 9 5.256 -21.787 3.824 45 HD21 LEU 9 1HD2 LEU 9 7.510 -21.843 3.693 46 HD22 LEU 9 2HD2 LEU 9 8.296 -22.378 2.208 47 HD23 LEU 9 3HD2 LEU 9 8.043 -23.516 3.532 48 HA PRO 10 HA PRO 10 5.439 -22.973 -2.869 49 HB2 PRO 10 1HB PRO 10 2.803 -23.593 -3.065 50 HB3 PRO 10 2HB PRO 10 4.086 -24.655 -3.657 51 HG2 PRO 10 1HG PRO 10 2.545 -24.794 -1.095 52 HG3 PRO 10 2HG PRO 10 3.001 -26.105 -2.198 53 HD2 PRO 10 1HD PRO 10 4.352 -25.591 0.092 54 HD3 PRO 10 2HD PRO 10 5.145 -26.231 -1.362 55 H SER 11 H SER 11 4.688 -20.922 -3.059 56 HA SER 11 HA SER 11 3.727 -19.616 -0.679 57 HB2 SER 11 1HB SER 11 4.125 -18.458 -3.448 58 HB3 SER 11 2HB SER 11 3.960 -17.554 -1.942 59 HG SER 11 HG SER 11 5.903 -18.688 -1.250 60 H THR 12 H THR 12 1.661 -19.580 -0.128 61 HA THR 12 HA THR 12 -0.463 -20.377 -1.771 62 HB THR 12 HB THR 12 -0.588 -18.667 0.721 63 HG1 THR 12 1HG THR 12 0.041 -20.481 1.612 64 HG21 THR 12 1HG2 THR 12 -2.800 -20.489 0.049 65 HG22 THR 12 2HG2 THR 12 -2.621 -19.101 -1.025 66 HG23 THR 12 3HG2 THR 12 -2.837 -18.854 0.708 67 H GLN 13 H GLN 13 0.826 -17.182 -1.024 68 HA GLN 13 HA GLN 13 -1.160 -15.971 -2.813 69 HB2 GLN 13 1HB GLN 13 -0.953 -14.995 -0.558 70 HB3 GLN 13 2HB GLN 13 0.742 -14.648 -0.871 71 HG2 GLN 13 1HG GLN 13 -0.700 -12.678 -1.124 72 HG3 GLN 13 2HG GLN 13 0.155 -13.093 -2.608 73 HE21 GLN 13 1HE2 GLN 13 -1.184 -12.328 -4.124 74 HE22 GLN 13 2HE2 GLN 13 -2.830 -12.813 -4.324 75 H ASN 14 H ASN 14 -0.603 -15.248 -4.766 76 HA ASN 14 HA ASN 14 1.847 -15.824 -5.950 77 HB2 ASN 14 1HB ASN 14 -0.297 -15.373 -7.160 78 HB3 ASN 14 2HB ASN 14 -0.078 -13.659 -6.819 79 HD21 ASN 14 1HD2 ASN 14 1.551 -12.521 -7.866 80 HD22 ASN 14 2HD2 ASN 14 2.335 -13.134 -9.279 81 H GLY 15 H GLY 15 0.630 -12.532 -5.280 82 HA2 GLY 15 1HA GLY 15 3.039 -11.690 -4.018 83 HA3 GLY 15 2HA GLY 15 3.007 -11.177 -5.699 84 HA PRO 16 HA PRO 16 0.299 -8.500 -2.733 85 HB2 PRO 16 1HB PRO 16 2.121 -6.745 -1.749 86 HB3 PRO 16 2HB PRO 16 1.687 -8.245 -0.920 87 HG2 PRO 16 1HG PRO 16 4.056 -7.655 -2.653 88 HG3 PRO 16 2HG PRO 16 3.985 -8.541 -1.118 89 HD2 PRO 16 1HD PRO 16 4.109 -9.790 -3.517 90 HD3 PRO 16 2HD PRO 16 3.247 -10.478 -2.126 91 H VAL 17 H VAL 17 -0.398 -6.405 -3.278 92 HA VAL 17 HA VAL 17 0.429 -5.529 -5.904 93 HB VAL 17 HB VAL 17 -1.637 -4.312 -4.066 94 HG11 VAL 17 1HG1 VAL 17 -2.363 -3.026 -5.845 95 HG12 VAL 17 2HG1 VAL 17 -0.612 -2.998 -6.061 96 HG13 VAL 17 3HG1 VAL 17 -1.606 -4.072 -7.046 97 HG21 VAL 17 1HG2 VAL 17 -3.267 -5.660 -5.031 98 HG22 VAL 17 2HG2 VAL 17 -2.243 -6.087 -6.403 99 HG23 VAL 17 3HG2 VAL 17 -1.914 -6.770 -4.811 100 H PHE 18 H PHE 18 1.710 -3.854 -6.381 101 HA PHE 18 HA PHE 18 2.692 -2.209 -4.150 102 HB2 PHE 18 1HB PHE 18 3.942 -2.843 -6.830 103 HB3 PHE 18 2HB PHE 18 4.630 -1.728 -5.654 104 HD1 PHE 18 2HD PHE 18 3.843 -5.247 -6.354 105 HD2 PHE 18 1HD PHE 18 5.759 -2.518 -3.709 106 HE1 PHE 18 2HE PHE 18 4.990 -7.124 -5.254 107 HE2 PHE 18 1HE PHE 18 6.911 -4.391 -2.605 108 HZ PHE 18 HZ PHE 18 6.526 -6.698 -3.376 109 H ALA 19 H ALA 19 2.158 -0.132 -4.066 110 HA ALA 19 HA ALA 19 1.440 1.264 -6.547 111 HB1 ALA 19 1HB ALA 19 -0.708 1.143 -5.926 112 HB2 ALA 19 2HB ALA 19 -0.306 0.709 -4.264 113 HB3 ALA 19 3HB ALA 19 -0.280 2.400 -4.765 114 H LYS 20 H LYS 20 2.567 3.075 -6.756 115 HA LYS 20 HA LYS 20 4.092 4.110 -4.531 116 HB2 LYS 20 1HB LYS 20 5.291 4.098 -6.551 117 HB3 LYS 20 2HB LYS 20 3.938 4.756 -7.463 118 HG2 LYS 20 1HG LYS 20 4.233 6.885 -6.160 119 HG3 LYS 20 2HG LYS 20 5.734 6.200 -5.533 120 HD2 LYS 20 1HD LYS 20 5.201 6.346 -8.482 121 HD3 LYS 20 2HD LYS 20 5.860 7.726 -7.601 122 HE2 LYS 20 1HE LYS 20 7.777 6.668 -8.326 123 HE3 LYS 20 2HE LYS 20 7.581 5.991 -6.710 124 HZ1 LYS 20 1HZ LYS 20 7.719 4.626 -9.137 125 HZ2 LYS 20 2HZ LYS 20 6.153 4.409 -8.536 126 HZ3 LYS 20 3HZ LYS 20 7.489 3.978 -7.591 127 H ALA 21 H ALA 21 3.882 6.117 -3.578 128 HA ALA 21 HA ALA 21 1.229 7.229 -3.586 129 HB1 ALA 21 1HB ALA 21 1.844 7.616 -1.487 130 HB2 ALA 21 2HB ALA 21 3.539 7.304 -1.861 131 HB3 ALA 21 3HB ALA 21 2.868 8.918 -2.094 132 H ILE 22 H ILE 22 0.531 8.782 -4.887 133 HA ILE 22 HA ILE 22 2.427 10.291 -6.491 134 HB ILE 22 HB ILE 22 0.319 11.222 -7.550 135 HG12 ILE 22 1HG1 ILE 22 -1.074 8.931 -6.184 136 HG13 ILE 22 2HG1 ILE 22 -1.052 10.537 -5.464 137 HG21 ILE 22 1HG2 ILE 22 0.201 9.459 -9.026 138 HG22 ILE 22 2HG2 ILE 22 1.747 9.149 -8.236 139 HG23 ILE 22 3HG2 ILE 22 0.312 8.245 -7.751 140 HD11 ILE 22 1HD1 ILE 22 -3.085 10.010 -6.800 141 HD12 ILE 22 2HD1 ILE 22 -2.223 11.460 -7.317 142 HD13 ILE 22 3HD1 ILE 22 -2.062 9.964 -8.236 143 H GLN 23 H GLN 23 0.259 10.767 -3.808 144 HA GLN 23 HA GLN 23 0.864 13.647 -3.831 145 HB2 GLN 23 1HB GLN 23 -1.469 12.069 -2.814 146 HB3 GLN 23 2HB GLN 23 -1.089 13.624 -2.085 147 HG2 GLN 23 1HG GLN 23 -1.304 14.711 -4.247 148 HG3 GLN 23 2HG GLN 23 -1.635 13.156 -5.008 149 HE21 GLN 23 1HE2 GLN 23 -3.595 12.081 -4.500 150 HE22 GLN 23 2HE2 GLN 23 -4.965 12.964 -3.928 151 H LYS 24 H LYS 24 0.674 14.515 -1.420 152 HA LYS 24 HA LYS 24 2.540 12.879 0.166 153 HB2 LYS 24 1HB LYS 24 3.414 15.066 -0.614 154 HB3 LYS 24 2HB LYS 24 2.115 15.872 0.255 155 HG2 LYS 24 1HG LYS 24 2.981 14.958 2.364 156 HG3 LYS 24 2HG LYS 24 4.308 14.206 1.475 157 HD2 LYS 24 1HD LYS 24 5.274 16.266 0.942 158 HD3 LYS 24 2HD LYS 24 3.788 17.155 1.286 159 HE2 LYS 24 1HE LYS 24 5.317 17.577 3.069 160 HE3 LYS 24 2HE LYS 24 4.055 16.512 3.686 161 HZ1 LYS 24 1HZ LYS 24 5.552 14.967 4.166 162 HZ2 LYS 24 2HZ LYS 24 6.765 16.093 3.816 163 HZ3 LYS 24 3HZ LYS 24 6.231 15.025 2.617 164 H ARG 25 H ARG 25 1.786 12.026 1.981 165 HA ARG 25 HA ARG 25 -0.677 13.132 3.140 166 HB2 ARG 25 1HB ARG 25 0.501 10.403 2.993 167 HB3 ARG 25 2HB ARG 25 -0.445 10.802 4.421 168 HG2 ARG 25 1HG ARG 25 -1.610 11.418 1.762 169 HG3 ARG 25 2HG ARG 25 -1.542 9.732 2.277 170 HD2 ARG 25 1HD ARG 25 -3.638 10.517 2.999 171 HD3 ARG 25 2HD ARG 25 -2.623 10.507 4.440 172 HE ARG 25 HE ARG 25 -2.743 12.804 4.516 173 HH11 ARG 25 2HH1 ARG 25 -4.025 11.650 1.492 174 HH12 ARG 25 1HH1 ARG 25 -4.686 13.185 1.036 175 HH21 ARG 25 2HH2 ARG 25 -3.609 14.831 3.927 176 HH22 ARG 25 1HH2 ARG 25 -4.449 14.994 2.422 177 H VAL 26 H VAL 26 -0.700 13.985 5.133 178 HA VAL 26 HA VAL 26 1.678 13.625 6.832 179 HB VAL 26 HB VAL 26 0.172 16.218 6.466 180 HG11 VAL 26 1HG1 VAL 26 0.978 16.594 8.527 181 HG12 VAL 26 2HG1 VAL 26 2.138 15.267 8.424 182 HG13 VAL 26 3HG1 VAL 26 2.517 16.830 7.699 183 HG21 VAL 26 1HG2 VAL 26 2.129 17.044 5.331 184 HG22 VAL 26 2HG2 VAL 26 2.970 15.515 5.585 185 HG23 VAL 26 3HG2 VAL 26 1.568 15.584 4.517 186 HA PRO 27 HA PRO 27 -1.923 12.399 9.348 187 HB2 PRO 27 1HB PRO 27 -0.498 10.719 10.934 188 HB3 PRO 27 2HB PRO 27 -1.124 10.245 9.350 189 HG2 PRO 27 1HG PRO 27 1.633 11.130 10.110 190 HG3 PRO 27 2HG PRO 27 1.138 9.805 9.040 191 HD2 PRO 27 1HD PRO 27 1.975 12.203 8.100 192 HD3 PRO 27 2HD PRO 27 0.761 11.218 7.258 193 H CYS 28 H CYS 28 -2.460 12.826 11.526 194 HA CYS 28 HA CYS 28 -1.022 15.028 12.676 195 HB2 CYS 28 1HB CYS 28 -3.562 13.580 13.282 196 HB3 CYS 28 2HB CYS 28 -2.833 14.555 14.553 197 HG CYS 28 HG CYS 28 -4.351 15.533 11.707 198 H ALA 29 H ALA 29 -0.629 15.012 15.117 199 HA ALA 29 HA ALA 29 1.332 13.049 15.686 200 HB1 ALA 29 1HB ALA 29 0.103 15.292 17.232 201 HB2 ALA 29 2HB ALA 29 1.157 14.132 18.041 202 HB3 ALA 29 3HB ALA 29 1.768 15.085 16.689 203 H TYR 30 H TYR 30 -1.905 13.641 17.044 204 HA TYR 30 HA TYR 30 -1.874 11.464 18.834 205 HB2 TYR 30 1HB TYR 30 -4.379 11.757 18.818 206 HB3 TYR 30 2HB TYR 30 -3.462 13.211 19.197 207 HD1 TYR 30 2HD TYR 30 -3.222 14.997 17.479 208 HD2 TYR 30 1HD TYR 30 -5.777 11.645 16.894 209 HE1 TYR 30 2HE TYR 30 -4.385 16.205 15.679 210 HE2 TYR 30 1HE TYR 30 -6.946 12.843 15.092 211 HH TYR 30 HH TYR 30 -5.917 16.082 14.071 212 H ASP 31 H ASP 31 -2.968 11.786 15.495 213 HA ASP 31 HA ASP 31 -4.171 9.239 15.283 214 HB2 ASP 31 1HB ASP 31 -4.393 11.259 13.706 215 HB3 ASP 31 2HB ASP 31 -2.888 10.698 12.982 216 H LYS 32 H LYS 32 -3.253 7.307 15.316 217 HA LYS 32 HA LYS 32 -0.411 7.084 14.572 218 HB2 LYS 32 1HB LYS 32 -2.060 5.784 16.684 219 HB3 LYS 32 2HB LYS 32 -0.783 4.827 15.944 220 HG2 LYS 32 1HG LYS 32 0.340 5.735 17.711 221 HG3 LYS 32 2HG LYS 32 0.678 6.939 16.465 222 HD2 LYS 32 1HD LYS 32 -0.796 8.479 17.372 223 HD3 LYS 32 2HD LYS 32 -1.723 7.242 18.224 224 HE2 LYS 32 1HE LYS 32 -0.580 8.132 19.985 225 HE3 LYS 32 2HE LYS 32 0.579 6.902 19.483 226 HZ1 LYS 32 1HZ LYS 32 0.656 9.774 18.729 227 HZ2 LYS 32 2HZ LYS 32 1.757 8.598 18.213 228 HZ3 LYS 32 3HZ LYS 32 1.670 9.014 19.851 229 H THR 33 H THR 33 -3.615 6.023 13.907 230 HA THR 33 HA THR 33 -2.874 3.638 12.484 231 HB THR 33 HB THR 33 -5.240 3.637 11.710 232 HG1 THR 33 1HG THR 33 -5.244 6.115 11.992 233 HG21 THR 33 1HG2 THR 33 -4.704 3.989 14.656 234 HG22 THR 33 2HG2 THR 33 -4.790 2.482 13.743 235 HG23 THR 33 3HG2 THR 33 -6.249 3.434 14.013 236 H ALA 34 H ALA 34 -3.217 6.999 11.730 237 HA ALA 34 HA ALA 34 -3.532 6.697 8.907 238 HB1 ALA 34 1HB ALA 34 -4.305 8.732 9.736 239 HB2 ALA 34 2HB ALA 34 -2.848 9.005 10.693 240 HB3 ALA 34 3HB ALA 34 -2.791 9.156 8.937 241 H LEU 35 H LEU 35 -2.011 5.795 7.683 242 HA LEU 35 HA LEU 35 0.750 5.742 8.416 243 HB2 LEU 35 1HB LEU 35 -0.714 4.110 6.945 244 HB3 LEU 35 2HB LEU 35 -0.146 5.149 5.640 245 HG LEU 35 HG LEU 35 1.584 3.540 7.517 246 HD11 LEU 35 1HD1 LEU 35 1.851 1.993 5.858 247 HD12 LEU 35 2HD1 LEU 35 1.479 3.141 4.572 248 HD13 LEU 35 3HD1 LEU 35 0.180 2.475 5.562 249 HD21 LEU 35 1HD2 LEU 35 2.158 5.736 5.654 250 HD22 LEU 35 2HD2 LEU 35 3.179 4.311 5.463 251 HD23 LEU 35 3HD2 LEU 35 3.092 5.131 7.023 252 H ALA 36 H ALA 36 2.448 6.906 7.628 253 HA ALA 36 HA ALA 36 1.762 9.349 6.173 254 HB1 ALA 36 1HB ALA 36 2.968 9.677 8.234 255 HB2 ALA 36 2HB ALA 36 4.249 8.587 7.698 256 HB3 ALA 36 3HB ALA 36 4.001 10.128 6.877 257 H LEU 37 H LEU 37 2.552 9.850 4.191 258 HA LEU 37 HA LEU 37 4.589 8.135 2.987 259 HB2 LEU 37 1HB LEU 37 1.953 8.724 1.650 260 HB3 LEU 37 2HB LEU 37 3.289 7.796 0.972 261 HG LEU 37 HG LEU 37 1.667 6.971 3.379 262 HD11 LEU 37 1HD1 LEU 37 0.311 6.970 1.349 263 HD12 LEU 37 2HD1 LEU 37 0.645 5.328 1.896 264 HD13 LEU 37 3HD1 LEU 37 1.532 5.998 0.528 265 HD21 LEU 37 1HD2 LEU 37 3.108 4.908 1.955 266 HD22 LEU 37 2HD2 LEU 37 3.123 5.315 3.671 267 HD23 LEU 37 3HD2 LEU 37 4.194 6.162 2.554 268 H GLU 38 H GLU 38 5.488 9.038 0.996 269 HA GLU 38 HA GLU 38 5.019 11.918 0.670 270 HB2 GLU 38 1HB GLU 38 7.350 12.426 0.687 271 HB3 GLU 38 2HB GLU 38 7.012 11.496 2.141 272 HG2 GLU 38 1HG GLU 38 7.733 9.471 0.659 273 HG3 GLU 38 2HG GLU 38 8.534 10.717 -0.296 274 H VAL 39 H VAL 39 5.378 12.731 -1.392 275 HA VAL 39 HA VAL 39 4.716 11.291 -3.577 276 HB VAL 39 HB VAL 39 6.706 13.564 -3.548 277 HG11 VAL 39 1HG1 VAL 39 4.995 12.566 -5.822 278 HG12 VAL 39 2HG1 VAL 39 6.139 13.909 -5.869 279 HG13 VAL 39 3HG1 VAL 39 6.723 12.259 -5.648 280 HG21 VAL 39 1HG2 VAL 39 4.770 14.407 -2.565 281 HG22 VAL 39 2HG2 VAL 39 4.575 14.826 -4.267 282 HG23 VAL 39 3HG2 VAL 39 3.711 13.443 -3.595 283 H GLY 40 H GLY 40 5.524 9.390 -4.208 284 HA2 GLY 40 1HA GLY 40 7.161 8.219 -5.483 285 HA3 GLY 40 2HA GLY 40 8.399 9.255 -4.790 286 H ASP 41 H ASP 41 5.845 7.276 -3.299 287 HA ASP 41 HA ASP 41 7.951 5.737 -1.936 288 HB2 ASP 41 1HB ASP 41 5.670 7.248 -0.761 289 HB3 ASP 41 2HB ASP 41 6.078 5.696 -0.033 290 H ILE 42 H ILE 42 7.748 3.619 -2.203 291 HA ILE 42 HA ILE 42 5.436 2.538 -3.534 292 HB ILE 42 HB ILE 42 7.879 1.130 -2.449 293 HG12 ILE 42 1HG1 ILE 42 8.560 2.641 -4.170 294 HG13 ILE 42 2HG1 ILE 42 8.491 1.040 -4.899 295 HG21 ILE 42 1HG2 ILE 42 6.899 -0.794 -2.953 296 HG22 ILE 42 2HG2 ILE 42 5.418 0.081 -3.338 297 HG23 ILE 42 3HG2 ILE 42 6.604 -0.241 -4.602 298 HD11 ILE 42 1HD1 ILE 42 7.515 2.422 -6.483 299 HD12 ILE 42 2HD1 ILE 42 6.132 1.712 -5.649 300 HD13 ILE 42 3HD1 ILE 42 6.641 3.358 -5.271 301 H VAL 43 H VAL 43 3.651 1.971 -2.496 302 HA VAL 43 HA VAL 43 3.790 1.244 0.336 303 HB VAL 43 HB VAL 43 1.367 1.798 -1.382 304 HG11 VAL 43 1HG1 VAL 43 0.346 2.099 0.970 305 HG12 VAL 43 2HG1 VAL 43 0.588 0.463 0.355 306 HG13 VAL 43 3HG1 VAL 43 1.724 1.146 1.519 307 HG21 VAL 43 1HG2 VAL 43 3.254 3.591 -0.370 308 HG22 VAL 43 2HG2 VAL 43 1.655 3.972 -1.009 309 HG23 VAL 43 3HG2 VAL 43 1.872 3.701 0.720 310 H LYS 44 H LYS 44 4.125 -0.851 0.698 311 HA LYS 44 HA LYS 44 3.079 -2.852 -1.142 312 HB2 LYS 44 1HB LYS 44 5.389 -3.082 -0.368 313 HB3 LYS 44 2HB LYS 44 4.839 -3.132 1.302 314 HG2 LYS 44 1HG LYS 44 3.426 -5.171 0.426 315 HG3 LYS 44 2HG LYS 44 4.681 -5.212 -0.814 316 HD2 LYS 44 1HD LYS 44 6.313 -5.067 1.203 317 HD3 LYS 44 2HD LYS 44 4.923 -5.612 2.143 318 HE2 LYS 44 1HE LYS 44 4.722 -7.486 0.414 319 HE3 LYS 44 2HE LYS 44 6.344 -7.023 -0.097 320 HZ1 LYS 44 1HZ LYS 44 7.268 -7.838 1.780 321 HZ2 LYS 44 2HZ LYS 44 5.899 -8.831 1.769 322 HZ3 LYS 44 3HZ LYS 44 5.939 -7.458 2.756 323 H VAL 45 H VAL 45 1.008 -3.379 -0.848 324 HA VAL 45 HA VAL 45 -0.005 -3.651 1.902 325 HB VAL 45 HB VAL 45 -1.426 -2.151 0.831 326 HG11 VAL 45 1HG1 VAL 45 -2.377 -2.694 -1.483 327 HG12 VAL 45 2HG1 VAL 45 -0.696 -2.163 -1.393 328 HG13 VAL 45 3HG1 VAL 45 -1.071 -3.874 -1.601 329 HG21 VAL 45 1HG2 VAL 45 -2.654 -4.871 0.392 330 HG22 VAL 45 2HG2 VAL 45 -2.689 -3.941 1.890 331 HG23 VAL 45 3HG2 VAL 45 -3.539 -3.347 0.463 332 H THR 46 H THR 46 -0.736 -5.563 2.643 333 HA THR 46 HA THR 46 -0.522 -7.867 0.831 334 HB THR 46 HB THR 46 -0.303 -9.255 2.835 335 HG1 THR 46 1HG THR 46 -0.879 -8.480 4.711 336 HG21 THR 46 1HG2 THR 46 1.559 -6.877 2.904 337 HG22 THR 46 2HG2 THR 46 1.721 -8.274 1.839 338 HG23 THR 46 3HG2 THR 46 1.882 -8.471 3.584 339 H ARG 47 H ARG 47 -2.680 -6.165 2.984 340 HA ARG 47 HA ARG 47 -4.855 -7.952 2.126 341 HB2 ARG 47 1HB ARG 47 -4.424 -6.781 4.878 342 HB3 ARG 47 2HB ARG 47 -5.910 -7.568 4.364 343 HG2 ARG 47 1HG ARG 47 -4.850 -9.665 4.168 344 HG3 ARG 47 2HG ARG 47 -3.243 -8.945 4.280 345 HD2 ARG 47 1HD ARG 47 -3.523 -8.445 6.574 346 HD3 ARG 47 2HD ARG 47 -5.255 -8.771 6.507 347 HE ARG 47 HE ARG 47 -3.163 -10.675 6.898 348 HH11 ARG 47 2HH1 ARG 47 -6.356 -10.235 5.582 349 HH12 ARG 47 1HH1 ARG 47 -6.799 -11.900 5.756 350 HH21 ARG 47 2HH2 ARG 47 -3.736 -12.871 7.133 351 HH22 ARG 47 1HH2 ARG 47 -5.309 -13.399 6.640 352 H MET 48 H MET 48 -6.629 -6.967 1.348 353 HA MET 48 HA MET 48 -6.757 -4.032 1.578 354 HB2 MET 48 1HB MET 48 -7.571 -5.848 -0.690 355 HB3 MET 48 2HB MET 48 -8.035 -4.155 -0.602 356 HG2 MET 48 1HG MET 48 -5.585 -3.605 -0.469 357 HG3 MET 48 2HG MET 48 -5.270 -5.295 -0.856 358 HE1 MET 48 1HE MET 48 -4.697 -2.721 -3.996 359 HE2 MET 48 2HE MET 48 -4.476 -2.486 -2.262 360 HE3 MET 48 3HE MET 48 -3.802 -3.913 -3.053 361 H ASN 49 H ASN 49 -8.229 -3.588 3.101 362 HA ASN 49 HA ASN 49 -10.434 -5.236 3.742 363 HB2 ASN 49 1HB ASN 49 -10.166 -2.286 4.343 364 HB3 ASN 49 2HB ASN 49 -11.119 -3.474 5.227 365 HD21 ASN 49 1HD2 ASN 49 -8.605 -1.647 5.642 366 HD22 ASN 49 2HD2 ASN 49 -7.554 -2.678 6.547 367 H ILE 50 H ILE 50 -12.623 -5.016 3.299 368 HA ILE 50 HA ILE 50 -13.319 -4.181 0.712 369 HB ILE 50 HB ILE 50 -15.158 -4.662 3.060 370 HG12 ILE 50 1HG1 ILE 50 -15.407 -6.884 1.619 371 HG13 ILE 50 2HG1 ILE 50 -13.769 -6.462 1.129 372 HG21 ILE 50 1HG2 ILE 50 -15.641 -4.377 0.113 373 HG22 ILE 50 2HG2 ILE 50 -16.760 -5.253 1.156 374 HG23 ILE 50 3HG2 ILE 50 -16.436 -3.545 1.450 375 HD11 ILE 50 1HD1 ILE 50 -12.969 -7.312 3.002 376 HD12 ILE 50 2HD1 ILE 50 -13.980 -6.231 3.961 377 HD13 ILE 50 3HD1 ILE 50 -14.602 -7.802 3.453 378 H ASN 51 H ASN 51 -13.896 -2.667 3.873 379 HA ASN 51 HA ASN 51 -15.491 -0.584 3.370 380 HB2 ASN 51 1HB ASN 51 -14.540 -0.744 5.537 381 HB3 ASN 51 2HB ASN 51 -12.900 -0.595 4.913 382 HD21 ASN 51 1HD2 ASN 51 -12.138 1.431 4.279 383 HD22 ASN 51 2HD2 ASN 51 -12.905 2.892 4.790 384 H GLY 52 H GLY 52 -11.986 -0.470 2.698 385 HA2 GLY 52 1HA GLY 52 -12.010 0.603 0.202 386 HA3 GLY 52 2HA GLY 52 -12.244 2.002 1.239 387 H GLN 53 H GLN 53 -10.626 1.761 3.281 388 HA GLN 53 HA GLN 53 -8.039 2.151 2.154 389 HB2 GLN 53 1HB GLN 53 -7.357 2.823 4.299 390 HB3 GLN 53 2HB GLN 53 -9.045 3.307 4.202 391 HG2 GLN 53 1HG GLN 53 -8.025 0.815 5.547 392 HG3 GLN 53 2HG GLN 53 -8.471 2.311 6.365 393 HE21 GLN 53 1HE2 GLN 53 -10.479 2.484 7.064 394 HE22 GLN 53 2HE2 GLN 53 -11.814 1.509 6.564 395 H TRP 54 H TRP 54 -6.204 0.909 2.301 396 HA TRP 54 HA TRP 54 -6.643 -1.892 3.079 397 HB2 TRP 54 1HB TRP 54 -4.343 -0.947 1.392 398 HB3 TRP 54 2HB TRP 54 -5.081 -2.545 1.462 399 HD1 TRP 54 HD TRP 54 -8.107 -1.714 0.957 400 HE1 TRP 54 1HE TRP 54 -8.823 -0.896 -1.377 401 HE3 TRP 54 3HE TRP 54 -3.538 -0.287 -0.840 402 HZ2 TRP 54 2HZ TRP 54 -7.611 0.208 -3.675 403 HZ3 TRP 54 3HZ TRP 54 -3.403 0.640 -3.115 404 HH2 TRP 54 HH TRP 54 -5.398 0.881 -4.502 405 H GLU 55 H GLU 55 -4.495 -3.006 3.729 406 HA GLU 55 HA GLU 55 -3.198 -1.297 5.747 407 HB2 GLU 55 1HB GLU 55 -4.614 -3.368 6.415 408 HB3 GLU 55 2HB GLU 55 -3.231 -4.298 5.855 409 HG2 GLU 55 1HG GLU 55 -1.806 -3.308 7.483 410 HG3 GLU 55 2HG GLU 55 -3.044 -2.137 7.936 411 H GLY 56 H GLY 56 -1.292 -0.620 4.988 412 HA2 GLY 56 1HA GLY 56 0.497 -2.651 3.807 413 HA3 GLY 56 2HA GLY 56 0.374 -1.032 3.133 414 H GLU 57 H GLU 57 2.781 -2.211 4.016 415 HA GLU 57 HA GLU 57 3.392 -0.536 6.363 416 HB2 GLU 57 1HB GLU 57 3.552 -3.109 6.575 417 HB3 GLU 57 2HB GLU 57 5.000 -2.955 5.589 418 HG2 GLU 57 1HG GLU 57 4.730 -1.259 8.017 419 HG3 GLU 57 2HG GLU 57 5.132 -2.965 8.203 420 H VAL 58 H VAL 58 4.762 1.076 6.013 421 HA VAL 58 HA VAL 58 6.839 0.808 3.974 422 HB VAL 58 HB VAL 58 4.916 3.137 4.063 423 HG11 VAL 58 1HG1 VAL 58 6.231 3.758 1.945 424 HG12 VAL 58 2HG1 VAL 58 6.979 4.080 3.511 425 HG13 VAL 58 3HG1 VAL 58 7.474 2.674 2.568 426 HG21 VAL 58 1HG2 VAL 58 5.376 1.363 1.700 427 HG22 VAL 58 2HG2 VAL 58 4.252 0.876 2.970 428 HG23 VAL 58 3HG2 VAL 58 3.985 2.378 2.084 429 H ASN 59 H ASN 59 8.732 1.589 4.651 430 HA ASN 59 HA ASN 59 10.309 2.643 5.906 431 HB2 ASN 59 1HB ASN 59 8.054 4.578 6.479 432 HB3 ASN 59 2HB ASN 59 9.751 4.863 6.853 433 HD21 ASN 59 1HD2 ASN 59 7.815 6.237 5.059 434 HD22 ASN 59 2HD2 ASN 59 8.600 6.299 3.521 435 H GLY 60 H GLY 60 9.125 0.466 7.074 436 HA2 GLY 60 1HA GLY 60 8.890 -0.589 9.099 437 HA3 GLY 60 2HA GLY 60 9.819 0.745 9.767 438 H ARG 61 H ARG 61 6.674 0.994 8.194 439 HA ARG 61 HA ARG 61 5.322 1.307 10.746 440 HB2 ARG 61 1HB ARG 61 6.103 3.551 10.430 441 HB3 ARG 61 2HB ARG 61 5.596 3.550 8.746 442 HG2 ARG 61 1HG ARG 61 3.880 4.730 9.645 443 HG3 ARG 61 2HG ARG 61 3.229 3.101 9.839 444 HD2 ARG 61 1HD ARG 61 3.550 3.093 12.103 445 HD3 ARG 61 2HD ARG 61 4.920 4.200 12.020 446 HE ARG 61 HE ARG 61 2.353 5.353 11.346 447 HH11 ARG 61 2HH1 ARG 61 4.711 4.735 13.832 448 HH12 ARG 61 1HH1 ARG 61 4.149 6.009 14.863 449 HH21 ARG 61 2HH2 ARG 61 1.604 7.033 12.695 450 HH22 ARG 61 1HH2 ARG 61 2.381 7.314 14.216 451 H LYS 62 H LYS 62 3.207 0.750 10.654 452 HA LYS 62 HA LYS 62 2.076 0.217 7.985 453 HB2 LYS 62 1HB LYS 62 0.744 -1.594 9.181 454 HB3 LYS 62 2HB LYS 62 2.459 -1.904 8.947 455 HG2 LYS 62 1HG LYS 62 2.950 -1.500 11.209 456 HG3 LYS 62 2HG LYS 62 1.379 -0.750 11.498 457 HD2 LYS 62 1HD LYS 62 0.977 -2.812 12.389 458 HD3 LYS 62 2HD LYS 62 0.512 -3.129 10.716 459 HE2 LYS 62 1HE LYS 62 3.048 -3.755 10.465 460 HE3 LYS 62 2HE LYS 62 2.949 -3.982 12.210 461 HZ1 LYS 62 1HZ LYS 62 1.451 -5.704 11.988 462 HZ2 LYS 62 2HZ LYS 62 2.472 -5.964 10.665 463 HZ3 LYS 62 3HZ LYS 62 0.961 -5.240 10.437 464 H GLY 63 H GLY 63 0.316 1.353 7.514 465 HA2 GLY 63 1HA GLY 63 -1.645 1.947 9.579 466 HA3 GLY 63 2HA GLY 63 -0.852 3.342 8.862 467 H LEU 64 H LEU 64 -3.521 3.217 8.642 468 HA LEU 64 HA LEU 64 -4.276 1.955 6.150 469 HB2 LEU 64 1HB LEU 64 -5.870 3.870 7.841 470 HB3 LEU 64 2HB LEU 64 -6.484 2.788 6.592 471 HG LEU 64 HG LEU 64 -5.237 1.850 9.173 472 HD11 LEU 64 1HD1 LEU 64 -7.854 1.210 9.367 473 HD12 LEU 64 2HD1 LEU 64 -7.959 2.762 8.537 474 HD13 LEU 64 3HD1 LEU 64 -7.129 2.646 10.089 475 HD21 LEU 64 1HD2 LEU 64 -6.517 0.518 6.827 476 HD22 LEU 64 2HD2 LEU 64 -6.662 -0.207 8.429 477 HD23 LEU 64 3HD2 LEU 64 -5.067 0.067 7.726 478 H PHE 65 H PHE 65 -4.015 2.855 4.226 479 HA PHE 65 HA PHE 65 -3.915 5.794 4.049 480 HB2 PHE 65 1HB PHE 65 -2.320 5.548 2.190 481 HB3 PHE 65 2HB PHE 65 -1.693 4.844 3.676 482 HD1 PHE 65 1HD PHE 65 -1.608 2.395 3.944 483 HD2 PHE 65 2HD PHE 65 -2.742 4.218 0.269 484 HE1 PHE 65 1HE PHE 65 -1.215 0.268 2.772 485 HE2 PHE 65 2HE PHE 65 -2.352 2.094 -0.909 486 HZ PHE 65 HZ PHE 65 -1.588 0.115 0.342 487 HA PRO 66 HA PRO 66 -7.271 5.471 1.218 488 HB2 PRO 66 1HB PRO 66 -6.974 7.848 -0.060 489 HB3 PRO 66 2HB PRO 66 -7.599 7.715 1.588 490 HG2 PRO 66 1HG PRO 66 -4.838 8.405 0.659 491 HG3 PRO 66 2HG PRO 66 -5.802 9.146 1.950 492 HD2 PRO 66 1HD PRO 66 -3.840 7.346 2.446 493 HD3 PRO 66 2HD PRO 66 -5.292 7.479 3.459 494 H PHE 67 H PHE 67 -7.527 4.515 -0.706 495 HA PHE 67 HA PHE 67 -5.296 3.905 -2.349 496 HB2 PHE 67 1HB PHE 67 -7.083 2.979 -3.904 497 HB3 PHE 67 2HB PHE 67 -7.042 2.300 -2.280 498 HD1 PHE 67 2HD PHE 67 -8.683 5.080 -4.151 499 HD2 PHE 67 1HD PHE 67 -9.034 2.062 -1.170 500 HE1 PHE 67 2HE PHE 67 -11.060 5.647 -3.862 501 HE2 PHE 67 1HE PHE 67 -11.411 2.624 -0.876 502 HZ PHE 67 HZ PHE 67 -12.427 4.419 -2.222 503 H THR 68 H THR 68 -7.717 6.398 -2.401 504 HA THR 68 HA THR 68 -7.371 7.192 -5.109 505 HB THR 68 HB THR 68 -9.385 7.807 -3.868 506 HG1 THR 68 1HG THR 68 -7.725 9.763 -5.000 507 HG21 THR 68 1HG2 THR 68 -9.292 8.621 -1.798 508 HG22 THR 68 2HG2 THR 68 -8.424 10.043 -2.379 509 HG23 THR 68 3HG2 THR 68 -7.531 8.606 -1.882 510 H HIS 69 H HIS 69 -5.299 7.361 -2.522 511 HA HIS 69 HA HIS 69 -4.045 9.867 -3.369 512 HB2 HIS 69 1HB HIS 69 -4.346 9.627 -0.978 513 HB3 HIS 69 2HB HIS 69 -3.523 8.071 -0.993 514 HD1 HIS 69 1HD HIS 69 -2.930 11.641 -0.587 515 HD2 HIS 69 2HD HIS 69 -0.679 8.306 -1.626 516 HE1 HIS 69 1HE HIS 69 -0.529 12.335 -0.304 517 HE2 HIS 69 2HE HIS 69 0.815 10.329 -1.019 518 H VAL 70 H VAL 70 -3.580 6.417 -3.393 519 HA VAL 70 HA VAL 70 -0.894 6.753 -4.538 520 HB VAL 70 HB VAL 70 -0.605 4.336 -4.149 521 HG11 VAL 70 1HG1 VAL 70 -1.342 6.116 -1.850 522 HG12 VAL 70 2HG1 VAL 70 -0.751 4.474 -1.589 523 HG13 VAL 70 3HG1 VAL 70 0.259 5.654 -2.426 524 HG21 VAL 70 1HG2 VAL 70 -3.397 4.348 -3.941 525 HG22 VAL 70 2HG2 VAL 70 -2.312 2.975 -3.725 526 HG23 VAL 70 3HG2 VAL 70 -2.798 3.941 -2.333 527 H LYS 71 H LYS 71 -0.337 5.783 -6.497 528 HA LYS 71 HA LYS 71 -2.631 5.056 -8.196 529 HB2 LYS 71 1HB LYS 71 -1.368 7.141 -8.802 530 HB3 LYS 71 2HB LYS 71 0.043 6.135 -9.099 531 HG2 LYS 71 1HG LYS 71 -1.342 4.876 -10.778 532 HG3 LYS 71 2HG LYS 71 -2.567 6.132 -10.588 533 HD2 LYS 71 1HD LYS 71 0.271 6.849 -11.228 534 HD3 LYS 71 2HD LYS 71 -0.838 6.340 -12.504 535 HE2 LYS 71 1HE LYS 71 -2.424 8.120 -11.604 536 HE3 LYS 71 2HE LYS 71 -1.047 8.724 -10.684 537 HZ1 LYS 71 1HZ LYS 71 0.105 9.252 -12.635 538 HZ2 LYS 71 2HZ LYS 71 -1.476 9.779 -12.925 539 HZ3 LYS 71 3HZ LYS 71 -0.926 8.336 -13.615 540 H ILE 72 H ILE 72 -2.708 3.063 -9.006 541 HA ILE 72 HA ILE 72 -0.723 1.134 -8.339 542 HB ILE 72 HB ILE 72 -3.076 0.913 -10.219 543 HG12 ILE 72 1HG1 ILE 72 -3.513 1.429 -7.764 544 HG13 ILE 72 2HG1 ILE 72 -4.288 -0.017 -8.403 545 HG21 ILE 72 1HG2 ILE 72 -2.714 -1.591 -9.576 546 HG22 ILE 72 2HG2 ILE 72 -1.761 -0.861 -10.868 547 HG23 ILE 72 3HG2 ILE 72 -1.059 -1.067 -9.263 548 HD11 ILE 72 1HD1 ILE 72 -3.213 -1.341 -6.977 549 HD12 ILE 72 2HD1 ILE 72 -1.667 -0.540 -7.260 550 HD13 ILE 72 3HD1 ILE 72 -2.813 0.138 -6.104 551 H PHE 73 H PHE 73 0.828 0.177 -9.573 552 HA PHE 73 HA PHE 73 1.017 0.727 -12.409 553 HB2 PHE 73 1HB PHE 73 3.129 1.824 -12.372 554 HB3 PHE 73 2HB PHE 73 2.109 2.680 -11.220 555 HD1 PHE 73 1HD PHE 73 2.359 2.109 -8.757 556 HD2 PHE 73 2HD PHE 73 5.179 0.935 -11.721 557 HE1 PHE 73 1HE PHE 73 4.055 1.775 -7.006 558 HE2 PHE 73 2HE PHE 73 6.879 0.598 -9.975 559 HZ PHE 73 HZ PHE 73 6.319 1.017 -7.614 560 H ASP 74 H ASP 74 2.761 -0.496 -13.443 561 HA ASP 74 HA ASP 74 2.989 -3.114 -12.277 562 HB2 ASP 74 1HB ASP 74 3.851 -1.889 -14.884 563 HB3 ASP 74 2HB ASP 74 4.389 -3.501 -14.421 564 HA PRO 75 HA PRO 75 6.818 -2.035 -10.215 565 HB2 PRO 75 1HB PRO 75 7.065 -4.404 -8.913 566 HB3 PRO 75 2HB PRO 75 5.974 -3.122 -8.375 567 HG2 PRO 75 1HG PRO 75 5.363 -5.592 -9.952 568 HG3 PRO 75 2HG PRO 75 4.460 -4.872 -8.606 569 HD2 PRO 75 1HD PRO 75 3.727 -4.543 -11.192 570 HD3 PRO 75 2HD PRO 75 3.455 -3.298 -9.956 571 H GLN 76 H GLN 76 6.256 -4.039 -12.775 572 HA GLN 76 HA GLN 76 8.733 -5.508 -12.759 573 HB2 GLN 76 1HB GLN 76 6.587 -5.125 -14.845 574 HB3 GLN 76 2HB GLN 76 8.036 -6.081 -15.127 575 HG2 GLN 76 1HG GLN 76 6.238 -7.542 -14.535 576 HG3 GLN 76 2HG GLN 76 7.415 -7.521 -13.222 577 HE21 GLN 76 1HE2 GLN 76 6.016 -8.122 -11.627 578 HE22 GLN 76 2HE2 GLN 76 4.720 -7.125 -11.070 579 H ASN 77 H ASN 77 9.406 -2.922 -12.393 580 HA ASN 77 HA ASN 77 10.125 -1.753 -14.957 581 HB2 ASN 77 1HB ASN 77 9.346 -0.532 -12.741 582 HB3 ASN 77 2HB ASN 77 11.062 -0.618 -12.358 583 HD21 ASN 77 1HD2 ASN 77 8.867 0.315 -14.976 584 HD22 ASN 77 2HD2 ASN 77 9.795 1.674 -15.502 585 HA PRO 78 HA PRO 78 14.105 -3.686 -15.006 586 HB2 PRO 78 1HB PRO 78 15.195 -2.172 -16.979 587 HB3 PRO 78 2HB PRO 78 14.011 -3.447 -17.289 588 HG2 PRO 78 1HG PRO 78 13.601 -0.488 -17.095 589 HG3 PRO 78 2HG PRO 78 12.922 -1.638 -18.263 590 HD2 PRO 78 1HD PRO 78 11.517 -0.717 -16.140 591 HD3 PRO 78 2HD PRO 78 11.285 -2.347 -16.803 592 H ASP 79 H ASP 79 13.448 -0.472 -14.112 593 HA ASP 79 HA ASP 79 16.249 0.110 -13.487 594 HB2 ASP 79 1HB ASP 79 13.760 1.817 -13.478 595 HB3 ASP 79 2HB ASP 79 15.303 2.376 -12.839 596 H GLU 80 H GLU 80 13.073 0.194 -11.866 597 HA GLU 80 HA GLU 80 14.073 0.554 -9.268 598 HB2 GLU 80 1HB GLU 80 11.484 -0.439 -10.396 599 HB3 GLU 80 2HB GLU 80 11.784 -0.586 -8.670 600 HG2 GLU 80 1HG GLU 80 11.821 1.704 -8.347 601 HG3 GLU 80 2HG GLU 80 12.159 2.039 -10.044 602 H ASN 81 H ASN 81 15.878 -0.922 -9.221 603 HA ASN 81 HA ASN 81 15.702 -3.692 -9.493 604 HB2 ASN 81 1HB ASN 81 17.796 -2.234 -9.258 605 HB3 ASN 81 2HB ASN 81 17.529 -2.327 -7.520 606 HD21 ASN 81 1HD2 ASN 81 18.314 -4.122 -10.401 607 HD22 ASN 81 2HD2 ASN 81 18.955 -5.511 -9.599 608 H GLU 82 H GLU 82 15.586 -1.758 -6.497 609 HA GLU 82 HA GLU 82 14.663 -4.067 -5.000 610 HB2 GLU 82 1HB GLU 82 15.250 -1.219 -4.182 611 HB3 GLU 82 2HB GLU 82 14.687 -2.458 -3.070 612 HG2 GLU 82 1HG GLU 82 16.668 -3.727 -3.339 613 HG3 GLU 82 2HG GLU 82 17.193 -2.740 -4.701 614 H SER 83 H SER 83 12.725 -3.995 -3.686 615 HA SER 83 HA SER 83 10.462 -3.832 -3.491 616 HB2 SER 83 1HB SER 83 11.250 -0.996 -4.122 617 HB3 SER 83 2HB SER 83 9.561 -1.434 -3.865 618 HG SER 83 HG SER 83 11.342 -0.887 -2.032 619 H GLY 84 H GLY 84 11.335 -4.895 -5.915 620 HA2 GLY 84 1HA GLY 84 9.072 -4.155 -7.624 621 HA3 GLY 84 2HA GLY 84 10.682 -4.112 -8.328 622 HA PRO 85 HA PRO 85 10.552 -8.390 -9.251 623 HB2 PRO 85 1HB PRO 85 13.004 -9.297 -8.520 624 HB3 PRO 85 2HB PRO 85 12.745 -8.254 -9.924 625 HG2 PRO 85 1HG PRO 85 13.680 -7.531 -7.173 626 HG3 PRO 85 2HG PRO 85 14.283 -6.970 -8.743 627 HD2 PRO 85 1HD PRO 85 12.610 -5.490 -7.213 628 HD3 PRO 85 2HD PRO 85 12.586 -5.430 -8.987 629 H SER 86 H SER 86 11.585 -7.599 -5.983 630 HA SER 86 HA SER 86 11.219 -10.244 -4.950 631 HB2 SER 86 1HB SER 86 11.620 -9.255 -2.775 632 HB3 SER 86 2HB SER 86 12.759 -8.561 -3.930 633 HG SER 86 HG SER 86 10.898 -6.904 -4.104 634 H SER 87 H SER 87 9.331 -11.189 -4.611 635 HA SER 87 HA SER 87 6.997 -9.498 -3.996 636 HB2 SER 87 1HB SER 87 6.787 -10.618 -6.170 637 HB3 SER 87 2HB SER 87 7.064 -12.180 -5.401 638 HG SER 87 HG SER 87 5.146 -11.552 -4.070 639 H GLY 88 H GLY 88 7.106 -9.560 -1.776 640 HA2 GLY 88 1HA GLY 88 7.163 -12.202 -0.489 641 HA3 GLY 88 2HA GLY 88 7.461 -10.666 0.312 Start of MODEL 17 1 H1 GLY 1 H GLY 1 17.305 -5.649 -20.434 2 HA2 GLY 1 1HA GLY 1 15.102 -7.012 -20.158 3 HA3 GLY 1 2HA GLY 1 15.950 -7.120 -21.694 4 H SER 2 H SER 2 14.309 -9.154 -20.966 5 HA SER 2 HA SER 2 16.130 -11.272 -20.032 6 HB2 SER 2 1HB SER 2 13.909 -10.794 -18.803 7 HB3 SER 2 2HB SER 2 13.135 -11.546 -20.198 8 HG SER 2 HG SER 2 14.943 -12.693 -18.354 9 H SER 3 H SER 3 16.552 -13.006 -21.297 10 HA SER 3 HA SER 3 16.952 -13.986 -23.345 11 HB2 SER 3 1HB SER 3 14.901 -15.095 -24.226 12 HB3 SER 3 2HB SER 3 15.095 -15.292 -22.485 13 HG SER 3 HG SER 3 13.551 -13.691 -22.168 14 H GLY 4 H GLY 4 17.008 -11.217 -23.643 15 HA2 GLY 4 1HA GLY 4 17.346 -10.139 -25.781 16 HA3 GLY 4 2HA GLY 4 15.907 -10.960 -26.366 17 H SER 5 H SER 5 13.837 -10.237 -25.631 18 HA SER 5 HA SER 5 13.638 -7.817 -24.087 19 HB2 SER 5 1HB SER 5 14.288 -6.996 -26.367 20 HB3 SER 5 2HB SER 5 12.803 -7.712 -26.994 21 HG SER 5 HG SER 5 12.953 -5.725 -24.970 22 H SER 6 H SER 6 11.484 -7.290 -23.522 23 HA SER 6 HA SER 6 9.794 -9.321 -22.909 24 HB2 SER 6 1HB SER 6 7.949 -7.585 -22.878 25 HB3 SER 6 2HB SER 6 9.399 -7.156 -21.971 26 HG SER 6 HG SER 6 10.055 -5.992 -23.913 27 H GLY 7 H GLY 7 7.701 -9.989 -23.749 28 HA2 GLY 7 1HA GLY 7 7.402 -9.640 -26.656 29 HA3 GLY 7 2HA GLY 7 7.466 -11.262 -25.983 30 HA PRO 8 HA PRO 8 3.118 -11.202 -25.442 31 HB2 PRO 8 1HB PRO 8 2.839 -12.816 -23.277 32 HB3 PRO 8 2HB PRO 8 3.279 -13.424 -24.878 33 HG2 PRO 8 1HG PRO 8 5.036 -12.834 -22.527 34 HG3 PRO 8 2HG PRO 8 5.076 -14.218 -23.635 35 HD2 PRO 8 1HD PRO 8 6.782 -12.126 -23.855 36 HD3 PRO 8 2HD PRO 8 6.208 -13.043 -25.263 37 H LEU 9 H LEU 9 1.395 -10.533 -24.024 38 HA LEU 9 HA LEU 9 2.290 -8.531 -22.082 39 HB2 LEU 9 1HB LEU 9 0.047 -7.600 -22.281 40 HB3 LEU 9 2HB LEU 9 0.833 -7.741 -23.852 41 HG LEU 9 HG LEU 9 -0.517 -9.978 -23.998 42 HD11 LEU 9 1HD1 LEU 9 -2.006 -10.386 -22.409 43 HD12 LEU 9 2HD1 LEU 9 -2.750 -8.807 -22.657 44 HD13 LEU 9 3HD1 LEU 9 -1.414 -8.982 -21.521 45 HD21 LEU 9 1HD2 LEU 9 -2.176 -8.861 -25.236 46 HD22 LEU 9 2HD2 LEU 9 -0.742 -7.840 -25.353 47 HD23 LEU 9 3HD2 LEU 9 -2.048 -7.404 -24.250 48 HA PRO 10 HA PRO 10 0.912 -10.836 -18.604 49 HB2 PRO 10 1HB PRO 10 0.231 -8.817 -16.922 50 HB3 PRO 10 2HB PRO 10 1.908 -9.221 -17.308 51 HG2 PRO 10 1HG PRO 10 0.172 -7.059 -18.437 52 HG3 PRO 10 2HG PRO 10 1.873 -6.984 -17.943 53 HD2 PRO 10 1HD PRO 10 1.117 -7.224 -20.532 54 HD3 PRO 10 2HD PRO 10 2.615 -7.940 -19.904 55 H SER 11 H SER 11 -0.931 -11.963 -18.815 56 HA SER 11 HA SER 11 -3.457 -10.619 -19.291 57 HB2 SER 11 1HB SER 11 -2.708 -12.825 -20.379 58 HB3 SER 11 2HB SER 11 -3.094 -13.576 -18.831 59 HG SER 11 HG SER 11 -4.869 -12.096 -20.481 60 H THR 12 H THR 12 -2.229 -12.946 -16.882 61 HA THR 12 HA THR 12 -3.820 -11.592 -14.834 62 HB THR 12 HB THR 12 -5.205 -13.476 -15.654 63 HG1 THR 12 1HG THR 12 -5.786 -13.360 -13.623 64 HG21 THR 12 1HG2 THR 12 -2.858 -14.846 -15.890 65 HG22 THR 12 2HG2 THR 12 -4.458 -15.587 -15.887 66 HG23 THR 12 3HG2 THR 12 -3.514 -15.521 -14.399 67 H GLN 13 H GLN 13 -3.000 -11.755 -12.752 68 HA GLN 13 HA GLN 13 -0.652 -13.409 -12.283 69 HB2 GLN 13 1HB GLN 13 -0.633 -10.401 -12.248 70 HB3 GLN 13 2HB GLN 13 0.509 -11.335 -11.291 71 HG2 GLN 13 1HG GLN 13 0.191 -11.634 -14.265 72 HG3 GLN 13 2HG GLN 13 1.362 -10.558 -13.503 73 HE21 GLN 13 1HE2 GLN 13 3.261 -11.363 -12.877 74 HE22 GLN 13 2HE2 GLN 13 3.687 -13.037 -12.898 75 H ASN 14 H ASN 14 0.127 -13.043 -9.934 76 HA ASN 14 HA ASN 14 -1.962 -12.214 -8.104 77 HB2 ASN 14 1HB ASN 14 -2.369 -14.663 -8.808 78 HB3 ASN 14 2HB ASN 14 -0.938 -15.034 -7.851 79 HD21 ASN 14 1HD2 ASN 14 -2.450 -16.340 -6.619 80 HD22 ASN 14 2HD2 ASN 14 -3.379 -15.592 -5.369 81 H GLY 15 H GLY 15 -1.221 -11.819 -6.013 82 HA2 GLY 15 1HA GLY 15 0.789 -12.485 -4.507 83 HA3 GLY 15 2HA GLY 15 1.708 -11.717 -5.794 84 HA PRO 16 HA PRO 16 0.727 -8.519 -2.578 85 HB2 PRO 16 1HB PRO 16 3.249 -7.521 -2.460 86 HB3 PRO 16 2HB PRO 16 2.712 -8.894 -1.484 87 HG2 PRO 16 1HG PRO 16 4.273 -8.881 -4.038 88 HG3 PRO 16 2HG PRO 16 4.522 -9.859 -2.579 89 HD2 PRO 16 1HD PRO 16 3.293 -10.826 -4.789 90 HD3 PRO 16 2HD PRO 16 2.867 -11.358 -3.150 91 H VAL 17 H VAL 17 -0.170 -6.720 -3.344 92 HA VAL 17 HA VAL 17 0.613 -5.665 -5.927 93 HB VAL 17 HB VAL 17 -1.525 -4.702 -4.021 94 HG11 VAL 17 1HG1 VAL 17 -1.768 -2.955 -5.367 95 HG12 VAL 17 2HG1 VAL 17 -0.416 -3.515 -6.353 96 HG13 VAL 17 3HG1 VAL 17 -2.058 -4.040 -6.726 97 HG21 VAL 17 1HG2 VAL 17 -1.441 -6.844 -6.043 98 HG22 VAL 17 2HG2 VAL 17 -2.469 -6.663 -4.621 99 HG23 VAL 17 3HG2 VAL 17 -2.853 -5.789 -6.104 100 H PHE 18 H PHE 18 1.664 -3.786 -6.314 101 HA PHE 18 HA PHE 18 2.600 -2.280 -3.962 102 HB2 PHE 18 1HB PHE 18 3.942 -2.743 -6.631 103 HB3 PHE 18 2HB PHE 18 4.544 -1.629 -5.408 104 HD1 PHE 18 1HD PHE 18 5.535 -2.447 -3.358 105 HD2 PHE 18 2HD PHE 18 4.097 -5.131 -6.332 106 HE1 PHE 18 1HE PHE 18 6.760 -4.290 -2.282 107 HE2 PHE 18 2HE PHE 18 5.320 -6.978 -5.261 108 HZ PHE 18 HZ PHE 18 6.653 -6.559 -3.233 109 H ALA 19 H ALA 19 1.979 -0.232 -3.791 110 HA ALA 19 HA ALA 19 1.023 1.151 -6.214 111 HB1 ALA 19 1HB ALA 19 -0.219 2.356 -4.018 112 HB2 ALA 19 2HB ALA 19 -0.964 1.321 -5.238 113 HB3 ALA 19 3HB ALA 19 -0.347 0.618 -3.743 114 H LYS 20 H LYS 20 2.217 2.850 -6.732 115 HA LYS 20 HA LYS 20 4.157 3.930 -4.907 116 HB2 LYS 20 1HB LYS 20 4.841 3.795 -7.174 117 HB3 LYS 20 2HB LYS 20 3.376 4.585 -7.742 118 HG2 LYS 20 1HG LYS 20 4.105 6.686 -7.107 119 HG3 LYS 20 2HG LYS 20 5.272 6.042 -5.950 120 HD2 LYS 20 1HD LYS 20 6.563 5.122 -7.879 121 HD3 LYS 20 2HD LYS 20 5.454 5.968 -8.960 122 HE2 LYS 20 1HE LYS 20 6.893 7.444 -6.788 123 HE3 LYS 20 2HE LYS 20 7.699 7.088 -8.315 124 HZ1 LYS 20 1HZ LYS 20 5.494 8.112 -9.269 125 HZ2 LYS 20 2HZ LYS 20 6.788 9.096 -8.803 126 HZ3 LYS 20 3HZ LYS 20 5.464 8.894 -7.770 127 H ALA 21 H ALA 21 4.180 5.922 -3.933 128 HA ALA 21 HA ALA 21 1.599 7.170 -3.543 129 HB1 ALA 21 1HB ALA 21 4.293 7.486 -2.274 130 HB2 ALA 21 2HB ALA 21 3.008 8.659 -1.981 131 HB3 ALA 21 3HB ALA 21 2.772 6.967 -1.547 132 H ILE 22 H ILE 22 0.902 8.604 -4.985 133 HA ILE 22 HA ILE 22 2.790 10.212 -6.505 134 HB ILE 22 HB ILE 22 0.744 11.036 -7.688 135 HG12 ILE 22 1HG1 ILE 22 -0.695 8.863 -6.162 136 HG13 ILE 22 2HG1 ILE 22 -0.774 10.563 -5.709 137 HG21 ILE 22 1HG2 ILE 22 1.515 8.154 -7.578 138 HG22 ILE 22 2HG2 ILE 22 0.197 8.667 -8.630 139 HG23 ILE 22 3HG2 ILE 22 1.809 9.349 -8.842 140 HD11 ILE 22 1HD1 ILE 22 -2.645 10.427 -6.977 141 HD12 ILE 22 2HD1 ILE 22 -1.482 10.814 -8.246 142 HD13 ILE 22 3HD1 ILE 22 -1.996 9.146 -8.000 143 H GLN 23 H GLN 23 0.406 10.577 -3.968 144 HA GLN 23 HA GLN 23 1.025 13.455 -3.848 145 HB2 GLN 23 1HB GLN 23 -1.451 11.923 -3.079 146 HB3 GLN 23 2HB GLN 23 -1.143 13.549 -2.484 147 HG2 GLN 23 1HG GLN 23 -1.168 12.882 -5.409 148 HG3 GLN 23 2HG GLN 23 -2.622 13.337 -4.523 149 HE21 GLN 23 1HE2 GLN 23 -2.515 15.417 -3.352 150 HE22 GLN 23 2HE2 GLN 23 -1.655 16.720 -4.091 151 H LYS 24 H LYS 24 1.742 14.336 -1.963 152 HA LYS 24 HA LYS 24 3.014 12.655 -0.088 153 HB2 LYS 24 1HB LYS 24 3.611 15.058 -0.708 154 HB3 LYS 24 2HB LYS 24 2.315 15.552 0.374 155 HG2 LYS 24 1HG LYS 24 3.437 14.822 2.262 156 HG3 LYS 24 2HG LYS 24 4.477 13.730 1.344 157 HD2 LYS 24 1HD LYS 24 5.781 15.514 0.513 158 HD3 LYS 24 2HD LYS 24 4.597 16.719 1.025 159 HE2 LYS 24 1HE LYS 24 5.836 14.964 3.087 160 HE3 LYS 24 2HE LYS 24 6.799 16.276 2.409 161 HZ1 LYS 24 1HZ LYS 24 4.137 16.584 3.690 162 HZ2 LYS 24 2HZ LYS 24 5.086 17.837 3.066 163 HZ3 LYS 24 3HZ LYS 24 5.620 16.960 4.411 164 H ARG 25 H ARG 25 2.164 11.563 1.546 165 HA ARG 25 HA ARG 25 -0.470 12.352 2.566 166 HB2 ARG 25 1HB ARG 25 -0.341 10.062 1.807 167 HB3 ARG 25 2HB ARG 25 1.078 9.769 2.803 168 HG2 ARG 25 1HG ARG 25 -0.821 8.776 3.860 169 HG3 ARG 25 2HG ARG 25 -0.315 10.171 4.815 170 HD2 ARG 25 1HD ARG 25 -2.100 11.497 3.973 171 HD3 ARG 25 2HD ARG 25 -2.498 10.294 2.747 172 HE ARG 25 HE ARG 25 -2.797 8.993 5.137 173 HH11 ARG 25 2HH1 ARG 25 -4.123 11.867 3.688 174 HH12 ARG 25 1HH1 ARG 25 -5.637 11.747 4.522 175 HH21 ARG 25 2HH2 ARG 25 -4.785 8.824 6.242 176 HH22 ARG 25 1HH2 ARG 25 -6.012 10.016 5.976 177 H VAL 26 H VAL 26 -0.530 13.501 4.371 178 HA VAL 26 HA VAL 26 1.588 13.083 6.380 179 HB VAL 26 HB VAL 26 0.101 15.643 5.773 180 HG11 VAL 26 1HG1 VAL 26 0.546 16.156 7.898 181 HG12 VAL 26 2HG1 VAL 26 1.598 14.753 8.101 182 HG13 VAL 26 3HG1 VAL 26 2.238 16.244 7.408 183 HG21 VAL 26 1HG2 VAL 26 1.660 15.674 4.128 184 HG22 VAL 26 2HG2 VAL 26 2.683 16.262 5.438 185 HG23 VAL 26 3HG2 VAL 26 2.736 14.562 4.974 186 HA PRO 27 HA PRO 27 -2.248 11.790 8.483 187 HB2 PRO 27 1HB PRO 27 -0.976 10.133 10.218 188 HB3 PRO 27 2HB PRO 27 -1.415 9.650 8.575 189 HG2 PRO 27 1HG PRO 27 1.225 10.583 9.635 190 HG3 PRO 27 2HG PRO 27 0.875 9.251 8.518 191 HD2 PRO 27 1HD PRO 27 1.768 11.664 7.673 192 HD3 PRO 27 2HD PRO 27 0.672 10.659 6.704 193 H CYS 28 H CYS 28 -3.130 12.693 10.259 194 HA CYS 28 HA CYS 28 -1.840 14.753 11.643 195 HB2 CYS 28 1HB CYS 28 -4.386 13.232 12.052 196 HB3 CYS 28 2HB CYS 28 -3.829 14.326 13.313 197 HG CYS 28 HG CYS 28 -5.022 16.337 12.271 198 H ALA 29 H ALA 29 -0.988 14.910 13.711 199 HA ALA 29 HA ALA 29 0.635 12.895 14.638 200 HB1 ALA 29 1HB ALA 29 0.302 14.216 16.919 201 HB2 ALA 29 2HB ALA 29 1.219 14.884 15.569 202 HB3 ALA 29 3HB ALA 29 -0.453 15.381 15.830 203 H TYR 30 H TYR 30 -2.606 13.750 15.833 204 HA TYR 30 HA TYR 30 -2.749 11.770 17.821 205 HB2 TYR 30 1HB TYR 30 -5.082 12.917 16.281 206 HB3 TYR 30 2HB TYR 30 -5.109 12.229 17.901 207 HD1 TYR 30 1HD TYR 30 -4.218 15.156 15.889 208 HD2 TYR 30 2HD TYR 30 -4.287 13.495 19.806 209 HE1 TYR 30 1HE TYR 30 -3.830 17.391 16.838 210 HE2 TYR 30 2HE TYR 30 -3.899 15.726 20.765 211 HH TYR 30 HH TYR 30 -3.797 18.611 18.725 212 H ASP 31 H ASP 31 -3.755 11.762 14.427 213 HA ASP 31 HA ASP 31 -4.942 9.194 14.461 214 HB2 ASP 31 1HB ASP 31 -5.028 11.150 12.683 215 HB3 ASP 31 2HB ASP 31 -3.679 10.267 11.974 216 H LYS 32 H LYS 32 -3.688 7.607 15.321 217 HA LYS 32 HA LYS 32 -0.935 7.271 14.493 218 HB2 LYS 32 1HB LYS 32 -2.735 5.754 16.376 219 HB3 LYS 32 2HB LYS 32 -1.114 5.200 15.975 220 HG2 LYS 32 1HG LYS 32 -0.424 7.609 16.709 221 HG3 LYS 32 2HG LYS 32 -1.970 7.573 17.560 222 HD2 LYS 32 1HD LYS 32 -1.318 5.766 18.901 223 HD3 LYS 32 2HD LYS 32 0.022 5.342 17.833 224 HE2 LYS 32 1HE LYS 32 0.024 8.024 19.125 225 HE3 LYS 32 2HE LYS 32 0.417 6.617 20.112 226 HZ1 LYS 32 1HZ LYS 32 2.441 7.419 19.260 227 HZ2 LYS 32 2HZ LYS 32 1.824 7.589 17.694 228 HZ3 LYS 32 3HZ LYS 32 2.083 6.046 18.338 229 H THR 33 H THR 33 -4.059 5.845 13.835 230 HA THR 33 HA THR 33 -3.132 3.505 12.533 231 HB THR 33 HB THR 33 -5.430 3.459 11.503 232 HG1 THR 33 1HG THR 33 -6.894 5.057 12.462 233 HG21 THR 33 1HG2 THR 33 -4.945 3.648 14.448 234 HG22 THR 33 2HG2 THR 33 -5.325 2.235 13.462 235 HG23 THR 33 3HG2 THR 33 -6.585 3.407 13.847 236 H ALA 34 H ALA 34 -3.643 6.797 11.488 237 HA ALA 34 HA ALA 34 -3.708 6.385 8.710 238 HB1 ALA 34 1HB ALA 34 -4.263 8.507 9.970 239 HB2 ALA 34 2HB ALA 34 -2.525 8.803 10.050 240 HB3 ALA 34 3HB ALA 34 -3.332 8.704 8.485 241 H LEU 35 H LEU 35 -2.186 5.862 7.277 242 HA LEU 35 HA LEU 35 0.511 5.366 8.201 243 HB2 LEU 35 1HB LEU 35 -1.007 3.995 6.531 244 HB3 LEU 35 2HB LEU 35 -0.280 5.078 5.346 245 HG LEU 35 HG LEU 35 1.263 3.257 7.192 246 HD11 LEU 35 1HD1 LEU 35 -0.207 2.606 4.891 247 HD12 LEU 35 2HD1 LEU 35 0.970 1.607 5.743 248 HD13 LEU 35 3HD1 LEU 35 1.488 2.633 4.406 249 HD21 LEU 35 1HD2 LEU 35 2.069 5.085 4.941 250 HD22 LEU 35 2HD2 LEU 35 3.103 3.794 5.554 251 HD23 LEU 35 3HD2 LEU 35 2.617 5.115 6.618 252 H ALA 36 H ALA 36 2.270 6.567 7.792 253 HA ALA 36 HA ALA 36 1.887 9.081 6.348 254 HB1 ALA 36 1HB ALA 36 4.424 9.163 7.400 255 HB2 ALA 36 2HB ALA 36 2.971 9.823 8.153 256 HB3 ALA 36 3HB ALA 36 3.533 8.209 8.586 257 H LEU 37 H LEU 37 2.851 9.541 4.458 258 HA LEU 37 HA LEU 37 5.056 7.869 3.516 259 HB2 LEU 37 1HB LEU 37 2.603 8.424 1.857 260 HB3 LEU 37 2HB LEU 37 4.024 7.508 1.359 261 HG LEU 37 HG LEU 37 2.336 6.603 3.667 262 HD11 LEU 37 1HD1 LEU 37 0.777 6.882 1.850 263 HD12 LEU 37 2HD1 LEU 37 1.114 5.165 2.073 264 HD13 LEU 37 3HD1 LEU 37 1.864 6.045 0.742 265 HD21 LEU 37 1HD2 LEU 37 3.189 4.376 2.697 266 HD22 LEU 37 2HD2 LEU 37 4.325 5.397 3.579 267 HD23 LEU 37 3HD2 LEU 37 4.346 5.373 1.814 268 H GLU 38 H GLU 38 6.038 8.777 1.490 269 HA GLU 38 HA GLU 38 5.717 11.699 1.351 270 HB2 GLU 38 1HB GLU 38 8.062 12.047 1.323 271 HB3 GLU 38 2HB GLU 38 7.745 10.969 2.675 272 HG2 GLU 38 1HG GLU 38 8.266 9.091 0.964 273 HG3 GLU 38 2HG GLU 38 9.047 10.384 0.056 274 H VAL 39 H VAL 39 5.531 12.505 -0.646 275 HA VAL 39 HA VAL 39 4.898 11.175 -2.876 276 HB VAL 39 HB VAL 39 6.630 13.649 -2.812 277 HG11 VAL 39 1HG1 VAL 39 5.551 12.079 -5.022 278 HG12 VAL 39 2HG1 VAL 39 5.103 13.785 -5.084 279 HG13 VAL 39 3HG1 VAL 39 6.804 13.320 -5.017 280 HG21 VAL 39 1HG2 VAL 39 4.746 14.900 -2.567 281 HG22 VAL 39 2HG2 VAL 39 3.725 13.729 -3.401 282 HG23 VAL 39 3HG2 VAL 39 4.206 13.445 -1.729 283 H GLY 40 H GLY 40 5.834 9.421 -3.716 284 HA2 GLY 40 1HA GLY 40 7.512 8.629 -5.263 285 HA3 GLY 40 2HA GLY 40 8.696 9.602 -4.402 286 H ASP 41 H ASP 41 6.271 7.480 -2.964 287 HA ASP 41 HA ASP 41 8.435 5.679 -2.107 288 HB2 ASP 41 1HB ASP 41 7.449 7.371 -0.353 289 HB3 ASP 41 2HB ASP 41 6.115 6.222 -0.295 290 H ILE 42 H ILE 42 7.873 3.502 -1.816 291 HA ILE 42 HA ILE 42 5.486 2.704 -3.306 292 HB ILE 42 HB ILE 42 7.851 1.053 -2.409 293 HG12 ILE 42 1HG1 ILE 42 8.268 2.799 -4.188 294 HG13 ILE 42 2HG1 ILE 42 8.609 1.141 -4.674 295 HG21 ILE 42 1HG2 ILE 42 6.631 -0.742 -2.862 296 HG22 ILE 42 2HG2 ILE 42 5.252 0.277 -3.273 297 HG23 ILE 42 3HG2 ILE 42 6.419 -0.170 -4.517 298 HD11 ILE 42 1HD1 ILE 42 5.916 2.240 -5.255 299 HD12 ILE 42 2HD1 ILE 42 7.280 2.797 -6.225 300 HD13 ILE 42 3HD1 ILE 42 6.889 1.079 -6.159 301 H VAL 43 H VAL 43 3.716 2.119 -2.254 302 HA VAL 43 HA VAL 43 3.899 1.380 0.570 303 HB VAL 43 HB VAL 43 1.420 1.924 -1.066 304 HG11 VAL 43 1HG1 VAL 43 0.613 0.802 0.753 305 HG12 VAL 43 2HG1 VAL 43 1.945 1.307 1.796 306 HG13 VAL 43 3HG1 VAL 43 0.650 2.440 1.405 307 HG21 VAL 43 1HG2 VAL 43 3.307 3.777 -0.526 308 HG22 VAL 43 2HG2 VAL 43 1.585 4.136 -0.653 309 HG23 VAL 43 3HG2 VAL 43 2.320 3.892 0.931 310 H LYS 44 H LYS 44 4.471 -0.744 0.646 311 HA LYS 44 HA LYS 44 3.308 -2.713 -1.089 312 HB2 LYS 44 1HB LYS 44 5.575 -3.023 -0.291 313 HB3 LYS 44 2HB LYS 44 5.030 -2.976 1.381 314 HG2 LYS 44 1HG LYS 44 3.547 -5.011 0.573 315 HG3 LYS 44 2HG LYS 44 4.839 -5.155 -0.620 316 HD2 LYS 44 1HD LYS 44 6.469 -5.520 1.017 317 HD3 LYS 44 2HD LYS 44 5.447 -4.877 2.305 318 HE2 LYS 44 1HE LYS 44 3.964 -6.807 2.093 319 HE3 LYS 44 2HE LYS 44 4.969 -7.444 0.792 320 HZ1 LYS 44 1HZ LYS 44 6.630 -6.931 2.971 321 HZ2 LYS 44 2HZ LYS 44 6.214 -8.432 2.310 322 HZ3 LYS 44 3HZ LYS 44 5.286 -7.773 3.561 323 H VAL 45 H VAL 45 1.231 -3.238 -0.861 324 HA VAL 45 HA VAL 45 0.135 -3.513 1.857 325 HB VAL 45 HB VAL 45 -1.213 -1.965 0.735 326 HG11 VAL 45 1HG1 VAL 45 -0.679 -1.887 -1.472 327 HG12 VAL 45 2HG1 VAL 45 -0.649 -3.643 -1.642 328 HG13 VAL 45 3HG1 VAL 45 -2.190 -2.785 -1.601 329 HG21 VAL 45 1HG2 VAL 45 -3.168 -2.938 1.190 330 HG22 VAL 45 2HG2 VAL 45 -2.978 -4.106 -0.117 331 HG23 VAL 45 3HG2 VAL 45 -2.257 -4.423 1.461 332 H THR 46 H THR 46 -0.648 -5.422 2.553 333 HA THR 46 HA THR 46 -0.400 -7.711 0.727 334 HB THR 46 HB THR 46 -0.444 -9.085 2.839 335 HG1 THR 46 1HG THR 46 0.224 -6.774 4.279 336 HG21 THR 46 1HG2 THR 46 1.846 -8.836 3.229 337 HG22 THR 46 2HG2 THR 46 1.801 -7.096 2.946 338 HG23 THR 46 3HG2 THR 46 1.641 -8.214 1.592 339 H ARG 47 H ARG 47 -2.598 -6.107 2.958 340 HA ARG 47 HA ARG 47 -4.774 -7.797 1.916 341 HB2 ARG 47 1HB ARG 47 -4.217 -6.897 4.724 342 HB3 ARG 47 2HB ARG 47 -5.864 -7.241 4.213 343 HG2 ARG 47 1HG ARG 47 -5.241 -9.261 5.087 344 HG3 ARG 47 2HG ARG 47 -4.828 -9.491 3.387 345 HD2 ARG 47 1HD ARG 47 -2.515 -8.486 4.204 346 HD3 ARG 47 2HD ARG 47 -3.061 -9.138 5.749 347 HE ARG 47 HE ARG 47 -3.233 -10.996 3.555 348 HH11 ARG 47 2HH1 ARG 47 -1.219 -9.702 6.083 349 HH12 ARG 47 1HH1 ARG 47 -0.193 -11.096 6.158 350 HH21 ARG 47 2HH2 ARG 47 -1.889 -12.837 3.644 351 HH22 ARG 47 1HH2 ARG 47 -0.574 -12.878 4.769 352 H MET 48 H MET 48 -6.484 -6.753 1.086 353 HA MET 48 HA MET 48 -6.639 -3.839 1.499 354 HB2 MET 48 1HB MET 48 -7.422 -5.390 -0.975 355 HB3 MET 48 2HB MET 48 -7.534 -3.647 -0.769 356 HG2 MET 48 1HG MET 48 -5.174 -3.416 -0.713 357 HG3 MET 48 2HG MET 48 -4.945 -5.159 -0.600 358 HE1 MET 48 1HE MET 48 -3.603 -3.188 -3.544 359 HE2 MET 48 2HE MET 48 -5.134 -2.428 -3.980 360 HE3 MET 48 3HE MET 48 -4.548 -2.343 -2.318 361 H ASN 49 H ASN 49 -8.219 -3.624 2.985 362 HA ASN 49 HA ASN 49 -10.434 -5.286 3.322 363 HB2 ASN 49 1HB ASN 49 -10.200 -2.347 4.008 364 HB3 ASN 49 2HB ASN 49 -11.382 -3.470 4.675 365 HD21 ASN 49 1HD2 ASN 49 -9.303 -1.859 5.980 366 HD22 ASN 49 2HD2 ASN 49 -8.337 -2.980 6.871 367 H ILE 50 H ILE 50 -12.609 -5.091 2.731 368 HA ILE 50 HA ILE 50 -13.041 -4.059 0.094 369 HB ILE 50 HB ILE 50 -15.396 -4.834 0.447 370 HG12 ILE 50 1HG1 ILE 50 -14.405 -6.071 3.005 371 HG13 ILE 50 2HG1 ILE 50 -15.181 -4.492 2.998 372 HG21 ILE 50 1HG2 ILE 50 -13.151 -6.773 0.973 373 HG22 ILE 50 2HG2 ILE 50 -14.793 -7.250 0.544 374 HG23 ILE 50 3HG2 ILE 50 -13.823 -6.311 -0.590 375 HD11 ILE 50 1HD1 ILE 50 -17.210 -5.379 2.791 376 HD12 ILE 50 2HD1 ILE 50 -16.686 -6.512 1.546 377 HD13 ILE 50 3HD1 ILE 50 -16.446 -6.901 3.249 378 H ASN 51 H ASN 51 -13.223 -2.712 3.177 379 HA ASN 51 HA ASN 51 -15.421 -0.936 2.773 380 HB2 ASN 51 1HB ASN 51 -14.967 -0.125 4.884 381 HB3 ASN 51 2HB ASN 51 -14.216 -1.715 4.988 382 HD21 ASN 51 1HD2 ASN 51 -13.782 1.542 5.459 383 HD22 ASN 51 2HD2 ASN 51 -12.058 1.574 5.564 384 H GLY 52 H GLY 52 -12.044 -0.890 1.973 385 HA2 GLY 52 1HA GLY 52 -11.734 0.742 0.020 386 HA3 GLY 52 2HA GLY 52 -12.244 1.946 1.194 387 H GLN 53 H GLN 53 -10.914 1.324 3.439 388 HA GLN 53 HA GLN 53 -8.269 2.196 2.848 389 HB2 GLN 53 1HB GLN 53 -9.667 1.378 5.384 390 HB3 GLN 53 2HB GLN 53 -7.958 1.791 5.367 391 HG2 GLN 53 1HG GLN 53 -9.457 3.653 6.030 392 HG3 GLN 53 2HG GLN 53 -8.421 4.011 4.650 393 HE21 GLN 53 1HE2 GLN 53 -11.585 3.901 5.827 394 HE22 GLN 53 2HE2 GLN 53 -12.411 4.245 4.349 395 H TRP 54 H TRP 54 -6.458 1.061 2.560 396 HA TRP 54 HA TRP 54 -6.595 -1.851 2.932 397 HB2 TRP 54 1HB TRP 54 -4.518 -0.387 1.312 398 HB3 TRP 54 2HB TRP 54 -4.981 -2.083 1.218 399 HD1 TRP 54 HD TRP 54 -8.187 -1.488 1.058 400 HE1 TRP 54 1HE TRP 54 -9.140 -0.634 -1.175 401 HE3 TRP 54 3HE TRP 54 -3.883 0.326 -1.020 402 HZ2 TRP 54 2HZ TRP 54 -8.192 0.639 -3.509 403 HZ3 TRP 54 3HZ TRP 54 -3.992 1.346 -3.257 404 HH2 TRP 54 HH TRP 54 -6.102 1.498 -4.474 405 H GLU 55 H GLU 55 -4.586 -2.940 3.610 406 HA GLU 55 HA GLU 55 -3.172 -1.324 5.623 407 HB2 GLU 55 1HB GLU 55 -4.615 -3.376 6.275 408 HB3 GLU 55 2HB GLU 55 -3.282 -4.326 5.633 409 HG2 GLU 55 1HG GLU 55 -1.773 -3.079 7.205 410 HG3 GLU 55 2HG GLU 55 -3.226 -2.406 7.943 411 H GLY 56 H GLY 56 -1.184 -0.762 5.046 412 HA2 GLY 56 1HA GLY 56 0.490 -2.764 3.679 413 HA3 GLY 56 2HA GLY 56 0.391 -1.127 3.047 414 H GLU 57 H GLU 57 2.823 -2.189 3.716 415 HA GLU 57 HA GLU 57 3.499 -0.728 6.185 416 HB2 GLU 57 1HB GLU 57 3.795 -3.157 6.444 417 HB3 GLU 57 2HB GLU 57 4.867 -3.174 5.051 418 HG2 GLU 57 1HG GLU 57 5.539 -1.368 7.307 419 HG3 GLU 57 2HG GLU 57 5.786 -3.100 7.520 420 H VAL 58 H VAL 58 4.847 0.928 5.954 421 HA VAL 58 HA VAL 58 6.680 0.973 3.659 422 HB VAL 58 HB VAL 58 4.954 3.300 4.519 423 HG11 VAL 58 1HG1 VAL 58 7.161 4.034 3.821 424 HG12 VAL 58 2HG1 VAL 58 7.026 3.092 2.335 425 HG13 VAL 58 3HG1 VAL 58 5.959 4.470 2.607 426 HG21 VAL 58 1HG2 VAL 58 4.403 2.909 1.906 427 HG22 VAL 58 2HG2 VAL 58 4.696 1.248 2.420 428 HG23 VAL 58 3HG2 VAL 58 3.458 2.214 3.223 429 H ASN 59 H ASN 59 8.696 1.526 4.189 430 HA ASN 59 HA ASN 59 10.495 2.019 5.504 431 HB2 ASN 59 1HB ASN 59 8.640 4.335 5.744 432 HB3 ASN 59 2HB ASN 59 10.017 4.285 6.840 433 HD21 ASN 59 1HD2 ASN 59 9.172 5.850 4.321 434 HD22 ASN 59 2HD2 ASN 59 10.616 5.865 3.372 435 H GLY 60 H GLY 60 8.318 0.350 6.685 436 HA2 GLY 60 1HA GLY 60 8.346 -0.845 8.698 437 HA3 GLY 60 2HA GLY 60 9.322 0.429 9.414 438 H ARG 61 H ARG 61 6.467 1.328 7.695 439 HA ARG 61 HA ARG 61 5.085 1.778 10.259 440 HB2 ARG 61 1HB ARG 61 5.433 3.566 7.882 441 HB3 ARG 61 2HB ARG 61 3.995 3.724 8.881 442 HG2 ARG 61 1HG ARG 61 5.332 5.236 9.916 443 HG3 ARG 61 2HG ARG 61 5.791 3.791 10.820 444 HD2 ARG 61 1HD ARG 61 7.281 4.449 8.329 445 HD3 ARG 61 2HD ARG 61 7.603 5.401 9.778 446 HE ARG 61 HE ARG 61 8.406 2.703 9.278 447 HH11 ARG 61 2HH1 ARG 61 7.548 4.977 11.770 448 HH12 ARG 61 1HH1 ARG 61 8.451 4.163 13.005 449 HH21 ARG 61 2HH2 ARG 61 9.598 1.622 10.895 450 HH22 ARG 61 1HH2 ARG 61 9.617 2.256 12.505 451 H LYS 62 H LYS 62 3.159 0.847 10.446 452 HA LYS 62 HA LYS 62 1.811 -0.074 7.993 453 HB2 LYS 62 1HB LYS 62 1.615 -1.227 10.781 454 HB3 LYS 62 2HB LYS 62 0.819 -1.854 9.344 455 HG2 LYS 62 1HG LYS 62 3.153 -2.140 8.372 456 HG3 LYS 62 2HG LYS 62 3.742 -1.868 10.014 457 HD2 LYS 62 1HD LYS 62 2.358 -3.749 10.796 458 HD3 LYS 62 2HD LYS 62 1.832 -4.035 9.136 459 HE2 LYS 62 1HE LYS 62 4.074 -4.564 8.459 460 HE3 LYS 62 2HE LYS 62 4.708 -4.096 10.036 461 HZ1 LYS 62 1HZ LYS 62 3.243 -6.513 9.264 462 HZ2 LYS 62 2HZ LYS 62 3.048 -5.931 10.839 463 HZ3 LYS 62 3HZ LYS 62 4.588 -6.346 10.276 464 H GLY 63 H GLY 63 0.211 1.289 7.503 465 HA2 GLY 63 1HA GLY 63 -1.848 1.788 9.495 466 HA3 GLY 63 2HA GLY 63 -1.025 3.214 8.882 467 H LEU 64 H LEU 64 -3.671 3.120 8.522 468 HA LEU 64 HA LEU 64 -4.299 1.970 5.938 469 HB2 LEU 64 1HB LEU 64 -5.968 3.759 7.697 470 HB3 LEU 64 2HB LEU 64 -6.533 2.830 6.310 471 HG LEU 64 HG LEU 64 -5.457 1.623 8.857 472 HD11 LEU 64 1HD1 LEU 64 -8.180 1.037 8.518 473 HD12 LEU 64 2HD1 LEU 64 -8.014 2.776 8.279 474 HD13 LEU 64 3HD1 LEU 64 -7.434 2.032 9.769 475 HD21 LEU 64 1HD2 LEU 64 -5.808 -0.423 7.952 476 HD22 LEU 64 2HD2 LEU 64 -5.498 0.454 6.454 477 HD23 LEU 64 3HD2 LEU 64 -7.157 0.126 6.956 478 H PHE 65 H PHE 65 -3.964 2.971 4.076 479 HA PHE 65 HA PHE 65 -3.790 5.913 4.074 480 HB2 PHE 65 1HB PHE 65 -2.267 5.661 2.114 481 HB3 PHE 65 2HB PHE 65 -1.617 4.974 3.599 482 HD1 PHE 65 1HD PHE 65 -1.964 2.441 3.946 483 HD2 PHE 65 2HD PHE 65 -2.329 4.394 0.182 484 HE1 PHE 65 1HE PHE 65 -1.617 0.291 2.801 485 HE2 PHE 65 2HE PHE 65 -1.983 2.247 -0.969 486 HZ PHE 65 HZ PHE 65 -1.627 0.192 0.340 487 HA PRO 66 HA PRO 66 -7.184 5.941 1.271 488 HB2 PRO 66 1HB PRO 66 -6.766 8.364 0.119 489 HB3 PRO 66 2HB PRO 66 -7.378 8.176 1.767 490 HG2 PRO 66 1HG PRO 66 -4.593 8.759 0.836 491 HG3 PRO 66 2HG PRO 66 -5.498 9.481 2.179 492 HD2 PRO 66 1HD PRO 66 -3.637 7.549 2.548 493 HD3 PRO 66 2HD PRO 66 -5.067 7.708 3.588 494 H PHE 67 H PHE 67 -7.387 4.886 -0.592 495 HA PHE 67 HA PHE 67 -5.256 4.319 -2.323 496 HB2 PHE 67 1HB PHE 67 -7.082 3.537 -3.895 497 HB3 PHE 67 2HB PHE 67 -7.106 2.819 -2.287 498 HD1 PHE 67 2HD PHE 67 -8.797 5.092 -4.595 499 HD2 PHE 67 1HD PHE 67 -8.870 3.329 -0.721 500 HE1 PHE 67 2HE PHE 67 -11.138 5.799 -4.320 501 HE2 PHE 67 1HE PHE 67 -11.211 4.033 -0.440 502 HZ PHE 67 HZ PHE 67 -12.347 5.271 -2.241 503 H THR 68 H THR 68 -7.576 6.917 -2.277 504 HA THR 68 HA THR 68 -7.273 7.817 -4.930 505 HB THR 68 HB THR 68 -8.056 10.042 -4.002 506 HG1 THR 68 1HG THR 68 -7.177 9.234 -1.783 507 HG21 THR 68 1HG2 THR 68 -9.458 7.847 -4.642 508 HG22 THR 68 2HG2 THR 68 -10.216 9.338 -4.082 509 HG23 THR 68 3HG2 THR 68 -9.939 8.011 -2.954 510 H HIS 69 H HIS 69 -5.184 7.970 -2.228 511 HA HIS 69 HA HIS 69 -3.698 10.270 -3.173 512 HB2 HIS 69 1HB HIS 69 -3.510 8.438 -0.815 513 HB3 HIS 69 2HB HIS 69 -2.105 9.399 -1.266 514 HD1 HIS 69 1HD HIS 69 -5.787 10.355 -1.104 515 HD2 HIS 69 2HD HIS 69 -2.104 11.486 0.450 516 HE1 HIS 69 1HE HIS 69 -6.243 12.402 0.284 517 HE2 HIS 69 2HE HIS 69 -3.986 13.118 1.145 518 H VAL 70 H VAL 70 -3.359 6.763 -3.091 519 HA VAL 70 HA VAL 70 -0.806 6.952 -4.517 520 HB VAL 70 HB VAL 70 -0.577 4.553 -4.108 521 HG11 VAL 70 1HG1 VAL 70 0.017 4.724 -1.885 522 HG12 VAL 70 2HG1 VAL 70 -0.063 6.421 -2.363 523 HG13 VAL 70 3HG1 VAL 70 -1.398 5.691 -1.471 524 HG21 VAL 70 1HG2 VAL 70 -3.372 4.853 -3.097 525 HG22 VAL 70 2HG2 VAL 70 -2.685 3.611 -4.144 526 HG23 VAL 70 3HG2 VAL 70 -2.325 3.607 -2.418 527 H LYS 71 H LYS 71 -0.490 5.249 -6.262 528 HA LYS 71 HA LYS 71 -2.936 4.860 -7.843 529 HB2 LYS 71 1HB LYS 71 -1.813 6.830 -8.740 530 HB3 LYS 71 2HB LYS 71 -0.305 5.934 -8.876 531 HG2 LYS 71 1HG LYS 71 -1.521 4.382 -10.457 532 HG3 LYS 71 2HG LYS 71 -2.827 5.568 -10.465 533 HD2 LYS 71 1HD LYS 71 -0.055 6.513 -10.995 534 HD3 LYS 71 2HD LYS 71 -0.895 5.626 -12.268 535 HE2 LYS 71 1HE LYS 71 -1.374 7.891 -12.673 536 HE3 LYS 71 2HE LYS 71 -2.823 7.242 -11.908 537 HZ1 LYS 71 1HZ LYS 71 -2.309 8.290 -9.898 538 HZ2 LYS 71 2HZ LYS 71 -1.978 9.460 -11.073 539 HZ3 LYS 71 3HZ LYS 71 -0.710 8.606 -10.350 540 H ILE 72 H ILE 72 -3.135 2.882 -8.702 541 HA ILE 72 HA ILE 72 -1.266 0.845 -8.038 542 HB ILE 72 HB ILE 72 -3.597 0.719 -9.955 543 HG12 ILE 72 1HG1 ILE 72 -4.095 1.397 -7.559 544 HG13 ILE 72 2HG1 ILE 72 -4.926 -0.043 -8.136 545 HG21 ILE 72 1HG2 ILE 72 -2.533 -1.212 -10.481 546 HG22 ILE 72 2HG2 ILE 72 -1.673 -1.286 -8.945 547 HG23 ILE 72 3HG2 ILE 72 -3.365 -1.776 -9.032 548 HD11 ILE 72 1HD1 ILE 72 -4.101 -0.322 -5.864 549 HD12 ILE 72 2HD1 ILE 72 -3.318 -1.447 -6.974 550 HD13 ILE 72 3HD1 ILE 72 -2.456 -0.013 -6.418 551 H PHE 73 H PHE 73 0.295 -0.117 -9.220 552 HA PHE 73 HA PHE 73 0.505 0.422 -12.074 553 HB2 PHE 73 1HB PHE 73 2.626 1.412 -12.025 554 HB3 PHE 73 2HB PHE 73 1.782 2.199 -10.696 555 HD1 PHE 73 1HD PHE 73 2.369 1.723 -8.393 556 HD2 PHE 73 2HD PHE 73 4.436 -0.126 -11.622 557 HE1 PHE 73 1HE PHE 73 4.160 1.040 -6.851 558 HE2 PHE 73 2HE PHE 73 6.230 -0.812 -10.085 559 HZ PHE 73 HZ PHE 73 6.093 -0.231 -7.696 560 H ASP 74 H ASP 74 2.068 -0.956 -13.152 561 HA ASP 74 HA ASP 74 2.025 -3.613 -12.110 562 HB2 ASP 74 1HB ASP 74 3.006 -2.307 -14.604 563 HB3 ASP 74 2HB ASP 74 3.644 -3.899 -14.201 564 HA PRO 75 HA PRO 75 5.788 -3.305 -9.770 565 HB2 PRO 75 1HB PRO 75 5.931 -5.929 -9.090 566 HB3 PRO 75 2HB PRO 75 4.816 -4.796 -8.317 567 HG2 PRO 75 1HG PRO 75 4.292 -6.780 -10.496 568 HG3 PRO 75 2HG PRO 75 3.308 -6.397 -9.071 569 HD2 PRO 75 1HD PRO 75 2.749 -5.417 -11.533 570 HD3 PRO 75 2HD PRO 75 2.406 -4.513 -10.044 571 H GLN 76 H GLN 76 5.379 -4.597 -12.779 572 HA GLN 76 HA GLN 76 6.784 -5.327 -14.412 573 HB2 GLN 76 1HB GLN 76 8.610 -3.913 -12.526 574 HB3 GLN 76 2HB GLN 76 9.331 -4.887 -13.801 575 HG2 GLN 76 1HG GLN 76 7.690 -3.553 -15.337 576 HG3 GLN 76 2HG GLN 76 7.705 -2.402 -14.001 577 HE21 GLN 76 1HE2 GLN 76 9.052 -3.033 -16.871 578 HE22 GLN 76 2HE2 GLN 76 10.600 -2.294 -16.662 579 H ASN 77 H ASN 77 5.900 -7.233 -12.545 580 HA ASN 77 HA ASN 77 7.877 -8.869 -11.455 581 HB2 ASN 77 1HB ASN 77 5.495 -9.125 -10.931 582 HB3 ASN 77 2HB ASN 77 5.182 -9.671 -12.576 583 HD21 ASN 77 1HD2 ASN 77 7.430 -10.429 -9.932 584 HD22 ASN 77 2HD2 ASN 77 7.262 -12.144 -10.057 585 HA PRO 78 HA PRO 78 9.821 -10.376 -15.158 586 HB2 PRO 78 1HB PRO 78 11.493 -12.121 -13.920 587 HB3 PRO 78 2HB PRO 78 11.771 -10.376 -13.942 588 HG2 PRO 78 1HG PRO 78 10.581 -12.076 -11.785 589 HG3 PRO 78 2HG PRO 78 11.755 -10.754 -11.648 590 HD2 PRO 78 1HD PRO 78 9.120 -10.424 -11.120 591 HD3 PRO 78 2HD PRO 78 10.128 -9.128 -11.793 592 H ASP 79 H ASP 79 7.989 -12.189 -12.880 593 HA ASP 79 HA ASP 79 8.116 -14.642 -14.450 594 HB2 ASP 79 1HB ASP 79 6.535 -14.055 -11.938 595 HB3 ASP 79 2HB ASP 79 6.791 -15.638 -12.667 596 H GLU 80 H GLU 80 6.004 -15.758 -14.923 597 HA GLU 80 HA GLU 80 3.657 -14.156 -15.258 598 HB2 GLU 80 1HB GLU 80 4.839 -13.244 -17.134 599 HB3 GLU 80 2HB GLU 80 5.331 -14.844 -17.674 600 HG2 GLU 80 1HG GLU 80 3.623 -14.444 -19.119 601 HG3 GLU 80 2HG GLU 80 2.739 -15.237 -17.817 602 H ASN 81 H ASN 81 1.956 -15.464 -15.123 603 HA ASN 81 HA ASN 81 2.266 -18.278 -14.974 604 HB2 ASN 81 1HB ASN 81 0.489 -16.720 -13.866 605 HB3 ASN 81 2HB ASN 81 -0.401 -16.958 -15.367 606 HD21 ASN 81 1HD2 ASN 81 -1.922 -18.409 -15.100 607 HD22 ASN 81 2HD2 ASN 81 -1.782 -19.884 -14.211 608 H GLU 82 H GLU 82 0.713 -16.163 -17.376 609 HA GLU 82 HA GLU 82 1.143 -18.248 -19.388 610 HB2 GLU 82 1HB GLU 82 -1.478 -16.832 -18.886 611 HB3 GLU 82 2HB GLU 82 -1.131 -17.776 -20.328 612 HG2 GLU 82 1HG GLU 82 -0.825 -19.769 -18.963 613 HG3 GLU 82 2HG GLU 82 -1.147 -18.828 -17.508 614 H SER 83 H SER 83 0.920 -17.416 -21.618 615 HA SER 83 HA SER 83 2.152 -14.796 -21.802 616 HB2 SER 83 1HB SER 83 1.519 -16.754 -24.021 617 HB3 SER 83 2HB SER 83 2.601 -15.365 -24.116 618 HG SER 83 HG SER 83 3.829 -16.444 -22.408 619 H GLY 84 H GLY 84 -0.685 -16.441 -23.196 620 HA2 GLY 84 1HA GLY 84 -2.750 -15.584 -23.767 621 HA3 GLY 84 2HA GLY 84 -2.270 -14.064 -23.029 622 HA PRO 85 HA PRO 85 -2.450 -13.715 -27.722 623 HB2 PRO 85 1HB PRO 85 -4.427 -11.857 -27.819 624 HB3 PRO 85 2HB PRO 85 -4.742 -13.596 -27.833 625 HG2 PRO 85 1HG PRO 85 -4.883 -11.664 -25.551 626 HG3 PRO 85 2HG PRO 85 -6.001 -12.971 -25.981 627 HD2 PRO 85 1HD PRO 85 -4.147 -13.225 -24.024 628 HD3 PRO 85 2HD PRO 85 -4.671 -14.593 -25.027 629 H SER 86 H SER 86 -2.463 -11.477 -28.923 630 HA SER 86 HA SER 86 -1.472 -9.245 -27.409 631 HB2 SER 86 1HB SER 86 0.557 -10.624 -27.501 632 HB3 SER 86 2HB SER 86 0.422 -10.717 -29.257 633 HG SER 86 HG SER 86 1.851 -9.029 -28.207 634 H SER 87 H SER 87 -0.966 -7.383 -28.804 635 HA SER 87 HA SER 87 -2.667 -7.432 -31.190 636 HB2 SER 87 1HB SER 87 -2.692 -4.982 -30.993 637 HB3 SER 87 2HB SER 87 -3.195 -5.741 -29.483 638 HG SER 87 HG SER 87 -1.485 -3.940 -29.553 639 H GLY 88 H GLY 88 -1.929 -5.879 -32.974 640 HA2 GLY 88 1HA GLY 88 0.900 -6.477 -33.537 641 HA3 GLY 88 2HA GLY 88 -0.340 -6.213 -34.753 Start of MODEL 18 1 H1 GLY 1 H GLY 1 2.701 -32.772 25.146 2 HA2 GLY 1 1HA GLY 1 4.815 -32.195 23.203 3 HA3 GLY 1 2HA GLY 1 4.227 -33.849 23.301 4 H SER 2 H SER 2 4.093 -31.618 21.218 5 HA SER 2 HA SER 2 1.509 -32.287 20.227 6 HB2 SER 2 1HB SER 2 0.923 -30.551 21.935 7 HB3 SER 2 2HB SER 2 1.900 -29.395 21.030 8 HG SER 2 HG SER 2 -0.013 -29.083 20.131 9 H SER 3 H SER 3 1.336 -31.895 18.056 10 HA SER 3 HA SER 3 3.665 -30.604 16.797 11 HB2 SER 3 1HB SER 3 3.244 -32.057 14.853 12 HB3 SER 3 2HB SER 3 3.503 -33.007 16.316 13 HG SER 3 HG SER 3 1.191 -32.644 14.806 14 H GLY 4 H GLY 4 3.301 -28.766 15.754 15 HA2 GLY 4 1HA GLY 4 2.253 -27.163 14.473 16 HA3 GLY 4 2HA GLY 4 1.020 -28.355 14.089 17 H SER 5 H SER 5 2.049 -25.965 16.461 18 HA SER 5 HA SER 5 -0.495 -26.107 17.854 19 HB2 SER 5 1HB SER 5 0.473 -24.410 19.348 20 HB3 SER 5 2HB SER 5 1.567 -25.779 19.153 21 HG SER 5 HG SER 5 2.929 -24.215 18.717 22 H SER 6 H SER 6 -1.869 -25.459 16.123 23 HA SER 6 HA SER 6 -3.135 -23.968 14.962 24 HB2 SER 6 1HB SER 6 -1.969 -22.255 17.127 25 HB3 SER 6 2HB SER 6 -2.901 -21.500 15.834 26 HG SER 6 HG SER 6 -3.747 -23.020 17.944 27 H GLY 7 H GLY 7 -0.737 -24.698 13.780 28 HA2 GLY 7 1HA GLY 7 0.844 -22.528 12.905 29 HA3 GLY 7 2HA GLY 7 0.725 -24.093 12.116 30 HA PRO 8 HA PRO 8 -1.245 -20.683 9.521 31 HB2 PRO 8 1HB PRO 8 0.477 -20.840 7.429 32 HB3 PRO 8 2HB PRO 8 0.741 -19.772 8.812 33 HG2 PRO 8 1HG PRO 8 1.923 -22.463 8.243 34 HG3 PRO 8 2HG PRO 8 2.713 -21.003 8.868 35 HD2 PRO 8 1HD PRO 8 1.961 -23.052 10.470 36 HD3 PRO 8 2HD PRO 8 1.960 -21.363 11.016 37 H LEU 9 H LEU 9 -1.877 -20.970 7.121 38 HA LEU 9 HA LEU 9 -2.660 -23.779 6.738 39 HB2 LEU 9 1HB LEU 9 -3.961 -21.175 6.127 40 HB3 LEU 9 2HB LEU 9 -4.303 -22.547 5.074 41 HG LEU 9 HG LEU 9 -4.677 -22.719 8.049 42 HD11 LEU 9 1HD1 LEU 9 -6.048 -20.891 7.541 43 HD12 LEU 9 2HD1 LEU 9 -7.125 -22.286 7.482 44 HD13 LEU 9 3HD1 LEU 9 -6.528 -21.569 5.985 45 HD21 LEU 9 1HD2 LEU 9 -6.411 -24.393 7.244 46 HD22 LEU 9 2HD2 LEU 9 -4.718 -24.840 7.031 47 HD23 LEU 9 3HD2 LEU 9 -5.655 -24.253 5.656 48 HA PRO 10 HA PRO 10 -0.193 -24.055 3.107 49 HB2 PRO 10 1HB PRO 10 -1.562 -25.986 1.777 50 HB3 PRO 10 2HB PRO 10 -0.568 -26.320 3.200 51 HG2 PRO 10 1HG PRO 10 -3.534 -25.970 3.002 52 HG3 PRO 10 2HG PRO 10 -2.608 -27.170 3.923 53 HD2 PRO 10 1HD PRO 10 -3.675 -24.961 5.069 54 HD3 PRO 10 2HD PRO 10 -2.162 -25.695 5.637 55 H SER 11 H SER 11 -3.525 -23.179 3.009 56 HA SER 11 HA SER 11 -4.276 -22.941 0.448 57 HB2 SER 11 1HB SER 11 -5.541 -22.030 2.389 58 HB3 SER 11 2HB SER 11 -4.450 -20.645 2.415 59 HG SER 11 HG SER 11 -6.372 -20.211 1.246 60 H THR 12 H THR 12 -3.766 -21.828 -1.364 61 HA THR 12 HA THR 12 -1.173 -20.623 -1.517 62 HB THR 12 HB THR 12 -1.829 -20.169 -3.916 63 HG1 THR 12 1HG THR 12 -3.780 -20.899 -4.630 64 HG21 THR 12 1HG2 THR 12 -2.350 -23.047 -3.288 65 HG22 THR 12 2HG2 THR 12 -0.781 -22.338 -2.907 66 HG23 THR 12 3HG2 THR 12 -1.368 -22.340 -4.570 67 H GLN 13 H GLN 13 -0.794 -18.484 -2.496 68 HA GLN 13 HA GLN 13 -2.915 -16.524 -2.157 69 HB2 GLN 13 1HB GLN 13 -1.572 -16.878 0.044 70 HB3 GLN 13 2HB GLN 13 -0.302 -15.986 -0.784 71 HG2 GLN 13 1HG GLN 13 -1.487 -14.411 0.495 72 HG3 GLN 13 2HG GLN 13 -1.993 -14.165 -1.176 73 HE21 GLN 13 1HE2 GLN 13 -3.164 -13.956 1.731 74 HE22 GLN 13 2HE2 GLN 13 -4.771 -14.552 1.516 75 H ASN 14 H ASN 14 -2.728 -14.820 -3.520 76 HA ASN 14 HA ASN 14 -0.734 -14.973 -5.577 77 HB2 ASN 14 1HB ASN 14 -1.917 -13.046 -6.557 78 HB3 ASN 14 2HB ASN 14 -3.032 -14.338 -6.122 79 HD21 ASN 14 1HD2 ASN 14 -1.990 -11.113 -5.479 80 HD22 ASN 14 2HD2 ASN 14 -3.262 -10.692 -4.389 81 H GLY 15 H GLY 15 0.543 -13.068 -6.260 82 HA2 GLY 15 1HA GLY 15 2.231 -12.174 -4.206 83 HA3 GLY 15 2HA GLY 15 2.175 -11.512 -5.833 84 HA PRO 16 HA PRO 16 0.317 -8.624 -2.489 85 HB2 PRO 16 1HB PRO 16 2.480 -7.070 -1.963 86 HB3 PRO 16 2HB PRO 16 2.091 -8.521 -1.032 87 HG2 PRO 16 1HG PRO 16 4.065 -8.169 -3.255 88 HG3 PRO 16 2HG PRO 16 4.246 -9.051 -1.727 89 HD2 PRO 16 1HD PRO 16 3.709 -10.294 -4.072 90 HD3 PRO 16 2HD PRO 16 3.111 -10.897 -2.513 91 H VAL 17 H VAL 17 -0.143 -6.383 -2.833 92 HA VAL 17 HA VAL 17 0.291 -5.566 -5.609 93 HB VAL 17 HB VAL 17 -1.580 -4.354 -3.571 94 HG11 VAL 17 1HG1 VAL 17 -0.725 -3.484 -6.123 95 HG12 VAL 17 2HG1 VAL 17 -2.401 -4.014 -6.277 96 HG13 VAL 17 3HG1 VAL 17 -1.970 -2.784 -5.089 97 HG21 VAL 17 1HG2 VAL 17 -1.806 -6.868 -4.576 98 HG22 VAL 17 2HG2 VAL 17 -3.167 -5.865 -4.076 99 HG23 VAL 17 3HG2 VAL 17 -2.701 -5.936 -5.775 100 H PHE 18 H PHE 18 1.319 -3.715 -6.192 101 HA PHE 18 HA PHE 18 2.597 -2.184 -4.024 102 HB2 PHE 18 1HB PHE 18 3.551 -2.934 -6.776 103 HB3 PHE 18 2HB PHE 18 4.258 -1.574 -5.910 104 HD1 PHE 18 1HD PHE 18 4.830 -2.219 -3.341 105 HD2 PHE 18 2HD PHE 18 4.692 -4.907 -6.638 106 HE1 PHE 18 1HE PHE 18 6.329 -3.759 -2.144 107 HE2 PHE 18 2HE PHE 18 6.189 -6.452 -5.445 108 HZ PHE 18 HZ PHE 18 7.010 -5.880 -3.195 109 H ALA 19 H ALA 19 2.253 -0.050 -3.897 110 HA ALA 19 HA ALA 19 1.109 1.350 -6.208 111 HB1 ALA 19 1HB ALA 19 -0.787 2.011 -5.175 112 HB2 ALA 19 2HB ALA 19 -0.529 0.537 -4.241 113 HB3 ALA 19 3HB ALA 19 -0.024 2.095 -3.587 114 H LYS 20 H LYS 20 2.313 3.064 -6.645 115 HA LYS 20 HA LYS 20 4.155 4.117 -4.680 116 HB2 LYS 20 1HB LYS 20 5.036 3.914 -6.876 117 HB3 LYS 20 2HB LYS 20 3.647 4.723 -7.588 118 HG2 LYS 20 1HG LYS 20 4.361 6.820 -6.924 119 HG3 LYS 20 2HG LYS 20 5.407 6.173 -5.658 120 HD2 LYS 20 1HD LYS 20 5.944 5.566 -8.543 121 HD3 LYS 20 2HD LYS 20 6.480 7.089 -7.829 122 HE2 LYS 20 1HE LYS 20 7.425 5.474 -5.966 123 HE3 LYS 20 2HE LYS 20 7.382 4.305 -7.285 124 HZ1 LYS 20 1HZ LYS 20 9.501 5.269 -7.355 125 HZ2 LYS 20 2HZ LYS 20 8.906 6.838 -7.142 126 HZ3 LYS 20 3HZ LYS 20 8.648 6.027 -8.604 127 H ALA 21 H ALA 21 4.053 6.064 -3.668 128 HA ALA 21 HA ALA 21 1.488 7.352 -3.533 129 HB1 ALA 21 1HB ALA 21 4.116 7.817 -2.154 130 HB2 ALA 21 2HB ALA 21 2.734 8.890 -1.929 131 HB3 ALA 21 3HB ALA 21 2.612 7.190 -1.479 132 H ILE 22 H ILE 22 0.852 8.748 -5.035 133 HA ILE 22 HA ILE 22 2.761 10.227 -6.623 134 HB ILE 22 HB ILE 22 0.701 11.179 -7.711 135 HG12 ILE 22 1HG1 ILE 22 -0.869 9.045 -6.318 136 HG13 ILE 22 2HG1 ILE 22 -0.648 10.600 -5.524 137 HG21 ILE 22 1HG2 ILE 22 1.439 9.495 -9.016 138 HG22 ILE 22 2HG2 ILE 22 1.535 8.355 -7.674 139 HG23 ILE 22 3HG2 ILE 22 -0.019 8.688 -8.439 140 HD11 ILE 22 1HD1 ILE 22 -1.580 11.671 -7.588 141 HD12 ILE 22 2HD1 ILE 22 -1.992 10.051 -8.151 142 HD13 ILE 22 3HD1 ILE 22 -2.713 10.679 -6.670 143 H GLN 23 H GLN 23 0.915 10.746 -3.785 144 HA GLN 23 HA GLN 23 1.662 13.591 -3.832 145 HB2 GLN 23 1HB GLN 23 -0.945 12.360 -2.961 146 HB3 GLN 23 2HB GLN 23 -0.444 13.960 -2.433 147 HG2 GLN 23 1HG GLN 23 -1.146 13.025 -5.186 148 HG3 GLN 23 2HG GLN 23 -1.830 14.358 -4.257 149 HE21 GLN 23 1HE2 GLN 23 0.111 15.903 -3.525 150 HE22 GLN 23 2HE2 GLN 23 1.072 16.455 -4.850 151 H LYS 24 H LYS 24 1.620 14.549 -1.575 152 HA LYS 24 HA LYS 24 3.105 12.762 0.174 153 HB2 LYS 24 1HB LYS 24 3.833 15.132 -0.395 154 HB3 LYS 24 2HB LYS 24 2.516 15.686 0.629 155 HG2 LYS 24 1HG LYS 24 3.500 14.784 2.564 156 HG3 LYS 24 2HG LYS 24 4.640 13.815 1.628 157 HD2 LYS 24 1HD LYS 24 5.943 15.590 2.379 158 HD3 LYS 24 2HD LYS 24 5.497 16.085 0.745 159 HE2 LYS 24 1HE LYS 24 3.734 16.890 3.002 160 HE3 LYS 24 2HE LYS 24 5.272 17.727 2.803 161 HZ1 LYS 24 1HZ LYS 24 3.117 17.498 0.773 162 HZ2 LYS 24 2HZ LYS 24 4.622 18.219 0.501 163 HZ3 LYS 24 3HZ LYS 24 3.553 18.893 1.625 164 H ARG 25 H ARG 25 2.233 11.755 1.856 165 HA ARG 25 HA ARG 25 -0.456 12.512 2.718 166 HB2 ARG 25 1HB ARG 25 -0.100 10.167 2.136 167 HB3 ARG 25 2HB ARG 25 1.196 10.053 3.318 168 HG2 ARG 25 1HG ARG 25 -0.635 9.071 4.368 169 HG3 ARG 25 2HG ARG 25 -0.566 10.697 5.050 170 HD2 ARG 25 1HD ARG 25 -2.342 9.850 2.765 171 HD3 ARG 25 2HD ARG 25 -2.858 9.993 4.445 172 HE ARG 25 HE ARG 25 -2.366 12.147 2.581 173 HH11 ARG 25 2HH1 ARG 25 -2.744 11.214 5.914 174 HH12 ARG 25 1HH1 ARG 25 -3.175 12.806 6.446 175 HH21 ARG 25 2HH2 ARG 25 -2.933 14.246 3.269 176 HH22 ARG 25 1HH2 ARG 25 -3.284 14.529 4.941 177 H VAL 26 H VAL 26 -0.750 13.682 4.487 178 HA VAL 26 HA VAL 26 1.335 13.631 6.573 179 HB VAL 26 HB VAL 26 -0.408 15.972 5.790 180 HG11 VAL 26 1HG1 VAL 26 1.083 15.376 8.189 181 HG12 VAL 26 2HG1 VAL 26 1.685 16.840 7.407 182 HG13 VAL 26 3HG1 VAL 26 -0.018 16.711 7.852 183 HG21 VAL 26 1HG2 VAL 26 1.654 17.010 5.021 184 HG22 VAL 26 2HG2 VAL 26 2.564 15.563 5.456 185 HG23 VAL 26 3HG2 VAL 26 1.367 15.497 4.162 186 HA PRO 27 HA PRO 27 -2.406 12.047 8.645 187 HB2 PRO 27 1HB PRO 27 -1.022 10.656 10.522 188 HB3 PRO 27 2HB PRO 27 -1.343 10.026 8.902 189 HG2 PRO 27 1HG PRO 27 1.136 11.317 9.975 190 HG3 PRO 27 2HG PRO 27 0.978 9.887 8.938 191 HD2 PRO 27 1HD PRO 27 1.626 12.329 7.963 192 HD3 PRO 27 2HD PRO 27 0.685 11.147 7.030 193 H CYS 28 H CYS 28 -3.360 12.617 10.599 194 HA CYS 28 HA CYS 28 -2.195 14.927 11.902 195 HB2 CYS 28 1HB CYS 28 -4.876 13.592 11.943 196 HB3 CYS 28 2HB CYS 28 -4.445 14.704 13.236 197 HG CYS 28 HG CYS 28 -3.653 16.470 10.795 198 H ALA 29 H ALA 29 -1.864 15.113 14.160 199 HA ALA 29 HA ALA 29 -0.426 13.119 15.377 200 HB1 ALA 29 1HB ALA 29 -0.585 14.357 17.408 201 HB2 ALA 29 2HB ALA 29 -0.553 15.517 16.079 202 HB3 ALA 29 3HB ALA 29 -2.076 15.138 16.883 203 H TYR 30 H TYR 30 -3.844 13.913 16.021 204 HA TYR 30 HA TYR 30 -4.349 11.868 17.844 205 HB2 TYR 30 1HB TYR 30 -6.421 12.830 15.886 206 HB3 TYR 30 2HB TYR 30 -6.637 12.344 17.564 207 HD1 TYR 30 2HD TYR 30 -5.621 13.845 19.371 208 HD2 TYR 30 1HD TYR 30 -6.112 15.082 15.330 209 HE1 TYR 30 2HE TYR 30 -5.456 16.196 20.077 210 HE2 TYR 30 1HE TYR 30 -5.947 17.436 16.024 211 HH TYR 30 HH TYR 30 -5.803 18.344 19.420 212 H ASP 31 H ASP 31 -4.580 11.888 14.316 213 HA ASP 31 HA ASP 31 -5.620 9.235 14.128 214 HB2 ASP 31 1HB ASP 31 -4.603 11.279 12.214 215 HB3 ASP 31 2HB ASP 31 -4.651 9.603 11.672 216 H LYS 32 H LYS 32 -4.520 7.464 14.605 217 HA LYS 32 HA LYS 32 -1.601 7.461 14.249 218 HB2 LYS 32 1HB LYS 32 -3.451 6.039 16.117 219 HB3 LYS 32 2HB LYS 32 -1.920 5.281 15.699 220 HG2 LYS 32 1HG LYS 32 -1.892 8.114 16.595 221 HG3 LYS 32 2HG LYS 32 -2.156 6.849 17.797 222 HD2 LYS 32 1HD LYS 32 0.129 6.764 15.843 223 HD3 LYS 32 2HD LYS 32 0.251 7.580 17.404 224 HE2 LYS 32 1HE LYS 32 -0.697 4.744 17.237 225 HE3 LYS 32 2HE LYS 32 1.027 5.114 17.191 226 HZ1 LYS 32 1HZ LYS 32 0.965 6.009 19.326 227 HZ2 LYS 32 2HZ LYS 32 -0.012 4.633 19.444 228 HZ3 LYS 32 3HZ LYS 32 -0.720 6.166 19.330 229 H THR 33 H THR 33 -4.562 5.902 13.302 230 HA THR 33 HA THR 33 -3.373 3.592 12.128 231 HB THR 33 HB THR 33 -5.572 3.306 10.994 232 HG1 THR 33 1HG THR 33 -6.571 5.164 10.699 233 HG21 THR 33 1HG2 THR 33 -6.155 3.993 13.844 234 HG22 THR 33 2HG2 THR 33 -4.999 2.712 13.478 235 HG23 THR 33 3HG2 THR 33 -6.661 2.591 12.902 236 H ALA 34 H ALA 34 -3.781 6.855 11.122 237 HA ALA 34 HA ALA 34 -3.675 6.384 8.302 238 HB1 ALA 34 1HB ALA 34 -3.588 8.764 10.073 239 HB2 ALA 34 2HB ALA 34 -2.949 8.930 8.437 240 HB3 ALA 34 3HB ALA 34 -4.619 8.420 8.684 241 H LEU 35 H LEU 35 -1.939 5.501 7.384 242 HA LEU 35 HA LEU 35 0.688 5.729 8.508 243 HB2 LEU 35 1HB LEU 35 -0.443 3.841 7.042 244 HB3 LEU 35 2HB LEU 35 0.253 4.780 5.723 245 HG LEU 35 HG LEU 35 1.728 3.423 7.974 246 HD11 LEU 35 1HD1 LEU 35 0.818 2.330 5.686 247 HD12 LEU 35 2HD1 LEU 35 2.291 1.814 6.505 248 HD13 LEU 35 3HD1 LEU 35 2.385 2.934 5.147 249 HD21 LEU 35 1HD2 LEU 35 3.095 5.222 7.727 250 HD22 LEU 35 2HD2 LEU 35 2.548 5.556 6.084 251 HD23 LEU 35 3HD2 LEU 35 3.692 4.247 6.384 252 H ALA 36 H ALA 36 2.378 6.974 7.862 253 HA ALA 36 HA ALA 36 1.748 9.170 6.036 254 HB1 ALA 36 1HB ALA 36 2.883 9.252 8.464 255 HB2 ALA 36 2HB ALA 36 4.332 9.137 7.465 256 HB3 ALA 36 3HB ALA 36 3.189 10.456 7.211 257 H LEU 37 H LEU 37 2.822 9.550 4.157 258 HA LEU 37 HA LEU 37 5.062 7.793 3.450 259 HB2 LEU 37 1HB LEU 37 2.749 8.375 1.611 260 HB3 LEU 37 2HB LEU 37 4.138 7.345 1.272 261 HG LEU 37 HG LEU 37 2.339 6.653 3.551 262 HD11 LEU 37 1HD1 LEU 37 0.899 5.378 2.053 263 HD12 LEU 37 2HD1 LEU 37 1.753 6.038 0.658 264 HD13 LEU 37 3HD1 LEU 37 0.813 7.104 1.702 265 HD21 LEU 37 1HD2 LEU 37 3.857 5.014 3.573 266 HD22 LEU 37 2HD2 LEU 37 4.444 5.414 1.959 267 HD23 LEU 37 3HD2 LEU 37 3.020 4.391 2.152 268 H GLU 38 H GLU 38 6.184 8.561 1.435 269 HA GLU 38 HA GLU 38 6.097 11.503 1.278 270 HB2 GLU 38 1HB GLU 38 8.128 11.084 2.343 271 HB3 GLU 38 2HB GLU 38 8.420 9.615 1.422 272 HG2 GLU 38 1HG GLU 38 9.266 10.737 -0.374 273 HG3 GLU 38 2HG GLU 38 8.336 12.197 -0.041 274 H VAL 39 H VAL 39 5.887 12.384 -0.687 275 HA VAL 39 HA VAL 39 4.947 11.189 -2.890 276 HB VAL 39 HB VAL 39 6.979 13.424 -2.983 277 HG11 VAL 39 1HG1 VAL 39 5.359 13.972 -5.009 278 HG12 VAL 39 2HG1 VAL 39 6.760 12.915 -5.194 279 HG13 VAL 39 3HG1 VAL 39 5.151 12.221 -4.989 280 HG21 VAL 39 1HG2 VAL 39 5.186 13.978 -1.462 281 HG22 VAL 39 2HG2 VAL 39 4.998 14.905 -2.950 282 HG23 VAL 39 3HG2 VAL 39 3.981 13.495 -2.656 283 H GLY 40 H GLY 40 5.604 9.442 -3.955 284 HA2 GLY 40 1HA GLY 40 7.015 8.363 -5.509 285 HA3 GLY 40 2HA GLY 40 8.355 9.347 -4.940 286 H ASP 41 H ASP 41 6.083 7.267 -3.168 287 HA ASP 41 HA ASP 41 8.390 5.657 -2.292 288 HB2 ASP 41 1HB ASP 41 7.176 7.305 -0.609 289 HB3 ASP 41 2HB ASP 41 6.021 5.980 -0.504 290 H ILE 42 H ILE 42 8.139 3.467 -2.235 291 HA ILE 42 HA ILE 42 5.876 2.396 -3.682 292 HB ILE 42 HB ILE 42 8.194 0.884 -2.478 293 HG12 ILE 42 1HG1 ILE 42 9.014 2.602 -4.018 294 HG13 ILE 42 2HG1 ILE 42 9.212 0.998 -4.715 295 HG21 ILE 42 1HG2 ILE 42 7.170 -0.935 -3.226 296 HG22 ILE 42 2HG2 ILE 42 5.815 0.052 -3.772 297 HG23 ILE 42 3HG2 ILE 42 7.164 -0.271 -4.860 298 HD11 ILE 42 1HD1 ILE 42 6.974 2.898 -5.370 299 HD12 ILE 42 2HD1 ILE 42 8.427 2.657 -6.341 300 HD13 ILE 42 3HD1 ILE 42 7.283 1.333 -6.122 301 H VAL 43 H VAL 43 4.051 1.930 -2.658 302 HA VAL 43 HA VAL 43 4.101 1.215 0.173 303 HB VAL 43 HB VAL 43 1.759 1.765 -1.656 304 HG11 VAL 43 1HG1 VAL 43 0.687 2.055 0.732 305 HG12 VAL 43 2HG1 VAL 43 0.780 0.471 -0.041 306 HG13 VAL 43 3HG1 VAL 43 1.959 0.923 1.192 307 HG21 VAL 43 1HG2 VAL 43 3.306 3.454 0.275 308 HG22 VAL 43 2HG2 VAL 43 2.817 3.819 -1.380 309 HG23 VAL 43 3HG2 VAL 43 1.617 3.811 -0.087 310 H LYS 44 H LYS 44 4.101 -0.833 0.794 311 HA LYS 44 HA LYS 44 3.234 -2.896 -1.104 312 HB2 LYS 44 1HB LYS 44 5.483 -3.212 -0.300 313 HB3 LYS 44 2HB LYS 44 4.960 -3.042 1.371 314 HG2 LYS 44 1HG LYS 44 3.448 -5.107 0.753 315 HG3 LYS 44 2HG LYS 44 4.687 -5.348 -0.481 316 HD2 LYS 44 1HD LYS 44 6.413 -5.298 1.278 317 HD3 LYS 44 2HD LYS 44 5.146 -5.122 2.495 318 HE2 LYS 44 1HE LYS 44 4.356 -7.281 2.163 319 HE3 LYS 44 2HE LYS 44 5.088 -7.409 0.565 320 HZ1 LYS 44 1HZ LYS 44 6.130 -8.586 2.652 321 HZ2 LYS 44 2HZ LYS 44 6.868 -7.079 2.862 322 HZ3 LYS 44 3HZ LYS 44 7.106 -7.945 1.428 323 H VAL 45 H VAL 45 1.146 -3.386 -0.873 324 HA VAL 45 HA VAL 45 0.030 -3.564 1.844 325 HB VAL 45 HB VAL 45 -1.334 -2.078 0.690 326 HG11 VAL 45 1HG1 VAL 45 -2.219 -2.896 -1.677 327 HG12 VAL 45 2HG1 VAL 45 -0.711 -1.996 -1.498 328 HG13 VAL 45 3HG1 VAL 45 -0.677 -3.752 -1.669 329 HG21 VAL 45 1HG2 VAL 45 -2.837 -4.525 -0.102 330 HG22 VAL 45 2HG2 VAL 45 -2.447 -4.282 1.601 331 HG23 VAL 45 3HG2 VAL 45 -3.399 -3.077 0.735 332 H THR 46 H THR 46 -0.637 -5.465 2.632 333 HA THR 46 HA THR 46 -0.474 -7.806 0.864 334 HB THR 46 HB THR 46 -0.161 -9.160 2.833 335 HG1 THR 46 1HG THR 46 -0.298 -8.296 4.893 336 HG21 THR 46 1HG2 THR 46 1.914 -8.147 3.763 337 HG22 THR 46 2HG2 THR 46 1.525 -6.657 2.904 338 HG23 THR 46 3HG2 THR 46 1.856 -8.135 2.001 339 H ARG 47 H ARG 47 -2.643 -5.917 2.761 340 HA ARG 47 HA ARG 47 -4.802 -7.815 2.137 341 HB2 ARG 47 1HB ARG 47 -4.436 -6.263 4.705 342 HB3 ARG 47 2HB ARG 47 -5.893 -7.151 4.280 343 HG2 ARG 47 1HG ARG 47 -4.539 -9.224 4.170 344 HG3 ARG 47 2HG ARG 47 -3.149 -8.298 4.738 345 HD2 ARG 47 1HD ARG 47 -4.227 -9.477 6.579 346 HD3 ARG 47 2HD ARG 47 -4.357 -7.731 6.783 347 HE ARG 47 HE ARG 47 -6.514 -9.599 6.300 348 HH11 ARG 47 2HH1 ARG 47 -5.478 -6.275 6.315 349 HH12 ARG 47 1HH1 ARG 47 -7.084 -5.639 6.449 350 HH21 ARG 47 2HH2 ARG 47 -8.634 -8.773 6.477 351 HH22 ARG 47 1HH2 ARG 47 -8.878 -7.061 6.542 352 H MET 48 H MET 48 -6.464 -6.946 1.072 353 HA MET 48 HA MET 48 -6.669 -4.007 0.998 354 HB2 MET 48 1HB MET 48 -7.085 -6.090 -1.122 355 HB3 MET 48 2HB MET 48 -7.886 -4.529 -1.243 356 HG2 MET 48 1HG MET 48 -5.523 -3.551 -0.901 357 HG3 MET 48 2HG MET 48 -4.969 -5.164 -1.342 358 HE1 MET 48 1HE MET 48 -5.004 -2.015 -3.979 359 HE2 MET 48 2HE MET 48 -4.301 -2.517 -2.441 360 HE3 MET 48 3HE MET 48 -3.828 -3.329 -3.935 361 H ASN 49 H ASN 49 -8.247 -3.487 2.394 362 HA ASN 49 HA ASN 49 -10.545 -5.148 2.823 363 HB2 ASN 49 1HB ASN 49 -10.239 -2.278 3.704 364 HB3 ASN 49 2HB ASN 49 -11.211 -3.545 4.447 365 HD21 ASN 49 1HD2 ASN 49 -9.130 -1.833 5.584 366 HD22 ASN 49 2HD2 ASN 49 -7.945 -2.904 6.241 367 H ILE 50 H ILE 50 -12.379 -5.156 1.710 368 HA ILE 50 HA ILE 50 -12.860 -3.851 -0.636 369 HB ILE 50 HB ILE 50 -14.921 -4.723 1.392 370 HG12 ILE 50 1HG1 ILE 50 -13.353 -6.480 0.554 371 HG13 ILE 50 2HG1 ILE 50 -15.034 -6.773 0.123 372 HG21 ILE 50 1HG2 ILE 50 -15.191 -3.382 -1.167 373 HG22 ILE 50 2HG2 ILE 50 -16.041 -4.925 -1.124 374 HG23 ILE 50 3HG2 ILE 50 -16.398 -3.689 0.082 375 HD11 ILE 50 1HD1 ILE 50 -14.624 -5.971 -2.121 376 HD12 ILE 50 2HD1 ILE 50 -12.955 -5.589 -1.699 377 HD13 ILE 50 3HD1 ILE 50 -13.499 -7.266 -1.713 378 H ASN 51 H ASN 51 -13.953 -2.812 2.587 379 HA ASN 51 HA ASN 51 -15.461 -0.648 2.103 380 HB2 ASN 51 1HB ASN 51 -14.945 0.111 4.218 381 HB3 ASN 51 2HB ASN 51 -14.353 -1.545 4.327 382 HD21 ASN 51 1HD2 ASN 51 -13.598 1.680 4.733 383 HD22 ASN 51 2HD2 ASN 51 -11.883 1.533 4.876 384 H GLY 52 H GLY 52 -11.908 -0.654 1.949 385 HA2 GLY 52 1HA GLY 52 -11.352 0.776 -0.198 386 HA3 GLY 52 2HA GLY 52 -11.941 2.056 0.852 387 H GLN 53 H GLN 53 -10.895 1.368 3.280 388 HA GLN 53 HA GLN 53 -8.194 2.216 2.993 389 HB2 GLN 53 1HB GLN 53 -10.009 1.570 5.257 390 HB3 GLN 53 2HB GLN 53 -8.280 1.530 5.576 391 HG2 GLN 53 1HG GLN 53 -8.031 3.776 5.303 392 HG3 GLN 53 2HG GLN 53 -9.378 3.900 4.172 393 HE21 GLN 53 1HE2 GLN 53 -8.360 4.233 7.387 394 HE22 GLN 53 2HE2 GLN 53 -9.895 4.598 8.090 395 H TRP 54 H TRP 54 -6.511 0.985 2.519 396 HA TRP 54 HA TRP 54 -6.650 -1.892 3.087 397 HB2 TRP 54 1HB TRP 54 -4.584 -0.566 1.345 398 HB3 TRP 54 2HB TRP 54 -5.118 -2.244 1.333 399 HD1 TRP 54 HD TRP 54 -8.293 -1.572 1.204 400 HE1 TRP 54 1HE TRP 54 -9.270 -0.753 -1.032 401 HE3 TRP 54 3HE TRP 54 -3.991 0.091 -1.001 402 HZ2 TRP 54 2HZ TRP 54 -8.340 0.440 -3.415 403 HZ3 TRP 54 3HZ TRP 54 -4.121 1.057 -3.260 404 HH2 TRP 54 HH TRP 54 -6.251 1.227 -4.441 405 H GLU 55 H GLU 55 -4.758 -2.980 3.907 406 HA GLU 55 HA GLU 55 -3.296 -1.299 5.808 407 HB2 GLU 55 1HB GLU 55 -4.588 -3.329 6.578 408 HB3 GLU 55 2HB GLU 55 -3.410 -4.314 5.722 409 HG2 GLU 55 1HG GLU 55 -1.654 -3.100 7.136 410 HG3 GLU 55 2HG GLU 55 -3.012 -2.593 8.139 411 H GLY 56 H GLY 56 -1.314 -0.669 5.294 412 HA2 GLY 56 1HA GLY 56 0.395 -2.528 3.771 413 HA3 GLY 56 2HA GLY 56 0.272 -0.841 3.296 414 H GLU 57 H GLU 57 2.711 -2.002 3.895 415 HA GLU 57 HA GLU 57 3.442 -0.495 6.306 416 HB2 GLU 57 1HB GLU 57 3.408 -2.741 7.091 417 HB3 GLU 57 2HB GLU 57 4.219 -3.332 5.648 418 HG2 GLU 57 1HG GLU 57 6.179 -1.849 6.395 419 HG3 GLU 57 2HG GLU 57 5.362 -1.814 7.957 420 H VAL 58 H VAL 58 4.867 1.006 5.766 421 HA VAL 58 HA VAL 58 6.911 0.362 3.748 422 HB VAL 58 HB VAL 58 5.424 2.984 3.962 423 HG11 VAL 58 1HG1 VAL 58 7.806 3.241 3.381 424 HG12 VAL 58 2HG1 VAL 58 7.572 2.149 2.015 425 HG13 VAL 58 3HG1 VAL 58 6.735 3.701 2.059 426 HG21 VAL 58 1HG2 VAL 58 5.403 0.881 1.798 427 HG22 VAL 58 2HG2 VAL 58 4.086 1.232 2.917 428 HG23 VAL 58 3HG2 VAL 58 4.577 2.438 1.729 429 H ASN 59 H ASN 59 8.903 1.479 3.969 430 HA ASN 59 HA ASN 59 10.158 1.563 6.295 431 HB2 ASN 59 1HB ASN 59 11.491 3.582 5.414 432 HB3 ASN 59 2HB ASN 59 11.456 2.129 4.419 433 HD21 ASN 59 1HD2 ASN 59 10.714 5.443 4.618 434 HD22 ASN 59 2HD2 ASN 59 10.002 5.617 3.053 435 H GLY 60 H GLY 60 8.877 2.094 8.061 436 HA2 GLY 60 1HA GLY 60 9.098 4.452 9.313 437 HA3 GLY 60 2HA GLY 60 7.728 4.755 8.254 438 H ARG 61 H ARG 61 5.880 3.252 8.442 439 HA ARG 61 HA ARG 61 5.666 1.715 10.878 440 HB2 ARG 61 1HB ARG 61 4.487 4.417 10.599 441 HB3 ARG 61 2HB ARG 61 3.430 3.179 11.264 442 HG2 ARG 61 1HG ARG 61 4.642 2.971 13.178 443 HG3 ARG 61 2HG ARG 61 6.161 3.415 12.396 444 HD2 ARG 61 1HD ARG 61 4.031 5.478 12.597 445 HD3 ARG 61 2HD ARG 61 4.908 5.049 14.064 446 HE ARG 61 HE ARG 61 6.589 5.641 11.797 447 HH11 ARG 61 2HH1 ARG 61 4.918 6.924 14.569 448 HH12 ARG 61 1HH1 ARG 61 5.936 8.320 14.700 449 HH21 ARG 61 2HH2 ARG 61 7.936 7.474 11.959 450 HH22 ARG 61 1HH2 ARG 61 7.652 8.632 13.214 451 H LYS 62 H LYS 62 3.064 1.244 11.088 452 HA LYS 62 HA LYS 62 2.226 0.381 8.396 453 HB2 LYS 62 1HB LYS 62 1.634 -1.087 10.967 454 HB3 LYS 62 2HB LYS 62 1.355 -1.649 9.324 455 HG2 LYS 62 1HG LYS 62 3.634 -2.004 8.935 456 HG3 LYS 62 2HG LYS 62 4.112 -1.029 10.327 457 HD2 LYS 62 1HD LYS 62 2.775 -2.819 11.679 458 HD3 LYS 62 2HD LYS 62 3.021 -3.811 10.240 459 HE2 LYS 62 1HE LYS 62 4.850 -4.349 11.566 460 HE3 LYS 62 2HE LYS 62 5.499 -3.128 10.472 461 HZ1 LYS 62 1HZ LYS 62 6.225 -2.242 12.394 462 HZ2 LYS 62 2HZ LYS 62 5.041 -2.994 13.338 463 HZ3 LYS 62 3HZ LYS 62 4.665 -1.592 12.469 464 H GLY 63 H GLY 63 0.482 1.459 7.763 465 HA2 GLY 63 1HA GLY 63 -1.797 1.678 9.559 466 HA3 GLY 63 2HA GLY 63 -1.097 3.201 9.030 467 H LEU 64 H LEU 64 -3.669 2.802 8.425 468 HA LEU 64 HA LEU 64 -3.926 1.615 5.798 469 HB2 LEU 64 1HB LEU 64 -5.953 3.231 7.329 470 HB3 LEU 64 2HB LEU 64 -6.257 2.160 5.963 471 HG LEU 64 HG LEU 64 -5.285 1.241 8.667 472 HD11 LEU 64 1HD1 LEU 64 -7.731 0.250 8.560 473 HD12 LEU 64 2HD1 LEU 64 -8.007 1.678 7.562 474 HD13 LEU 64 3HD1 LEU 64 -7.410 1.857 9.212 475 HD21 LEU 64 1HD2 LEU 64 -5.796 -0.068 6.072 476 HD22 LEU 64 2HD2 LEU 64 -6.408 -0.903 7.501 477 HD23 LEU 64 3HD2 LEU 64 -4.692 -0.513 7.373 478 H PHE 65 H PHE 65 -4.379 2.711 3.891 479 HA PHE 65 HA PHE 65 -4.177 5.635 3.937 480 HB2 PHE 65 1HB PHE 65 -2.619 5.555 1.997 481 HB3 PHE 65 2HB PHE 65 -1.923 4.886 3.470 482 HD1 PHE 65 1HD PHE 65 -1.667 2.444 3.716 483 HD2 PHE 65 2HD PHE 65 -2.952 4.218 0.067 484 HE1 PHE 65 1HE PHE 65 -1.131 0.362 2.520 485 HE2 PHE 65 2HE PHE 65 -2.420 2.139 -1.135 486 HZ PHE 65 HZ PHE 65 -1.509 0.207 0.091 487 HA PRO 66 HA PRO 66 -7.540 5.387 1.108 488 HB2 PRO 66 1HB PRO 66 -7.335 7.850 -0.015 489 HB3 PRO 66 2HB PRO 66 -7.938 7.590 1.626 490 HG2 PRO 66 1HG PRO 66 -5.212 8.432 0.721 491 HG3 PRO 66 2HG PRO 66 -6.187 9.055 2.065 492 HD2 PRO 66 1HD PRO 66 -4.161 7.295 2.428 493 HD3 PRO 66 2HD PRO 66 -5.606 7.313 3.459 494 H PHE 67 H PHE 67 -7.948 4.909 -1.017 495 HA PHE 67 HA PHE 67 -5.679 4.309 -2.672 496 HB2 PHE 67 1HB PHE 67 -7.294 3.343 -4.209 497 HB3 PHE 67 2HB PHE 67 -7.672 2.839 -2.565 498 HD1 PHE 67 2HD PHE 67 -8.647 5.161 -5.269 499 HD2 PHE 67 1HD PHE 67 -9.755 3.325 -1.593 500 HE1 PHE 67 2HE PHE 67 -10.944 5.997 -5.548 501 HE2 PHE 67 1HE PHE 67 -12.054 4.158 -1.866 502 HZ PHE 67 HZ PHE 67 -12.651 5.496 -3.845 503 H THR 68 H THR 68 -7.520 7.056 -2.177 504 HA THR 68 HA THR 68 -7.366 8.051 -4.899 505 HB THR 68 HB THR 68 -8.289 10.173 -3.844 506 HG1 THR 68 1HG THR 68 -7.945 10.072 -1.719 507 HG21 THR 68 1HG2 THR 68 -9.585 8.156 -4.882 508 HG22 THR 68 2HG2 THR 68 -10.465 9.397 -3.990 509 HG23 THR 68 3HG2 THR 68 -10.079 7.861 -3.216 510 H HIS 69 H HIS 69 -5.068 7.574 -2.762 511 HA HIS 69 HA HIS 69 -3.731 10.156 -3.236 512 HB2 HIS 69 1HB HIS 69 -4.197 9.225 -0.818 513 HB3 HIS 69 2HB HIS 69 -2.779 8.234 -1.149 514 HD1 HIS 69 1HD HIS 69 -3.828 11.807 -0.660 515 HD2 HIS 69 2HD HIS 69 -0.350 9.574 -1.082 516 HE1 HIS 69 1HE HIS 69 -1.949 13.373 -0.079 517 HE2 HIS 69 2HE HIS 69 0.150 12.025 -0.423 518 H VAL 70 H VAL 70 -3.418 6.661 -3.359 519 HA VAL 70 HA VAL 70 -0.835 6.960 -4.740 520 HB VAL 70 HB VAL 70 -0.313 4.708 -4.166 521 HG11 VAL 70 1HG1 VAL 70 0.248 5.232 -2.076 522 HG12 VAL 70 2HG1 VAL 70 -0.734 6.685 -2.264 523 HG13 VAL 70 3HG1 VAL 70 -1.435 5.232 -1.551 524 HG21 VAL 70 1HG2 VAL 70 -3.050 4.418 -2.943 525 HG22 VAL 70 2HG2 VAL 70 -2.628 3.838 -4.554 526 HG23 VAL 70 3HG2 VAL 70 -1.821 3.168 -3.135 527 H LYS 71 H LYS 71 -0.447 5.796 -6.663 528 HA LYS 71 HA LYS 71 -2.902 5.050 -8.112 529 HB2 LYS 71 1HB LYS 71 -1.528 7.054 -8.909 530 HB3 LYS 71 2HB LYS 71 -0.302 5.887 -9.386 531 HG2 LYS 71 1HG LYS 71 -1.843 4.831 -10.914 532 HG3 LYS 71 2HG LYS 71 -3.145 5.896 -10.379 533 HD2 LYS 71 1HD LYS 71 -0.598 7.005 -11.511 534 HD3 LYS 71 2HD LYS 71 -1.909 6.471 -12.565 535 HE2 LYS 71 1HE LYS 71 -3.398 8.075 -11.692 536 HE3 LYS 71 2HE LYS 71 -2.352 8.412 -10.313 537 HZ1 LYS 71 1HZ LYS 71 -0.693 9.219 -12.033 538 HZ2 LYS 71 2HZ LYS 71 -2.046 10.198 -11.762 539 HZ3 LYS 71 3HZ LYS 71 -1.977 9.212 -13.135 540 H ILE 72 H ILE 72 -3.103 3.025 -8.821 541 HA ILE 72 HA ILE 72 -1.126 1.068 -8.185 542 HB ILE 72 HB ILE 72 -3.643 0.807 -9.834 543 HG12 ILE 72 1HG1 ILE 72 -4.037 1.498 -7.500 544 HG13 ILE 72 2HG1 ILE 72 -4.623 -0.135 -7.802 545 HG21 ILE 72 1HG2 ILE 72 -3.132 -1.663 -8.813 546 HG22 ILE 72 2HG2 ILE 72 -2.716 -1.142 -10.444 547 HG23 ILE 72 3HG2 ILE 72 -1.505 -1.080 -9.164 548 HD11 ILE 72 1HD1 ILE 72 -3.579 -0.260 -5.728 549 HD12 ILE 72 2HD1 ILE 72 -2.383 -0.910 -6.849 550 HD13 ILE 72 3HD1 ILE 72 -2.221 0.739 -6.246 551 H PHE 73 H PHE 73 0.744 1.308 -9.320 552 HA PHE 73 HA PHE 73 0.568 1.344 -12.254 553 HB2 PHE 73 1HB PHE 73 2.601 2.452 -12.335 554 HB3 PHE 73 2HB PHE 73 1.912 3.100 -10.850 555 HD1 PHE 73 1HD PHE 73 2.720 2.300 -8.661 556 HD2 PHE 73 2HD PHE 73 4.562 1.116 -12.311 557 HE1 PHE 73 1HE PHE 73 4.709 1.560 -7.414 558 HE2 PHE 73 2HE PHE 73 6.552 0.374 -11.071 559 HZ PHE 73 HZ PHE 73 6.627 0.594 -8.619 560 H ASP 74 H ASP 74 2.040 0.006 -13.469 561 HA ASP 74 HA ASP 74 2.283 -2.630 -12.308 562 HB2 ASP 74 1HB ASP 74 2.551 -1.470 -15.047 563 HB3 ASP 74 2HB ASP 74 3.315 -3.022 -14.714 564 HA PRO 75 HA PRO 75 6.489 -1.975 -11.035 565 HB2 PRO 75 1HB PRO 75 6.958 -4.528 -10.240 566 HB3 PRO 75 2HB PRO 75 6.009 -3.384 -9.284 567 HG2 PRO 75 1HG PRO 75 5.069 -5.556 -11.117 568 HG3 PRO 75 2HG PRO 75 4.458 -5.101 -9.516 569 HD2 PRO 75 1HD PRO 75 3.236 -4.345 -11.811 570 HD3 PRO 75 2HD PRO 75 3.227 -3.339 -10.348 571 H GLN 76 H GLN 76 5.366 -3.956 -13.575 572 HA GLN 76 HA GLN 76 7.915 -5.044 -14.335 573 HB2 GLN 76 1HB GLN 76 5.190 -4.979 -15.593 574 HB3 GLN 76 2HB GLN 76 6.586 -5.524 -16.513 575 HG2 GLN 76 1HG GLN 76 5.953 -6.707 -13.840 576 HG3 GLN 76 2HG GLN 76 5.136 -7.264 -15.300 577 HE21 GLN 76 1HE2 GLN 76 5.994 -9.244 -15.523 578 HE22 GLN 76 2HE2 GLN 76 7.678 -9.568 -15.734 579 H ASN 77 H ASN 77 8.270 -2.364 -14.005 580 HA ASN 77 HA ASN 77 8.513 -1.362 -16.766 581 HB2 ASN 77 1HB ASN 77 8.393 0.902 -15.882 582 HB3 ASN 77 2HB ASN 77 6.984 -0.014 -15.357 583 HD21 ASN 77 1HD2 ASN 77 9.519 1.942 -14.398 584 HD22 ASN 77 2HD2 ASN 77 9.405 1.699 -12.691 585 HA PRO 78 HA PRO 78 12.815 -2.075 -15.337 586 HB2 PRO 78 1HB PRO 78 13.751 -2.690 -17.810 587 HB3 PRO 78 2HB PRO 78 12.973 -3.876 -16.755 588 HG2 PRO 78 1HG PRO 78 11.821 -2.337 -19.050 589 HG3 PRO 78 2HG PRO 78 11.612 -4.048 -18.633 590 HD2 PRO 78 1HD PRO 78 9.749 -2.169 -18.056 591 HD3 PRO 78 2HD PRO 78 10.020 -3.592 -17.029 592 H ASP 79 H ASP 79 11.228 0.272 -17.016 593 HA ASP 79 HA ASP 79 13.159 1.643 -18.465 594 HB2 ASP 79 1HB ASP 79 10.791 2.650 -16.887 595 HB3 ASP 79 2HB ASP 79 11.784 3.700 -17.895 596 H GLU 80 H GLU 80 14.504 3.424 -17.958 597 HA GLU 80 HA GLU 80 15.385 3.449 -15.150 598 HB2 GLU 80 1HB GLU 80 16.847 3.762 -17.744 599 HB3 GLU 80 2HB GLU 80 17.501 4.500 -16.289 600 HG2 GLU 80 1HG GLU 80 17.951 2.483 -15.298 601 HG3 GLU 80 2HG GLU 80 16.720 1.629 -16.225 602 H ASN 81 H ASN 81 14.190 5.078 -14.276 603 HA ASN 81 HA ASN 81 14.931 7.767 -15.002 604 HB2 ASN 81 1HB ASN 81 13.131 7.541 -16.562 605 HB3 ASN 81 2HB ASN 81 12.093 6.793 -15.352 606 HD21 ASN 81 1HD2 ASN 81 13.996 9.763 -15.760 607 HD22 ASN 81 2HD2 ASN 81 12.782 10.825 -15.140 608 H GLU 82 H GLU 82 15.100 8.946 -13.208 609 HA GLU 82 HA GLU 82 13.267 8.690 -11.015 610 HB2 GLU 82 1HB GLU 82 14.607 6.807 -10.420 611 HB3 GLU 82 2HB GLU 82 16.097 7.683 -10.743 612 HG2 GLU 82 1HG GLU 82 15.775 9.076 -8.830 613 HG3 GLU 82 2HG GLU 82 14.163 8.415 -8.561 614 H SER 83 H SER 83 12.935 10.737 -10.489 615 HA SER 83 HA SER 83 15.090 12.453 -9.709 616 HB2 SER 83 1HB SER 83 15.026 12.622 -12.255 617 HB3 SER 83 2HB SER 83 13.459 13.408 -12.063 618 HG SER 83 HG SER 83 14.459 15.168 -11.533 619 H GLY 84 H GLY 84 14.197 14.719 -9.188 620 HA2 GLY 84 1HA GLY 84 11.361 14.608 -8.431 621 HA3 GLY 84 2HA GLY 84 12.559 14.895 -7.178 622 HA PRO 85 HA PRO 85 12.511 19.201 -7.965 623 HB2 PRO 85 1HB PRO 85 15.125 19.899 -7.744 624 HB3 PRO 85 2HB PRO 85 14.134 19.435 -6.356 625 HG2 PRO 85 1HG PRO 85 16.098 17.798 -7.913 626 HG3 PRO 85 2HG PRO 85 15.858 17.887 -6.158 627 HD2 PRO 85 1HD PRO 85 14.871 15.864 -7.663 628 HD3 PRO 85 2HD PRO 85 14.049 16.461 -6.206 629 H SER 86 H SER 86 12.820 20.781 -9.535 630 HA SER 86 HA SER 86 12.840 21.349 -11.775 631 HB2 SER 86 1HB SER 86 15.644 20.906 -10.847 632 HB3 SER 86 2HB SER 86 15.377 21.259 -12.554 633 HG SER 86 HG SER 86 15.341 22.936 -10.458 634 H SER 87 H SER 87 11.896 18.800 -11.655 635 HA SER 87 HA SER 87 13.220 16.769 -12.949 636 HB2 SER 87 1HB SER 87 10.984 15.955 -13.656 637 HB3 SER 87 2HB SER 87 11.011 16.457 -11.966 638 HG SER 87 HG SER 87 9.587 17.929 -12.414 639 H GLY 88 H GLY 88 13.868 16.342 -14.975 640 HA2 GLY 88 1HA GLY 88 12.702 17.694 -17.251 641 HA3 GLY 88 2HA GLY 88 14.351 18.183 -16.891 Start of MODEL 19 1 H1 GLY 1 H GLY 1 42.314 -4.398 -14.138 2 HA2 GLY 1 1HA GLY 1 41.197 -4.459 -11.480 3 HA3 GLY 1 2HA GLY 1 40.337 -4.089 -12.967 4 H SER 2 H SER 2 38.627 -5.398 -11.996 5 HA SER 2 HA SER 2 39.035 -8.245 -12.604 6 HB2 SER 2 1HB SER 2 37.766 -7.052 -10.143 7 HB3 SER 2 2HB SER 2 37.411 -8.698 -10.666 8 HG SER 2 HG SER 2 39.873 -7.605 -9.818 9 H SER 3 H SER 3 36.761 -9.366 -12.600 10 HA SER 3 HA SER 3 34.980 -7.660 -14.209 11 HB2 SER 3 1HB SER 3 36.154 -9.789 -15.187 12 HB3 SER 3 2HB SER 3 34.895 -10.658 -14.310 13 HG SER 3 HG SER 3 33.431 -9.934 -15.667 14 H GLY 4 H GLY 4 32.646 -8.642 -14.227 15 HA2 GLY 4 1HA GLY 4 31.851 -8.836 -11.406 16 HA3 GLY 4 2HA GLY 4 30.814 -8.334 -12.733 17 H SER 5 H SER 5 29.306 -9.874 -11.737 18 HA SER 5 HA SER 5 29.601 -12.489 -12.983 19 HB2 SER 5 1HB SER 5 29.138 -12.116 -10.016 20 HB3 SER 5 2HB SER 5 28.888 -13.639 -10.869 21 HG SER 5 HG SER 5 31.109 -12.826 -9.829 22 H SER 6 H SER 6 27.486 -13.805 -12.478 23 HA SER 6 HA SER 6 25.191 -11.964 -12.606 24 HB2 SER 6 1HB SER 6 25.698 -14.397 -14.334 25 HB3 SER 6 2HB SER 6 24.172 -13.514 -14.283 26 HG SER 6 HG SER 6 26.499 -12.051 -14.753 27 H GLY 7 H GLY 7 23.067 -13.328 -12.418 28 HA2 GLY 7 1HA GLY 7 23.436 -15.448 -10.405 29 HA3 GLY 7 2HA GLY 7 22.363 -14.096 -10.071 30 HA PRO 8 HA PRO 8 19.756 -17.450 -11.849 31 HB2 PRO 8 1HB PRO 8 17.663 -17.003 -10.179 32 HB3 PRO 8 2HB PRO 8 19.033 -18.033 -9.747 33 HG2 PRO 8 1HG PRO 8 18.495 -15.185 -8.999 34 HG3 PRO 8 2HG PRO 8 19.101 -16.512 -7.990 35 HD2 PRO 8 1HD PRO 8 20.730 -14.624 -9.045 36 HD3 PRO 8 2HD PRO 8 21.255 -16.299 -8.782 37 H LEU 9 H LEU 9 17.337 -17.226 -12.491 38 HA LEU 9 HA LEU 9 17.088 -14.697 -13.926 39 HB2 LEU 9 1HB LEU 9 15.490 -15.797 -15.311 40 HB3 LEU 9 2HB LEU 9 16.881 -16.862 -15.119 41 HG LEU 9 HG LEU 9 15.452 -17.976 -13.258 42 HD11 LEU 9 1HD1 LEU 9 13.008 -17.543 -14.641 43 HD12 LEU 9 2HD1 LEU 9 13.662 -15.977 -14.162 44 HD13 LEU 9 3HD1 LEU 9 13.391 -17.228 -12.948 45 HD21 LEU 9 1HD2 LEU 9 14.224 -19.286 -15.105 46 HD22 LEU 9 2HD2 LEU 9 15.988 -19.277 -15.110 47 HD23 LEU 9 3HD2 LEU 9 15.097 -18.236 -16.222 48 HA PRO 10 HA PRO 10 13.935 -13.071 -11.332 49 HB2 PRO 10 1HB PRO 10 12.580 -11.550 -13.126 50 HB3 PRO 10 2HB PRO 10 14.174 -11.109 -12.503 51 HG2 PRO 10 1HG PRO 10 13.449 -12.416 -15.097 52 HG3 PRO 10 2HG PRO 10 14.620 -11.121 -14.785 53 HD2 PRO 10 1HD PRO 10 15.360 -13.704 -15.122 54 HD3 PRO 10 2HD PRO 10 16.240 -12.590 -14.056 55 H SER 11 H SER 11 12.042 -13.812 -10.592 56 HA SER 11 HA SER 11 10.169 -15.053 -12.492 57 HB2 SER 11 1HB SER 11 9.696 -16.824 -10.855 58 HB3 SER 11 2HB SER 11 11.400 -16.830 -11.312 59 HG SER 11 HG SER 11 10.679 -15.298 -9.102 60 H THR 12 H THR 12 8.255 -14.104 -12.420 61 HA THR 12 HA THR 12 7.475 -12.675 -9.969 62 HB THR 12 HB THR 12 5.945 -11.367 -11.382 63 HG1 THR 12 1HG THR 12 6.510 -11.678 -13.777 64 HG21 THR 12 1HG2 THR 12 8.755 -11.405 -12.491 65 HG22 THR 12 2HG2 THR 12 8.261 -10.586 -11.009 66 HG23 THR 12 3HG2 THR 12 7.616 -10.061 -12.564 67 H GLN 13 H GLN 13 5.569 -13.106 -8.963 68 HA GLN 13 HA GLN 13 3.603 -14.833 -10.221 69 HB2 GLN 13 1HB GLN 13 5.348 -16.294 -9.070 70 HB3 GLN 13 2HB GLN 13 4.750 -15.637 -7.552 71 HG2 GLN 13 1HG GLN 13 2.459 -16.446 -8.272 72 HG3 GLN 13 2HG GLN 13 3.291 -17.344 -9.541 73 HE21 GLN 13 1HE2 GLN 13 2.521 -19.282 -8.617 74 HE22 GLN 13 2HE2 GLN 13 3.256 -19.952 -7.206 75 H ASN 14 H ASN 14 1.588 -14.923 -9.055 76 HA ASN 14 HA ASN 14 0.552 -12.578 -8.216 77 HB2 ASN 14 1HB ASN 14 -0.242 -15.204 -6.949 78 HB3 ASN 14 2HB ASN 14 -1.257 -13.787 -7.200 79 HD21 ASN 14 1HD2 ASN 14 -1.223 -16.701 -8.146 80 HD22 ASN 14 2HD2 ASN 14 -1.527 -16.572 -9.842 81 H GLY 15 H GLY 15 1.303 -11.199 -6.745 82 HA2 GLY 15 1HA GLY 15 1.820 -12.221 -4.035 83 HA3 GLY 15 2HA GLY 15 3.030 -11.215 -4.819 84 HA PRO 16 HA PRO 16 0.353 -8.390 -2.359 85 HB2 PRO 16 1HB PRO 16 2.404 -6.816 -1.532 86 HB3 PRO 16 2HB PRO 16 1.936 -8.301 -0.696 87 HG2 PRO 16 1HG PRO 16 4.155 -7.848 -2.653 88 HG3 PRO 16 2HG PRO 16 4.169 -8.773 -1.140 89 HD2 PRO 16 1HD PRO 16 3.944 -9.953 -3.567 90 HD3 PRO 16 2HD PRO 16 3.175 -10.613 -2.108 91 H VAL 17 H VAL 17 -0.454 -6.456 -3.025 92 HA VAL 17 HA VAL 17 0.345 -5.480 -5.602 93 HB VAL 17 HB VAL 17 -1.668 -4.327 -3.666 94 HG11 VAL 17 1HG1 VAL 17 -1.170 -2.618 -5.181 95 HG12 VAL 17 2HG1 VAL 17 -1.009 -3.740 -6.534 96 HG13 VAL 17 3HG1 VAL 17 -2.602 -3.390 -5.861 97 HG21 VAL 17 1HG2 VAL 17 -3.327 -5.455 -5.147 98 HG22 VAL 17 2HG2 VAL 17 -1.986 -6.280 -5.941 99 HG23 VAL 17 3HG2 VAL 17 -2.310 -6.567 -4.231 100 H PHE 18 H PHE 18 1.234 -3.492 -6.122 101 HA PHE 18 HA PHE 18 2.382 -1.972 -3.875 102 HB2 PHE 18 1HB PHE 18 3.657 -2.629 -6.537 103 HB3 PHE 18 2HB PHE 18 4.326 -1.487 -5.376 104 HD1 PHE 18 1HD PHE 18 5.041 -2.315 -3.127 105 HD2 PHE 18 2HD PHE 18 3.991 -4.943 -6.306 106 HE1 PHE 18 1HE PHE 18 6.205 -4.157 -1.984 107 HE2 PHE 18 2HE PHE 18 5.153 -6.789 -5.168 108 HZ PHE 18 HZ PHE 18 6.261 -6.398 -3.004 109 H ALA 19 H ALA 19 2.393 0.249 -4.029 110 HA ALA 19 HA ALA 19 1.350 1.494 -6.457 111 HB1 ALA 19 1HB ALA 19 -0.372 0.923 -4.409 112 HB2 ALA 19 2HB ALA 19 0.097 2.587 -4.056 113 HB3 ALA 19 3HB ALA 19 -0.607 2.183 -5.622 114 H LYS 20 H LYS 20 2.425 3.300 -6.922 115 HA LYS 20 HA LYS 20 4.327 4.344 -4.989 116 HB2 LYS 20 1HB LYS 20 5.287 4.112 -7.112 117 HB3 LYS 20 2HB LYS 20 3.867 4.752 -7.928 118 HG2 LYS 20 1HG LYS 20 4.369 6.979 -7.065 119 HG3 LYS 20 2HG LYS 20 5.791 6.338 -6.239 120 HD2 LYS 20 1HD LYS 20 5.374 6.133 -9.215 121 HD3 LYS 20 2HD LYS 20 6.231 7.472 -8.448 122 HE2 LYS 20 1HE LYS 20 6.977 4.568 -8.134 123 HE3 LYS 20 2HE LYS 20 7.716 5.662 -9.302 124 HZ1 LYS 20 1HZ LYS 20 8.972 6.592 -7.732 125 HZ2 LYS 20 2HZ LYS 20 8.581 5.256 -6.772 126 HZ3 LYS 20 3HZ LYS 20 7.701 6.692 -6.620 127 H ALA 21 H ALA 21 3.649 5.818 -3.583 128 HA ALA 21 HA ALA 21 1.312 7.330 -3.773 129 HB1 ALA 21 1HB ALA 21 2.005 7.288 -1.618 130 HB2 ALA 21 2HB ALA 21 3.714 7.369 -2.049 131 HB3 ALA 21 3HB ALA 21 2.728 8.831 -2.073 132 H ILE 22 H ILE 22 0.864 8.783 -5.291 133 HA ILE 22 HA ILE 22 2.926 10.264 -6.645 134 HB ILE 22 HB ILE 22 0.989 11.374 -7.806 135 HG12 ILE 22 1HG1 ILE 22 -0.709 9.276 -6.468 136 HG13 ILE 22 2HG1 ILE 22 -0.565 10.902 -5.812 137 HG21 ILE 22 1HG2 ILE 22 0.389 8.553 -8.210 138 HG22 ILE 22 2HG2 ILE 22 1.077 9.736 -9.321 139 HG23 ILE 22 3HG2 ILE 22 2.118 8.897 -8.171 140 HD11 ILE 22 1HD1 ILE 22 -1.181 11.451 -8.382 141 HD12 ILE 22 2HD1 ILE 22 -2.043 9.930 -8.146 142 HD13 ILE 22 3HD1 ILE 22 -2.362 11.299 -7.081 143 H GLN 23 H GLN 23 0.819 10.784 -3.962 144 HA GLN 23 HA GLN 23 1.658 13.606 -3.861 145 HB2 GLN 23 1HB GLN 23 -0.932 12.292 -3.128 146 HB3 GLN 23 2HB GLN 23 -0.441 13.769 -2.309 147 HG2 GLN 23 1HG GLN 23 -0.957 13.380 -5.243 148 HG3 GLN 23 2HG GLN 23 -1.867 14.373 -4.106 149 HE21 GLN 23 1HE2 GLN 23 -0.786 16.236 -3.201 150 HE22 GLN 23 2HE2 GLN 23 0.419 17.055 -4.130 151 H LYS 24 H LYS 24 1.524 14.456 -1.513 152 HA LYS 24 HA LYS 24 3.169 12.681 0.101 153 HB2 LYS 24 1HB LYS 24 3.656 15.164 -0.342 154 HB3 LYS 24 2HB LYS 24 2.370 15.497 0.810 155 HG2 LYS 24 1HG LYS 24 3.575 14.330 2.549 156 HG3 LYS 24 2HG LYS 24 4.836 13.873 1.401 157 HD2 LYS 24 1HD LYS 24 5.812 15.711 2.357 158 HD3 LYS 24 2HD LYS 24 4.955 16.480 1.019 159 HE2 LYS 24 1HE LYS 24 3.049 16.881 2.603 160 HE3 LYS 24 2HE LYS 24 4.098 16.319 3.903 161 HZ1 LYS 24 1HZ LYS 24 4.185 18.810 2.390 162 HZ2 LYS 24 2HZ LYS 24 5.672 18.135 2.828 163 HZ3 LYS 24 3HZ LYS 24 4.536 18.521 4.020 164 H ARG 25 H ARG 25 2.330 11.432 1.624 165 HA ARG 25 HA ARG 25 -0.312 12.106 2.714 166 HB2 ARG 25 1HB ARG 25 1.182 9.529 2.371 167 HB3 ARG 25 2HB ARG 25 -0.101 9.650 3.567 168 HG2 ARG 25 1HG ARG 25 -0.613 10.492 0.751 169 HG3 ARG 25 2HG ARG 25 -0.629 8.781 1.183 170 HD2 ARG 25 1HD ARG 25 -2.863 9.925 1.256 171 HD3 ARG 25 2HD ARG 25 -2.389 9.106 2.743 172 HE ARG 25 HE ARG 25 -2.586 11.986 2.320 173 HH11 ARG 25 2HH1 ARG 25 -1.758 9.329 4.412 174 HH12 ARG 25 1HH1 ARG 25 -1.785 10.287 5.856 175 HH21 ARG 25 2HH2 ARG 25 -2.626 13.257 4.213 176 HH22 ARG 25 1HH2 ARG 25 -2.280 12.521 5.741 177 H VAL 26 H VAL 26 -0.292 13.104 4.610 178 HA VAL 26 HA VAL 26 1.681 12.254 6.625 179 HB VAL 26 HB VAL 26 0.769 15.087 6.105 180 HG11 VAL 26 1HG1 VAL 26 1.427 14.002 8.533 181 HG12 VAL 26 2HG1 VAL 26 2.967 14.662 7.979 182 HG13 VAL 26 3HG1 VAL 26 1.552 15.708 8.106 183 HG21 VAL 26 1HG2 VAL 26 3.517 13.866 5.872 184 HG22 VAL 26 2HG2 VAL 26 2.448 14.206 4.511 185 HG23 VAL 26 3HG2 VAL 26 3.064 15.530 5.501 186 HA PRO 27 HA PRO 27 -2.104 11.530 8.875 187 HB2 PRO 27 1HB PRO 27 -0.904 10.566 11.111 188 HB3 PRO 27 2HB PRO 27 -1.104 9.608 9.639 189 HG2 PRO 27 1HG PRO 27 1.302 11.095 10.620 190 HG3 PRO 27 2HG PRO 27 1.204 9.479 9.897 191 HD2 PRO 27 1HD PRO 27 1.974 11.659 8.489 192 HD3 PRO 27 2HD PRO 27 1.091 10.308 7.750 193 H CYS 28 H CYS 28 -3.148 12.386 10.725 194 HA CYS 28 HA CYS 28 -2.323 15.035 11.407 195 HB2 CYS 28 1HB CYS 28 -4.654 13.289 12.015 196 HB3 CYS 28 2HB CYS 28 -4.337 14.623 13.118 197 HG CYS 28 HG CYS 28 -6.004 14.717 10.383 198 H ALA 29 H ALA 29 -2.400 15.724 13.788 199 HA ALA 29 HA ALA 29 -0.205 14.810 15.139 200 HB1 ALA 29 1HB ALA 29 -1.124 16.861 15.823 201 HB2 ALA 29 2HB ALA 29 -2.697 16.139 16.163 202 HB3 ALA 29 3HB ALA 29 -1.320 15.785 17.206 203 H TYR 30 H TYR 30 -3.580 13.875 15.815 204 HA TYR 30 HA TYR 30 -2.560 11.563 17.318 205 HB2 TYR 30 1HB TYR 30 -5.037 11.478 18.088 206 HB3 TYR 30 2HB TYR 30 -3.984 12.720 18.756 207 HD1 TYR 30 2HD TYR 30 -4.209 15.062 18.021 208 HD2 TYR 30 1HD TYR 30 -6.889 12.046 16.673 209 HE1 TYR 30 2HE TYR 30 -5.782 16.801 17.280 210 HE2 TYR 30 1HE TYR 30 -8.470 13.776 15.926 211 HH TYR 30 HH TYR 30 -8.032 17.129 16.717 212 H ASP 31 H ASP 31 -2.256 11.080 14.766 213 HA ASP 31 HA ASP 31 -4.542 9.368 14.041 214 HB2 ASP 31 1HB ASP 31 -3.959 11.505 12.590 215 HB3 ASP 31 2HB ASP 31 -2.733 10.435 11.917 216 H LYS 32 H LYS 32 -3.393 7.727 15.269 217 HA LYS 32 HA LYS 32 -0.816 6.822 14.412 218 HB2 LYS 32 1HB LYS 32 -2.886 5.402 16.098 219 HB3 LYS 32 2HB LYS 32 -1.195 4.947 15.939 220 HG2 LYS 32 1HG LYS 32 -0.739 7.352 16.811 221 HG3 LYS 32 2HG LYS 32 -2.405 7.259 17.387 222 HD2 LYS 32 1HD LYS 32 -1.595 4.940 18.337 223 HD3 LYS 32 2HD LYS 32 -0.007 5.704 18.234 224 HE2 LYS 32 1HE LYS 32 -0.742 7.520 19.641 225 HE3 LYS 32 2HE LYS 32 -2.390 6.893 19.649 226 HZ1 LYS 32 1HZ LYS 32 -1.596 6.095 21.623 227 HZ2 LYS 32 2HZ LYS 32 -0.016 5.893 21.054 228 HZ3 LYS 32 3HZ LYS 32 -1.222 4.791 20.612 229 H THR 33 H THR 33 -4.147 5.909 13.751 230 HA THR 33 HA THR 33 -3.576 3.504 12.369 231 HB THR 33 HB THR 33 -5.866 3.726 11.436 232 HG1 THR 33 1HG THR 33 -6.245 6.032 13.006 233 HG21 THR 33 1HG2 THR 33 -6.377 2.717 13.359 234 HG22 THR 33 2HG2 THR 33 -6.736 4.308 14.031 235 HG23 THR 33 3HG2 THR 33 -5.127 3.612 14.222 236 H ALA 34 H ALA 34 -3.616 6.860 11.425 237 HA ALA 34 HA ALA 34 -3.635 6.358 8.601 238 HB1 ALA 34 1HB ALA 34 -2.893 8.855 10.122 239 HB2 ALA 34 2HB ALA 34 -3.175 8.748 8.384 240 HB3 ALA 34 3HB ALA 34 -4.497 8.450 9.511 241 H LEU 35 H LEU 35 -1.979 5.522 7.527 242 HA LEU 35 HA LEU 35 0.670 5.455 8.620 243 HB2 LEU 35 1HB LEU 35 -0.610 3.781 7.032 244 HB3 LEU 35 2HB LEU 35 0.119 4.778 5.775 245 HG LEU 35 HG LEU 35 1.614 3.252 7.906 246 HD11 LEU 35 1HD1 LEU 35 2.047 1.614 6.374 247 HD12 LEU 35 2HD1 LEU 35 1.819 2.687 4.993 248 HD13 LEU 35 3HD1 LEU 35 0.420 2.078 5.877 249 HD21 LEU 35 1HD2 LEU 35 3.104 4.908 7.480 250 HD22 LEU 35 2HD2 LEU 35 2.416 5.275 5.898 251 HD23 LEU 35 3HD2 LEU 35 3.472 3.876 6.098 252 H ALA 36 H ALA 36 2.451 6.604 8.029 253 HA ALA 36 HA ALA 36 1.964 8.999 6.422 254 HB1 ALA 36 1HB ALA 36 4.088 8.247 8.406 255 HB2 ALA 36 2HB ALA 36 4.256 9.648 7.347 256 HB3 ALA 36 3HB ALA 36 2.914 9.561 8.488 257 H LEU 37 H LEU 37 2.911 9.381 4.500 258 HA LEU 37 HA LEU 37 5.133 7.699 3.624 259 HB2 LEU 37 1HB LEU 37 2.673 8.096 1.933 260 HB3 LEU 37 2HB LEU 37 4.089 7.121 1.545 261 HG LEU 37 HG LEU 37 2.411 6.447 3.930 262 HD11 LEU 37 1HD1 LEU 37 0.788 6.625 2.174 263 HD12 LEU 37 2HD1 LEU 37 1.117 4.917 2.464 264 HD13 LEU 37 3HD1 LEU 37 1.822 5.725 1.064 265 HD21 LEU 37 1HD2 LEU 37 3.168 4.125 3.010 266 HD22 LEU 37 2HD2 LEU 37 4.298 5.129 3.919 267 HD23 LEU 37 3HD2 LEU 37 4.384 5.077 2.158 268 H GLU 38 H GLU 38 6.050 8.496 1.520 269 HA GLU 38 HA GLU 38 5.805 11.430 1.371 270 HB2 GLU 38 1HB GLU 38 8.158 11.472 0.656 271 HB3 GLU 38 2HB GLU 38 7.972 10.758 2.252 272 HG2 GLU 38 1HG GLU 38 7.963 8.507 1.012 273 HG3 GLU 38 2HG GLU 38 8.630 9.421 -0.340 274 H VAL 39 H VAL 39 6.783 12.217 -0.836 275 HA VAL 39 HA VAL 39 5.102 11.107 -2.879 276 HB VAL 39 HB VAL 39 7.200 13.271 -3.097 277 HG11 VAL 39 1HG1 VAL 39 6.736 12.422 -5.271 278 HG12 VAL 39 2HG1 VAL 39 5.000 12.389 -4.956 279 HG13 VAL 39 3HG1 VAL 39 5.842 13.933 -5.103 280 HG21 VAL 39 1HG2 VAL 39 5.028 14.696 -3.145 281 HG22 VAL 39 2HG2 VAL 39 4.307 13.305 -2.335 282 HG23 VAL 39 3HG2 VAL 39 5.670 14.147 -1.597 283 H GLY 40 H GLY 40 5.681 9.211 -3.756 284 HA2 GLY 40 1HA GLY 40 6.998 8.213 -5.525 285 HA3 GLY 40 2HA GLY 40 8.409 9.020 -4.859 286 H ASP 41 H ASP 41 6.048 7.382 -2.867 287 HA ASP 41 HA ASP 41 8.106 5.386 -2.197 288 HB2 ASP 41 1HB ASP 41 7.048 7.080 -0.460 289 HB3 ASP 41 2HB ASP 41 5.755 5.885 -0.423 290 H ILE 42 H ILE 42 7.644 3.236 -2.261 291 HA ILE 42 HA ILE 42 5.177 2.491 -3.629 292 HB ILE 42 HB ILE 42 7.757 1.034 -3.115 293 HG12 ILE 42 1HG1 ILE 42 7.796 0.905 -5.578 294 HG13 ILE 42 2HG1 ILE 42 6.257 1.756 -5.642 295 HG21 ILE 42 1HG2 ILE 42 6.472 -0.811 -2.889 296 HG22 ILE 42 2HG2 ILE 42 5.084 -0.074 -3.690 297 HG23 ILE 42 3HG2 ILE 42 6.419 -0.713 -4.649 298 HD11 ILE 42 1HD1 ILE 42 8.172 3.209 -6.123 299 HD12 ILE 42 2HD1 ILE 42 7.273 3.730 -4.698 300 HD13 ILE 42 3HD1 ILE 42 8.807 2.881 -4.511 301 H VAL 43 H VAL 43 3.635 2.571 -2.005 302 HA VAL 43 HA VAL 43 3.974 1.330 0.536 303 HB VAL 43 HB VAL 43 1.346 1.985 -0.791 304 HG11 VAL 43 1HG1 VAL 43 0.822 0.830 1.130 305 HG12 VAL 43 2HG1 VAL 43 2.238 1.422 2.001 306 HG13 VAL 43 3HG1 VAL 43 0.861 2.489 1.725 307 HG21 VAL 43 1HG2 VAL 43 1.551 4.199 -0.289 308 HG22 VAL 43 2HG2 VAL 43 2.659 3.908 1.052 309 HG23 VAL 43 3HG2 VAL 43 3.245 3.827 -0.609 310 H LYS 44 H LYS 44 4.342 -0.805 0.608 311 HA LYS 44 HA LYS 44 3.037 -2.633 -1.208 312 HB2 LYS 44 1HB LYS 44 5.350 -3.039 -0.548 313 HB3 LYS 44 2HB LYS 44 4.874 -3.128 1.143 314 HG2 LYS 44 1HG LYS 44 3.302 -5.044 0.237 315 HG3 LYS 44 2HG LYS 44 4.521 -5.110 -1.038 316 HD2 LYS 44 1HD LYS 44 5.447 -6.576 0.451 317 HD3 LYS 44 2HD LYS 44 6.168 -5.073 1.034 318 HE2 LYS 44 1HE LYS 44 4.371 -4.883 2.702 319 HE3 LYS 44 2HE LYS 44 3.695 -6.409 2.133 320 HZ1 LYS 44 1HZ LYS 44 5.967 -7.371 2.678 321 HZ2 LYS 44 2HZ LYS 44 4.968 -6.973 3.984 322 HZ3 LYS 44 3HZ LYS 44 6.245 -5.950 3.555 323 H VAL 45 H VAL 45 0.951 -3.062 -0.868 324 HA VAL 45 HA VAL 45 0.032 -3.479 1.898 325 HB VAL 45 HB VAL 45 -1.248 -1.744 0.903 326 HG11 VAL 45 1HG1 VAL 45 -2.473 -2.098 -1.246 327 HG12 VAL 45 2HG1 VAL 45 -0.718 -2.031 -1.412 328 HG13 VAL 45 3HG1 VAL 45 -1.551 -3.585 -1.464 329 HG21 VAL 45 1HG2 VAL 45 -2.411 -4.226 1.638 330 HG22 VAL 45 2HG2 VAL 45 -3.087 -2.605 1.800 331 HG23 VAL 45 3HG2 VAL 45 -3.374 -3.537 0.331 332 H THR 46 H THR 46 -0.657 -5.430 2.519 333 HA THR 46 HA THR 46 -0.928 -7.513 0.452 334 HB THR 46 HB THR 46 -0.204 -9.147 2.027 335 HG1 THR 46 1HG THR 46 0.145 -7.268 4.088 336 HG21 THR 46 1HG2 THR 46 1.405 -6.927 1.332 337 HG22 THR 46 2HG2 THR 46 1.923 -8.571 1.702 338 HG23 THR 46 3HG2 THR 46 1.816 -7.369 2.988 339 H ARG 47 H ARG 47 -2.340 -6.128 3.357 340 HA ARG 47 HA ARG 47 -4.630 -7.943 3.148 341 HB2 ARG 47 1HB ARG 47 -3.487 -6.249 5.312 342 HB3 ARG 47 2HB ARG 47 -5.224 -6.523 5.325 343 HG2 ARG 47 1HG ARG 47 -4.567 -9.024 5.076 344 HG3 ARG 47 2HG ARG 47 -2.997 -8.478 5.671 345 HD2 ARG 47 1HD ARG 47 -4.138 -9.107 7.604 346 HD3 ARG 47 2HD ARG 47 -4.326 -7.354 7.556 347 HE ARG 47 HE ARG 47 -6.577 -7.655 7.359 348 HH11 ARG 47 2HH1 ARG 47 -4.974 -10.607 6.443 349 HH12 ARG 47 1HH1 ARG 47 -6.445 -11.506 6.271 350 HH21 ARG 47 2HH2 ARG 47 -8.521 -8.828 7.136 351 HH22 ARG 47 1HH2 ARG 47 -8.462 -10.493 6.665 352 H MET 48 H MET 48 -6.406 -7.312 2.128 353 HA MET 48 HA MET 48 -6.924 -4.422 1.870 354 HB2 MET 48 1HB MET 48 -7.145 -6.653 -0.100 355 HB3 MET 48 2HB MET 48 -8.283 -5.318 -0.217 356 HG2 MET 48 1HG MET 48 -6.602 -4.655 -1.636 357 HG3 MET 48 2HG MET 48 -6.174 -3.829 -0.140 358 HE1 MET 48 1HE MET 48 -3.594 -3.703 -1.663 359 HE2 MET 48 2HE MET 48 -2.972 -5.225 -2.302 360 HE3 MET 48 3HE MET 48 -4.547 -4.626 -2.825 361 H ASN 49 H ASN 49 -8.579 -3.837 3.103 362 HA ASN 49 HA ASN 49 -10.545 -5.735 4.003 363 HB2 ASN 49 1HB ASN 49 -10.358 -2.740 4.401 364 HB3 ASN 49 2HB ASN 49 -11.505 -3.799 5.216 365 HD21 ASN 49 1HD2 ASN 49 -9.097 -2.073 6.012 366 HD22 ASN 49 2HD2 ASN 49 -8.199 -3.109 7.064 367 H ILE 50 H ILE 50 -12.844 -5.481 3.722 368 HA ILE 50 HA ILE 50 -13.512 -4.766 0.996 369 HB ILE 50 HB ILE 50 -15.733 -5.709 1.514 370 HG12 ILE 50 1HG1 ILE 50 -14.657 -6.576 4.182 371 HG13 ILE 50 2HG1 ILE 50 -15.480 -5.030 4.012 372 HG21 ILE 50 1HG2 ILE 50 -14.192 -7.905 2.551 373 HG22 ILE 50 2HG2 ILE 50 -14.901 -7.690 0.951 374 HG23 ILE 50 3HG2 ILE 50 -13.293 -7.053 1.295 375 HD11 ILE 50 1HD1 ILE 50 -17.003 -6.745 4.782 376 HD12 ILE 50 2HD1 ILE 50 -17.462 -6.188 3.173 377 HD13 ILE 50 3HD1 ILE 50 -16.635 -7.733 3.369 378 H ASN 51 H ASN 51 -12.812 -2.518 2.450 379 HA ASN 51 HA ASN 51 -15.386 -1.101 2.564 380 HB2 ASN 51 1HB ASN 51 -14.927 -0.073 4.573 381 HB3 ASN 51 2HB ASN 51 -14.145 -1.629 4.840 382 HD21 ASN 51 1HD2 ASN 51 -11.938 -1.745 4.959 383 HD22 ASN 51 2HD2 ASN 51 -10.923 -0.349 5.038 384 H GLY 52 H GLY 52 -11.894 -0.923 2.080 385 HA2 GLY 52 1HA GLY 52 -11.634 0.423 -0.167 386 HA3 GLY 52 2HA GLY 52 -12.155 1.734 0.882 387 H GLN 53 H GLN 53 -10.799 1.011 3.226 388 HA GLN 53 HA GLN 53 -8.159 1.950 2.555 389 HB2 GLN 53 1HB GLN 53 -9.548 1.340 5.157 390 HB3 GLN 53 2HB GLN 53 -7.850 1.789 5.089 391 HG2 GLN 53 1HG GLN 53 -8.857 3.807 5.505 392 HG3 GLN 53 2HG GLN 53 -8.708 3.835 3.748 393 HE21 GLN 53 1HE2 GLN 53 -10.851 3.742 6.435 394 HE22 GLN 53 2HE2 GLN 53 -12.325 3.885 5.545 395 H TRP 54 H TRP 54 -6.373 0.770 2.327 396 HA TRP 54 HA TRP 54 -6.518 -2.090 2.988 397 HB2 TRP 54 1HB TRP 54 -4.408 -0.878 1.229 398 HB3 TRP 54 2HB TRP 54 -5.029 -2.527 1.241 399 HD1 TRP 54 HD TRP 54 -8.139 -1.841 0.981 400 HE1 TRP 54 1HE TRP 54 -9.045 -0.962 -1.262 401 HE3 TRP 54 3HE TRP 54 -3.774 -0.098 -1.030 402 HZ2 TRP 54 2HZ TRP 54 -8.042 0.303 -3.578 403 HZ3 TRP 54 3HZ TRP 54 -3.833 0.932 -3.264 404 HH2 TRP 54 HH TRP 54 -5.924 1.127 -4.510 405 H GLU 55 H GLU 55 -4.623 -3.130 3.865 406 HA GLU 55 HA GLU 55 -3.161 -1.346 5.677 407 HB2 GLU 55 1HB GLU 55 -4.538 -3.421 6.438 408 HB3 GLU 55 2HB GLU 55 -3.148 -4.339 5.875 409 HG2 GLU 55 1HG GLU 55 -1.703 -3.159 7.413 410 HG3 GLU 55 2HG GLU 55 -3.050 -2.151 7.939 411 H GLY 56 H GLY 56 -1.156 -0.804 5.151 412 HA2 GLY 56 1HA GLY 56 0.498 -2.786 3.721 413 HA3 GLY 56 2HA GLY 56 0.456 -1.106 3.208 414 H GLU 57 H GLU 57 2.824 -2.408 3.889 415 HA GLU 57 HA GLU 57 3.521 -1.104 6.439 416 HB2 GLU 57 1HB GLU 57 3.696 -3.594 6.449 417 HB3 GLU 57 2HB GLU 57 4.898 -3.476 5.171 418 HG2 GLU 57 1HG GLU 57 6.161 -1.944 6.820 419 HG3 GLU 57 2HG GLU 57 5.108 -2.662 8.037 420 H VAL 58 H VAL 58 4.743 0.637 6.209 421 HA VAL 58 HA VAL 58 6.830 0.669 4.154 422 HB VAL 58 HB VAL 58 4.820 2.889 4.550 423 HG11 VAL 58 1HG1 VAL 58 7.204 3.620 4.190 424 HG12 VAL 58 2HG1 VAL 58 7.122 2.837 2.610 425 HG13 VAL 58 3HG1 VAL 58 6.046 4.184 2.986 426 HG21 VAL 58 1HG2 VAL 58 4.035 2.423 2.383 427 HG22 VAL 58 2HG2 VAL 58 5.409 1.380 2.018 428 HG23 VAL 58 3HG2 VAL 58 4.180 0.849 3.165 429 H ASN 59 H ASN 59 8.712 1.377 4.928 430 HA ASN 59 HA ASN 59 10.271 2.130 6.409 431 HB2 ASN 59 1HB ASN 59 8.217 4.281 6.268 432 HB3 ASN 59 2HB ASN 59 9.443 4.410 7.526 433 HD21 ASN 59 1HD2 ASN 59 9.129 3.763 4.057 434 HD22 ASN 59 2HD2 ASN 59 10.550 4.630 3.592 435 H GLY 60 H GLY 60 8.848 0.103 7.499 436 HA2 GLY 60 1HA GLY 60 8.316 -0.886 9.501 437 HA3 GLY 60 2HA GLY 60 9.290 0.376 10.239 438 H ARG 61 H ARG 61 6.333 0.845 8.375 439 HA ARG 61 HA ARG 61 4.858 1.452 10.826 440 HB2 ARG 61 1HB ARG 61 5.356 3.378 8.563 441 HB3 ARG 61 2HB ARG 61 3.991 3.556 9.657 442 HG2 ARG 61 1HG ARG 61 6.720 3.276 10.808 443 HG3 ARG 61 2HG ARG 61 6.246 4.815 10.087 444 HD2 ARG 61 1HD ARG 61 4.669 5.236 11.687 445 HD3 ARG 61 2HD ARG 61 4.362 3.526 11.986 446 HE ARG 61 HE ARG 61 6.887 3.891 12.906 447 HH11 ARG 61 2HH1 ARG 61 3.845 5.476 13.503 448 HH12 ARG 61 1HH1 ARG 61 4.243 5.912 15.132 449 HH21 ARG 61 2HH2 ARG 61 7.423 4.460 15.049 450 HH22 ARG 61 1HH2 ARG 61 6.279 5.335 16.010 451 H LYS 62 H LYS 62 2.963 0.461 10.755 452 HA LYS 62 HA LYS 62 1.799 -0.170 8.126 453 HB2 LYS 62 1HB LYS 62 1.205 -1.535 10.753 454 HB3 LYS 62 2HB LYS 62 0.720 -2.061 9.146 455 HG2 LYS 62 1HG LYS 62 2.488 -3.449 9.510 456 HG3 LYS 62 2HG LYS 62 3.316 -2.097 8.733 457 HD2 LYS 62 1HD LYS 62 4.092 -1.264 10.818 458 HD3 LYS 62 2HD LYS 62 3.036 -2.353 11.721 459 HE2 LYS 62 1HE LYS 62 5.024 -3.537 9.852 460 HE3 LYS 62 2HE LYS 62 5.607 -2.871 11.376 461 HZ1 LYS 62 1HZ LYS 62 3.445 -4.894 11.152 462 HZ2 LYS 62 2HZ LYS 62 4.159 -4.329 12.578 463 HZ3 LYS 62 3HZ LYS 62 5.062 -5.258 11.491 464 H GLY 63 H GLY 63 0.184 1.135 7.579 465 HA2 GLY 63 1HA GLY 63 -1.958 1.630 9.483 466 HA3 GLY 63 2HA GLY 63 -1.096 3.056 8.927 467 H LEU 64 H LEU 64 -3.726 2.983 8.447 468 HA LEU 64 HA LEU 64 -4.261 1.862 5.834 469 HB2 LEU 64 1HB LEU 64 -5.941 3.664 7.572 470 HB3 LEU 64 2HB LEU 64 -6.484 2.847 6.107 471 HG LEU 64 HG LEU 64 -5.631 1.488 8.664 472 HD11 LEU 64 1HD1 LEU 64 -7.676 2.217 9.289 473 HD12 LEU 64 2HD1 LEU 64 -8.205 0.826 8.344 474 HD13 LEU 64 3HD1 LEU 64 -8.230 2.438 7.629 475 HD21 LEU 64 1HD2 LEU 64 -6.894 0.315 6.190 476 HD22 LEU 64 2HD2 LEU 64 -6.370 -0.552 7.634 477 HD23 LEU 64 3HD2 LEU 64 -5.177 0.211 6.581 478 H PHE 65 H PHE 65 -3.994 2.868 3.954 479 HA PHE 65 HA PHE 65 -3.676 5.797 3.969 480 HB2 PHE 65 1HB PHE 65 -2.073 5.550 2.115 481 HB3 PHE 65 2HB PHE 65 -1.524 4.713 3.563 482 HD1 PHE 65 1HD PHE 65 -1.435 2.297 3.649 483 HD2 PHE 65 2HD PHE 65 -2.743 4.328 0.144 484 HE1 PHE 65 1HE PHE 65 -1.176 0.221 2.353 485 HE2 PHE 65 2HE PHE 65 -2.487 2.256 -1.156 486 HZ PHE 65 HZ PHE 65 -1.703 0.198 -0.052 487 HA PRO 66 HA PRO 66 -6.993 5.912 1.076 488 HB2 PRO 66 1HB PRO 66 -6.488 8.329 -0.052 489 HB3 PRO 66 2HB PRO 66 -7.150 8.149 1.577 490 HG2 PRO 66 1HG PRO 66 -4.328 8.671 0.727 491 HG3 PRO 66 2HG PRO 66 -5.253 9.409 2.048 492 HD2 PRO 66 1HD PRO 66 -3.447 7.433 2.459 493 HD3 PRO 66 2HD PRO 66 -4.902 7.621 3.459 494 H PHE 67 H PHE 67 -7.110 4.785 -0.752 495 HA PHE 67 HA PHE 67 -4.925 4.291 -2.454 496 HB2 PHE 67 1HB PHE 67 -6.750 3.414 -4.026 497 HB3 PHE 67 2HB PHE 67 -6.624 2.657 -2.442 498 HD1 PHE 67 2HD PHE 67 -8.565 5.040 -4.475 499 HD2 PHE 67 1HD PHE 67 -8.401 2.759 -0.886 500 HE1 PHE 67 2HE PHE 67 -10.939 5.532 -4.058 501 HE2 PHE 67 1HE PHE 67 -10.776 3.246 -0.464 502 HZ PHE 67 HZ PHE 67 -12.048 4.636 -2.050 503 H THR 68 H THR 68 -7.601 6.578 -2.646 504 HA THR 68 HA THR 68 -7.269 7.475 -5.258 505 HB THR 68 HB THR 68 -9.198 8.265 -4.217 506 HG1 THR 68 1HG THR 68 -7.418 10.487 -4.060 507 HG21 THR 68 1HG2 THR 68 -9.322 8.461 -2.002 508 HG22 THR 68 2HG2 THR 68 -8.315 9.907 -2.071 509 HG23 THR 68 3HG2 THR 68 -7.568 8.320 -1.887 510 H HIS 69 H HIS 69 -5.169 7.794 -2.614 511 HA HIS 69 HA HIS 69 -3.876 10.201 -3.616 512 HB2 HIS 69 1HB HIS 69 -3.653 8.536 -1.153 513 HB3 HIS 69 2HB HIS 69 -2.248 9.479 -1.640 514 HD1 HIS 69 1HD HIS 69 -5.976 10.211 -1.285 515 HD2 HIS 69 2HD HIS 69 -2.270 11.871 -0.406 516 HE1 HIS 69 1HE HIS 69 -6.471 12.392 -0.134 517 HE2 HIS 69 2HE HIS 69 -4.215 13.417 0.312 518 H VAL 70 H VAL 70 -3.414 6.740 -3.557 519 HA VAL 70 HA VAL 70 -0.782 7.027 -4.825 520 HB VAL 70 HB VAL 70 -0.326 4.783 -4.273 521 HG11 VAL 70 1HG1 VAL 70 -0.422 4.779 -1.938 522 HG12 VAL 70 2HG1 VAL 70 -0.500 6.490 -2.366 523 HG13 VAL 70 3HG1 VAL 70 -1.968 5.626 -1.908 524 HG21 VAL 70 1HG2 VAL 70 -3.161 4.468 -4.532 525 HG22 VAL 70 2HG2 VAL 70 -1.901 3.233 -4.513 526 HG23 VAL 70 3HG2 VAL 70 -2.624 3.778 -2.999 527 H LYS 71 H LYS 71 -0.288 5.593 -6.657 528 HA LYS 71 HA LYS 71 -2.649 4.992 -8.308 529 HB2 LYS 71 1HB LYS 71 -1.533 7.124 -9.003 530 HB3 LYS 71 2HB LYS 71 -0.077 6.198 -9.341 531 HG2 LYS 71 1HG LYS 71 -1.372 4.862 -10.983 532 HG3 LYS 71 2HG LYS 71 -2.746 5.935 -10.706 533 HD2 LYS 71 1HD LYS 71 -0.059 7.005 -11.512 534 HD3 LYS 71 2HD LYS 71 -1.215 6.420 -12.712 535 HE2 LYS 71 1HE LYS 71 -1.834 8.531 -10.651 536 HE3 LYS 71 2HE LYS 71 -1.304 8.883 -12.295 537 HZ1 LYS 71 1HZ LYS 71 -3.629 7.135 -11.887 538 HZ2 LYS 71 2HZ LYS 71 -3.274 8.165 -13.181 539 HZ3 LYS 71 3HZ LYS 71 -3.823 8.807 -11.716 540 H ILE 72 H ILE 72 -2.679 2.982 -9.072 541 HA ILE 72 HA ILE 72 -0.601 1.142 -8.490 542 HB ILE 72 HB ILE 72 -2.975 0.822 -10.329 543 HG12 ILE 72 1HG1 ILE 72 -3.568 1.344 -7.986 544 HG13 ILE 72 2HG1 ILE 72 -4.040 -0.290 -8.439 545 HG21 ILE 72 1HG2 ILE 72 -2.233 -1.651 -9.274 546 HG22 ILE 72 2HG2 ILE 72 -2.040 -1.100 -10.937 547 HG23 ILE 72 3HG2 ILE 72 -0.725 -0.891 -9.781 548 HD11 ILE 72 1HD1 ILE 72 -2.029 -1.148 -7.311 549 HD12 ILE 72 2HD1 ILE 72 -1.645 0.495 -6.799 550 HD13 ILE 72 3HD1 ILE 72 -3.116 -0.288 -6.222 551 H PHE 73 H PHE 73 1.056 0.410 -9.688 552 HA PHE 73 HA PHE 73 1.128 0.869 -12.555 553 HB2 PHE 73 1HB PHE 73 3.137 2.138 -12.587 554 HB3 PHE 73 2HB PHE 73 2.085 2.928 -11.417 555 HD1 PHE 73 1HD PHE 73 2.377 1.806 -8.945 556 HD2 PHE 73 2HD PHE 73 5.339 2.035 -11.993 557 HE1 PHE 73 1HE PHE 73 4.141 1.633 -7.239 558 HE2 PHE 73 2HE PHE 73 7.108 1.861 -10.292 559 HZ PHE 73 HZ PHE 73 6.510 1.659 -7.911 560 H ASP 74 H ASP 74 3.377 0.038 -13.395 561 HA ASP 74 HA ASP 74 3.836 -2.551 -12.075 562 HB2 ASP 74 1HB ASP 74 3.855 -1.664 -14.925 563 HB3 ASP 74 2HB ASP 74 4.922 -2.985 -14.458 564 HA PRO 75 HA PRO 75 7.735 -0.274 -11.244 565 HB2 PRO 75 1HB PRO 75 8.198 -1.517 -8.875 566 HB3 PRO 75 2HB PRO 75 7.152 -0.100 -9.029 567 HG2 PRO 75 1HG PRO 75 6.408 -2.995 -8.862 568 HG3 PRO 75 2HG PRO 75 5.663 -1.601 -8.059 569 HD2 PRO 75 1HD PRO 75 4.608 -2.740 -10.277 570 HD3 PRO 75 2HD PRO 75 4.461 -1.005 -9.933 571 H GLN 76 H GLN 76 7.008 -3.723 -10.858 572 HA GLN 76 HA GLN 76 8.366 -5.576 -11.022 573 HB2 GLN 76 1HB GLN 76 8.675 -3.986 -13.536 574 HB3 GLN 76 2HB GLN 76 9.623 -5.453 -13.332 575 HG2 GLN 76 1HG GLN 76 7.479 -6.665 -12.883 576 HG3 GLN 76 2HG GLN 76 6.629 -5.193 -13.351 577 HE21 GLN 76 1HE2 GLN 76 5.818 -7.005 -14.858 578 HE22 GLN 76 2HE2 GLN 76 6.617 -7.107 -16.387 579 H ASN 77 H ASN 77 9.573 -3.880 -9.271 580 HA ASN 77 HA ASN 77 12.406 -3.894 -10.074 581 HB2 ASN 77 1HB ASN 77 10.944 -2.216 -8.028 582 HB3 ASN 77 2HB ASN 77 12.698 -2.256 -8.174 583 HD21 ASN 77 1HD2 ASN 77 10.222 -0.392 -8.835 584 HD22 ASN 77 2HD2 ASN 77 10.725 0.335 -10.319 585 HA PRO 78 HA PRO 78 13.051 -7.161 -7.172 586 HB2 PRO 78 1HB PRO 78 15.756 -6.984 -7.015 587 HB3 PRO 78 2HB PRO 78 14.918 -7.673 -8.410 588 HG2 PRO 78 1HG PRO 78 16.067 -4.932 -8.056 589 HG3 PRO 78 2HG PRO 78 16.154 -6.008 -9.463 590 HD2 PRO 78 1HD PRO 78 14.410 -3.942 -9.315 591 HD3 PRO 78 2HD PRO 78 14.037 -5.446 -10.182 592 H ASP 79 H ASP 79 13.421 -3.903 -6.547 593 HA ASP 79 HA ASP 79 14.881 -3.793 -4.177 594 HB2 ASP 79 1HB ASP 79 12.497 -2.134 -5.027 595 HB3 ASP 79 2HB ASP 79 13.573 -1.734 -3.690 596 H GLU 80 H GLU 80 11.357 -4.147 -4.586 597 HA GLU 80 HA GLU 80 11.284 -5.483 -1.966 598 HB2 GLU 80 1HB GLU 80 10.442 -3.141 -1.801 599 HB3 GLU 80 2HB GLU 80 9.199 -3.543 -2.978 600 HG2 GLU 80 1HG GLU 80 8.160 -5.070 -1.489 601 HG3 GLU 80 2HG GLU 80 9.513 -4.985 -0.361 602 H ASN 81 H ASN 81 11.056 -7.538 -2.716 603 HA ASN 81 HA ASN 81 8.571 -8.113 -4.172 604 HB2 ASN 81 1HB ASN 81 9.961 -10.023 -5.273 605 HB3 ASN 81 2HB ASN 81 10.081 -8.391 -5.923 606 HD21 ASN 81 1HD2 ASN 81 11.780 -11.030 -4.822 607 HD22 ASN 81 2HD2 ASN 81 13.325 -10.286 -4.610 608 H GLU 82 H GLU 82 7.789 -8.607 -2.023 609 HA GLU 82 HA GLU 82 8.882 -10.473 -0.281 610 HB2 GLU 82 1HB GLU 82 6.038 -9.651 -0.821 611 HB3 GLU 82 2HB GLU 82 6.434 -10.843 0.409 612 HG2 GLU 82 1HG GLU 82 7.791 -8.186 0.417 613 HG3 GLU 82 2HG GLU 82 6.158 -8.350 1.060 614 H SER 83 H SER 83 9.354 -12.539 -0.567 615 HA SER 83 HA SER 83 7.728 -14.108 -2.459 616 HB2 SER 83 1HB SER 83 9.750 -15.542 -2.741 617 HB3 SER 83 2HB SER 83 10.002 -13.878 -3.269 618 HG SER 83 HG SER 83 10.621 -14.488 -0.623 619 H GLY 84 H GLY 84 8.078 -16.589 -1.941 620 HA2 GLY 84 1HA GLY 84 8.349 -18.200 -0.135 621 HA3 GLY 84 2HA GLY 84 7.780 -16.960 0.972 622 HA PRO 85 HA PRO 85 4.293 -19.681 -0.939 623 HB2 PRO 85 1HB PRO 85 4.215 -21.753 0.813 624 HB3 PRO 85 2HB PRO 85 5.166 -21.790 -0.676 625 HG2 PRO 85 1HG PRO 85 6.054 -21.215 2.124 626 HG3 PRO 85 2HG PRO 85 6.840 -22.209 0.883 627 HD2 PRO 85 1HD PRO 85 7.630 -19.680 1.440 628 HD3 PRO 85 2HD PRO 85 7.745 -20.380 -0.188 629 H SER 86 H SER 86 2.535 -18.593 -0.325 630 HA SER 86 HA SER 86 1.918 -18.446 2.552 631 HB2 SER 86 1HB SER 86 0.853 -16.240 2.112 632 HB3 SER 86 2HB SER 86 2.589 -16.233 1.799 633 HG SER 86 HG SER 86 0.859 -16.829 -0.315 634 H SER 87 H SER 87 -0.481 -17.901 2.886 635 HA SER 87 HA SER 87 -2.094 -19.425 0.945 636 HB2 SER 87 1HB SER 87 -1.897 -20.798 2.890 637 HB3 SER 87 2HB SER 87 -2.210 -19.435 3.965 638 HG SER 87 HG SER 87 -4.044 -20.821 3.639 639 H GLY 88 H GLY 88 -3.444 -18.107 -0.075 640 HA2 GLY 88 1HA GLY 88 -5.597 -16.847 0.562 641 HA3 GLY 88 2HA GLY 88 -4.478 -15.754 1.363 Start of MODEL 20 1 H1 GLY 1 H GLY 1 3.010 -29.036 26.258 2 HA2 GLY 1 1HA GLY 1 2.641 -26.219 27.031 3 HA3 GLY 1 2HA GLY 1 4.021 -26.674 26.043 4 H SER 2 H SER 2 3.358 -25.366 24.325 5 HA SER 2 HA SER 2 1.248 -26.561 22.692 6 HB2 SER 2 1HB SER 2 0.185 -24.684 23.892 7 HB3 SER 2 2HB SER 2 1.416 -23.591 23.260 8 HG SER 2 HG SER 2 -0.299 -25.141 21.618 9 H SER 3 H SER 3 1.509 -26.277 20.468 10 HA SER 3 HA SER 3 3.947 -24.895 19.591 11 HB2 SER 3 1HB SER 3 4.459 -27.308 19.836 12 HB3 SER 3 2HB SER 3 3.153 -27.682 18.712 13 HG SER 3 HG SER 3 5.106 -27.613 17.599 14 H GLY 4 H GLY 4 4.006 -24.664 17.166 15 HA2 GLY 4 1HA GLY 4 1.312 -24.555 15.990 16 HA3 GLY 4 2HA GLY 4 2.298 -23.100 16.016 17 H SER 5 H SER 5 1.405 -23.978 13.626 18 HA SER 5 HA SER 5 3.770 -25.243 12.404 19 HB2 SER 5 1HB SER 5 2.239 -25.950 10.568 20 HB3 SER 5 2HB SER 5 1.811 -26.649 12.129 21 HG SER 5 HG SER 5 0.011 -25.778 10.932 22 H SER 6 H SER 6 4.897 -24.090 10.976 23 HA SER 6 HA SER 6 3.860 -21.463 10.200 24 HB2 SER 6 1HB SER 6 6.671 -22.560 9.944 25 HB3 SER 6 2HB SER 6 6.170 -20.892 9.669 26 HG SER 6 HG SER 6 6.747 -22.165 12.000 27 H GLY 7 H GLY 7 3.387 -20.930 8.146 28 HA2 GLY 7 1HA GLY 7 4.424 -21.708 5.785 29 HA3 GLY 7 2HA GLY 7 3.358 -23.050 6.172 30 HA PRO 8 HA PRO 8 1.120 -19.170 4.387 31 HB2 PRO 8 1HB PRO 8 1.339 -19.599 1.715 32 HB3 PRO 8 2HB PRO 8 2.488 -18.614 2.626 33 HG2 PRO 8 1HG PRO 8 2.723 -21.463 1.738 34 HG3 PRO 8 2HG PRO 8 3.940 -20.174 1.696 35 HD2 PRO 8 1HD PRO 8 3.903 -22.079 3.619 36 HD3 PRO 8 2HD PRO 8 4.465 -20.424 3.926 37 H LEU 9 H LEU 9 -0.822 -19.282 2.890 38 HA LEU 9 HA LEU 9 -2.457 -21.446 3.620 39 HB2 LEU 9 1HB LEU 9 -2.722 -19.235 1.617 40 HB3 LEU 9 2HB LEU 9 -3.948 -20.495 1.738 41 HG LEU 9 HG LEU 9 -4.597 -18.480 2.956 42 HD11 LEU 9 1HD1 LEU 9 -3.955 -20.543 5.026 43 HD12 LEU 9 2HD1 LEU 9 -5.103 -20.886 3.733 44 HD13 LEU 9 3HD1 LEU 9 -5.404 -19.553 4.847 45 HD21 LEU 9 1HD2 LEU 9 -2.191 -19.011 4.696 46 HD22 LEU 9 2HD2 LEU 9 -3.385 -17.729 4.903 47 HD23 LEU 9 3HD2 LEU 9 -2.310 -17.716 3.504 48 HA PRO 10 HA PRO 10 -1.423 -24.520 0.639 49 HB2 PRO 10 1HB PRO 10 -3.702 -25.991 0.759 50 HB3 PRO 10 2HB PRO 10 -2.479 -26.008 2.035 51 HG2 PRO 10 1HG PRO 10 -5.061 -24.499 1.905 52 HG3 PRO 10 2HG PRO 10 -4.346 -25.377 3.270 53 HD2 PRO 10 1HD PRO 10 -4.198 -22.683 3.031 54 HD3 PRO 10 2HD PRO 10 -2.918 -23.646 3.797 55 H SER 11 H SER 11 -3.934 -22.262 0.260 56 HA SER 11 HA SER 11 -4.730 -23.253 -2.365 57 HB2 SER 11 1HB SER 11 -5.688 -20.838 -0.810 58 HB3 SER 11 2HB SER 11 -6.378 -21.423 -2.324 59 HG SER 11 HG SER 11 -7.619 -22.306 -0.754 60 H THR 12 H THR 12 -4.940 -21.519 -4.114 61 HA THR 12 HA THR 12 -2.457 -20.694 -4.959 62 HB THR 12 HB THR 12 -3.693 -19.057 -6.448 63 HG1 THR 12 1HG THR 12 -6.118 -20.200 -5.787 64 HG21 THR 12 1HG2 THR 12 -4.336 -20.732 -7.890 65 HG22 THR 12 2HG2 THR 12 -5.065 -21.702 -6.609 66 HG23 THR 12 3HG2 THR 12 -3.311 -21.639 -6.779 67 H GLN 13 H GLN 13 -1.079 -19.231 -4.219 68 HA GLN 13 HA GLN 13 -1.984 -17.173 -2.384 69 HB2 GLN 13 1HB GLN 13 0.031 -18.417 -1.821 70 HB3 GLN 13 2HB GLN 13 0.785 -17.927 -3.333 71 HG2 GLN 13 1HG GLN 13 1.177 -15.791 -2.609 72 HG3 GLN 13 2HG GLN 13 -0.146 -15.826 -1.445 73 HE21 GLN 13 1HE2 GLN 13 0.824 -15.375 0.424 74 HE22 GLN 13 2HE2 GLN 13 2.151 -16.254 1.095 75 H ASN 14 H ASN 14 -2.817 -15.391 -3.260 76 HA ASN 14 HA ASN 14 -2.241 -14.465 -5.869 77 HB2 ASN 14 1HB ASN 14 -3.537 -13.071 -3.517 78 HB3 ASN 14 2HB ASN 14 -3.485 -12.416 -5.151 79 HD21 ASN 14 1HD2 ASN 14 -5.311 -14.107 -3.008 80 HD22 ASN 14 2HD2 ASN 14 -6.383 -14.902 -4.106 81 H GLY 15 H GLY 15 -0.796 -13.014 -6.626 82 HA2 GLY 15 1HA GLY 15 1.500 -12.405 -5.082 83 HA3 GLY 15 2HA GLY 15 1.132 -11.764 -6.676 84 HA PRO 16 HA PRO 16 0.376 -8.671 -3.054 85 HB2 PRO 16 1HB PRO 16 2.843 -7.578 -2.750 86 HB3 PRO 16 2HB PRO 16 2.278 -8.955 -1.796 87 HG2 PRO 16 1HG PRO 16 4.041 -8.923 -4.216 88 HG3 PRO 16 2HG PRO 16 4.205 -9.868 -2.724 89 HD2 PRO 16 1HD PRO 16 3.195 -10.914 -5.008 90 HD3 PRO 16 2HD PRO 16 2.657 -11.437 -3.399 91 H VAL 17 H VAL 17 -0.203 -6.637 -3.609 92 HA VAL 17 HA VAL 17 0.680 -5.662 -6.234 93 HB VAL 17 HB VAL 17 -1.729 -4.897 -4.580 94 HG11 VAL 17 1HG1 VAL 17 -1.965 -3.998 -7.243 95 HG12 VAL 17 2HG1 VAL 17 -1.849 -3.029 -5.773 96 HG13 VAL 17 3HG1 VAL 17 -0.388 -3.470 -6.657 97 HG21 VAL 17 1HG2 VAL 17 -3.033 -6.060 -6.193 98 HG22 VAL 17 2HG2 VAL 17 -1.638 -6.299 -7.245 99 HG23 VAL 17 3HG2 VAL 17 -1.734 -7.149 -5.702 100 H PHE 18 H PHE 18 1.972 -3.953 -6.385 101 HA PHE 18 HA PHE 18 2.586 -2.439 -3.963 102 HB2 PHE 18 1HB PHE 18 3.960 -2.674 -6.639 103 HB3 PHE 18 2HB PHE 18 4.454 -1.507 -5.417 104 HD1 PHE 18 2HD PHE 18 4.268 -5.064 -6.279 105 HD2 PHE 18 1HD PHE 18 5.608 -2.197 -3.432 106 HE1 PHE 18 2HE PHE 18 5.667 -6.783 -5.211 107 HE2 PHE 18 1HE PHE 18 7.010 -3.911 -2.361 108 HZ PHE 18 HZ PHE 18 7.040 -6.208 -3.249 109 H ALA 19 H ALA 19 2.263 -0.271 -3.742 110 HA ALA 19 HA ALA 19 1.119 1.204 -6.005 111 HB1 ALA 19 1HB ALA 19 -0.394 2.228 -4.052 112 HB2 ALA 19 2HB ALA 19 -0.897 0.853 -5.036 113 HB3 ALA 19 3HB ALA 19 -0.206 0.586 -3.436 114 H LYS 20 H LYS 20 2.267 2.985 -6.309 115 HA LYS 20 HA LYS 20 3.933 4.036 -4.175 116 HB2 LYS 20 1HB LYS 20 4.950 3.824 -6.355 117 HB3 LYS 20 2HB LYS 20 3.666 4.773 -7.094 118 HG2 LYS 20 1HG LYS 20 4.477 6.761 -6.279 119 HG3 LYS 20 2HG LYS 20 5.315 5.991 -4.930 120 HD2 LYS 20 1HD LYS 20 7.082 6.537 -6.304 121 HD3 LYS 20 2HD LYS 20 6.737 4.888 -6.830 122 HE2 LYS 20 1HE LYS 20 6.888 5.981 -8.848 123 HE3 LYS 20 2HE LYS 20 5.155 6.074 -8.537 124 HZ1 LYS 20 1HZ LYS 20 6.032 8.302 -7.345 125 HZ2 LYS 20 2HZ LYS 20 5.472 8.242 -8.940 126 HZ3 LYS 20 3HZ LYS 20 7.133 8.185 -8.625 127 H ALA 21 H ALA 21 3.640 5.929 -3.123 128 HA ALA 21 HA ALA 21 1.049 7.154 -3.243 129 HB1 ALA 21 1HB ALA 21 2.468 6.794 -1.161 130 HB2 ALA 21 2HB ALA 21 3.400 8.196 -1.690 131 HB3 ALA 21 3HB ALA 21 1.681 8.363 -1.332 132 H ILE 22 H ILE 22 0.574 8.466 -4.889 133 HA ILE 22 HA ILE 22 2.552 10.019 -6.260 134 HB ILE 22 HB ILE 22 0.569 11.005 -7.453 135 HG12 ILE 22 1HG1 ILE 22 -1.007 8.908 -5.958 136 HG13 ILE 22 2HG1 ILE 22 -0.990 10.605 -5.490 137 HG21 ILE 22 1HG2 ILE 22 1.073 9.362 -8.857 138 HG22 ILE 22 2HG2 ILE 22 1.614 8.340 -7.527 139 HG23 ILE 22 3HG2 ILE 22 -0.081 8.331 -8.012 140 HD11 ILE 22 1HD1 ILE 22 -2.953 10.040 -6.820 141 HD12 ILE 22 2HD1 ILE 22 -1.930 11.222 -7.640 142 HD13 ILE 22 3HD1 ILE 22 -1.908 9.533 -8.147 143 H GLN 23 H GLN 23 0.156 10.629 -3.775 144 HA GLN 23 HA GLN 23 1.023 13.442 -3.679 145 HB2 GLN 23 1HB GLN 23 -1.589 12.127 -2.990 146 HB3 GLN 23 2HB GLN 23 -1.159 13.690 -2.309 147 HG2 GLN 23 1HG GLN 23 -1.377 13.041 -5.241 148 HG3 GLN 23 2HG GLN 23 -2.560 13.928 -4.281 149 HE21 GLN 23 1HE2 GLN 23 -0.294 14.349 -6.509 150 HE22 GLN 23 2HE2 GLN 23 0.273 15.930 -6.106 151 H LYS 24 H LYS 24 1.293 14.412 -1.590 152 HA LYS 24 HA LYS 24 2.602 12.652 0.264 153 HB2 LYS 24 1HB LYS 24 3.447 14.923 -0.226 154 HB3 LYS 24 2HB LYS 24 1.998 15.607 0.499 155 HG2 LYS 24 1HG LYS 24 2.606 14.659 2.653 156 HG3 LYS 24 2HG LYS 24 4.040 13.921 1.935 157 HD2 LYS 24 1HD LYS 24 4.953 16.102 1.426 158 HD3 LYS 24 2HD LYS 24 3.482 16.886 2.007 159 HE2 LYS 24 1HE LYS 24 5.175 17.041 3.708 160 HE3 LYS 24 2HE LYS 24 3.918 15.932 4.252 161 HZ1 LYS 24 1HZ LYS 24 6.032 14.613 2.834 162 HZ2 LYS 24 2HZ LYS 24 5.357 14.254 4.343 163 HZ3 LYS 24 3HZ LYS 24 6.583 15.414 4.219 164 H ARG 25 H ARG 25 1.715 11.652 1.942 165 HA ARG 25 HA ARG 25 -0.998 12.382 2.748 166 HB2 ARG 25 1HB ARG 25 -0.123 9.972 2.190 167 HB3 ARG 25 2HB ARG 25 0.480 10.019 3.841 168 HG2 ARG 25 1HG ARG 25 -2.382 10.635 3.201 169 HG3 ARG 25 2HG ARG 25 -1.815 8.980 3.431 170 HD2 ARG 25 1HD ARG 25 -0.769 10.026 5.622 171 HD3 ARG 25 2HD ARG 25 -2.062 11.203 5.393 172 HE ARG 25 HE ARG 25 -2.333 8.492 6.269 173 HH11 ARG 25 2HH1 ARG 25 -3.929 11.101 4.605 174 HH12 ARG 25 1HH1 ARG 25 -5.524 10.530 4.969 175 HH21 ARG 25 2HH2 ARG 25 -4.428 7.731 6.754 176 HH22 ARG 25 1HH2 ARG 25 -5.807 8.614 6.192 177 H VAL 26 H VAL 26 -1.487 13.264 4.669 178 HA VAL 26 HA VAL 26 0.654 13.465 6.684 179 HB VAL 26 HB VAL 26 -1.356 15.610 5.983 180 HG11 VAL 26 1HG1 VAL 26 -1.029 16.287 8.083 181 HG12 VAL 26 2HG1 VAL 26 0.300 15.151 8.327 182 HG13 VAL 26 3HG1 VAL 26 0.605 16.719 7.578 183 HG21 VAL 26 1HG2 VAL 26 0.685 16.893 5.329 184 HG22 VAL 26 2HG2 VAL 26 1.613 15.404 5.501 185 HG23 VAL 26 3HG2 VAL 26 0.335 15.511 4.291 186 HA PRO 27 HA PRO 27 -2.847 11.426 8.780 187 HB2 PRO 27 1HB PRO 27 -1.280 10.148 10.592 188 HB3 PRO 27 2HB PRO 27 -1.566 9.527 8.962 189 HG2 PRO 27 1HG PRO 27 0.780 11.054 10.023 190 HG3 PRO 27 2HG PRO 27 0.756 9.641 8.951 191 HD2 PRO 27 1HD PRO 27 1.114 12.162 8.030 192 HD3 PRO 27 2HD PRO 27 0.287 10.909 7.084 193 H CYS 28 H CYS 28 -3.803 11.818 10.783 194 HA CYS 28 HA CYS 28 -3.462 14.289 11.950 195 HB2 CYS 28 1HB CYS 28 -5.329 12.427 12.212 196 HB3 CYS 28 2HB CYS 28 -4.421 12.045 13.670 197 HG CYS 28 HG CYS 28 -5.275 13.997 15.129 198 H ALA 29 H ALA 29 -2.521 15.031 13.874 199 HA ALA 29 HA ALA 29 0.070 14.259 14.405 200 HB1 ALA 29 1HB ALA 29 -0.282 15.470 16.627 201 HB2 ALA 29 2HB ALA 29 -0.568 16.386 15.146 202 HB3 ALA 29 3HB ALA 29 -1.931 15.754 16.068 203 H TYR 30 H TYR 30 -2.912 13.054 15.798 204 HA TYR 30 HA TYR 30 -1.336 11.114 17.361 205 HB2 TYR 30 1HB TYR 30 -3.467 10.980 18.794 206 HB3 TYR 30 2HB TYR 30 -2.455 12.409 18.971 207 HD1 TYR 30 1HD TYR 30 -5.484 11.164 17.196 208 HD2 TYR 30 2HD TYR 30 -3.384 14.534 18.725 209 HE1 TYR 30 1HE TYR 30 -7.425 12.591 16.701 210 HE2 TYR 30 2HE TYR 30 -5.320 15.970 18.235 211 HH TYR 30 HH TYR 30 -7.313 15.858 16.548 212 H ASP 31 H ASP 31 -2.003 10.712 14.658 213 HA ASP 31 HA ASP 31 -4.306 8.941 14.606 214 HB2 ASP 31 1HB ASP 31 -3.416 10.580 12.723 215 HB3 ASP 31 2HB ASP 31 -2.429 9.184 12.298 216 H LYS 32 H LYS 32 -4.228 6.731 14.218 217 HA LYS 32 HA LYS 32 -1.580 5.474 14.519 218 HB2 LYS 32 1HB LYS 32 -2.757 3.647 15.770 219 HB3 LYS 32 2HB LYS 32 -2.714 5.194 16.606 220 HG2 LYS 32 1HG LYS 32 -5.082 4.566 14.925 221 HG3 LYS 32 2HG LYS 32 -4.910 3.752 16.483 222 HD2 LYS 32 1HD LYS 32 -4.525 6.704 16.360 223 HD3 LYS 32 2HD LYS 32 -6.167 6.061 16.275 224 HE2 LYS 32 1HE LYS 32 -5.830 6.419 18.553 225 HE3 LYS 32 2HE LYS 32 -5.520 4.696 18.352 226 HZ1 LYS 32 1HZ LYS 32 -3.870 5.944 19.741 227 HZ2 LYS 32 2HZ LYS 32 -3.365 6.729 18.331 228 HZ3 LYS 32 3HZ LYS 32 -3.205 5.051 18.467 229 H THR 33 H THR 33 -4.652 5.526 12.933 230 HA THR 33 HA THR 33 -3.995 3.087 11.434 231 HB THR 33 HB THR 33 -6.318 3.126 10.642 232 HG1 THR 33 1HG THR 33 -6.312 5.606 11.113 233 HG21 THR 33 1HG2 THR 33 -6.056 1.842 12.590 234 HG22 THR 33 2HG2 THR 33 -7.428 2.893 12.943 235 HG23 THR 33 3HG2 THR 33 -5.837 3.267 13.605 236 H ALA 34 H ALA 34 -3.243 6.175 11.177 237 HA ALA 34 HA ALA 34 -3.764 6.352 8.285 238 HB1 ALA 34 1HB ALA 34 -3.369 8.756 8.502 239 HB2 ALA 34 2HB ALA 34 -4.668 8.217 9.566 240 HB3 ALA 34 3HB ALA 34 -3.068 8.551 10.228 241 H LEU 35 H LEU 35 -2.102 5.658 7.113 242 HA LEU 35 HA LEU 35 0.590 5.668 8.150 243 HB2 LEU 35 1HB LEU 35 -0.656 3.981 6.525 244 HB3 LEU 35 2HB LEU 35 0.011 5.058 5.300 245 HG LEU 35 HG LEU 35 1.612 3.545 7.363 246 HD11 LEU 35 1HD1 LEU 35 1.978 2.972 4.514 247 HD12 LEU 35 2HD1 LEU 35 0.409 2.493 5.163 248 HD13 LEU 35 3HD1 LEU 35 1.891 1.877 5.894 249 HD21 LEU 35 1HD2 LEU 35 3.455 4.259 5.665 250 HD22 LEU 35 2HD2 LEU 35 2.917 5.389 6.908 251 HD23 LEU 35 3HD2 LEU 35 2.315 5.541 5.256 252 H ALA 36 H ALA 36 2.224 7.016 7.628 253 HA ALA 36 HA ALA 36 1.538 9.379 6.046 254 HB1 ALA 36 1HB ALA 36 2.727 10.504 7.543 255 HB2 ALA 36 2HB ALA 36 2.978 8.997 8.425 256 HB3 ALA 36 3HB ALA 36 4.151 9.516 7.215 257 H LEU 37 H LEU 37 2.380 9.789 4.098 258 HA LEU 37 HA LEU 37 4.794 8.373 3.241 259 HB2 LEU 37 1HB LEU 37 2.371 8.543 1.472 260 HB3 LEU 37 2HB LEU 37 3.847 7.616 1.209 261 HG LEU 37 HG LEU 37 2.034 6.985 3.511 262 HD11 LEU 37 1HD1 LEU 37 1.757 5.959 0.690 263 HD12 LEU 37 2HD1 LEU 37 0.611 6.998 1.536 264 HD13 LEU 37 3HD1 LEU 37 0.891 5.351 2.100 265 HD21 LEU 37 1HD2 LEU 37 3.850 5.677 3.815 266 HD22 LEU 37 2HD2 LEU 37 4.325 5.750 2.118 267 HD23 LEU 37 3HD2 LEU 37 3.036 4.658 2.627 268 H GLU 38 H GLU 38 5.900 9.368 1.484 269 HA GLU 38 HA GLU 38 5.092 12.163 1.012 270 HB2 GLU 38 1HB GLU 38 7.026 12.341 2.315 271 HB3 GLU 38 2HB GLU 38 7.790 10.960 1.541 272 HG2 GLU 38 1HG GLU 38 8.473 12.177 -0.277 273 HG3 GLU 38 2HG GLU 38 7.202 13.382 -0.084 274 H VAL 39 H VAL 39 5.188 12.953 -1.049 275 HA VAL 39 HA VAL 39 4.639 11.532 -3.230 276 HB VAL 39 HB VAL 39 6.552 13.871 -3.254 277 HG11 VAL 39 1HG1 VAL 39 6.711 13.177 -5.414 278 HG12 VAL 39 2HG1 VAL 39 5.145 12.364 -5.386 279 HG13 VAL 39 3HG1 VAL 39 5.226 14.119 -5.546 280 HG21 VAL 39 1HG2 VAL 39 3.555 13.689 -3.197 281 HG22 VAL 39 2HG2 VAL 39 4.624 14.606 -2.135 282 HG23 VAL 39 3HG2 VAL 39 4.393 15.117 -3.807 283 H GLY 40 H GLY 40 5.522 9.636 -3.804 284 HA2 GLY 40 1HA GLY 40 7.179 8.552 -5.148 285 HA3 GLY 40 2HA GLY 40 8.386 9.637 -4.474 286 H ASP 41 H ASP 41 5.941 7.691 -2.800 287 HA ASP 41 HA ASP 41 8.128 6.160 -1.556 288 HB2 ASP 41 1HB ASP 41 5.846 7.609 -0.286 289 HB3 ASP 41 2HB ASP 41 6.402 6.109 0.451 290 H ILE 42 H ILE 42 7.925 4.022 -1.694 291 HA ILE 42 HA ILE 42 5.639 2.878 -2.998 292 HB ILE 42 HB ILE 42 7.967 1.439 -1.725 293 HG12 ILE 42 1HG1 ILE 42 8.559 3.177 -3.484 294 HG13 ILE 42 2HG1 ILE 42 9.097 1.534 -3.813 295 HG21 ILE 42 1HG2 ILE 42 7.310 -0.226 -3.595 296 HG22 ILE 42 2HG2 ILE 42 6.355 -0.178 -2.114 297 HG23 ILE 42 3HG2 ILE 42 5.762 0.619 -3.571 298 HD11 ILE 42 1HD1 ILE 42 7.444 1.214 -5.449 299 HD12 ILE 42 2HD1 ILE 42 6.549 2.645 -4.938 300 HD13 ILE 42 3HD1 ILE 42 8.107 2.821 -5.746 301 H VAL 43 H VAL 43 4.065 1.576 -2.161 302 HA VAL 43 HA VAL 43 4.079 1.148 0.753 303 HB VAL 43 HB VAL 43 1.648 1.904 -0.873 304 HG11 VAL 43 1HG1 VAL 43 2.090 1.244 2.018 305 HG12 VAL 43 2HG1 VAL 43 0.734 2.251 1.505 306 HG13 VAL 43 3HG1 VAL 43 0.885 0.599 0.904 307 HG21 VAL 43 1HG2 VAL 43 2.601 3.952 -0.748 308 HG22 VAL 43 2HG2 VAL 43 1.925 3.919 0.880 309 HG23 VAL 43 3HG2 VAL 43 3.622 3.515 0.622 310 H LYS 44 H LYS 44 4.432 -0.996 0.865 311 HA LYS 44 HA LYS 44 3.276 -2.844 -1.012 312 HB2 LYS 44 1HB LYS 44 5.462 -3.329 -0.104 313 HB3 LYS 44 2HB LYS 44 4.840 -3.262 1.540 314 HG2 LYS 44 1HG LYS 44 3.366 -5.214 0.939 315 HG3 LYS 44 2HG LYS 44 4.292 -5.343 -0.558 316 HD2 LYS 44 1HD LYS 44 6.364 -5.446 0.916 317 HD3 LYS 44 2HD LYS 44 5.258 -5.687 2.271 318 HE2 LYS 44 1HE LYS 44 5.282 -7.413 -0.198 319 HE3 LYS 44 2HE LYS 44 6.190 -7.789 1.265 320 HZ1 LYS 44 1HZ LYS 44 3.579 -7.242 2.040 321 HZ2 LYS 44 2HZ LYS 44 4.374 -8.735 2.066 322 HZ3 LYS 44 3HZ LYS 44 3.475 -8.280 0.707 323 H VAL 45 H VAL 45 1.155 -3.222 -0.921 324 HA VAL 45 HA VAL 45 -0.134 -3.461 1.710 325 HB VAL 45 HB VAL 45 -1.341 -1.884 0.483 326 HG11 VAL 45 1HG1 VAL 45 -0.513 -1.913 -1.668 327 HG12 VAL 45 2HG1 VAL 45 -0.770 -3.648 -1.858 328 HG13 VAL 45 3HG1 VAL 45 -2.142 -2.541 -1.910 329 HG21 VAL 45 1HG2 VAL 45 -2.552 -4.190 1.231 330 HG22 VAL 45 2HG2 VAL 45 -3.407 -2.768 0.632 331 HG23 VAL 45 3HG2 VAL 45 -3.029 -4.096 -0.464 332 H THR 46 H THR 46 -1.117 -5.311 2.348 333 HA THR 46 HA THR 46 -1.001 -7.597 0.489 334 HB THR 46 HB THR 46 -0.660 -9.070 2.404 335 HG1 THR 46 1HG THR 46 -1.723 -7.747 3.980 336 HG21 THR 46 1HG2 THR 46 1.357 -8.327 1.385 337 HG22 THR 46 2HG2 THR 46 1.603 -8.210 3.127 338 HG23 THR 46 3HG2 THR 46 1.262 -6.759 2.185 339 H ARG 47 H ARG 47 -2.845 -5.892 2.923 340 HA ARG 47 HA ARG 47 -5.143 -7.647 2.354 341 HB2 ARG 47 1HB ARG 47 -4.272 -6.262 4.866 342 HB3 ARG 47 2HB ARG 47 -5.975 -6.622 4.610 343 HG2 ARG 47 1HG ARG 47 -5.533 -8.966 4.485 344 HG3 ARG 47 2HG ARG 47 -3.790 -8.686 4.493 345 HD2 ARG 47 1HD ARG 47 -5.656 -7.947 6.743 346 HD3 ARG 47 2HD ARG 47 -4.697 -9.426 6.685 347 HE ARG 47 HE ARG 47 -3.195 -6.969 6.416 348 HH11 ARG 47 2HH1 ARG 47 -4.424 -9.412 8.570 349 HH12 ARG 47 1HH1 ARG 47 -3.266 -9.081 9.816 350 HH21 ARG 47 2HH2 ARG 47 -1.666 -6.523 8.049 351 HH22 ARG 47 1HH2 ARG 47 -1.699 -7.436 9.519 352 H MET 48 H MET 48 -6.576 -6.709 1.067 353 HA MET 48 HA MET 48 -6.856 -3.783 1.152 354 HB2 MET 48 1HB MET 48 -7.289 -5.818 -1.008 355 HB3 MET 48 2HB MET 48 -8.103 -4.261 -1.087 356 HG2 MET 48 1HG MET 48 -5.931 -3.132 -0.989 357 HG3 MET 48 2HG MET 48 -5.130 -4.701 -0.948 358 HE1 MET 48 1HE MET 48 -3.637 -4.396 -3.315 359 HE2 MET 48 2HE MET 48 -4.311 -3.273 -4.496 360 HE3 MET 48 3HE MET 48 -4.125 -2.777 -2.814 361 H ASN 49 H ASN 49 -8.506 -3.119 2.353 362 HA ASN 49 HA ASN 49 -10.723 -4.815 2.995 363 HB2 ASN 49 1HB ASN 49 -10.496 -1.844 3.499 364 HB3 ASN 49 2HB ASN 49 -11.500 -3.005 4.364 365 HD21 ASN 49 1HD2 ASN 49 -9.993 -1.480 5.881 366 HD22 ASN 49 2HD2 ASN 49 -8.626 -2.335 6.503 367 H ILE 50 H ILE 50 -13.003 -4.031 2.730 368 HA ILE 50 HA ILE 50 -13.502 -3.543 -0.053 369 HB ILE 50 HB ILE 50 -15.410 -3.789 2.274 370 HG12 ILE 50 1HG1 ILE 50 -15.859 -5.976 0.815 371 HG13 ILE 50 2HG1 ILE 50 -14.185 -5.703 0.347 372 HG21 ILE 50 1HG2 ILE 50 -16.531 -4.328 -0.332 373 HG22 ILE 50 2HG2 ILE 50 -17.105 -3.250 0.940 374 HG23 ILE 50 3HG2 ILE 50 -15.912 -2.680 -0.227 375 HD11 ILE 50 1HD1 ILE 50 -14.268 -5.443 3.135 376 HD12 ILE 50 2HD1 ILE 50 -15.229 -6.867 2.734 377 HD13 ILE 50 3HD1 ILE 50 -13.558 -6.748 2.186 378 H ASN 51 H ASN 51 -14.221 -1.782 2.956 379 HA ASN 51 HA ASN 51 -15.590 0.373 2.165 380 HB2 ASN 51 1HB ASN 51 -14.763 1.523 3.997 381 HB3 ASN 51 2HB ASN 51 -14.356 -0.137 4.424 382 HD21 ASN 51 1HD2 ASN 51 -12.143 -0.794 3.376 383 HD22 ASN 51 2HD2 ASN 51 -10.860 0.323 3.677 384 H GLY 52 H GLY 52 -12.055 0.097 1.787 385 HA2 GLY 52 1HA GLY 52 -11.659 0.986 -0.698 386 HA3 GLY 52 2HA GLY 52 -12.011 2.493 0.136 387 H GLN 53 H GLN 53 -10.747 1.926 2.590 388 HA GLN 53 HA GLN 53 -8.031 2.499 1.857 389 HB2 GLN 53 1HB GLN 53 -7.746 3.217 4.014 390 HB3 GLN 53 2HB GLN 53 -9.493 3.368 3.882 391 HG2 GLN 53 1HG GLN 53 -9.435 0.899 4.791 392 HG3 GLN 53 2HG GLN 53 -7.865 1.410 5.408 393 HE21 GLN 53 1HE2 GLN 53 -11.233 1.515 5.826 394 HE22 GLN 53 2HE2 GLN 53 -11.271 2.571 7.193 395 H TRP 54 H TRP 54 -6.209 1.272 2.218 396 HA TRP 54 HA TRP 54 -6.666 -1.525 3.026 397 HB2 TRP 54 1HB TRP 54 -4.557 -0.744 1.029 398 HB3 TRP 54 2HB TRP 54 -5.276 -2.326 1.314 399 HD1 TRP 54 HD TRP 54 -8.328 -1.637 1.036 400 HE1 TRP 54 1HE TRP 54 -9.304 -0.973 -1.251 401 HE3 TRP 54 3HE TRP 54 -4.025 -0.125 -1.273 402 HZ2 TRP 54 2HZ TRP 54 -8.372 0.055 -3.709 403 HZ3 TRP 54 3HZ TRP 54 -4.153 0.684 -3.593 404 HH2 TRP 54 HH TRP 54 -6.283 0.771 -4.785 405 H GLU 55 H GLU 55 -4.602 -2.633 3.699 406 HA GLU 55 HA GLU 55 -3.033 -0.779 5.355 407 HB2 GLU 55 1HB GLU 55 -4.399 -2.671 6.408 408 HB3 GLU 55 2HB GLU 55 -3.203 -3.764 5.725 409 HG2 GLU 55 1HG GLU 55 -1.472 -2.848 7.045 410 HG3 GLU 55 2HG GLU 55 -2.472 -1.481 7.532 411 H GLY 56 H GLY 56 -0.943 -0.477 4.934 412 HA2 GLY 56 1HA GLY 56 0.506 -2.547 3.420 413 HA3 GLY 56 2HA GLY 56 0.543 -0.877 2.872 414 H GLU 57 H GLU 57 2.828 -2.399 3.553 415 HA GLU 57 HA GLU 57 3.702 -1.091 6.043 416 HB2 GLU 57 1HB GLU 57 3.849 -3.492 6.217 417 HB3 GLU 57 2HB GLU 57 4.711 -3.595 4.688 418 HG2 GLU 57 1HG GLU 57 6.440 -2.056 5.912 419 HG3 GLU 57 2HG GLU 57 5.685 -2.722 7.359 420 H VAL 58 H VAL 58 4.969 0.610 5.771 421 HA VAL 58 HA VAL 58 6.721 0.701 3.400 422 HB VAL 58 HB VAL 58 5.509 3.067 4.836 423 HG11 VAL 58 1HG1 VAL 58 7.368 2.778 2.507 424 HG12 VAL 58 2HG1 VAL 58 6.305 4.181 2.640 425 HG13 VAL 58 3HG1 VAL 58 7.487 3.846 3.906 426 HG21 VAL 58 1HG2 VAL 58 3.735 2.981 3.485 427 HG22 VAL 58 2HG2 VAL 58 4.733 2.667 2.065 428 HG23 VAL 58 3HG2 VAL 58 4.231 1.332 3.103 429 H ASN 59 H ASN 59 8.687 2.033 3.684 430 HA ASN 59 HA ASN 59 10.444 1.184 5.489 431 HB2 ASN 59 1HB ASN 59 11.434 3.609 5.426 432 HB3 ASN 59 2HB ASN 59 11.362 2.654 3.947 433 HD21 ASN 59 1HD2 ASN 59 9.749 3.124 2.408 434 HD22 ASN 59 2HD2 ASN 59 8.988 4.675 2.361 435 H GLY 60 H GLY 60 9.851 0.758 7.561 436 HA2 GLY 60 1HA GLY 60 9.287 1.132 9.756 437 HA3 GLY 60 2HA GLY 60 10.086 2.681 9.534 438 H ARG 61 H ARG 61 7.072 1.335 8.200 439 HA ARG 61 HA ARG 61 5.457 3.154 9.743 440 HB2 ARG 61 1HB ARG 61 6.080 3.653 6.870 441 HB3 ARG 61 2HB ARG 61 4.446 3.976 7.432 442 HG2 ARG 61 1HG ARG 61 5.371 5.466 9.167 443 HG3 ARG 61 2HG ARG 61 6.983 5.191 8.502 444 HD2 ARG 61 1HD ARG 61 5.935 5.973 6.271 445 HD3 ARG 61 2HD ARG 61 4.659 6.638 7.290 446 HE ARG 61 HE ARG 61 7.357 7.617 7.017 447 HH11 ARG 61 2HH1 ARG 61 4.485 7.567 8.984 448 HH12 ARG 61 1HH1 ARG 61 4.859 9.051 9.797 449 HH21 ARG 61 2HH2 ARG 61 7.860 9.571 8.081 450 HH22 ARG 61 1HH2 ARG 61 6.779 10.190 9.282 451 H LYS 62 H LYS 62 3.554 2.228 10.143 452 HA LYS 62 HA LYS 62 2.478 0.289 8.219 453 HB2 LYS 62 1HB LYS 62 2.598 -0.162 11.206 454 HB3 LYS 62 2HB LYS 62 1.905 -1.255 10.015 455 HG2 LYS 62 1HG LYS 62 4.209 -1.376 8.980 456 HG3 LYS 62 2HG LYS 62 4.796 -0.554 10.427 457 HD2 LYS 62 1HD LYS 62 3.558 -2.428 11.709 458 HD3 LYS 62 2HD LYS 62 3.577 -3.281 10.164 459 HE2 LYS 62 1HE LYS 62 6.014 -2.189 11.567 460 HE3 LYS 62 2HE LYS 62 5.483 -3.869 11.632 461 HZ1 LYS 62 1HZ LYS 62 6.255 -2.406 9.165 462 HZ2 LYS 62 2HZ LYS 62 5.774 -4.025 9.245 463 HZ3 LYS 62 3HZ LYS 62 7.218 -3.535 9.977 464 H GLY 63 H GLY 63 0.786 1.523 7.544 465 HA2 GLY 63 1HA GLY 63 -1.373 1.902 9.455 466 HA3 GLY 63 2HA GLY 63 -0.739 3.372 8.730 467 H LEU 64 H LEU 64 -3.337 2.874 8.342 468 HA LEU 64 HA LEU 64 -3.695 1.465 5.825 469 HB2 LEU 64 1HB LEU 64 -5.712 3.006 7.449 470 HB3 LEU 64 2HB LEU 64 -6.052 1.895 6.123 471 HG LEU 64 HG LEU 64 -4.808 1.067 8.743 472 HD11 LEU 64 1HD1 LEU 64 -7.087 0.059 9.143 473 HD12 LEU 64 2HD1 LEU 64 -7.676 1.090 7.839 474 HD13 LEU 64 3HD1 LEU 64 -6.981 1.813 9.290 475 HD21 LEU 64 1HD2 LEU 64 -5.745 -0.374 6.293 476 HD22 LEU 64 2HD2 LEU 64 -5.751 -1.177 7.863 477 HD23 LEU 64 3HD2 LEU 64 -4.240 -0.560 7.193 478 H PHE 65 H PHE 65 -4.346 2.412 3.899 479 HA PHE 65 HA PHE 65 -4.411 5.335 3.769 480 HB2 PHE 65 1HB PHE 65 -2.880 5.369 1.858 481 HB3 PHE 65 2HB PHE 65 -2.092 4.686 3.277 482 HD1 PHE 65 2HD PHE 65 -3.541 3.928 -0.012 483 HD2 PHE 65 1HD PHE 65 -1.367 2.416 3.320 484 HE1 PHE 65 2HE PHE 65 -2.943 1.928 -1.314 485 HE2 PHE 65 1HE PHE 65 -0.765 0.413 2.023 486 HZ PHE 65 HZ PHE 65 -1.554 0.167 -0.297 487 HA PRO 66 HA PRO 66 -7.806 4.602 1.069 488 HB2 PRO 66 1HB PRO 66 -7.846 6.979 -0.242 489 HB3 PRO 66 2HB PRO 66 -8.378 6.797 1.434 490 HG2 PRO 66 1HG PRO 66 -5.760 7.792 0.375 491 HG3 PRO 66 2HG PRO 66 -6.747 8.433 1.701 492 HD2 PRO 66 1HD PRO 66 -4.568 6.882 2.124 493 HD3 PRO 66 2HD PRO 66 -5.979 6.859 3.200 494 H PHE 67 H PHE 67 -8.375 4.426 -1.193 495 HA PHE 67 HA PHE 67 -6.098 3.634 -2.809 496 HB2 PHE 67 1HB PHE 67 -7.720 2.613 -4.286 497 HB3 PHE 67 2HB PHE 67 -8.117 2.190 -2.624 498 HD1 PHE 67 2HD PHE 67 -9.071 4.292 -5.492 499 HD2 PHE 67 1HD PHE 67 -10.167 2.857 -1.637 500 HE1 PHE 67 2HE PHE 67 -11.354 5.147 -5.826 501 HE2 PHE 67 1HE PHE 67 -12.452 3.708 -1.966 502 HZ PHE 67 HZ PHE 67 -13.047 4.856 -4.062 503 H THR 68 H THR 68 -7.867 6.416 -2.347 504 HA THR 68 HA THR 68 -7.649 7.332 -5.114 505 HB THR 68 HB THR 68 -8.745 9.435 -4.154 506 HG1 THR 68 1HG THR 68 -9.948 8.796 -2.136 507 HG21 THR 68 1HG2 THR 68 -10.003 6.737 -4.375 508 HG22 THR 68 2HG2 THR 68 -10.209 8.162 -5.394 509 HG23 THR 68 3HG2 THR 68 -10.979 8.091 -3.809 510 H HIS 69 H HIS 69 -5.508 7.016 -2.794 511 HA HIS 69 HA HIS 69 -4.285 9.667 -3.185 512 HB2 HIS 69 1HB HIS 69 -4.225 7.728 -0.909 513 HB3 HIS 69 2HB HIS 69 -2.841 8.788 -1.161 514 HD1 HIS 69 1HD HIS 69 -6.432 9.830 -1.674 515 HD2 HIS 69 2HD HIS 69 -3.286 10.476 0.962 516 HE1 HIS 69 1HE HIS 69 -7.188 11.697 -0.169 517 HE2 HIS 69 2HE HIS 69 -5.235 12.128 1.363 518 H VAL 70 H VAL 70 -3.738 6.194 -3.282 519 HA VAL 70 HA VAL 70 -1.103 6.661 -4.506 520 HB VAL 70 HB VAL 70 -0.625 4.296 -4.031 521 HG11 VAL 70 1HG1 VAL 70 -1.065 6.365 -2.058 522 HG12 VAL 70 2HG1 VAL 70 -1.202 4.753 -1.352 523 HG13 VAL 70 3HG1 VAL 70 0.267 5.219 -2.211 524 HG21 VAL 70 1HG2 VAL 70 -2.125 2.808 -3.230 525 HG22 VAL 70 2HG2 VAL 70 -2.948 4.007 -2.233 526 HG23 VAL 70 3HG2 VAL 70 -3.288 3.913 -3.961 527 H LYS 71 H LYS 71 -0.528 5.564 -6.417 528 HA LYS 71 HA LYS 71 -2.836 4.703 -8.032 529 HB2 LYS 71 1HB LYS 71 -1.733 6.739 -8.855 530 HB3 LYS 71 2HB LYS 71 -0.201 5.880 -8.940 531 HG2 LYS 71 1HG LYS 71 -0.980 4.491 -10.700 532 HG3 LYS 71 2HG LYS 71 -2.640 5.057 -10.495 533 HD2 LYS 71 1HD LYS 71 -1.783 6.186 -12.392 534 HD3 LYS 71 2HD LYS 71 -1.788 7.366 -11.079 535 HE2 LYS 71 1HE LYS 71 0.284 7.526 -12.312 536 HE3 LYS 71 2HE LYS 71 0.602 6.904 -10.693 537 HZ1 LYS 71 1HZ LYS 71 1.080 4.820 -11.488 538 HZ2 LYS 71 2HZ LYS 71 1.683 5.780 -12.743 539 HZ3 LYS 71 3HZ LYS 71 0.182 5.018 -12.909 540 H ILE 72 H ILE 72 -2.882 2.684 -8.789 541 HA ILE 72 HA ILE 72 -0.891 0.802 -8.016 542 HB ILE 72 HB ILE 72 -3.149 0.423 -9.985 543 HG12 ILE 72 1HG1 ILE 72 -3.873 1.225 -7.730 544 HG13 ILE 72 2HG1 ILE 72 -4.468 -0.382 -8.133 545 HG21 ILE 72 1HG2 ILE 72 -2.312 -1.610 -10.280 546 HG22 ILE 72 2HG2 ILE 72 -1.027 -1.286 -9.117 547 HG23 ILE 72 3HG2 ILE 72 -2.571 -1.936 -8.566 548 HD11 ILE 72 1HD1 ILE 72 -1.971 -0.024 -6.529 549 HD12 ILE 72 2HD1 ILE 72 -3.564 0.034 -5.776 550 HD13 ILE 72 3HD1 ILE 72 -3.043 -1.420 -6.626 551 H PHE 73 H PHE 73 1.061 1.379 -8.957 552 HA PHE 73 HA PHE 73 1.193 1.396 -11.886 553 HB2 PHE 73 1HB PHE 73 3.159 2.619 -11.731 554 HB3 PHE 73 2HB PHE 73 2.269 3.198 -10.326 555 HD1 PHE 73 1HD PHE 73 2.898 2.474 -8.072 556 HD2 PHE 73 2HD PHE 73 5.159 1.340 -11.496 557 HE1 PHE 73 1HE PHE 73 4.776 1.833 -6.617 558 HE2 PHE 73 2HE PHE 73 7.039 0.697 -10.046 559 HZ PHE 73 HZ PHE 73 6.849 0.942 -7.603 560 H ASP 74 H ASP 74 2.333 -0.091 -13.036 561 HA ASP 74 HA ASP 74 2.892 -2.594 -11.761 562 HB2 ASP 74 1HB ASP 74 3.800 -3.098 -14.168 563 HB3 ASP 74 2HB ASP 74 2.069 -2.907 -13.903 564 HA PRO 75 HA PRO 75 7.102 -1.605 -10.728 565 HB2 PRO 75 1HB PRO 75 7.753 -4.066 -9.782 566 HB3 PRO 75 2HB PRO 75 6.783 -2.909 -8.863 567 HG2 PRO 75 1HG PRO 75 5.890 -5.254 -10.494 568 HG3 PRO 75 2HG PRO 75 5.325 -4.720 -8.900 569 HD2 PRO 75 1HD PRO 75 3.960 -4.198 -11.180 570 HD3 PRO 75 2HD PRO 75 3.959 -3.092 -9.791 571 H GLN 76 H GLN 76 5.978 -3.644 -13.160 572 HA GLN 76 HA GLN 76 8.659 -4.478 -13.987 573 HB2 GLN 76 1HB GLN 76 7.557 -5.944 -15.562 574 HB3 GLN 76 2HB GLN 76 6.841 -6.162 -13.970 575 HG2 GLN 76 1HG GLN 76 4.846 -5.236 -14.582 576 HG3 GLN 76 2HG GLN 76 5.571 -4.233 -15.837 577 HE21 GLN 76 1HE2 GLN 76 3.985 -4.906 -17.309 578 HE22 GLN 76 2HE2 GLN 76 4.036 -6.469 -18.041 579 H ASN 77 H ASN 77 8.270 -1.762 -14.146 580 HA ASN 77 HA ASN 77 7.253 -0.460 -16.221 581 HB2 ASN 77 1HB ASN 77 9.969 -0.284 -14.988 582 HB3 ASN 77 2HB ASN 77 9.630 0.687 -16.418 583 HD21 ASN 77 1HD2 ASN 77 7.189 1.591 -16.157 584 HD22 ASN 77 2HD2 ASN 77 6.982 2.504 -14.704 585 HA PRO 78 HA PRO 78 8.704 -3.151 -19.587 586 HB2 PRO 78 1HB PRO 78 6.710 -2.441 -21.287 587 HB3 PRO 78 2HB PRO 78 6.509 -3.665 -20.028 588 HG2 PRO 78 1HG PRO 78 5.694 -0.785 -20.016 589 HG3 PRO 78 2HG PRO 78 4.794 -2.204 -19.450 590 HD2 PRO 78 1HD PRO 78 6.115 -0.549 -17.763 591 HD3 PRO 78 2HD PRO 78 5.936 -2.287 -17.450 592 H ASP 79 H ASP 79 8.545 0.178 -19.146 593 HA ASP 79 HA ASP 79 8.861 1.385 -21.561 594 HB2 ASP 79 1HB ASP 79 9.002 2.407 -19.210 595 HB3 ASP 79 2HB ASP 79 10.720 2.023 -19.278 596 H GLU 80 H GLU 80 10.517 1.762 -23.022 597 HA GLU 80 HA GLU 80 12.744 -0.154 -22.874 598 HB2 GLU 80 1HB GLU 80 11.021 -0.157 -24.817 599 HB3 GLU 80 2HB GLU 80 11.893 1.262 -25.382 600 HG2 GLU 80 1HG GLU 80 13.826 0.064 -25.815 601 HG3 GLU 80 2HG GLU 80 13.361 -1.262 -24.751 602 H ASN 81 H ASN 81 14.348 0.939 -21.854 603 HA ASN 81 HA ASN 81 15.127 3.550 -22.972 604 HB2 ASN 81 1HB ASN 81 14.472 3.410 -20.511 605 HB3 ASN 81 2HB ASN 81 15.947 2.477 -20.273 606 HD21 ASN 81 1HD2 ASN 81 14.588 5.555 -20.514 607 HD22 ASN 81 2HD2 ASN 81 16.052 6.473 -20.494 608 H GLU 82 H GLU 82 15.880 1.252 -24.326 609 HA GLU 82 HA GLU 82 18.775 1.174 -23.787 610 HB2 GLU 82 1HB GLU 82 16.890 -1.047 -24.501 611 HB3 GLU 82 2HB GLU 82 18.585 -1.151 -24.955 612 HG2 GLU 82 1HG GLU 82 17.498 -0.853 -22.166 613 HG3 GLU 82 2HG GLU 82 18.195 -2.309 -22.874 614 H SER 83 H SER 83 17.667 3.093 -25.428 615 HA SER 83 HA SER 83 17.309 2.608 -28.092 616 HB2 SER 83 1HB SER 83 18.880 4.892 -26.874 617 HB3 SER 83 2HB SER 83 18.220 4.869 -28.510 618 HG SER 83 HG SER 83 16.434 4.316 -26.465 619 H GLY 84 H GLY 84 18.457 1.538 -29.550 620 HA2 GLY 84 1HA GLY 84 21.251 2.022 -29.938 621 HA3 GLY 84 2HA GLY 84 20.957 0.446 -29.218 622 HA PRO 85 HA PRO 85 20.141 -1.321 -33.139 623 HB2 PRO 85 1HB PRO 85 18.044 -2.976 -32.655 624 HB3 PRO 85 2HB PRO 85 19.679 -3.300 -32.068 625 HG2 PRO 85 1HG PRO 85 17.344 -2.120 -30.614 626 HG3 PRO 85 2HG PRO 85 18.512 -3.332 -30.057 627 HD2 PRO 85 1HD PRO 85 18.677 -0.721 -29.358 628 HD3 PRO 85 2HD PRO 85 20.112 -1.747 -29.563 629 H SER 86 H SER 86 17.889 0.735 -31.707 630 HA SER 86 HA SER 86 15.674 0.538 -33.408 631 HB2 SER 86 1HB SER 86 15.238 2.921 -32.735 632 HB3 SER 86 2HB SER 86 15.513 1.827 -31.380 633 HG SER 86 HG SER 86 16.795 3.524 -30.944 634 H SER 87 H SER 87 15.024 1.904 -35.165 635 HA SER 87 HA SER 87 16.849 2.063 -37.247 636 HB2 SER 87 1HB SER 87 15.163 3.482 -38.389 637 HB3 SER 87 2HB SER 87 14.442 2.059 -37.636 638 HG SER 87 HG SER 87 13.529 4.360 -37.314 639 H GLY 88 H GLY 88 17.174 4.261 -38.489 640 HA2 GLY 88 1HA GLY 88 17.681 6.547 -36.809 641 HA3 GLY 88 2HA GLY 88 19.145 5.710 -37.306
Contact the webmaster for help, if required. Wednesday, May 15, 2024 8:45:07 PM GMT (wattos1)