NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
575271 | 2mmb | 19851 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -9.474 -7.175 19.593 2 HA2 GLY 1 1HA GLY 1 -8.631 -4.339 19.756 3 HA3 GLY 1 2HA GLY 1 -8.368 -5.410 18.360 4 H THR 2 H THR 2 -10.562 -6.511 17.599 5 HA THR 2 HA THR 2 -12.640 -6.434 16.834 6 HB THR 2 HB THR 2 -13.314 -3.952 18.407 7 HG1 THR 2 1HG THR 2 -13.151 -6.566 19.485 8 HG21 THR 2 3HG2 THR 2 -15.096 -4.902 17.033 9 HG22 THR 2 1HG2 THR 2 -15.482 -5.076 18.751 10 HG23 THR 2 2HG2 THR 2 -14.916 -6.478 17.818 11 H ASP 3 H ASP 3 -12.581 -5.970 14.660 12 HA ASP 3 HA ASP 3 -12.999 -3.275 13.774 13 HB3 ASP 3 2HB ASP 3 -10.687 -2.958 13.686 14 H PHE 4 H PHE 4 -13.278 -3.340 11.283 15 HA PHE 4 HA PHE 4 -14.082 -5.860 10.069 16 HB3 PHE 4 2HB PHE 4 -15.986 -5.376 11.601 17 HD1 PHE 4 1HD PHE 4 -15.355 -2.919 12.604 18 HD2 PHE 4 2HD PHE 4 -17.855 -3.666 9.157 19 HE1 PHE 4 1HE PHE 4 -16.315 -0.684 12.817 20 HE2 PHE 4 2HE PHE 4 -18.900 -1.466 9.452 21 HZ PHE 4 HZ PHE 4 -18.111 0.076 11.220 22 H GLY 5 H GLY 5 -15.199 -5.252 7.838 23 HA2 GLY 5 1HA GLY 5 -14.827 -2.586 6.847 24 HA3 GLY 5 2HA GLY 5 -13.561 -3.660 6.236 25 H THR 6 H THR 6 -14.126 -4.203 4.126 26 HA THR 6 HA THR 6 -16.835 -5.145 3.502 27 HB THR 6 HB THR 6 -16.983 -2.714 3.698 28 HG1 THR 6 1HG THR 6 -18.014 -2.460 1.632 29 HG21 THR 6 3HG2 THR 6 -16.128 -1.242 1.962 30 HG22 THR 6 1HG2 THR 6 -15.182 -2.554 1.254 31 HG23 THR 6 2HG2 THR 6 -14.802 -1.959 2.883 32 H THR 7 H THR 7 -14.460 -6.537 3.438 33 HA THR 7 HA THR 7 -12.969 -6.564 1.110 34 HB THR 7 HB THR 7 -13.514 -9.004 2.832 35 HG1 THR 7 1HG THR 7 -12.896 -7.997 4.557 36 HG21 THR 7 3HG2 THR 7 -11.751 -9.140 1.048 37 HG22 THR 7 1HG2 THR 7 -11.069 -9.287 2.677 38 HG23 THR 7 2HG2 THR 7 -10.936 -7.751 1.781 39 H ASN 8 H ASN 8 -15.970 -6.708 0.491 40 HA ASN 8 HA ASN 8 -15.781 -8.671 -1.616 41 HB3 ASN 8 2HB ASN 8 -18.149 -8.952 0.289 42 HD21 ASN 8 1HD2 ASN 8 -17.933 -11.869 0.044 43 HD22 ASN 8 2HD2 ASN 8 -18.351 -12.282 -1.614 44 H ASN 9 H ASN 9 -15.760 -5.886 -1.739 45 HA ASN 9 HA ASN 9 -18.292 -5.302 -3.097 46 HB3 ASN 9 2HB ASN 9 -17.560 -2.931 -1.625 47 HD21 ASN 9 1HD2 ASN 9 -19.726 -3.682 0.514 48 HD22 ASN 9 2HD2 ASN 9 -21.186 -3.609 -0.433 49 H PHE 10 H PHE 10 -17.669 -4.609 -5.062 50 HA PHE 10 HA PHE 10 -15.128 -3.131 -5.401 51 HB3 PHE 10 2HB PHE 10 -14.737 -5.538 -5.814 52 HD1 PHE 10 2HD PHE 10 -16.870 -6.989 -5.641 53 HD2 PHE 10 1HD PHE 10 -15.714 -4.929 -9.255 54 HE1 PHE 10 2HE PHE 10 -18.226 -8.563 -6.979 55 HE2 PHE 10 1HE PHE 10 -17.073 -6.531 -10.582 56 HZ PHE 10 HZ PHE 10 -18.324 -8.353 -9.444 57 H VAL 11 H VAL 11 -15.106 -1.886 -7.439 58 HA VAL 11 HA VAL 11 -17.716 -1.520 -8.715 59 HB VAL 11 HB VAL 11 -17.606 0.947 -8.331 60 HG11 VAL 11 1HG1 VAL 11 -18.620 0.957 -6.164 61 HG12 VAL 11 2HG1 VAL 11 -19.090 -0.547 -6.975 62 HG13 VAL 11 3HG1 VAL 11 -17.850 -0.575 -5.719 63 HG21 VAL 11 3HG2 VAL 11 -16.284 1.855 -6.473 64 HG22 VAL 11 1HG2 VAL 11 -15.522 0.280 -6.239 65 HG23 VAL 11 2HG2 VAL 11 -15.228 1.190 -7.736 66 H SER 12 H SER 12 -17.293 0.589 -10.285 67 HA SER 12 HA SER 12 -15.075 -0.203 -12.039 68 HB3 SER 12 2HB SER 12 -16.293 1.072 -13.722 69 HG SER 12 HG SER 12 -18.427 0.102 -13.453 70 HA PRO 13 HA PRO 13 -12.674 3.141 -10.638 71 HB3 PRO 13 2HB PRO 13 -10.991 2.304 -11.958 72 HG3 PRO 13 2HG PRO 13 -11.451 1.514 -14.157 73 HD3 PRO 13 2HD PRO 13 -13.067 0.417 -12.877 74 H ASN 14 H ASN 14 -14.428 4.593 -10.211 75 HA ASN 14 HA ASN 14 -14.406 7.084 -11.796 76 HB3 ASN 14 2HB ASN 14 -17.065 5.659 -11.707 77 HD21 ASN 14 1HD2 ASN 14 -15.158 6.220 -14.530 78 HD22 ASN 14 2HD2 ASN 14 -16.280 7.350 -15.233 79 H LEU 15 H LEU 15 -13.836 6.458 -9.066 80 HA LEU 15 HA LEU 15 -16.199 7.398 -7.517 81 HB3 LEU 15 2HB LEU 15 -13.772 5.860 -6.546 82 HG LEU 15 HG LEU 15 -15.191 7.120 -4.787 83 HD11 LEU 15 1HD1 LEU 15 -17.443 6.608 -5.892 84 HD12 LEU 15 2HD1 LEU 15 -17.336 6.275 -4.164 85 HD13 LEU 15 3HD1 LEU 15 -17.237 4.940 -5.323 86 HD21 LEU 15 3HD2 LEU 15 -14.877 4.092 -4.741 87 HD22 LEU 15 1HD2 LEU 15 -15.301 5.057 -3.321 88 HD23 LEU 15 2HD2 LEU 15 -13.745 5.316 -4.131 89 H GLN 16 H GLN 16 -15.159 9.432 -8.733 90 HA GLN 16 HA GLN 16 -12.889 10.642 -7.398 91 HB3 GLN 16 2HB GLN 16 -14.741 12.280 -9.081 92 HG3 GLN 16 2HG GLN 16 -12.338 12.948 -8.418 93 HE21 GLN 16 1HE2 GLN 16 -10.344 13.032 -10.355 94 HE22 GLN 16 2HE2 GLN 16 -9.493 11.485 -10.291 95 H LEU 17 H LEU 17 -15.206 9.916 -5.679 96 HA LEU 17 HA LEU 17 -15.848 12.379 -4.285 97 HB3 LEU 17 2HB LEU 17 -17.556 12.908 -5.602 98 HG LEU 17 HG LEU 17 -17.354 11.334 -7.429 99 HD11 LEU 17 1HD1 LEU 17 -17.265 9.162 -6.183 100 HD12 LEU 17 2HD1 LEU 17 -18.465 9.171 -7.472 101 HD13 LEU 17 3HD1 LEU 17 -18.966 9.363 -5.765 102 HD21 LEU 17 3HD2 LEU 17 -19.731 11.244 -8.041 103 HD22 LEU 17 1HD2 LEU 17 -19.346 12.773 -7.253 104 HD23 LEU 17 2HD2 LEU 17 -20.189 11.505 -6.343 105 H LYS 18 H LYS 18 -14.922 11.379 -2.575 106 HA LYS 18 HA LYS 18 -16.660 9.595 -1.050 107 HB3 LYS 18 2HB LYS 18 -14.065 8.571 -0.492 108 HG3 LYS 18 2HG LYS 18 -14.753 6.549 -1.752 109 HD3 LYS 18 2HD LYS 18 -16.821 7.667 0.176 110 HE3 LYS 18 2HE LYS 18 -17.685 5.715 -1.056 111 HZ1 LYS 18 3HZ LYS 18 -15.154 4.467 -0.308 112 HZ2 LYS 18 1HZ LYS 18 -16.179 4.140 -1.561 113 HZ3 LYS 18 2HZ LYS 18 -16.503 3.598 -0.053 114 H GLN 19 H GLN 19 -15.701 9.408 1.260 115 HA GLN 19 HA GLN 19 -14.632 12.016 2.127 116 HB3 GLN 19 2HB GLN 19 -16.794 11.428 3.016 117 HG3 GLN 19 2HG GLN 19 -16.023 8.780 3.163 118 HE21 GLN 19 1HE2 GLN 19 -15.797 7.221 4.727 119 HE22 GLN 19 2HE2 GLN 19 -15.156 7.521 6.352 120 H ASN 20 H ASN 20 -13.364 11.523 4.401 121 HA ASN 20 HA ASN 20 -10.947 10.368 3.426 122 HB3 ASN 20 2HB ASN 20 -11.284 11.291 6.281 123 HD21 ASN 20 1HD2 ASN 20 -9.452 9.818 6.757 124 HD22 ASN 20 2HD2 ASN 20 -7.901 10.079 5.966 125 H VAL 21 H VAL 21 -11.017 8.390 3.295 126 HA VAL 21 HA VAL 21 -11.069 6.777 5.813 127 HB VAL 21 HB VAL 21 -13.286 6.814 4.813 128 HG11 VAL 21 1HG1 VAL 21 -13.855 5.681 2.735 129 HG12 VAL 21 2HG1 VAL 21 -12.697 6.963 2.404 130 HG13 VAL 21 3HG1 VAL 21 -12.152 5.278 2.445 131 HG21 VAL 21 3HG2 VAL 21 -12.530 4.885 6.158 132 HG22 VAL 21 1HG2 VAL 21 -13.806 4.502 5.003 133 HG23 VAL 21 2HG2 VAL 21 -12.138 4.037 4.636 134 H LEU 22 H LEU 22 -9.753 4.930 5.820 135 HA LEU 22 HA LEU 22 -7.587 4.895 3.866 136 HB3 LEU 22 2HB LEU 22 -7.040 2.714 5.249 137 HG LEU 22 HG LEU 22 -7.120 5.494 6.517 138 HD11 LEU 22 1HD1 LEU 22 -5.644 4.662 8.262 139 HD12 LEU 22 2HD1 LEU 22 -5.669 3.043 7.549 140 HD13 LEU 22 3HD1 LEU 22 -7.145 3.718 8.276 141 HD21 LEU 22 3HD2 LEU 22 -5.551 5.451 4.695 142 HD22 LEU 22 1HD2 LEU 22 -5.018 3.824 5.115 143 HD23 LEU 22 2HD2 LEU 22 -4.553 5.155 6.150 144 HA PRO 23 HA PRO 23 -9.329 1.580 1.241 145 HB3 PRO 23 2HB PRO 23 -7.615 1.790 -0.240 146 HG3 PRO 23 2HG PRO 23 -5.501 2.608 0.462 147 HD3 PRO 23 2HD PRO 23 -6.925 4.124 1.559 148 HA PRO 24 HA PRO 24 -9.557 -2.035 3.803 149 HB3 PRO 24 2HB PRO 24 -11.014 -2.899 2.203 150 HG3 PRO 24 2HG PRO 24 -10.524 -2.771 -0.126 151 HD3 PRO 24 2HD PRO 24 -10.436 -0.562 0.698 152 H THR 25 H THR 25 -8.539 -4.494 4.019 153 HA THR 25 HA THR 25 -5.747 -4.566 3.258 154 HB THR 25 HB THR 25 -5.575 -5.304 5.957 155 HG1 THR 25 1HG THR 25 -7.486 -4.115 6.354 156 HG21 THR 25 3HG2 THR 25 -3.757 -4.288 4.824 157 HG22 THR 25 1HG2 THR 25 -4.167 -3.188 6.149 158 HG23 THR 25 2HG2 THR 25 -4.669 -2.819 4.483 159 HA PRO 26 HA PRO 26 -6.820 -8.778 3.009 160 HB3 PRO 26 2HB PRO 26 -4.840 -9.523 2.210 161 HG3 PRO 26 2HG PRO 26 -3.152 -8.012 2.379 162 HD3 PRO 26 2HD PRO 26 -4.128 -6.074 3.036 163 H LYS 27 H LYS 27 -7.570 -10.599 4.180 164 HA LYS 27 HA LYS 27 -7.888 -10.233 7.045 165 HB3 LYS 27 2HB LYS 27 -9.822 -11.021 5.873 166 HG3 LYS 27 2HG LYS 27 -7.968 -13.227 4.943 167 HD3 LYS 27 2HD LYS 27 -10.444 -14.218 4.299 168 HE3 LYS 27 2HE LYS 27 -8.606 -14.847 6.640 169 HZ1 LYS 27 3HZ LYS 27 -10.579 -15.809 7.326 170 HZ2 LYS 27 1HZ LYS 27 -9.795 -17.050 6.599 171 HZ3 LYS 27 2HZ LYS 27 -11.013 -16.334 5.807 172 H ASN 28 H ASN 28 -5.357 -10.261 6.969 173 HA ASN 28 HA ASN 28 -4.692 -12.850 8.131 174 HB3 ASN 28 2HB ASN 28 -2.277 -12.397 7.302 175 HD21 ASN 28 1HD2 ASN 28 -4.796 -12.491 4.641 176 HD22 ASN 28 2HD2 ASN 28 -4.823 -14.205 4.600 177 H ILE 29 H ILE 29 -4.058 -9.252 7.763 178 HA ILE 29 HA ILE 29 -3.362 -9.078 10.591 179 HB ILE 29 HB ILE 29 -1.279 -8.042 10.098 180 HG13 ILE 29 2HG1 ILE 29 -0.243 -7.948 7.971 181 HG21 ILE 29 1HG2 ILE 29 -1.211 -10.610 8.562 182 HG22 ILE 29 2HG2 ILE 29 0.165 -9.755 9.313 183 HG23 ILE 29 3HG2 ILE 29 -1.129 -10.428 10.337 184 HD11 ILE 29 3HD1 ILE 29 -1.251 -7.925 5.928 185 HD12 ILE 29 1HD1 ILE 29 -1.694 -9.480 6.656 186 HD13 ILE 29 2HD1 ILE 29 -2.883 -8.154 6.577 187 HA PRO 30 HA PRO 30 -4.916 -4.822 9.742 188 HB3 PRO 30 2HB PRO 30 -5.036 -4.642 12.076 189 HG3 PRO 30 2HG PRO 30 -3.311 -5.483 13.497 190 HD3 PRO 30 2HD PRO 30 -3.835 -7.374 12.196 191 H LEU 31 H LEU 31 -4.067 -2.557 9.224 192 HA LEU 31 HA LEU 31 -1.934 -2.312 7.592 193 HB3 LEU 31 2HB LEU 31 -2.970 -0.198 9.483 194 HG LEU 31 HG LEU 31 -0.624 -0.100 7.719 195 HD11 LEU 31 1HD1 LEU 31 -1.111 1.604 6.219 196 HD12 LEU 31 2HD1 LEU 31 -2.804 1.686 6.754 197 HD13 LEU 31 3HD1 LEU 31 -2.186 0.217 5.938 198 HD21 LEU 31 3HD2 LEU 31 -2.070 2.195 9.009 199 HD22 LEU 31 1HD2 LEU 31 -0.375 2.147 8.512 200 HD23 LEU 31 2HD2 LEU 31 -0.916 1.166 9.893 201 HA PRO 32 HA PRO 32 1.465 -1.274 10.888 202 HB3 PRO 32 2HB PRO 32 0.790 -0.425 12.863 203 HG3 PRO 32 2HG PRO 32 -1.417 -0.832 13.684 204 HD3 PRO 32 2HD PRO 32 -1.741 -0.234 11.371 205 H ALA 33 H ALA 33 -0.197 -4.188 10.256 206 HA ALA 33 HA ALA 33 2.440 -5.511 10.398 207 HB1 ALA 33 1HB ALA 33 1.103 -7.685 10.563 208 HB2 ALA 33 2HB ALA 33 1.392 -6.727 12.035 209 HB3 ALA 33 3HB ALA 33 -0.187 -6.650 11.222 210 H PHE 34 H PHE 34 0.063 -4.233 8.297 211 HA PHE 34 HA PHE 34 0.647 -6.206 6.239 212 HB3 PHE 34 2HB PHE 34 -0.582 -3.452 5.974 213 HD1 PHE 34 1HD PHE 34 -0.064 -6.935 4.427 214 HD2 PHE 34 2HD PHE 34 -1.696 -2.962 3.874 215 HE1 PHE 34 1HE PHE 34 -0.391 -7.390 2.041 216 HE2 PHE 34 2HE PHE 34 -1.945 -3.424 1.451 217 HZ PHE 34 HZ PHE 34 -1.258 -5.599 0.536 218 H GLY 35 H GLY 35 2.673 -3.711 7.424 219 HA2 GLY 35 1HA GLY 35 4.121 -3.620 4.833 220 HA3 GLY 35 2HA GLY 35 3.810 -2.258 5.845 221 H GLN 36 H GLN 36 4.615 -2.888 8.315 222 HA GLN 36 HA GLN 36 7.331 -2.481 8.400 223 HB3 GLN 36 2HB GLN 36 7.038 -3.327 10.810 224 HG3 GLN 36 2HG GLN 36 5.147 -1.283 9.548 225 HE21 GLN 36 1HE2 GLN 36 3.636 -0.145 10.822 226 HE22 GLN 36 2HE2 GLN 36 3.573 -0.283 12.562 227 H ARG 37 H ARG 37 5.755 -5.540 8.865 228 HA ARG 37 HA ARG 37 8.183 -7.232 8.793 229 HB3 ARG 37 2HB ARG 37 6.847 -8.846 9.892 230 HG3 ARG 37 2HG ARG 37 5.459 -6.447 11.074 231 HD3 ARG 37 2HD ARG 37 5.677 -8.925 12.042 232 HE ARG 37 HE ARG 37 8.368 -7.902 12.249 233 HH11 ARG 37 1HH1 ARG 37 6.074 -9.800 14.198 234 HH12 ARG 37 2HH1 ARG 37 7.345 -10.495 15.172 235 HH21 ARG 37 1HH2 ARG 37 9.899 -8.640 13.567 236 HH22 ARG 37 2HH2 ARG 37 9.553 -9.744 14.878 237 H ILE 38 H ILE 38 6.307 -6.058 6.385 238 HA ILE 38 HA ILE 38 6.066 -8.659 4.915 239 HB ILE 38 HB ILE 38 4.123 -6.312 4.971 240 HG13 ILE 38 2HG1 ILE 38 2.490 -7.655 5.907 241 HG21 ILE 38 1HG2 ILE 38 3.995 -8.835 3.262 242 HG22 ILE 38 2HG2 ILE 38 2.706 -7.603 3.422 243 HG23 ILE 38 3HG2 ILE 38 4.243 -7.191 2.677 244 HD11 ILE 38 3HD1 ILE 38 2.776 -9.848 5.005 245 HD12 ILE 38 1HD1 ILE 38 4.368 -10.032 5.824 246 HD13 ILE 38 2HD1 ILE 38 2.873 -9.943 6.769 247 H ILE 39 H ILE 39 5.811 -5.163 4.322 248 HA ILE 39 HA ILE 39 7.105 -5.293 1.724 249 HB ILE 39 HB ILE 39 5.978 -2.949 3.333 250 HG13 ILE 39 2HG1 ILE 39 3.850 -3.155 2.238 251 HG21 ILE 39 1HG2 ILE 39 5.575 -1.860 1.183 252 HG22 ILE 39 2HG2 ILE 39 7.284 -2.232 1.366 253 HG23 ILE 39 3HG2 ILE 39 6.301 -3.262 0.339 254 HD11 ILE 39 3HD1 ILE 39 3.124 -5.195 1.042 255 HD12 ILE 39 1HD1 ILE 39 4.283 -4.258 0.084 256 HD13 ILE 39 2HD1 ILE 39 4.821 -5.716 0.940 257 H GLY 40 H GLY 40 8.265 -5.161 4.868 258 HA2 GLY 40 1HA GLY 40 10.260 -4.500 5.843 259 HA3 GLY 40 2HA GLY 40 10.899 -4.396 4.210 260 H TRP 41 H TRP 41 8.155 -2.385 4.958 261 HA TRP 41 HA TRP 41 9.784 -0.069 4.278 262 HB3 TRP 41 2HB TRP 41 7.640 -0.852 3.151 263 HD1 TRP 41 HD TRP 41 6.824 -0.813 6.635 264 HE1 TRP 41 1HE TRP 41 4.449 -0.266 7.202 265 HE3 TRP 41 3HE TRP 41 5.250 0.710 1.981 266 HZ2 TRP 41 2HZ TRP 41 2.108 0.710 5.841 267 HZ3 TRP 41 3HZ TRP 41 2.863 1.217 1.628 268 HH2 TRP 41 HH TRP 41 1.296 1.293 3.584 269 H GLY 42 H GLY 42 9.835 -1.042 7.101 270 HA2 GLY 42 1HA GLY 42 9.572 -0.249 9.271 271 HA3 GLY 42 2HA GLY 42 10.247 1.227 8.568 272 H THR 43 H THR 43 9.052 2.930 8.939 273 HA THR 43 HA THR 43 6.182 2.926 8.818 274 HB THR 43 HB THR 43 6.598 3.624 11.664 275 HG1 THR 43 1HG THR 43 6.491 1.340 12.266 276 HG21 THR 43 3HG2 THR 43 4.420 3.451 10.543 277 HG22 THR 43 1HG2 THR 43 4.538 2.302 11.889 278 HG23 THR 43 2HG2 THR 43 4.714 1.732 10.208 279 H GLY 44 H GLY 44 8.633 4.590 8.498 280 HA2 GLY 44 1HA GLY 44 7.551 7.290 9.244 281 HA3 GLY 44 2HA GLY 44 9.037 6.674 9.964 282 H ALA 45 H ALA 45 7.741 6.703 6.711 283 HA ALA 45 HA ALA 45 8.379 7.328 4.661 284 HB1 ALA 45 1HB ALA 45 10.185 9.354 6.055 285 HB2 ALA 45 2HB ALA 45 9.702 9.378 4.358 286 HB3 ALA 45 3HB ALA 45 8.487 9.610 5.623 287 H GLU 46 H GLU 46 11.422 7.480 6.512 288 HA GLU 46 HA GLU 46 13.065 6.629 4.482 289 HB3 GLU 46 2HB GLU 46 13.957 5.701 7.111 290 HG3 GLU 46 2HG GLU 46 14.816 8.300 5.853 291 H GLY 47 H GLY 47 11.384 4.569 6.934 292 HA2 GLY 47 1HA GLY 47 12.430 2.088 6.432 293 HA3 GLY 47 2HA GLY 47 10.737 2.399 6.703 294 H ALA 48 H ALA 48 9.924 3.787 4.534 295 HA ALA 48 HA ALA 48 9.659 1.696 2.552 296 HB1 ALA 48 1HB ALA 48 8.196 3.382 1.392 297 HB2 ALA 48 2HB ALA 48 7.732 3.145 3.087 298 HB3 ALA 48 3HB ALA 48 8.660 4.578 2.616 299 H ARG 49 H ARG 49 11.662 4.668 2.831 300 HA ARG 49 HA ARG 49 12.505 4.709 0.054 301 HB3 ARG 49 2HB ARG 49 13.884 5.575 2.614 302 HG3 ARG 49 2HG ARG 49 14.589 6.747 -0.072 303 HD3 ARG 49 2HD ARG 49 15.779 6.579 2.716 304 HE ARG 49 HE ARG 49 17.336 6.646 0.238 305 HH11 ARG 49 1HH1 ARG 49 17.445 7.591 3.697 306 HH12 ARG 49 2HH1 ARG 49 19.130 7.373 3.792 307 HH21 ARG 49 1HH2 ARG 49 19.511 6.571 0.353 308 HH22 ARG 49 2HH2 ARG 49 20.384 6.709 1.841 309 H GLN 50 H GLN 50 13.653 2.975 3.000 310 HA GLN 50 HA GLN 50 16.049 2.051 1.839 311 HB3 GLN 50 2HB GLN 50 15.970 0.371 3.768 312 HG3 GLN 50 2HG GLN 50 16.250 1.853 5.596 313 HE21 GLN 50 1HE2 GLN 50 16.881 4.753 4.790 314 HE22 GLN 50 2HE2 GLN 50 18.319 4.630 3.805 315 H ARG 51 H ARG 51 12.740 0.724 1.780 316 HA ARG 51 HA ARG 51 13.866 -1.520 0.225 317 HB3 ARG 51 2HB ARG 51 11.450 -2.533 0.756 318 HG3 ARG 51 2HG ARG 51 12.356 -3.381 2.911 319 HD3 ARG 51 2HD ARG 51 14.426 -3.412 0.670 320 HE ARG 51 HE ARG 51 15.482 -4.376 2.490 321 HH11 ARG 51 1HH1 ARG 51 12.531 -6.280 1.653 322 HH12 ARG 51 2HH1 ARG 51 12.762 -7.341 2.967 323 HH21 ARG 51 1HH2 ARG 51 15.645 -5.740 4.254 324 HH22 ARG 51 2HH2 ARG 51 14.450 -6.984 4.555 325 H LEU 52 H LEU 52 12.905 1.283 -0.720 326 HA LEU 52 HA LEU 52 11.107 0.366 -2.912 327 HB3 LEU 52 2HB LEU 52 11.975 2.976 -1.690 328 HG LEU 52 HG LEU 52 11.926 3.795 -3.869 329 HD11 LEU 52 1HD1 LEU 52 9.520 2.072 -4.476 330 HD12 LEU 52 2HD1 LEU 52 11.091 2.058 -5.274 331 HD13 LEU 52 3HD1 LEU 52 10.019 3.443 -5.475 332 HD21 LEU 52 3HD2 LEU 52 10.480 4.824 -2.065 333 HD22 LEU 52 1HD2 LEU 52 9.089 4.078 -2.856 334 HD23 LEU 52 2HD2 LEU 52 10.085 5.289 -3.720 335 H GLU 53 H GLU 53 14.025 2.436 -2.549 336 HA GLU 53 HA GLU 53 14.319 2.691 -5.347 337 HB3 GLU 53 2HB GLU 53 16.229 4.067 -4.829 338 HG3 GLU 53 2HG GLU 53 14.626 4.339 -2.289 339 H ASN 54 H ASN 54 14.972 -0.037 -3.784 340 HA ASN 54 HA ASN 54 17.131 -0.952 -5.547 341 HB3 ASN 54 2HB ASN 54 18.336 0.137 -3.683 342 HD21 ASN 54 1HD2 ASN 54 16.574 1.032 -2.144 343 HD22 ASN 54 2HD2 ASN 54 16.256 0.136 -0.669 344 H ILE 55 H ILE 55 14.228 -1.600 -4.873 345 HA ILE 55 HA ILE 55 13.941 -3.864 -3.259 346 HB ILE 55 HB ILE 55 12.238 -2.255 -4.343 347 HG13 ILE 55 2HG1 ILE 55 11.792 -4.406 -2.946 348 HG21 ILE 55 1HG2 ILE 55 11.170 -3.005 -6.428 349 HG22 ILE 55 2HG2 ILE 55 12.901 -2.697 -6.725 350 HG23 ILE 55 3HG2 ILE 55 12.289 -4.343 -6.581 351 HD11 ILE 55 3HD1 ILE 55 9.625 -3.369 -4.809 352 HD12 ILE 55 1HD1 ILE 55 9.410 -4.125 -3.214 353 HD13 ILE 55 2HD1 ILE 55 10.199 -2.537 -3.347 354 H GLN 56 H GLN 56 13.235 -6.090 -4.147 355 HA GLN 56 HA GLN 56 14.996 -6.921 -6.381 356 HB3 GLN 56 2HB GLN 56 15.224 -9.075 -4.811 357 HG3 GLN 56 2HG GLN 56 16.879 -6.758 -5.283 358 HE21 GLN 56 1HE2 GLN 56 16.745 -5.186 -3.378 359 HE22 GLN 56 2HE2 GLN 56 17.589 -5.655 -1.942 360 HA PRO 57 HA PRO 57 11.598 -9.153 -7.974 361 HB3 PRO 57 2HB PRO 57 12.972 -9.972 -9.628 362 HG3 PRO 57 2HG PRO 57 15.222 -10.465 -9.222 363 HD3 PRO 57 2HD PRO 57 14.917 -8.328 -8.353 364 H ALA 58 H ALA 58 13.436 -10.509 -5.331 365 HA ALA 58 HA ALA 58 11.443 -12.563 -4.755 366 HB1 ALA 58 1HB ALA 58 12.805 -12.911 -2.711 367 HB2 ALA 58 2HB ALA 58 13.806 -12.904 -4.181 368 HB3 ALA 58 3HB ALA 58 13.769 -11.474 -3.115 369 H ASP 59 H ASP 59 12.103 -9.192 -3.723 370 HA ASP 59 HA ASP 59 10.566 -9.308 -1.329 371 HB3 ASP 59 2HB ASP 59 10.417 -6.657 -2.006 372 H VAL 60 H VAL 60 9.580 -9.009 -4.628 373 HA VAL 60 HA VAL 60 6.869 -8.074 -3.956 374 HB VAL 60 HB VAL 60 7.626 -7.361 -6.037 375 HG11 VAL 60 1HG1 VAL 60 8.178 -9.161 -7.875 376 HG12 VAL 60 2HG1 VAL 60 9.446 -8.590 -6.767 377 HG13 VAL 60 3HG1 VAL 60 8.623 -10.158 -6.543 378 HG21 VAL 60 3HG2 VAL 60 5.298 -8.285 -5.970 379 HG22 VAL 60 1HG2 VAL 60 6.010 -8.233 -7.594 380 HG23 VAL 60 2HG2 VAL 60 5.884 -9.772 -6.736 381 H SER 61 H SER 61 8.374 -11.109 -5.069 382 HA SER 61 HA SER 61 6.063 -12.535 -5.339 383 HB3 SER 61 2HB SER 61 8.274 -13.130 -6.279 384 HG SER 61 HG SER 61 9.327 -12.738 -4.093 385 H MET 62 H MET 62 7.776 -12.030 -2.495 386 HA MET 62 HA MET 62 6.834 -14.080 -0.763 387 HB3 MET 62 2HB MET 62 8.909 -12.738 -0.540 388 HG3 MET 62 2HG MET 62 7.201 -10.722 0.928 389 HE1 MET 62 3HE MET 62 10.652 -11.131 2.900 390 HE2 MET 62 1HE MET 62 8.902 -11.475 2.909 391 HE3 MET 62 2HE MET 62 10.006 -12.461 1.918 392 H ILE 63 H ILE 63 5.642 -10.776 -1.542 393 HA ILE 63 HA ILE 63 4.099 -10.562 0.781 394 HB ILE 63 HB ILE 63 3.774 -9.216 -1.931 395 HG13 ILE 63 2HG1 ILE 63 6.010 -8.943 -0.615 396 HG21 ILE 63 1HG2 ILE 63 2.568 -8.511 0.792 397 HG22 ILE 63 2HG2 ILE 63 2.625 -7.366 -0.565 398 HG23 ILE 63 3HG2 ILE 63 1.724 -8.861 -0.729 399 HD11 ILE 63 3HD1 ILE 63 5.404 -7.458 -2.457 400 HD12 ILE 63 1HD1 ILE 63 4.446 -6.448 -1.370 401 HD13 ILE 63 2HD1 ILE 63 6.196 -6.572 -1.138 402 H LYS 64 H LYS 64 3.312 -11.894 -2.340 403 HA LYS 64 HA LYS 64 0.523 -12.401 -2.059 404 HB3 LYS 64 2HB LYS 64 0.909 -14.240 -3.658 405 HG3 LYS 64 2HG LYS 64 1.549 -11.516 -4.079 406 HD3 LYS 64 2HD LYS 64 3.927 -12.232 -4.511 407 HE3 LYS 64 2HE LYS 64 4.304 -13.235 -6.796 408 HZ1 LYS 64 3HZ LYS 64 2.943 -15.316 -5.217 409 HZ2 LYS 64 1HZ LYS 64 4.389 -14.668 -4.737 410 HZ3 LYS 64 2HZ LYS 64 4.260 -15.418 -6.192 411 H LYS 65 H LYS 65 3.315 -14.258 -0.919 412 HA LYS 65 HA LYS 65 1.821 -16.573 -0.163 413 HB3 LYS 65 2HB LYS 65 3.969 -16.957 1.245 414 HG3 LYS 65 2HG LYS 65 3.495 -17.199 -1.539 415 HD3 LYS 65 2HD LYS 65 5.332 -15.398 -1.537 416 HE3 LYS 65 2HE LYS 65 6.998 -16.412 -0.038 417 HZ1 LYS 65 3HZ LYS 65 6.762 -18.697 -0.412 418 HZ2 LYS 65 1HZ LYS 65 8.270 -18.302 -0.830 419 HZ3 LYS 65 2HZ LYS 65 7.158 -18.607 -2.020 420 H GLN 66 H GLN 66 2.302 -13.496 1.370 421 HA GLN 66 HA GLN 66 1.522 -14.530 4.016 422 HB3 GLN 66 2HB GLN 66 1.782 -11.992 4.510 423 HG3 GLN 66 2HG GLN 66 3.363 -13.910 5.138 424 HE21 GLN 66 1HE2 GLN 66 5.506 -11.604 3.417 425 HE22 GLN 66 2HE2 GLN 66 6.160 -12.841 2.346 426 H GLY 67 H GLY 67 -0.238 -14.046 1.305 427 HA2 GLY 67 1HA GLY 67 -2.565 -14.348 1.419 428 HA3 GLY 67 2HA GLY 67 -2.621 -13.456 2.939 429 H THR 68 H THR 68 -1.076 -12.482 -0.185 430 HA THR 68 HA THR 68 -3.003 -10.228 -0.332 431 HB THR 68 HB THR 68 0.006 -10.128 -0.712 432 HG1 THR 68 1HG THR 68 -1.584 -10.122 1.521 433 HG21 THR 68 3HG2 THR 68 -0.262 -7.694 -0.307 434 HG22 THR 68 1HG2 THR 68 -2.015 -7.924 -0.206 435 HG23 THR 68 2HG2 THR 68 -1.142 -8.206 -1.741 436 H THR 69 H THR 69 -2.970 -9.103 -2.497 437 HA THR 69 HA THR 69 -2.416 -10.813 -4.827 438 HB THR 69 HB THR 69 -4.729 -9.976 -5.563 439 HG1 THR 69 1HG THR 69 -6.155 -9.574 -3.768 440 HG21 THR 69 3HG2 THR 69 -4.316 -12.301 -4.986 441 HG22 THR 69 1HG2 THR 69 -5.942 -11.804 -4.474 442 HG23 THR 69 2HG2 THR 69 -4.641 -11.983 -3.273 443 H LEU 70 H LEU 70 -2.749 -9.412 -6.855 444 HA LEU 70 HA LEU 70 -1.335 -6.938 -6.717 445 HB3 LEU 70 2HB LEU 70 -3.161 -8.117 -8.864 446 HG LEU 70 HG LEU 70 -2.837 -5.729 -9.389 447 HD11 LEU 70 1HD1 LEU 70 -0.806 -5.224 -8.126 448 HD12 LEU 70 2HD1 LEU 70 -0.533 -4.879 -9.830 449 HD13 LEU 70 3HD1 LEU 70 0.133 -6.377 -9.138 450 HD21 LEU 70 3HD2 LEU 70 -1.049 -7.595 -11.025 451 HD22 LEU 70 1HD2 LEU 70 -1.762 -6.064 -11.579 452 HD23 LEU 70 2HD2 LEU 70 -2.807 -7.432 -11.194 453 H GLU 71 H GLU 71 -4.764 -7.718 -6.546 454 HA GLU 71 HA GLU 71 -5.967 -5.183 -6.651 455 HB3 GLU 71 2HB GLU 71 -7.436 -6.311 -4.800 456 HG3 GLU 71 2HG GLU 71 -7.710 -8.178 -6.985 457 H MET 72 H MET 72 -4.031 -6.605 -4.042 458 HA MET 72 HA MET 72 -4.906 -4.563 -2.119 459 HB3 MET 72 2HB MET 72 -2.487 -5.948 -1.374 460 HG3 MET 72 2HG MET 72 -4.203 -4.858 0.121 461 HE1 MET 72 3HE MET 72 -6.415 -8.918 0.174 462 HE2 MET 72 1HE MET 72 -5.587 -8.475 -1.335 463 HE3 MET 72 2HE MET 72 -4.658 -8.643 0.170 464 H ILE 73 H ILE 73 -2.559 -4.730 -4.670 465 HA ILE 73 HA ILE 73 -0.914 -2.614 -3.424 466 HB ILE 73 HB ILE 73 -0.168 -4.460 -5.678 467 HG13 ILE 73 2HG1 ILE 73 1.216 -5.778 -4.113 468 HG21 ILE 73 1HG2 ILE 73 1.288 -2.449 -5.594 469 HG22 ILE 73 2HG2 ILE 73 1.588 -2.723 -3.884 470 HG23 ILE 73 3HG2 ILE 73 2.200 -3.853 -5.118 471 HD11 ILE 73 3HD1 ILE 73 0.689 -5.775 -1.701 472 HD12 ILE 73 1HD1 ILE 73 1.504 -4.278 -2.178 473 HD13 ILE 73 2HD1 ILE 73 -0.245 -4.274 -1.885 474 H THR 74 H THR 74 -3.532 -2.307 -4.791 475 HA THR 74 HA THR 74 -2.587 -0.327 -6.837 476 HB THR 74 HB THR 74 -5.194 -0.840 -7.546 477 HG1 THR 74 1HG THR 74 -4.034 -3.363 -6.923 478 HG21 THR 74 3HG2 THR 74 -2.693 -2.306 -8.512 479 HG22 THR 74 1HG2 THR 74 -3.224 -0.700 -9.048 480 HG23 THR 74 2HG2 THR 74 -4.210 -2.123 -9.423 481 H ALA 75 H ALA 75 -4.755 -0.970 -4.115 482 HA ALA 75 HA ALA 75 -5.896 1.766 -4.494 483 HB1 ALA 75 1HB ALA 75 -7.266 -0.295 -3.828 484 HB2 ALA 75 2HB ALA 75 -6.626 -0.001 -2.172 485 HB3 ALA 75 3HB ALA 75 -7.575 1.231 -3.000 486 H TRP 76 H TRP 76 -3.730 0.027 -2.220 487 HA TRP 76 HA TRP 76 -3.395 2.245 -0.403 488 HB3 TRP 76 2HB TRP 76 -1.194 0.961 -0.002 489 HD1 TRP 76 HD TRP 76 -3.569 -1.957 -0.152 490 HE1 TRP 76 1HE TRP 76 -4.907 -2.190 1.954 491 HE3 TRP 76 3HE TRP 76 -2.193 2.403 2.159 492 HZ2 TRP 76 2HZ TRP 76 -5.313 -0.715 4.457 493 HZ3 TRP 76 3HZ TRP 76 -3.056 2.914 4.462 494 HH2 TRP 76 HH TRP 76 -4.720 1.402 5.510 495 H GLN 77 H GLN 77 -2.013 1.321 -3.531 496 HA GLN 77 HA GLN 77 0.171 3.181 -3.443 497 HB3 GLN 77 2HB GLN 77 -1.292 2.005 -5.865 498 HG3 GLN 77 2HG GLN 77 1.424 3.322 -5.446 499 HE21 GLN 77 1HE2 GLN 77 1.499 3.999 -8.245 500 HE22 GLN 77 2HE2 GLN 77 1.959 2.461 -9.067 501 H ASP 78 H ASP 78 -2.983 3.238 -5.240 502 HA ASP 78 HA ASP 78 -2.660 5.903 -5.972 503 HB3 ASP 78 2HB ASP 78 -5.494 5.260 -5.818 504 H PHE 79 H PHE 79 -4.086 4.583 -2.963 505 HA PHE 79 HA PHE 79 -5.276 6.971 -2.004 506 HB3 PHE 79 2HB PHE 79 -3.905 4.710 -0.468 507 HD1 PHE 79 2HD PHE 79 -7.111 6.436 0.266 508 HD2 PHE 79 1HD PHE 79 -2.944 6.112 1.346 509 HE1 PHE 79 2HE PHE 79 -7.530 7.758 2.319 510 HE2 PHE 79 1HE PHE 79 -3.363 7.427 3.374 511 HZ PHE 79 HZ PHE 79 -5.662 8.267 3.879 512 H TYR 80 H TYR 80 -1.928 5.681 -1.462 513 HA TYR 80 HA TYR 80 -1.175 8.026 0.008 514 HB3 TYR 80 2HB TYR 80 1.193 7.204 -0.520 515 HD1 TYR 80 1HD TYR 80 -0.480 7.535 1.935 516 HD2 TYR 80 2HD TYR 80 1.043 4.034 -0.027 517 HE1 TYR 80 1HE TYR 80 -0.776 6.267 4.028 518 HE2 TYR 80 2HE TYR 80 0.613 2.689 1.987 519 HH TYR 80 HH TYR 80 -0.647 2.786 4.147 520 H GLU 81 H GLU 81 -1.028 7.155 -3.446 521 HA GLU 81 HA GLU 81 0.472 9.480 -4.251 522 HB3 GLU 81 2HB GLU 81 -0.542 8.981 -6.505 523 HG3 GLU 81 2HG GLU 81 0.620 6.479 -5.265 524 H GLN 82 H GLN 82 -3.008 8.992 -3.589 525 HA GLN 82 HA GLN 82 -3.853 11.490 -4.650 526 HB3 GLN 82 2HB GLN 82 -5.651 11.023 -2.670 527 HG3 GLN 82 2HG GLN 82 -5.891 10.913 -5.317 528 HE21 GLN 82 1HE2 GLN 82 -4.896 9.392 -6.606 529 HE22 GLN 82 2HE2 GLN 82 -5.194 7.703 -6.643 530 H GLU 83 H GLU 83 -2.504 10.630 -1.383 531 HA GLU 83 HA GLU 83 -3.419 13.172 -0.341 532 HB3 GLU 83 2HB GLU 83 -3.423 11.358 1.194 533 HG3 GLU 83 2HG GLU 83 -0.423 11.170 0.793 534 H GLN 84 H GLN 84 -0.551 12.107 -2.064 535 HA GLN 84 HA GLN 84 1.207 14.088 -1.263 536 HB3 GLN 84 2HB GLN 84 1.583 13.880 -4.045 537 HG3 GLN 84 2HG GLN 84 3.295 13.523 -2.306 538 HE21 GLN 84 1HE2 GLN 84 2.189 10.286 -3.120 539 HE22 GLN 84 2HE2 GLN 84 1.803 9.823 -1.494 540 H GLN 85 H GLN 85 -1.623 14.403 -3.325 541 HA GLN 85 HA GLN 85 -0.894 16.921 -4.538 542 HB3 GLN 85 2HB GLN 85 -3.231 17.145 -5.097 543 HG3 GLN 85 2HG GLN 85 -2.586 14.181 -5.382 544 HE21 GLN 85 1HE2 GLN 85 -4.931 13.880 -5.403 545 HE22 GLN 85 2HE2 GLN 85 -5.966 14.718 -6.563 546 H ARG 86 H ARG 86 -2.975 16.108 -1.796 547 HA ARG 86 HA ARG 86 -3.714 18.841 -1.167 548 HB3 ARG 86 2HB ARG 86 -5.220 17.175 -0.417 549 HG3 ARG 86 2HG ARG 86 -3.016 15.979 1.287 550 HD3 ARG 86 2HD ARG 86 -5.420 15.862 2.188 551 HE ARG 86 HE ARG 86 -5.966 14.798 -0.367 552 HH11 ARG 86 1HH1 ARG 86 -6.261 13.549 2.950 553 HH12 ARG 86 2HH1 ARG 86 -7.811 12.848 2.678 554 HH21 ARG 86 1HH2 ARG 86 -7.854 13.661 -0.794 555 HH22 ARG 86 2HH2 ARG 86 -8.672 12.795 0.478 556 H ASN 87 H ASN 87 -1.260 16.625 0.284 557 HA ASN 87 HA ASN 87 0.053 19.024 1.402 558 HB3 ASN 87 2HB ASN 87 -0.566 18.331 3.428 559 HD21 ASN 87 1HD2 ASN 87 0.190 15.072 2.088 560 HD22 ASN 87 2HD2 ASN 87 -1.146 14.283 2.962 561 H GLU 88 H GLU 88 1.576 19.180 -0.098 562 HA GLU 88 HA GLU 88 3.051 17.040 -1.261 563 HB3 GLU 88 2HB GLU 88 2.843 19.292 -2.189 564 HG3 GLU 88 2HG GLU 88 3.622 20.409 0.231 565 H ASN 89 H ASN 89 3.302 18.723 1.817 566 HA ASN 89 HA ASN 89 6.053 18.146 2.320 567 HB3 ASN 89 2HB ASN 89 5.526 18.810 4.685 568 HD21 ASN 89 1HD2 ASN 89 5.888 20.236 1.704 569 HD22 ASN 89 2HD2 ASN 89 5.491 21.830 2.222 570 H ASN 90 H ASN 90 3.894 15.809 1.901 571 HA ASN 90 HA ASN 90 4.581 14.143 4.252 572 HB3 ASN 90 2HB ASN 90 2.774 12.644 2.827 573 HD21 ASN 90 1HD2 ASN 90 0.811 12.237 4.124 574 HD22 ASN 90 2HD2 ASN 90 0.756 13.104 5.667 575 HA PRO 91 HA PRO 91 7.401 12.127 1.291 576 HB3 PRO 91 2HB PRO 91 9.252 13.061 2.426 577 HG3 PRO 91 2HG PRO 91 9.130 13.508 4.784 578 HD3 PRO 91 2HD PRO 91 7.453 14.699 3.724 579 H THR 92 H THR 92 5.809 11.131 4.392 580 HA THR 92 HA THR 92 6.714 8.460 4.304 581 HB THR 92 HB THR 92 4.195 9.633 5.514 582 HG1 THR 92 1HG THR 92 5.450 9.800 7.329 583 HG21 THR 92 3HG2 THR 92 4.013 7.147 5.402 584 HG22 THR 92 1HG2 THR 92 4.340 7.645 7.071 585 HG23 THR 92 2HG2 THR 92 5.649 6.986 6.068 586 H ALA 93 H ALA 93 3.537 9.801 3.220 587 HA ALA 93 HA ALA 93 2.627 7.472 1.911 588 HB1 ALA 93 1HB ALA 93 1.168 9.150 0.712 589 HB2 ALA 93 2HB ALA 93 1.174 9.270 2.481 590 HB3 ALA 93 3HB ALA 93 2.086 10.439 1.511 591 H LYS 94 H LYS 94 4.531 10.259 0.644 592 HA LYS 94 HA LYS 94 4.702 9.565 -1.975 593 HB3 LYS 94 2HB LYS 94 7.037 10.714 -0.401 594 HG3 LYS 94 2HG LYS 94 6.092 10.851 -3.244 595 HD3 LYS 94 2HD LYS 94 6.064 13.143 -2.755 596 HE3 LYS 94 2HE LYS 94 8.802 12.814 -1.452 597 HZ1 LYS 94 3HZ LYS 94 8.734 14.865 -2.683 598 HZ2 LYS 94 1HZ LYS 94 8.622 15.214 -1.092 599 HZ3 LYS 94 2HZ LYS 94 7.295 15.297 -2.080 600 H TYR 95 H TYR 95 7.098 8.356 0.452 601 HA TYR 95 HA TYR 95 8.282 6.570 -1.503 602 HB3 TYR 95 2HB TYR 95 9.341 5.476 0.461 603 HD1 TYR 95 2HD TYR 95 10.927 6.778 -1.261 604 HD2 TYR 95 1HD TYR 95 9.293 8.446 2.361 605 HE1 TYR 95 2HE TYR 95 12.672 8.513 -1.280 606 HE2 TYR 95 1HE TYR 95 11.021 10.231 2.309 607 HH TYR 95 HH TYR 95 12.313 11.371 0.511 608 H ARG 96 H ARG 96 5.662 6.015 0.993 609 HA ARG 96 HA ARG 96 5.523 3.213 0.674 610 HB3 ARG 96 2HB ARG 96 3.086 3.483 1.330 611 HG3 ARG 96 2HG ARG 96 4.902 5.101 3.050 612 HD3 ARG 96 2HD ARG 96 2.413 3.564 3.640 613 HE ARG 96 HE ARG 96 4.622 3.373 5.272 614 HH11 ARG 96 1HH1 ARG 96 1.178 4.358 5.596 615 HH12 ARG 96 2HH1 ARG 96 1.195 4.145 7.320 616 HH21 ARG 96 1HH2 ARG 96 4.402 2.762 7.538 617 HH22 ARG 96 2HH2 ARG 96 2.925 3.174 8.362 618 H ALA 97 H ALA 97 3.697 5.712 -1.186 619 HA ALA 97 HA ALA 97 2.246 3.939 -2.877 620 HB1 ALA 97 1HB ALA 97 1.499 6.115 -3.144 621 HB2 ALA 97 2HB ALA 97 3.114 6.835 -2.927 622 HB3 ALA 97 3HB ALA 97 2.668 6.084 -4.462 623 H ARG 98 H ARG 98 5.381 5.618 -3.351 624 HA ARG 98 HA ARG 98 5.888 4.554 -5.906 625 HB3 ARG 98 2HB ARG 98 8.352 5.093 -5.168 626 HG3 ARG 98 2HG ARG 98 6.111 7.157 -5.184 627 HD3 ARG 98 2HD ARG 98 9.108 7.425 -4.955 628 HE ARG 98 HE ARG 98 7.520 9.614 -6.160 629 HH11 ARG 98 1HH1 ARG 98 10.117 7.160 -6.672 630 HH12 ARG 98 2HH1 ARG 98 10.706 7.986 -8.085 631 HH21 ARG 98 1HH2 ARG 98 8.399 10.611 -8.005 632 HH22 ARG 98 2HH2 ARG 98 9.769 9.899 -8.831 633 H LEU 99 H LEU 99 6.533 3.120 -2.723 634 HA LEU 99 HA LEU 99 8.065 0.893 -3.619 635 HB3 LEU 99 2HB LEU 99 6.213 0.571 -1.279 636 HG LEU 99 HG LEU 99 9.173 0.178 -1.859 637 HD11 LEU 99 1HD1 LEU 99 8.930 1.180 0.399 638 HD12 LEU 99 2HD1 LEU 99 9.410 -0.518 0.535 639 HD13 LEU 99 3HD1 LEU 99 7.720 -0.040 0.824 640 HD21 LEU 99 3HD2 LEU 99 8.807 -2.110 -1.139 641 HD22 LEU 99 1HD2 LEU 99 8.002 -1.637 -2.626 642 HD23 LEU 99 2HD2 LEU 99 7.057 -1.734 -1.111 643 H MET 100 H MET 100 4.525 1.231 -3.124 644 HA MET 100 HA MET 100 3.721 -1.335 -3.949 645 HB3 MET 100 2HB MET 100 1.603 -0.247 -4.644 646 HG3 MET 100 2HG MET 100 1.501 1.330 -2.381 647 HE1 MET 100 3HE MET 100 1.303 -0.555 0.031 648 HE2 MET 100 1HE MET 100 -0.022 -1.747 -0.099 649 HE3 MET 100 2HE MET 100 1.615 -2.197 -0.587 650 H LYS 101 H LYS 101 4.235 1.591 -5.967 651 HA LYS 101 HA LYS 101 3.480 0.577 -8.429 652 HB3 LYS 101 2HB LYS 101 5.857 2.448 -8.119 653 HG3 LYS 101 2HG LYS 101 3.831 1.679 -10.211 654 HD3 LYS 101 2HD LYS 101 3.326 4.098 -9.768 655 HE3 LYS 101 2HE LYS 101 5.600 5.123 -11.216 656 HZ1 LYS 101 3HZ LYS 101 5.661 6.633 -9.385 657 HZ2 LYS 101 1HZ LYS 101 4.697 5.639 -8.454 658 HZ3 LYS 101 2HZ LYS 101 4.111 6.361 -9.786 659 H LYS 102 H LYS 102 6.661 0.319 -6.965 660 HA LYS 102 HA LYS 102 7.923 -1.122 -9.155 661 HB3 LYS 102 2HB LYS 102 9.011 -1.660 -6.484 662 HG3 LYS 102 2HG LYS 102 10.016 -0.468 -9.069 663 HD3 LYS 102 2HD LYS 102 11.441 -0.638 -6.402 664 HE3 LYS 102 2HE LYS 102 12.716 -1.270 -8.612 665 HZ1 LYS 102 3HZ LYS 102 12.284 0.537 -9.995 666 HZ2 LYS 102 1HZ LYS 102 13.802 0.829 -9.434 667 HZ3 LYS 102 2HZ LYS 102 12.553 1.672 -8.810 668 H ILE 103 H ILE 103 6.430 -2.243 -6.061 669 HA ILE 103 HA ILE 103 6.880 -5.024 -6.478 670 HB ILE 103 HB ILE 103 4.772 -3.429 -4.984 671 HG13 ILE 103 2HG1 ILE 103 7.311 -3.539 -4.357 672 HG21 ILE 103 1HG2 ILE 103 3.783 -5.648 -5.537 673 HG22 ILE 103 2HG2 ILE 103 5.186 -6.432 -4.782 674 HG23 ILE 103 3HG2 ILE 103 4.069 -5.443 -3.816 675 HD11 ILE 103 3HD1 ILE 103 6.862 -3.813 -1.947 676 HD12 ILE 103 1HD1 ILE 103 5.829 -2.634 -2.773 677 HD13 ILE 103 2HD1 ILE 103 5.179 -4.234 -2.316 678 H ALA 104 H ALA 104 4.108 -2.972 -7.639 679 HA ALA 104 HA ALA 104 2.805 -5.158 -8.930 680 HB1 ALA 104 1HB ALA 104 1.454 -3.443 -9.960 681 HB2 ALA 104 2HB ALA 104 1.722 -3.021 -8.262 682 HB3 ALA 104 3HB ALA 104 2.641 -2.184 -9.543 683 H ASP 105 H ASP 105 5.543 -3.384 -9.864 684 HA ASP 105 HA ASP 105 5.321 -3.731 -12.789 685 HB3 ASP 105 2HB ASP 105 7.705 -2.903 -11.063 686 H LEU 106 H LEU 106 6.368 -5.544 -10.074 687 HA LEU 106 HA LEU 106 8.033 -7.421 -11.678 688 HB3 LEU 106 2HB LEU 106 8.945 -8.037 -9.484 689 HG LEU 106 HG LEU 106 9.050 -5.080 -10.119 690 HD11 LEU 106 1HD1 LEU 106 10.739 -4.828 -8.382 691 HD12 LEU 106 2HD1 LEU 106 10.500 -6.505 -7.845 692 HD13 LEU 106 3HD1 LEU 106 9.192 -5.310 -7.669 693 HD21 LEU 106 3HD2 LEU 106 10.267 -6.749 -11.558 694 HD22 LEU 106 1HD2 LEU 106 11.153 -7.268 -10.090 695 HD23 LEU 106 2HD2 LEU 106 11.339 -5.615 -10.721 696 H TRP 107 H TRP 107 4.901 -7.210 -10.976 697 HA TRP 107 HA TRP 107 4.495 -9.484 -9.372 698 HB3 TRP 107 2HB TRP 107 2.333 -8.266 -11.132 699 HD1 TRP 107 HD TRP 107 0.482 -9.971 -10.512 700 HE1 TRP 107 1HE TRP 107 -0.601 -10.799 -8.416 701 HE3 TRP 107 3HE TRP 107 3.555 -7.654 -7.193 702 HZ2 TRP 107 2HZ TRP 107 -0.369 -10.245 -5.504 703 HZ3 TRP 107 3HZ TRP 107 3.034 -7.758 -4.722 704 HH2 TRP 107 HH TRP 107 1.019 -8.916 -3.921 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -19.791 5.043 10.861 2 HA2 GLY 1 1HA GLY 1 -20.856 5.218 8.586 3 HA3 GLY 1 2HA GLY 1 -19.303 5.919 8.069 4 H THR 2 H THR 2 -19.687 3.851 6.637 5 HA THR 2 HA THR 2 -19.067 1.786 5.992 6 HB THR 2 HB THR 2 -17.878 1.247 8.749 7 HG1 THR 2 1HG THR 2 -15.949 1.729 7.792 8 HG21 THR 2 3HG2 THR 2 -17.605 -0.116 6.056 9 HG22 THR 2 1HG2 THR 2 -18.372 -0.790 7.512 10 HG23 THR 2 2HG2 THR 2 -16.632 -0.502 7.503 11 H ASP 3 H ASP 3 -20.858 0.494 5.633 12 HA ASP 3 HA ASP 3 -22.142 -0.837 7.794 13 HB3 ASP 3 2HB ASP 3 -24.144 0.848 6.326 14 H PHE 4 H PHE 4 -24.203 -2.097 6.734 15 HA PHE 4 HA PHE 4 -24.466 -2.136 3.892 16 HB3 PHE 4 2HB PHE 4 -22.494 -3.571 3.963 17 HD1 PHE 4 1HD PHE 4 -24.780 -6.186 5.274 18 HD2 PHE 4 2HD PHE 4 -21.246 -3.825 6.075 19 HE1 PHE 4 1HE PHE 4 -24.150 -7.717 7.117 20 HE2 PHE 4 2HE PHE 4 -20.627 -5.391 7.890 21 HZ PHE 4 HZ PHE 4 -22.097 -7.318 8.430 22 H GLY 5 H GLY 5 -26.069 -4.153 3.410 23 HA2 GLY 5 1HA GLY 5 -27.544 -5.744 4.589 24 HA3 GLY 5 2HA GLY 5 -27.971 -4.440 5.699 25 H THR 6 H THR 6 -27.860 -4.841 2.058 26 HA THR 6 HA THR 6 -30.671 -3.862 1.991 27 HB THR 6 HB THR 6 -28.844 -3.163 -0.279 28 HG1 THR 6 1HG THR 6 -28.049 -1.424 0.615 29 HG21 THR 6 3HG2 THR 6 -30.302 -1.217 -0.396 30 HG22 THR 6 1HG2 THR 6 -30.989 -1.575 1.217 31 HG23 THR 6 2HG2 THR 6 -31.308 -2.643 -0.149 32 H THR 7 H THR 7 -30.124 -6.569 2.135 33 HA THR 7 HA THR 7 -29.051 -7.637 -0.229 34 HB THR 7 HB THR 7 -29.030 -8.452 2.205 35 HG1 THR 7 1HG THR 7 -28.000 -9.600 0.749 36 HG21 THR 7 3HG2 THR 7 -31.503 -8.672 2.516 37 HG22 THR 7 1HG2 THR 7 -30.591 -10.145 2.887 38 HG23 THR 7 2HG2 THR 7 -31.495 -10.028 1.366 39 H ASN 8 H ASN 8 -32.199 -6.476 -0.074 40 HA ASN 8 HA ASN 8 -33.167 -8.412 -2.125 41 HB3 ASN 8 2HB ASN 8 -34.806 -7.540 0.276 42 HD21 ASN 8 1HD2 ASN 8 -37.018 -7.862 -0.151 43 HD22 ASN 8 2HD2 ASN 8 -37.594 -8.945 -1.414 44 H ASN 9 H ASN 9 -32.071 -5.789 -2.539 45 HA ASN 9 HA ASN 9 -34.503 -4.365 -3.531 46 HB3 ASN 9 2HB ASN 9 -33.465 -2.220 -2.875 47 HD21 ASN 9 1HD2 ASN 9 -35.690 -2.347 -1.928 48 HD22 ASN 9 2HD2 ASN 9 -35.829 -2.873 -0.260 49 H PHE 10 H PHE 10 -34.202 -4.893 -5.655 50 HA PHE 10 HA PHE 10 -31.640 -4.838 -6.973 51 HB3 PHE 10 2HB PHE 10 -33.001 -5.247 -8.993 52 HD1 PHE 10 2HD PHE 10 -31.579 -7.271 -8.518 53 HD2 PHE 10 1HD PHE 10 -35.426 -6.686 -6.638 54 HE1 PHE 10 2HE PHE 10 -31.636 -9.662 -7.869 55 HE2 PHE 10 1HE PHE 10 -35.455 -9.071 -5.970 56 HZ PHE 10 HZ PHE 10 -33.569 -10.563 -6.589 57 H VAL 11 H VAL 11 -31.059 -2.576 -6.213 58 HA VAL 11 HA VAL 11 -31.533 -0.789 -8.455 59 HB VAL 11 HB VAL 11 -33.360 -0.066 -7.078 60 HG11 VAL 11 1HG1 VAL 11 -31.443 0.271 -4.735 61 HG12 VAL 11 2HG1 VAL 11 -33.150 0.756 -4.781 62 HG13 VAL 11 3HG1 VAL 11 -32.720 -0.956 -4.872 63 HG21 VAL 11 3HG2 VAL 11 -31.075 1.903 -6.675 64 HG22 VAL 11 1HG2 VAL 11 -31.973 1.682 -8.186 65 HG23 VAL 11 2HG2 VAL 11 -32.811 2.270 -6.739 66 H SER 12 H SER 12 -29.675 0.378 -8.872 67 HA SER 12 HA SER 12 -27.281 -0.422 -7.556 68 HB3 SER 12 2HB SER 12 -26.187 1.191 -9.010 69 HG SER 12 HG SER 12 -27.503 -0.729 -9.862 70 HA PRO 13 HA PRO 13 -27.290 2.680 -4.274 71 HB3 PRO 13 2HB PRO 13 -25.766 1.290 -3.184 72 HG3 PRO 13 2HG PRO 13 -23.998 0.199 -4.401 73 HD3 PRO 13 2HD PRO 13 -25.985 -0.476 -5.486 74 H ASN 14 H ASN 14 -25.793 4.584 -3.628 75 HA ASN 14 HA ASN 14 -24.698 6.076 -5.923 76 HB3 ASN 14 2HB ASN 14 -27.059 6.103 -6.007 77 HD21 ASN 14 1HD2 ASN 14 -29.036 5.946 -5.077 78 HD22 ASN 14 2HD2 ASN 14 -29.376 6.479 -3.438 79 H LEU 15 H LEU 15 -24.273 5.315 -2.766 80 HA LEU 15 HA LEU 15 -23.838 7.930 -1.568 81 HB3 LEU 15 2HB LEU 15 -23.092 5.153 -0.595 82 HG LEU 15 HG LEU 15 -22.236 7.439 0.583 83 HD11 LEU 15 1HD1 LEU 15 -24.502 8.425 0.675 84 HD12 LEU 15 2HD1 LEU 15 -23.737 8.254 2.268 85 HD13 LEU 15 3HD1 LEU 15 -25.012 7.103 1.753 86 HD21 LEU 15 3HD2 LEU 15 -23.478 5.138 2.146 87 HD22 LEU 15 1HD2 LEU 15 -22.260 6.298 2.748 88 HD23 LEU 15 2HD2 LEU 15 -21.841 5.174 1.448 89 H GLN 16 H GLN 16 -22.362 8.383 -3.560 90 HA GLN 16 HA GLN 16 -19.598 7.449 -3.278 91 HB3 GLN 16 2HB GLN 16 -20.459 7.876 -5.477 92 HG3 GLN 16 2HG GLN 16 -20.859 10.757 -4.586 93 HE21 GLN 16 1HE2 GLN 16 -22.133 10.362 -7.670 94 HE22 GLN 16 2HE2 GLN 16 -20.694 10.842 -8.584 95 H LEU 17 H LEU 17 -20.695 8.734 -0.917 96 HA LEU 17 HA LEU 17 -18.955 11.126 -0.622 97 HB3 LEU 17 2HB LEU 17 -21.046 12.130 -0.965 98 HG LEU 17 HG LEU 17 -22.225 9.799 0.486 99 HD11 LEU 17 1HD1 LEU 17 -23.197 12.607 1.079 100 HD12 LEU 17 2HD1 LEU 17 -22.499 11.467 2.243 101 HD13 LEU 17 3HD1 LEU 17 -24.064 11.102 1.490 102 HD21 LEU 17 3HD2 LEU 17 -24.170 10.319 -0.875 103 HD22 LEU 17 1HD2 LEU 17 -22.717 10.327 -1.883 104 HD23 LEU 17 2HD2 LEU 17 -23.444 11.861 -1.380 105 H LYS 18 H LYS 18 -17.405 9.990 0.493 106 HA LYS 18 HA LYS 18 -18.167 8.797 3.078 107 HB3 LYS 18 2HB LYS 18 -16.834 6.788 2.590 108 HG3 LYS 18 2HG LYS 18 -18.909 7.215 0.387 109 HD3 LYS 18 2HD LYS 18 -17.743 5.043 0.204 110 HE3 LYS 18 2HE LYS 18 -18.592 4.908 3.109 111 HZ1 LYS 18 3HZ LYS 18 -18.272 2.580 1.312 112 HZ2 LYS 18 1HZ LYS 18 -19.575 2.962 2.268 113 HZ3 LYS 18 2HZ LYS 18 -18.153 2.518 2.945 114 H GLN 19 H GLN 19 -15.929 8.122 4.221 115 HA GLN 19 HA GLN 19 -14.288 10.536 4.109 116 HB3 GLN 19 2HB GLN 19 -15.128 9.905 6.198 117 HG3 GLN 19 2HG GLN 19 -14.851 7.350 5.915 118 HE21 GLN 19 1HE2 GLN 19 -13.664 5.670 6.791 119 HE22 GLN 19 2HE2 GLN 19 -11.906 5.691 7.101 120 H ASN 20 H ASN 20 -11.815 9.769 4.681 121 HA ASN 20 HA ASN 20 -10.943 8.953 1.983 122 HB3 ASN 20 2HB ASN 20 -9.256 9.819 4.352 123 HD21 ASN 20 1HD2 ASN 20 -8.377 7.924 2.119 124 HD22 ASN 20 2HD2 ASN 20 -7.170 8.878 1.260 125 H VAL 21 H VAL 21 -11.931 6.778 2.552 126 HA VAL 21 HA VAL 21 -10.799 5.176 4.540 127 HB VAL 21 HB VAL 21 -11.996 4.129 1.960 128 HG11 VAL 21 1HG1 VAL 21 -12.026 3.007 4.808 129 HG12 VAL 21 2HG1 VAL 21 -12.807 2.268 3.401 130 HG13 VAL 21 3HG1 VAL 21 -11.058 2.373 3.461 131 HG21 VAL 21 3HG2 VAL 21 -13.427 5.230 4.416 132 HG22 VAL 21 1HG2 VAL 21 -13.637 5.707 2.715 133 HG23 VAL 21 2HG2 VAL 21 -14.213 4.146 3.263 134 H LEU 22 H LEU 22 -9.166 3.705 4.623 135 HA LEU 22 HA LEU 22 -6.876 3.932 2.943 136 HB3 LEU 22 2HB LEU 22 -6.155 1.812 4.194 137 HG LEU 22 HG LEU 22 -7.261 4.051 5.933 138 HD11 LEU 22 1HD1 LEU 22 -5.807 3.127 7.704 139 HD12 LEU 22 2HD1 LEU 22 -5.376 1.762 6.655 140 HD13 LEU 22 3HD1 LEU 22 -7.047 1.954 7.225 141 HD21 LEU 22 3HD2 LEU 22 -4.412 3.425 5.066 142 HD22 LEU 22 1HD2 LEU 22 -4.931 4.761 6.111 143 HD23 LEU 22 2HD2 LEU 22 -5.412 4.747 4.414 144 HA PRO 23 HA PRO 23 -7.587 0.552 -0.056 145 HB3 PRO 23 2HB PRO 23 -5.569 0.768 -1.064 146 HG3 PRO 23 2HG PRO 23 -3.813 1.895 0.058 147 HD3 PRO 23 2HD PRO 23 -5.658 3.255 0.608 148 HA PRO 24 HA PRO 24 -7.910 -3.100 2.593 149 HB3 PRO 24 2HB PRO 24 -9.288 -3.892 0.873 150 HG3 PRO 24 2HG PRO 24 -8.618 -3.743 -1.414 151 HD3 PRO 24 2HD PRO 24 -8.551 -1.529 -0.689 152 H THR 25 H THR 25 -6.734 -5.474 2.710 153 HA THR 25 HA THR 25 -3.837 -5.289 2.210 154 HB THR 25 HB THR 25 -3.901 -6.326 4.751 155 HG1 THR 25 1HG THR 25 -5.434 -5.551 5.942 156 HG21 THR 25 3HG2 THR 25 -2.438 -4.503 3.958 157 HG22 THR 25 1HG2 THR 25 -3.138 -4.127 5.546 158 HG23 THR 25 2HG2 THR 25 -3.795 -3.377 4.072 159 HA PRO 26 HA PRO 26 -4.425 -9.697 1.685 160 HB3 PRO 26 2HB PRO 26 -2.216 -10.098 1.184 161 HG3 PRO 26 2HG PRO 26 -0.644 -8.629 1.933 162 HD3 PRO 26 2HD PRO 26 -2.000 -6.760 2.031 163 H LYS 27 H LYS 27 -5.368 -11.274 2.898 164 HA LYS 27 HA LYS 27 -6.245 -10.507 5.460 165 HB3 LYS 27 2HB LYS 27 -7.642 -11.652 3.757 166 HG3 LYS 27 2HG LYS 27 -5.962 -14.092 4.514 167 HD3 LYS 27 2HD LYS 27 -8.207 -14.204 2.527 168 HE3 LYS 27 2HE LYS 27 -7.009 -16.087 4.607 169 HZ1 LYS 27 3HZ LYS 27 -8.975 -16.737 2.507 170 HZ2 LYS 27 1HZ LYS 27 -9.335 -16.530 4.102 171 HZ3 LYS 27 2HZ LYS 27 -8.323 -17.749 3.664 172 H ASN 28 H ASN 28 -3.389 -11.008 5.637 173 HA ASN 28 HA ASN 28 -3.188 -13.516 7.146 174 HB3 ASN 28 2HB ASN 28 -0.734 -13.242 6.457 175 HD21 ASN 28 1HD2 ASN 28 -2.545 -12.546 3.473 176 HD22 ASN 28 2HD2 ASN 28 -2.839 -14.200 3.040 177 H ILE 29 H ILE 29 -2.274 -9.999 7.069 178 HA ILE 29 HA ILE 29 -1.815 -10.034 9.946 179 HB ILE 29 HB ILE 29 0.372 -9.139 9.810 180 HG13 ILE 29 2HG1 ILE 29 1.667 -8.626 7.874 181 HG21 ILE 29 1HG2 ILE 29 1.745 -10.861 8.840 182 HG22 ILE 29 2HG2 ILE 29 0.331 -11.539 9.686 183 HG23 ILE 29 3HG2 ILE 29 0.374 -11.473 7.902 184 HD11 ILE 29 3HD1 ILE 29 -0.738 -9.201 6.101 185 HD12 ILE 29 1HD1 ILE 29 0.792 -8.467 5.656 186 HD13 ILE 29 2HD1 ILE 29 0.779 -10.156 6.144 187 HA PRO 30 HA PRO 30 -3.641 -5.999 9.202 188 HB3 PRO 30 2HB PRO 30 -3.871 -5.904 11.519 189 HG3 PRO 30 2HG PRO 30 -2.083 -6.495 12.981 190 HD3 PRO 30 2HD PRO 30 -2.270 -8.413 11.612 191 H LEU 31 H LEU 31 -3.172 -3.591 8.842 192 HA LEU 31 HA LEU 31 -1.180 -2.978 7.110 193 HB3 LEU 31 2HB LEU 31 -2.607 -1.179 9.086 194 HG LEU 31 HG LEU 31 -2.358 0.540 7.230 195 HD11 LEU 31 1HD1 LEU 31 -1.319 0.851 9.457 196 HD12 LEU 31 2HD1 LEU 31 -0.442 1.623 8.137 197 HD13 LEU 31 3HD1 LEU 31 0.189 0.131 8.833 198 HD21 LEU 31 3HD2 LEU 31 0.250 -0.862 6.596 199 HD22 LEU 31 1HD2 LEU 31 -0.431 0.568 5.823 200 HD23 LEU 31 2HD2 LEU 31 -1.208 -1.011 5.593 201 HA PRO 32 HA PRO 32 2.002 -1.395 10.225 202 HB3 PRO 32 2HB PRO 32 1.194 -0.470 12.124 203 HG3 PRO 32 2HG PRO 32 -0.760 -1.310 13.163 204 HD3 PRO 32 2HD PRO 32 -1.316 -0.968 10.890 205 H ALA 33 H ALA 33 0.951 -4.500 9.719 206 HA ALA 33 HA ALA 33 3.664 -5.554 10.369 207 HB1 ALA 33 1HB ALA 33 2.678 -7.797 10.105 208 HB2 ALA 33 2HB ALA 33 2.020 -6.905 11.491 209 HB3 ALA 33 3HB ALA 33 1.069 -7.036 9.999 210 H PHE 34 H PHE 34 1.048 -5.269 7.916 211 HA PHE 34 HA PHE 34 2.265 -6.725 5.941 212 HB3 PHE 34 2HB PHE 34 0.422 -4.366 5.536 213 HD1 PHE 34 1HD PHE 34 1.689 -7.652 4.020 214 HD2 PHE 34 2HD PHE 34 -0.174 -3.799 3.267 215 HE1 PHE 34 1HE PHE 34 1.919 -7.989 1.629 216 HE2 PHE 34 2HE PHE 34 -0.029 -4.216 0.866 217 HZ PHE 34 HZ PHE 34 1.120 -6.236 0.026 218 H GLY 35 H GLY 35 3.338 -3.601 6.889 219 HA2 GLY 35 1HA GLY 35 5.133 -3.433 4.510 220 HA3 GLY 35 2HA GLY 35 4.711 -2.104 5.551 221 H GLN 36 H GLN 36 5.073 -2.755 8.016 222 HA GLN 36 HA GLN 36 7.744 -2.402 8.392 223 HB3 GLN 36 2HB GLN 36 7.447 -2.816 10.749 224 HG3 GLN 36 2HG GLN 36 4.844 -1.676 9.661 225 HE21 GLN 36 1HE2 GLN 36 4.130 0.174 11.099 226 HE22 GLN 36 2HE2 GLN 36 4.232 -0.070 12.830 227 H ARG 37 H ARG 37 6.196 -5.625 8.396 228 HA ARG 37 HA ARG 37 8.891 -6.855 8.910 229 HB3 ARG 37 2HB ARG 37 7.569 -8.752 9.877 230 HG3 ARG 37 2HG ARG 37 7.022 -6.114 11.290 231 HD3 ARG 37 2HD ARG 37 7.492 -8.997 12.139 232 HE ARG 37 HE ARG 37 7.561 -6.912 14.198 233 HH11 ARG 37 1HH1 ARG 37 9.536 -9.176 12.256 234 HH12 ARG 37 2HH1 ARG 37 10.967 -8.874 13.188 235 HH21 ARG 37 1HH2 ARG 37 9.401 -6.523 15.317 236 HH22 ARG 37 2HH2 ARG 37 10.915 -7.332 14.963 237 H ILE 38 H ILE 38 7.147 -6.193 6.382 238 HA ILE 38 HA ILE 38 7.415 -8.892 5.094 239 HB ILE 38 HB ILE 38 5.281 -6.804 4.716 240 HG13 ILE 38 2HG1 ILE 38 3.668 -8.221 5.768 241 HG21 ILE 38 1HG2 ILE 38 4.074 -8.526 3.357 242 HG22 ILE 38 2HG2 ILE 38 5.570 -7.939 2.630 243 HG23 ILE 38 3HG2 ILE 38 5.541 -9.532 3.414 244 HD11 ILE 38 3HD1 ILE 38 4.321 -10.215 7.089 245 HD12 ILE 38 1HD1 ILE 38 4.355 -10.440 5.334 246 HD13 ILE 38 2HD1 ILE 38 5.881 -10.231 6.241 247 H ILE 39 H ILE 39 7.350 -5.345 4.660 248 HA ILE 39 HA ILE 39 8.841 -5.514 2.119 249 HB ILE 39 HB ILE 39 7.521 -3.134 3.527 250 HG13 ILE 39 2HG1 ILE 39 5.603 -3.322 2.092 251 HG21 ILE 39 1HG2 ILE 39 9.109 -2.411 1.835 252 HG22 ILE 39 2HG2 ILE 39 8.465 -3.550 0.666 253 HG23 ILE 39 3HG2 ILE 39 7.482 -2.160 1.194 254 HD11 ILE 39 3HD1 ILE 39 6.376 -4.516 0.111 255 HD12 ILE 39 1HD1 ILE 39 6.769 -5.941 1.109 256 HD13 ILE 39 2HD1 ILE 39 5.085 -5.448 0.883 257 H GLY 40 H GLY 40 9.366 -5.103 5.509 258 HA2 GLY 40 1HA GLY 40 11.234 -4.514 6.720 259 HA3 GLY 40 2HA GLY 40 12.157 -4.558 5.222 260 H TRP 41 H TRP 41 9.578 -2.398 4.902 261 HA TRP 41 HA TRP 41 11.254 -0.139 4.564 262 HB3 TRP 41 2HB TRP 41 9.139 -0.728 3.309 263 HD1 TRP 41 HD TRP 41 8.176 -0.908 6.778 264 HE1 TRP 41 1HE TRP 41 5.781 -0.406 7.284 265 HE3 TRP 41 3HE TRP 41 6.695 0.794 2.129 266 HZ2 TRP 41 2HZ TRP 41 3.499 0.837 5.955 267 HZ3 TRP 41 3HZ TRP 41 4.319 1.428 1.808 268 HH2 TRP 41 HH TRP 41 2.765 1.559 3.717 269 H GLY 42 H GLY 42 11.302 -1.081 7.364 270 HA2 GLY 42 1HA GLY 42 11.027 -0.418 9.540 271 HA3 GLY 42 2HA GLY 42 11.490 1.176 8.935 272 H THR 43 H THR 43 10.077 2.706 9.225 273 HA THR 43 HA THR 43 7.256 2.514 8.933 274 HB THR 43 HB THR 43 7.262 0.996 10.837 275 HG1 THR 43 1HG THR 43 6.252 3.525 11.456 276 HG21 THR 43 3HG2 THR 43 9.329 1.648 11.940 277 HG22 THR 43 1HG2 THR 43 7.980 1.598 13.068 278 HG23 THR 43 2HG2 THR 43 8.578 3.168 12.481 279 H GLY 44 H GLY 44 9.527 4.408 8.596 280 HA2 GLY 44 1HA GLY 44 8.274 6.885 9.681 281 HA3 GLY 44 2HA GLY 44 9.804 6.386 10.386 282 H ALA 45 H ALA 45 8.951 6.085 6.972 283 HA ALA 45 HA ALA 45 9.419 7.255 5.075 284 HB1 ALA 45 1HB ALA 45 10.979 9.354 6.628 285 HB2 ALA 45 2HB ALA 45 10.375 9.431 4.975 286 HB3 ALA 45 3HB ALA 45 9.233 9.442 6.335 287 H GLU 46 H GLU 46 12.216 7.512 7.315 288 HA GLU 46 HA GLU 46 14.213 6.925 5.417 289 HB3 GLU 46 2HB GLU 46 15.403 6.259 7.680 290 HG3 GLU 46 2HG GLU 46 14.828 8.952 8.215 291 H GLY 47 H GLY 47 12.286 4.733 7.529 292 HA2 GLY 47 1HA GLY 47 13.632 2.341 7.084 293 HA3 GLY 47 2HA GLY 47 11.899 2.504 7.257 294 H ALA 48 H ALA 48 11.232 3.961 4.961 295 HA ALA 48 HA ALA 48 11.395 1.899 2.902 296 HB1 ALA 48 1HB ALA 48 9.307 3.131 3.189 297 HB2 ALA 48 2HB ALA 48 10.135 4.672 2.907 298 HB3 ALA 48 3HB ALA 48 9.996 3.476 1.592 299 H ARG 49 H ARG 49 13.099 4.967 3.556 300 HA ARG 49 HA ARG 49 14.202 5.325 0.910 301 HB3 ARG 49 2HB ARG 49 15.270 6.090 3.662 302 HG3 ARG 49 2HG ARG 49 15.970 7.455 1.057 303 HD3 ARG 49 2HD ARG 49 17.287 7.516 3.778 304 HE ARG 49 HE ARG 49 17.657 9.123 1.405 305 HH11 ARG 49 1HH1 ARG 49 17.901 9.081 4.981 306 HH12 ARG 49 2HH1 ARG 49 18.891 10.499 5.065 307 HH21 ARG 49 1HH2 ARG 49 18.758 11.230 1.597 308 HH22 ARG 49 2HH2 ARG 49 19.341 11.700 3.168 309 H GLN 50 H GLN 50 15.525 3.856 3.907 310 HA GLN 50 HA GLN 50 17.989 3.127 2.687 311 HB3 GLN 50 2HB GLN 50 18.444 1.956 4.766 312 HG3 GLN 50 2HG GLN 50 17.954 3.605 6.495 313 HE21 GLN 50 1HE2 GLN 50 18.083 6.510 5.492 314 HE22 GLN 50 2HE2 GLN 50 19.723 6.581 4.880 315 H ARG 51 H ARG 51 14.829 1.615 2.628 316 HA ARG 51 HA ARG 51 16.099 -0.778 1.449 317 HB3 ARG 51 2HB ARG 51 13.848 -1.947 2.086 318 HG3 ARG 51 2HG ARG 51 14.679 -2.553 4.293 319 HD3 ARG 51 2HD ARG 51 17.137 -2.381 2.508 320 HE ARG 51 HE ARG 51 16.333 -4.080 4.686 321 HH11 ARG 51 1HH1 ARG 51 18.109 -4.403 1.548 322 HH12 ARG 51 2HH1 ARG 51 18.401 -6.062 1.806 323 HH21 ARG 51 1HH2 ARG 51 17.084 -6.025 5.132 324 HH22 ARG 51 2HH2 ARG 51 18.018 -6.979 4.009 325 H LEU 52 H LEU 52 15.391 1.752 0.079 326 HA LEU 52 HA LEU 52 13.637 0.572 -2.063 327 HB3 LEU 52 2HB LEU 52 14.199 3.310 -1.016 328 HG LEU 52 HG LEU 52 14.481 3.832 -3.342 329 HD11 LEU 52 1HD1 LEU 52 11.968 2.252 -3.874 330 HD12 LEU 52 2HD1 LEU 52 13.569 1.972 -4.560 331 HD13 LEU 52 3HD1 LEU 52 12.652 3.414 -5.016 332 HD21 LEU 52 3HD2 LEU 52 11.641 4.428 -2.461 333 HD22 LEU 52 1HD2 LEU 52 12.638 5.400 -3.569 334 HD23 LEU 52 2HD2 LEU 52 13.106 5.238 -1.872 335 H GLU 53 H GLU 53 16.377 2.796 -1.598 336 HA GLU 53 HA GLU 53 16.985 2.867 -4.356 337 HB3 GLU 53 2HB GLU 53 18.763 4.394 -3.611 338 HG3 GLU 53 2HG GLU 53 16.399 4.721 -1.712 339 H ASN 54 H ASN 54 17.542 0.336 -2.486 340 HA ASN 54 HA ASN 54 19.894 -0.678 -3.933 341 HB3 ASN 54 2HB ASN 54 20.995 0.055 -2.069 342 HD21 ASN 54 1HD2 ASN 54 17.824 -1.298 -0.591 343 HD22 ASN 54 2HD2 ASN 54 17.910 -0.022 0.607 344 H ILE 55 H ILE 55 16.831 -1.291 -3.768 345 HA ILE 55 HA ILE 55 16.486 -3.669 -2.304 346 HB ILE 55 HB ILE 55 14.789 -2.068 -3.307 347 HG13 ILE 55 2HG1 ILE 55 14.466 -4.630 -2.369 348 HG21 ILE 55 1HG2 ILE 55 13.925 -2.479 -5.511 349 HG22 ILE 55 2HG2 ILE 55 15.686 -2.257 -5.656 350 HG23 ILE 55 3HG2 ILE 55 14.978 -3.880 -5.740 351 HD11 ILE 55 3HD1 ILE 55 12.341 -2.724 -3.398 352 HD12 ILE 55 1HD1 ILE 55 12.053 -4.113 -2.315 353 HD13 ILE 55 2HD1 ILE 55 13.077 -2.759 -1.787 354 H GLN 56 H GLN 56 15.849 -5.840 -3.121 355 HA GLN 56 HA GLN 56 17.587 -6.799 -5.309 356 HB3 GLN 56 2HB GLN 56 18.957 -7.465 -3.788 357 HG3 GLN 56 2HG GLN 56 17.961 -8.843 -1.940 358 HE21 GLN 56 1HE2 GLN 56 18.699 -5.500 -2.633 359 HE22 GLN 56 2HE2 GLN 56 19.152 -5.103 -1.022 360 HA PRO 57 HA PRO 57 13.634 -8.458 -6.535 361 HB3 PRO 57 2HB PRO 57 14.529 -9.147 -8.517 362 HG3 PRO 57 2HG PRO 57 16.755 -9.925 -8.674 363 HD3 PRO 57 2HD PRO 57 16.880 -7.879 -7.499 364 H ALA 58 H ALA 58 15.841 -10.440 -4.641 365 HA ALA 58 HA ALA 58 13.995 -12.514 -3.927 366 HB1 ALA 58 1HB ALA 58 15.544 -12.804 -2.022 367 HB2 ALA 58 2HB ALA 58 16.400 -12.631 -3.577 368 HB3 ALA 58 3HB ALA 58 16.339 -11.265 -2.436 369 H ASP 59 H ASP 59 14.447 -9.145 -2.812 370 HA ASP 59 HA ASP 59 12.917 -9.420 -0.407 371 HB3 ASP 59 2HB ASP 59 13.377 -6.871 -1.967 372 H VAL 60 H VAL 60 12.221 -8.925 -3.800 373 HA VAL 60 HA VAL 60 9.462 -8.060 -3.391 374 HB VAL 60 HB VAL 60 10.968 -8.950 -5.888 375 HG11 VAL 60 1HG1 VAL 60 9.084 -8.041 -7.154 376 HG12 VAL 60 2HG1 VAL 60 8.563 -9.396 -6.158 377 HG13 VAL 60 3HG1 VAL 60 8.199 -7.737 -5.648 378 HG21 VAL 60 3HG2 VAL 60 11.874 -6.883 -5.123 379 HG22 VAL 60 1HG2 VAL 60 10.668 -6.417 -6.337 380 HG23 VAL 60 2HG2 VAL 60 10.282 -6.276 -4.623 381 H SER 61 H SER 61 11.138 -11.082 -4.495 382 HA SER 61 HA SER 61 8.737 -12.442 -4.695 383 HB3 SER 61 2HB SER 61 10.225 -14.514 -4.782 384 HG SER 61 HG SER 61 11.009 -13.732 -6.785 385 H MET 62 H MET 62 10.655 -12.101 -1.952 386 HA MET 62 HA MET 62 9.507 -14.126 -0.331 387 HB3 MET 62 2HB MET 62 11.682 -13.098 0.154 388 HG3 MET 62 2HG MET 62 10.014 -10.824 1.306 389 HE1 MET 62 3HE MET 62 12.148 -11.470 4.412 390 HE2 MET 62 1HE MET 62 10.590 -11.650 3.586 391 HE3 MET 62 2HE MET 62 11.859 -12.876 3.354 392 H ILE 63 H ILE 63 8.272 -10.931 -1.218 393 HA ILE 63 HA ILE 63 6.398 -10.763 0.956 394 HB ILE 63 HB ILE 63 6.477 -9.494 -1.822 395 HG13 ILE 63 2HG1 ILE 63 8.361 -8.983 -0.076 396 HG21 ILE 63 1HG2 ILE 63 4.933 -7.742 -0.827 397 HG22 ILE 63 2HG2 ILE 63 4.228 -9.313 -1.120 398 HG23 ILE 63 3HG2 ILE 63 4.674 -8.842 0.540 399 HD11 ILE 63 3HD1 ILE 63 8.504 -6.665 -0.735 400 HD12 ILE 63 1HD1 ILE 63 7.902 -7.611 -2.110 401 HD13 ILE 63 2HD1 ILE 63 6.785 -6.622 -1.179 402 H LYS 64 H LYS 64 6.263 -12.253 -2.271 403 HA LYS 64 HA LYS 64 3.412 -12.731 -2.187 404 HB3 LYS 64 2HB LYS 64 3.805 -14.346 -3.969 405 HG3 LYS 64 2HG LYS 64 4.276 -11.649 -4.113 406 HD3 LYS 64 2HD LYS 64 6.762 -12.394 -4.273 407 HE3 LYS 64 2HE LYS 64 5.632 -13.127 -6.996 408 HZ1 LYS 64 3HZ LYS 64 7.504 -11.513 -7.313 409 HZ2 LYS 64 1HZ LYS 64 7.671 -12.956 -8.026 410 HZ3 LYS 64 2HZ LYS 64 8.533 -12.669 -6.698 411 H LYS 65 H LYS 65 6.156 -14.448 -0.797 412 HA LYS 65 HA LYS 65 4.711 -16.832 -0.135 413 HB3 LYS 65 2HB LYS 65 6.589 -16.959 1.686 414 HG3 LYS 65 2HG LYS 65 6.548 -17.633 -1.044 415 HD3 LYS 65 2HD LYS 65 8.140 -15.534 -1.146 416 HE3 LYS 65 2HE LYS 65 10.443 -15.932 -0.675 417 HZ1 LYS 65 3HZ LYS 65 9.093 -15.918 1.498 418 HZ2 LYS 65 1HZ LYS 65 10.635 -16.492 1.535 419 HZ3 LYS 65 2HZ LYS 65 9.399 -17.542 1.556 420 H GLN 66 H GLN 66 4.528 -13.627 1.200 421 HA GLN 66 HA GLN 66 3.347 -14.707 3.695 422 HB3 GLN 66 2HB GLN 66 3.279 -12.175 4.226 423 HG3 GLN 66 2HG GLN 66 4.870 -14.066 5.101 424 HE21 GLN 66 1HE2 GLN 66 6.960 -11.436 3.782 425 HE22 GLN 66 2HE2 GLN 66 7.825 -12.538 2.737 426 H GLY 67 H GLY 67 2.131 -14.594 0.732 427 HA2 GLY 67 1HA GLY 67 -0.123 -14.999 0.288 428 HA3 GLY 67 2HA GLY 67 -0.551 -14.320 1.857 429 H THR 68 H THR 68 1.339 -12.963 -0.865 430 HA THR 68 HA THR 68 -0.518 -10.649 -0.936 431 HB THR 68 HB THR 68 2.462 -10.576 -1.456 432 HG1 THR 68 1HG THR 68 2.831 -10.960 0.505 433 HG21 THR 68 3HG2 THR 68 1.205 -8.568 -2.093 434 HG22 THR 68 1HG2 THR 68 2.196 -8.217 -0.685 435 HG23 THR 68 2HG2 THR 68 0.456 -8.510 -0.477 436 H THR 69 H THR 69 -0.784 -9.597 -3.007 437 HA THR 69 HA THR 69 0.303 -10.948 -5.392 438 HB THR 69 HB THR 69 -1.929 -10.462 -6.423 439 HG1 THR 69 1HG THR 69 -3.640 -10.075 -5.090 440 HG21 THR 69 3HG2 THR 69 -3.052 -12.430 -5.322 441 HG22 THR 69 1HG2 THR 69 -1.830 -12.394 -4.050 442 HG23 THR 69 2HG2 THR 69 -1.331 -12.712 -5.708 443 H LEU 70 H LEU 70 -0.014 -9.436 -7.312 444 HA LEU 70 HA LEU 70 1.416 -7.054 -6.931 445 HB3 LEU 70 2HB LEU 70 -0.427 -8.001 -9.176 446 HG LEU 70 HG LEU 70 0.130 -5.607 -9.540 447 HD11 LEU 70 1HD1 LEU 70 2.215 -5.391 -8.255 448 HD12 LEU 70 2HD1 LEU 70 2.513 -4.999 -9.951 449 HD13 LEU 70 3HD1 LEU 70 3.020 -6.577 -9.306 450 HD21 LEU 70 3HD2 LEU 70 1.671 -7.609 -11.261 451 HD22 LEU 70 1HD2 LEU 70 1.149 -5.974 -11.744 452 HD23 LEU 70 2HD2 LEU 70 -0.054 -7.218 -11.412 453 H GLU 71 H GLU 71 -2.056 -7.667 -6.952 454 HA GLU 71 HA GLU 71 -3.180 -5.127 -7.107 455 HB3 GLU 71 2HB GLU 71 -4.347 -7.013 -5.111 456 HG3 GLU 71 2HG GLU 71 -5.321 -6.375 -7.897 457 H MET 72 H MET 72 -1.526 -6.728 -4.437 458 HA MET 72 HA MET 72 -2.480 -4.831 -2.424 459 HB3 MET 72 2HB MET 72 -0.215 -6.400 -1.614 460 HG3 MET 72 2HG MET 72 -2.053 -5.555 -0.192 461 HE1 MET 72 3HE MET 72 -3.244 -8.690 -2.479 462 HE2 MET 72 1HE MET 72 -2.865 -9.290 -0.848 463 HE3 MET 72 2HE MET 72 -4.547 -9.273 -1.432 464 H ILE 73 H ILE 73 0.050 -4.871 -4.727 465 HA ILE 73 HA ILE 73 1.842 -3.164 -3.075 466 HB ILE 73 HB ILE 73 2.186 -4.411 -5.835 467 HG13 ILE 73 2HG1 ILE 73 3.822 -5.918 -4.632 468 HG21 ILE 73 1HG2 ILE 73 4.276 -3.073 -4.074 469 HG22 ILE 73 2HG2 ILE 73 4.547 -3.875 -5.635 470 HG23 ILE 73 3HG2 ILE 73 3.573 -2.411 -5.567 471 HD11 ILE 73 3HD1 ILE 73 3.974 -4.782 -2.402 472 HD12 ILE 73 1HD1 ILE 73 2.259 -5.149 -2.110 473 HD13 ILE 73 2HD1 ILE 73 3.426 -6.462 -2.279 474 H THR 74 H THR 74 0.079 -3.212 -6.160 475 HA THR 74 HA THR 74 0.393 -0.501 -6.879 476 HB THR 74 HB THR 74 -1.731 -1.017 -8.226 477 HG1 THR 74 1HG THR 74 -1.235 -3.689 -7.433 478 HG21 THR 74 3HG2 THR 74 0.560 -1.348 -9.159 479 HG22 THR 74 1HG2 THR 74 -0.572 -2.577 -9.746 480 HG23 THR 74 2HG2 THR 74 0.607 -2.983 -8.484 481 H ALA 75 H ALA 75 -2.193 -2.062 -4.852 482 HA ALA 75 HA ALA 75 -3.729 0.328 -4.810 483 HB1 ALA 75 1HB ALA 75 -4.694 -1.859 -4.341 484 HB2 ALA 75 2HB ALA 75 -3.719 -1.995 -2.849 485 HB3 ALA 75 3HB ALA 75 -4.985 -0.756 -2.986 486 H TRP 76 H TRP 76 -0.950 -0.543 -2.868 487 HA TRP 76 HA TRP 76 -1.500 1.655 -0.946 488 HB3 TRP 76 2HB TRP 76 0.697 0.823 0.058 489 HD1 TRP 76 HD TRP 76 -1.368 -2.373 -0.421 490 HE1 TRP 76 1HE TRP 76 -2.982 -2.681 1.460 491 HE3 TRP 76 3HE TRP 76 -0.676 2.109 2.010 492 HZ2 TRP 76 2HZ TRP 76 -3.803 -1.271 3.867 493 HZ3 TRP 76 3HZ TRP 76 -1.753 2.466 4.233 494 HH2 TRP 76 HH TRP 76 -3.419 0.856 5.079 495 H GLN 77 H GLN 77 0.585 0.844 -3.735 496 HA GLN 77 HA GLN 77 2.481 2.927 -3.517 497 HB3 GLN 77 2HB GLN 77 1.173 1.552 -5.896 498 HG3 GLN 77 2HG GLN 77 3.693 3.255 -5.942 499 HE21 GLN 77 1HE2 GLN 77 3.986 3.749 -8.535 500 HE22 GLN 77 2HE2 GLN 77 4.098 2.213 -9.407 501 H ASP 78 H ASP 78 -0.552 2.891 -5.482 502 HA ASP 78 HA ASP 78 -0.310 5.517 -6.405 503 HB3 ASP 78 2HB ASP 78 -2.921 4.899 -6.709 504 H PHE 79 H PHE 79 -2.045 4.170 -3.602 505 HA PHE 79 HA PHE 79 -3.446 6.435 -2.705 506 HB3 PHE 79 2HB PHE 79 -1.987 4.295 -1.087 507 HD1 PHE 79 2HD PHE 79 -1.308 5.957 0.658 508 HD2 PHE 79 1HD PHE 79 -5.437 5.373 -0.438 509 HE1 PHE 79 2HE PHE 79 -2.003 7.311 2.593 510 HE2 PHE 79 1HE PHE 79 -6.147 6.608 1.583 511 HZ PHE 79 HZ PHE 79 -4.427 7.654 3.076 512 H TYR 80 H TYR 80 0.005 5.563 -2.059 513 HA TYR 80 HA TYR 80 0.378 8.020 -0.503 514 HB3 TYR 80 2HB TYR 80 2.770 7.264 -0.489 515 HD1 TYR 80 2HD TYR 80 1.022 7.542 1.691 516 HD2 TYR 80 1HD TYR 80 2.180 3.914 -0.327 517 HE1 TYR 80 2HE TYR 80 0.554 6.279 3.733 518 HE2 TYR 80 1HE TYR 80 1.677 2.611 1.697 519 HH TYR 80 HH TYR 80 0.195 3.928 4.615 520 H GLU 81 H GLU 81 1.038 6.947 -3.822 521 HA GLU 81 HA GLU 81 2.631 9.130 -4.754 522 HB3 GLU 81 2HB GLU 81 1.274 8.443 -6.937 523 HG3 GLU 81 2HG GLU 81 2.845 6.268 -5.517 524 H GLN 82 H GLN 82 -0.952 8.867 -4.379 525 HA GLN 82 HA GLN 82 -1.480 11.430 -5.384 526 HB3 GLN 82 2HB GLN 82 -3.560 11.080 -3.758 527 HG3 GLN 82 2HG GLN 82 -3.657 11.059 -6.231 528 HE21 GLN 82 1HE2 GLN 82 -1.443 10.025 -7.083 529 HE22 GLN 82 2HE2 GLN 82 -1.610 8.437 -7.782 530 H GLU 83 H GLU 83 0.089 10.721 -2.325 531 HA GLU 83 HA GLU 83 -0.739 13.182 -1.015 532 HB3 GLU 83 2HB GLU 83 1.325 12.765 0.416 533 HG3 GLU 83 2HG GLU 83 0.458 10.702 1.464 534 H GLN 84 H GLN 84 1.633 12.274 -3.365 535 HA GLN 84 HA GLN 84 3.436 14.493 -2.715 536 HB3 GLN 84 2HB GLN 84 4.692 13.546 -4.739 537 HG3 GLN 84 2HG GLN 84 4.066 12.216 -2.107 538 HE21 GLN 84 1HE2 GLN 84 3.416 10.041 -2.464 539 HE22 GLN 84 2HE2 GLN 84 4.495 8.928 -3.283 540 H GLN 85 H GLN 85 1.082 13.734 -5.308 541 HA GLN 85 HA GLN 85 1.548 16.127 -6.768 542 HB3 GLN 85 2HB GLN 85 0.222 14.463 -7.812 543 HG3 GLN 85 2HG GLN 85 -1.692 14.733 -5.483 544 HE21 GLN 85 1HE2 GLN 85 -3.769 13.513 -5.629 545 HE22 GLN 85 2HE2 GLN 85 -4.607 13.773 -7.133 546 H ARG 86 H ARG 86 -0.574 15.540 -3.932 547 HA ARG 86 HA ARG 86 -1.565 18.227 -3.905 548 HB3 ARG 86 2HB ARG 86 -2.877 16.509 -2.860 549 HG3 ARG 86 2HG ARG 86 -0.617 16.297 -0.830 550 HD3 ARG 86 2HD ARG 86 -1.970 14.470 0.158 551 HE ARG 86 HE ARG 86 -3.581 16.873 0.559 552 HH11 ARG 86 1HH1 ARG 86 -0.851 14.868 1.900 553 HH12 ARG 86 2HH1 ARG 86 -0.151 16.263 2.671 554 HH21 ARG 86 1HH2 ARG 86 -2.712 18.540 1.919 555 HH22 ARG 86 2HH2 ARG 86 -1.361 18.193 2.946 556 H ASN 87 H ASN 87 1.471 16.851 -2.336 557 HA ASN 87 HA ASN 87 2.217 19.534 -1.941 558 HB3 ASN 87 2HB ASN 87 0.769 18.876 0.153 559 HD21 ASN 87 1HD2 ASN 87 1.590 16.174 0.010 560 HD22 ASN 87 2HD2 ASN 87 2.125 15.817 1.608 561 H GLU 88 H GLU 88 4.314 19.780 -1.709 562 HA GLU 88 HA GLU 88 5.994 17.645 -2.663 563 HB3 GLU 88 2HB GLU 88 7.698 19.794 -2.233 564 HG3 GLU 88 2HG GLU 88 6.858 20.693 -4.458 565 H ASN 89 H ASN 89 5.171 18.304 0.522 566 HA ASN 89 HA ASN 89 7.961 18.151 1.560 567 HB3 ASN 89 2HB ASN 89 6.488 18.948 3.707 568 HD21 ASN 89 1HD2 ASN 89 7.454 20.326 0.493 569 HD22 ASN 89 2HD2 ASN 89 8.370 21.633 1.224 570 H ASN 90 H ASN 90 6.398 15.691 0.755 571 HA ASN 90 HA ASN 90 5.725 14.570 3.402 572 HB3 ASN 90 2HB ASN 90 4.416 13.754 0.775 573 HD21 ASN 90 1HD2 ASN 90 4.485 12.491 3.735 574 HD22 ASN 90 2HD2 ASN 90 2.728 12.395 3.903 575 HA PRO 91 HA PRO 91 9.054 11.981 1.397 576 HB3 PRO 91 2HB PRO 91 10.692 13.073 2.586 577 HG3 PRO 91 2HG PRO 91 10.143 14.084 4.721 578 HD3 PRO 91 2HD PRO 91 8.732 14.879 3.150 579 H THR 92 H THR 92 7.204 11.361 4.433 580 HA THR 92 HA THR 92 7.799 8.631 4.702 581 HB THR 92 HB THR 92 5.144 9.951 5.389 582 HG1 THR 92 1HG THR 92 6.131 10.285 7.441 583 HG21 THR 92 3HG2 THR 92 5.192 7.523 5.577 584 HG22 THR 92 1HG2 THR 92 5.149 8.240 7.193 585 HG23 THR 92 2HG2 THR 92 6.682 7.585 6.552 586 H ALA 93 H ALA 93 5.058 10.223 2.972 587 HA ALA 93 HA ALA 93 3.993 7.821 1.844 588 HB1 ALA 93 1HB ALA 93 2.708 9.905 2.122 589 HB2 ALA 93 2HB ALA 93 3.776 10.740 0.971 590 HB3 ALA 93 3HB ALA 93 2.746 9.405 0.423 591 H LYS 94 H LYS 94 6.276 10.329 0.666 592 HA LYS 94 HA LYS 94 6.543 9.445 -1.962 593 HB3 LYS 94 2HB LYS 94 8.649 10.761 -0.223 594 HG3 LYS 94 2HG LYS 94 8.291 10.487 -3.191 595 HD3 LYS 94 2HD LYS 94 8.182 12.912 -2.713 596 HE3 LYS 94 2HE LYS 94 10.818 12.271 -1.313 597 HZ1 LYS 94 3HZ LYS 94 9.863 14.955 -2.089 598 HZ2 LYS 94 1HZ LYS 94 11.135 14.163 -2.770 599 HZ3 LYS 94 2HZ LYS 94 11.172 14.617 -1.173 600 H TYR 95 H TYR 95 8.872 8.598 0.663 601 HA TYR 95 HA TYR 95 10.380 6.923 -1.080 602 HB3 TYR 95 2HB TYR 95 11.127 5.860 1.149 603 HD1 TYR 95 2HD TYR 95 12.687 6.954 -0.737 604 HD2 TYR 95 1HD TYR 95 11.202 8.952 2.776 605 HE1 TYR 95 2HE TYR 95 14.613 8.460 -0.810 606 HE2 TYR 95 1HE TYR 95 13.159 10.479 2.730 607 HH TYR 95 HH TYR 95 15.861 9.975 0.434 608 H ARG 96 H ARG 96 7.559 6.032 1.052 609 HA ARG 96 HA ARG 96 7.821 3.283 0.361 610 HB3 ARG 96 2HB ARG 96 6.719 3.839 2.337 611 HG3 ARG 96 2HG ARG 96 4.407 4.911 0.658 612 HD3 ARG 96 2HD ARG 96 3.752 3.945 2.826 613 HE ARG 96 HE ARG 96 6.059 5.273 3.857 614 HH11 ARG 96 1HH1 ARG 96 2.629 4.802 4.777 615 HH12 ARG 96 2HH1 ARG 96 2.996 4.926 6.480 616 HH21 ARG 96 1HH2 ARG 96 6.451 4.599 6.030 617 HH22 ARG 96 2HH2 ARG 96 5.150 4.484 7.146 618 H ALA 97 H ALA 97 5.892 5.912 -1.316 619 HA ALA 97 HA ALA 97 4.429 4.181 -3.022 620 HB1 ALA 97 1HB ALA 97 5.443 7.045 -3.098 621 HB2 ALA 97 2HB ALA 97 4.778 6.315 -4.556 622 HB3 ALA 97 3HB ALA 97 3.771 6.441 -3.099 623 H ARG 98 H ARG 98 7.445 5.982 -3.658 624 HA ARG 98 HA ARG 98 8.198 4.767 -5.991 625 HB3 ARG 98 2HB ARG 98 10.636 5.367 -4.710 626 HG3 ARG 98 2HG ARG 98 8.600 7.054 -6.203 627 HD3 ARG 98 2HD ARG 98 11.226 7.936 -4.964 628 HE ARG 98 HE ARG 98 10.455 8.651 -7.493 629 HH11 ARG 98 1HH1 ARG 98 10.621 10.471 -4.509 630 HH12 ARG 98 2HH1 ARG 98 11.350 11.902 -5.173 631 HH21 ARG 98 1HH2 ARG 98 11.354 10.531 -8.479 632 HH22 ARG 98 2HH2 ARG 98 12.013 11.806 -7.509 633 H LEU 99 H LEU 99 8.704 3.455 -2.753 634 HA LEU 99 HA LEU 99 10.314 1.184 -3.524 635 HB3 LEU 99 2HB LEU 99 8.609 1.778 -1.092 636 HG LEU 99 HG LEU 99 8.802 -0.580 -1.000 637 HD11 LEU 99 1HD1 LEU 99 11.013 -1.730 -1.147 638 HD12 LEU 99 2HD1 LEU 99 11.734 -0.219 -1.722 639 HD13 LEU 99 3HD1 LEU 99 10.505 -1.051 -2.690 640 HD21 LEU 99 3HD2 LEU 99 10.364 -0.804 0.949 641 HD22 LEU 99 1HD2 LEU 99 9.329 0.639 1.064 642 HD23 LEU 99 2HD2 LEU 99 11.041 0.780 0.576 643 H MET 100 H MET 100 6.796 1.411 -2.758 644 HA MET 100 HA MET 100 6.198 -1.243 -3.484 645 HB3 MET 100 2HB MET 100 3.891 -0.529 -3.728 646 HG3 MET 100 2HG MET 100 3.359 0.384 -1.648 647 HE1 MET 100 3HE MET 100 4.389 -3.043 -0.272 648 HE2 MET 100 1HE MET 100 3.056 -1.898 -0.545 649 HE3 MET 100 2HE MET 100 3.989 -2.517 -1.923 650 H LYS 101 H LYS 101 6.291 1.682 -5.583 651 HA LYS 101 HA LYS 101 5.518 0.527 -8.007 652 HB3 LYS 101 2HB LYS 101 7.757 2.601 -7.636 653 HG3 LYS 101 2HG LYS 101 6.315 3.547 -9.666 654 HD3 LYS 101 2HD LYS 101 7.607 1.496 -11.048 655 HE3 LYS 101 2HE LYS 101 8.390 4.309 -10.267 656 HZ1 LYS 101 3HZ LYS 101 10.027 2.339 -11.734 657 HZ2 LYS 101 1HZ LYS 101 10.475 3.294 -10.490 658 HZ3 LYS 101 2HZ LYS 101 10.194 3.944 -11.991 659 H LYS 102 H LYS 102 8.761 0.736 -6.716 660 HA LYS 102 HA LYS 102 10.146 -0.796 -8.727 661 HB3 LYS 102 2HB LYS 102 11.109 -0.932 -5.896 662 HG3 LYS 102 2HG LYS 102 12.286 -0.190 -8.608 663 HD3 LYS 102 2HD LYS 102 13.535 -0.228 -5.829 664 HE3 LYS 102 2HE LYS 102 14.806 -1.472 -7.604 665 HZ1 LYS 102 3HZ LYS 102 14.447 -0.226 -9.552 666 HZ2 LYS 102 1HZ LYS 102 16.001 -0.024 -9.172 667 HZ3 LYS 102 2HZ LYS 102 14.936 1.190 -8.882 668 H ILE 103 H ILE 103 8.375 -1.845 -5.812 669 HA ILE 103 HA ILE 103 9.343 -4.516 -5.914 670 HB ILE 103 HB ILE 103 6.950 -3.215 -4.589 671 HG13 ILE 103 2HG1 ILE 103 9.352 -2.798 -3.820 672 HG21 ILE 103 1HG2 ILE 103 6.335 -5.578 -5.098 673 HG22 ILE 103 2HG2 ILE 103 7.768 -6.106 -4.181 674 HG23 ILE 103 3HG2 ILE 103 6.445 -5.234 -3.379 675 HD11 ILE 103 3HD1 ILE 103 7.457 -2.580 -2.203 676 HD12 ILE 103 1HD1 ILE 103 7.717 -4.283 -1.748 677 HD13 ILE 103 2HD1 ILE 103 8.995 -3.093 -1.482 678 H ALA 104 H ALA 104 6.470 -2.923 -7.396 679 HA ALA 104 HA ALA 104 5.479 -5.250 -8.710 680 HB1 ALA 104 1HB ALA 104 5.331 -2.326 -9.556 681 HB2 ALA 104 2HB ALA 104 4.319 -3.634 -10.163 682 HB3 ALA 104 3HB ALA 104 4.194 -3.146 -8.456 683 H ASP 105 H ASP 105 8.230 -3.216 -9.440 684 HA ASP 105 HA ASP 105 8.392 -3.599 -12.278 685 HB3 ASP 105 2HB ASP 105 10.637 -3.115 -10.269 686 H LEU 106 H LEU 106 9.603 -5.483 -9.582 687 HA LEU 106 HA LEU 106 10.951 -7.450 -11.344 688 HB3 LEU 106 2HB LEU 106 12.002 -8.155 -9.164 689 HG LEU 106 HG LEU 106 12.118 -5.167 -9.800 690 HD11 LEU 106 1HD1 LEU 106 13.990 -4.944 -8.307 691 HD12 LEU 106 2HD1 LEU 106 13.844 -6.640 -7.796 692 HD13 LEU 106 3HD1 LEU 106 12.557 -5.464 -7.423 693 HD21 LEU 106 3HD2 LEU 106 13.092 -6.700 -11.469 694 HD22 LEU 106 1HD2 LEU 106 14.138 -7.413 -10.225 695 HD23 LEU 106 2HD2 LEU 106 14.328 -5.703 -10.684 696 H TRP 107 H TRP 107 7.894 -7.164 -10.576 697 HA TRP 107 HA TRP 107 7.374 -9.614 -9.196 698 HB3 TRP 107 2HB TRP 107 5.324 -8.037 -10.790 699 HD1 TRP 107 HD TRP 107 3.403 -9.817 -10.375 700 HE1 TRP 107 1HE TRP 107 2.073 -10.481 -8.301 701 HE3 TRP 107 3HE TRP 107 6.255 -7.523 -6.828 702 HZ2 TRP 107 2HZ TRP 107 2.315 -10.233 -5.439 703 HZ3 TRP 107 3HZ TRP 107 5.642 -7.729 -4.395 704 HH2 TRP 107 HH TRP 107 3.612 -9.023 -3.725 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -5.152 17.540 9.983 2 HA2 GLY 1 1HA GLY 1 -7.376 15.910 11.084 3 HA3 GLY 1 2HA GLY 1 -7.584 16.977 9.679 4 H THR 2 H THR 2 -5.819 14.043 10.863 5 HA THR 2 HA THR 2 -5.918 13.007 8.193 6 HB THR 2 HB THR 2 -3.990 14.494 8.034 7 HG1 THR 2 1HG THR 2 -3.999 12.841 6.734 8 HG21 THR 2 3HG2 THR 2 -3.022 14.639 10.158 9 HG22 THR 2 1HG2 THR 2 -1.833 13.858 9.105 10 HG23 THR 2 2HG2 THR 2 -2.758 12.898 10.276 11 H ASP 3 H ASP 3 -7.354 12.141 10.155 12 HA ASP 3 HA ASP 3 -6.197 9.478 10.623 13 HB3 ASP 3 2HB ASP 3 -7.965 10.625 12.782 14 H PHE 4 H PHE 4 -8.879 8.491 11.690 15 HA PHE 4 HA PHE 4 -10.698 9.159 9.530 16 HB3 PHE 4 2HB PHE 4 -10.113 6.234 9.530 17 HD1 PHE 4 2HD PHE 4 -9.214 8.890 7.040 18 HD2 PHE 4 1HD PHE 4 -12.134 5.932 8.189 19 HE1 PHE 4 2HE PHE 4 -10.410 9.218 4.888 20 HE2 PHE 4 1HE PHE 4 -13.390 6.370 6.101 21 HZ PHE 4 HZ PHE 4 -12.508 7.973 4.436 22 H GLY 5 H GLY 5 -12.505 7.016 9.737 23 HA2 GLY 5 1HA GLY 5 -12.922 6.289 12.499 24 HA3 GLY 5 2HA GLY 5 -14.118 7.441 11.870 25 H THR 6 H THR 6 -15.100 5.112 12.597 26 HA THR 6 HA THR 6 -15.855 3.727 10.097 27 HB THR 6 HB THR 6 -13.833 2.668 10.925 28 HG1 THR 6 1HG THR 6 -15.616 1.438 10.060 29 HG21 THR 6 3HG2 THR 6 -13.749 1.437 13.055 30 HG22 THR 6 1HG2 THR 6 -15.311 2.152 13.533 31 HG23 THR 6 2HG2 THR 6 -13.876 3.174 13.301 32 H THR 7 H THR 7 -16.966 5.397 12.639 33 HA THR 7 HA THR 7 -18.957 3.754 13.795 34 HB THR 7 HB THR 7 -17.825 5.678 14.823 35 HG1 THR 7 1HG THR 7 -19.750 4.917 15.648 36 HG21 THR 7 3HG2 THR 7 -19.566 7.411 13.038 37 HG22 THR 7 1HG2 THR 7 -17.792 7.322 13.026 38 HG23 THR 7 2HG2 THR 7 -18.633 7.978 14.433 39 H ASN 8 H ASN 8 -19.138 3.825 10.812 40 HA ASN 8 HA ASN 8 -22.012 4.400 10.589 41 HB3 ASN 8 2HB ASN 8 -21.015 6.444 9.802 42 HD21 ASN 8 1HD2 ASN 8 -19.557 7.655 8.555 43 HD22 ASN 8 2HD2 ASN 8 -18.303 6.871 7.596 44 H ASN 9 H ASN 9 -20.308 1.982 10.863 45 HA ASN 9 HA ASN 9 -20.395 0.535 8.353 46 HB3 ASN 9 2HB ASN 9 -20.292 -1.504 9.918 47 HD21 ASN 9 1HD2 ASN 9 -17.937 -0.705 11.779 48 HD22 ASN 9 2HD2 ASN 9 -16.630 -0.417 10.639 49 H PHE 10 H PHE 10 -22.456 1.214 7.685 50 HA PHE 10 HA PHE 10 -23.900 -1.156 7.488 51 HB3 PHE 10 2HB PHE 10 -26.187 0.305 7.564 52 HD1 PHE 10 2HD PHE 10 -26.516 -2.225 7.612 53 HD2 PHE 10 1HD PHE 10 -25.334 0.086 11.041 54 HE1 PHE 10 2HE PHE 10 -27.321 -4.029 9.099 55 HE2 PHE 10 1HE PHE 10 -26.183 -1.710 12.545 56 HZ PHE 10 HZ PHE 10 -27.176 -3.775 11.568 57 H VAL 11 H VAL 11 -24.653 -1.183 5.339 58 HA VAL 11 HA VAL 11 -25.424 1.227 4.014 59 HB VAL 11 HB VAL 11 -22.974 1.255 3.572 60 HG11 VAL 11 1HG1 VAL 11 -22.563 -1.219 3.546 61 HG12 VAL 11 2HG1 VAL 11 -23.373 -1.295 1.963 62 HG13 VAL 11 3HG1 VAL 11 -21.885 -0.362 2.160 63 HG21 VAL 11 3HG2 VAL 11 -24.529 2.284 1.994 64 HG22 VAL 11 1HG2 VAL 11 -23.138 1.584 1.139 65 HG23 VAL 11 2HG2 VAL 11 -24.697 0.749 1.127 66 H SER 12 H SER 12 -27.013 0.651 2.388 67 HA SER 12 HA SER 12 -27.930 -2.102 2.425 68 HB3 SER 12 2HB SER 12 -29.583 -0.403 2.193 69 HG SER 12 HG SER 12 -29.293 1.333 1.060 70 HA PRO 13 HA PRO 13 -25.372 -3.585 -0.918 71 HB3 PRO 13 2HB PRO 13 -26.258 -5.666 -0.601 72 HG3 PRO 13 2HG PRO 13 -28.571 -5.955 -0.011 73 HD3 PRO 13 2HD PRO 13 -27.728 -4.364 1.524 74 H ASN 14 H ASN 14 -25.268 -1.535 -2.058 75 HA ASN 14 HA ASN 14 -26.183 -1.774 -4.732 76 HB3 ASN 14 2HB ASN 14 -27.454 0.690 -3.568 77 HD21 ASN 14 1HD2 ASN 14 -29.370 -1.840 -4.985 78 HD22 ASN 14 2HD2 ASN 14 -29.500 -1.155 -6.571 79 H LEU 15 H LEU 15 -24.407 -0.994 -5.765 80 HA LEU 15 HA LEU 15 -22.597 0.846 -4.415 81 HB3 LEU 15 2HB LEU 15 -22.392 -0.354 -7.190 82 HG LEU 15 HG LEU 15 -20.652 1.406 -5.681 83 HD11 LEU 15 1HD1 LEU 15 -19.895 -0.793 -4.599 84 HD12 LEU 15 2HD1 LEU 15 -18.636 0.177 -5.392 85 HD13 LEU 15 3HD1 LEU 15 -19.305 -1.256 -6.192 86 HD21 LEU 15 3HD2 LEU 15 -20.871 1.327 -8.185 87 HD22 LEU 15 1HD2 LEU 15 -19.980 -0.194 -8.195 88 HD23 LEU 15 2HD2 LEU 15 -19.196 1.297 -7.619 89 H GLN 16 H GLN 16 -24.937 2.258 -4.768 90 HA GLN 16 HA GLN 16 -24.950 3.612 -7.328 91 HB3 GLN 16 2HB GLN 16 -27.032 3.242 -6.052 92 HG3 GLN 16 2HG GLN 16 -25.717 5.062 -4.013 93 HE21 GLN 16 1HE2 GLN 16 -28.923 3.959 -3.290 94 HE22 GLN 16 2HE2 GLN 16 -29.688 5.520 -3.542 95 H LEU 17 H LEU 17 -22.477 3.883 -5.538 96 HA LEU 17 HA LEU 17 -22.413 6.791 -5.039 97 HB3 LEU 17 2HB LEU 17 -23.287 6.381 -3.058 98 HG LEU 17 HG LEU 17 -23.784 3.985 -3.166 99 HD11 LEU 17 1HD1 LEU 17 -21.610 3.004 -3.775 100 HD12 LEU 17 2HD1 LEU 17 -22.216 2.312 -2.270 101 HD13 LEU 17 3HD1 LEU 17 -20.925 3.531 -2.220 102 HD21 LEU 17 3HD2 LEU 17 -24.039 5.269 -1.074 103 HD22 LEU 17 1HD2 LEU 17 -22.399 4.780 -0.589 104 HD23 LEU 17 2HD2 LEU 17 -23.676 3.562 -0.778 105 H LYS 18 H LYS 18 -20.730 7.278 -6.197 106 HA LYS 18 HA LYS 18 -18.253 5.745 -6.360 107 HB3 LYS 18 2HB LYS 18 -17.437 7.627 -7.689 108 HG3 LYS 18 2HG LYS 18 -20.277 6.943 -8.571 109 HD3 LYS 18 2HD LYS 18 -17.628 7.331 -10.030 110 HE3 LYS 18 2HE LYS 18 -19.058 6.832 -12.093 111 HZ1 LYS 18 3HZ LYS 18 -17.481 5.177 -11.344 112 HZ2 LYS 18 1HZ LYS 18 -18.882 4.429 -11.797 113 HZ3 LYS 18 2HZ LYS 18 -18.514 4.604 -10.216 114 H GLN 19 H GLN 19 -18.262 5.758 -3.895 115 HA GLN 19 HA GLN 19 -16.980 8.027 -2.591 116 HB3 GLN 19 2HB GLN 19 -16.946 6.659 -0.647 117 HG3 GLN 19 2HG GLN 19 -19.432 5.666 -2.096 118 HE21 GLN 19 1HE2 GLN 19 -18.276 3.898 -0.215 119 HE22 GLN 19 2HE2 GLN 19 -19.150 4.044 1.291 120 H ASN 20 H ASN 20 -14.901 7.400 -1.461 121 HA ASN 20 HA ASN 20 -12.842 6.671 -3.382 122 HB3 ASN 20 2HB ASN 20 -12.734 7.498 -0.481 123 HD21 ASN 20 1HD2 ASN 20 -10.720 5.979 -3.065 124 HD22 ASN 20 2HD2 ASN 20 -9.288 6.153 -2.086 125 H VAL 21 H VAL 21 -13.132 4.632 -3.833 126 HA VAL 21 HA VAL 21 -13.125 2.475 -1.826 127 HB VAL 21 HB VAL 21 -12.935 2.178 -4.845 128 HG11 VAL 21 1HG1 VAL 21 -13.973 0.317 -2.647 129 HG12 VAL 21 2HG1 VAL 21 -13.976 -0.039 -4.384 130 HG13 VAL 21 3HG1 VAL 21 -12.444 0.127 -3.526 131 HG21 VAL 21 3HG2 VAL 21 -15.428 2.408 -3.117 132 HG22 VAL 21 1HG2 VAL 21 -14.948 3.457 -4.470 133 HG23 VAL 21 2HG2 VAL 21 -15.415 1.784 -4.779 134 H LEU 22 H LEU 22 -11.375 1.395 -1.191 135 HA LEU 22 HA LEU 22 -8.684 2.141 -1.865 136 HB3 LEU 22 2HB LEU 22 -8.183 -0.064 -0.585 137 HG LEU 22 HG LEU 22 -9.894 2.052 0.772 138 HD11 LEU 22 1HD1 LEU 22 -9.095 1.111 2.893 139 HD12 LEU 22 2HD1 LEU 22 -8.333 -0.250 2.010 140 HD13 LEU 22 3HD1 LEU 22 -10.106 -0.053 2.000 141 HD21 LEU 22 3HD2 LEU 22 -6.903 1.466 0.969 142 HD22 LEU 22 1HD2 LEU 22 -7.771 2.821 1.718 143 HD23 LEU 22 2HD2 LEU 22 -7.596 2.747 -0.036 144 HA PRO 23 HA PRO 23 -7.968 -0.742 -5.288 145 HB3 PRO 23 2HB PRO 23 -5.945 0.239 -5.696 146 HG3 PRO 23 2HG PRO 23 -4.658 1.165 -3.909 147 HD3 PRO 23 2HD PRO 23 -6.844 2.072 -3.616 148 HA PRO 24 HA PRO 24 -8.320 -4.771 -3.708 149 HB3 PRO 24 2HB PRO 24 -8.903 -5.207 -5.926 150 HG3 PRO 24 2HG PRO 24 -7.439 -4.590 -7.750 151 HD3 PRO 24 2HD PRO 24 -8.077 -2.643 -6.577 152 H THR 25 H THR 25 -7.092 -7.157 -3.685 153 HA THR 25 HA THR 25 -4.322 -6.891 -2.673 154 HB THR 25 HB THR 25 -5.372 -7.940 -0.484 155 HG1 THR 25 1HG THR 25 -7.559 -6.724 -0.308 156 HG21 THR 25 3HG2 THR 25 -4.301 -5.614 -0.750 157 HG22 THR 25 1HG2 THR 25 -5.454 -5.834 0.581 158 HG23 THR 25 2HG2 THR 25 -5.958 -5.012 -0.915 159 HA PRO 26 HA PRO 26 -4.279 -11.266 -3.632 160 HB3 PRO 26 2HB PRO 26 -2.035 -11.419 -3.063 161 HG3 PRO 26 2HG PRO 26 -1.182 -10.070 -1.344 162 HD3 PRO 26 2HD PRO 26 -2.443 -8.398 -2.272 163 H LYS 27 H LYS 27 -4.946 -13.418 -2.816 164 HA LYS 27 HA LYS 27 -7.341 -13.145 -1.171 165 HB3 LYS 27 2HB LYS 27 -7.625 -14.270 -3.211 166 HG3 LYS 27 2HG LYS 27 -5.278 -16.003 -2.353 167 HD3 LYS 27 2HD LYS 27 -5.989 -17.350 -4.426 168 HE3 LYS 27 2HE LYS 27 -7.696 -17.656 -1.928 169 HZ1 LYS 27 3HZ LYS 27 -7.741 -19.961 -2.620 170 HZ2 LYS 27 1HZ LYS 27 -6.801 -19.646 -3.935 171 HZ3 LYS 27 2HZ LYS 27 -8.331 -19.011 -3.793 172 H ASN 28 H ASN 28 -5.409 -12.692 0.704 173 HA ASN 28 HA ASN 28 -5.211 -15.238 2.142 174 HB3 ASN 28 2HB ASN 28 -2.789 -14.636 2.583 175 HD21 ASN 28 1HD2 ASN 28 -2.954 -14.404 -1.037 176 HD22 ASN 28 2HD2 ASN 28 -2.610 -16.094 -1.154 177 H ILE 29 H ILE 29 -4.737 -11.583 2.316 178 HA ILE 29 HA ILE 29 -5.363 -11.779 5.156 179 HB ILE 29 HB ILE 29 -3.321 -10.790 5.827 180 HG13 ILE 29 2HG1 ILE 29 -1.428 -10.189 4.448 181 HG21 ILE 29 1HG2 ILE 29 -1.588 -12.353 5.413 182 HG22 ILE 29 2HG2 ILE 29 -3.162 -13.156 5.662 183 HG23 ILE 29 3HG2 ILE 29 -2.473 -13.002 4.022 184 HD11 ILE 29 3HD1 ILE 29 -1.443 -9.923 2.148 185 HD12 ILE 29 1HD1 ILE 29 -1.986 -11.589 2.363 186 HD13 ILE 29 2HD1 ILE 29 -3.161 -10.305 1.981 187 HA PRO 30 HA PRO 30 -7.056 -7.710 4.233 188 HB3 PRO 30 2HB PRO 30 -7.954 -7.804 6.359 189 HG3 PRO 30 2HG PRO 30 -6.673 -8.552 8.226 190 HD3 PRO 30 2HD PRO 30 -6.506 -10.326 6.659 191 H LEU 31 H LEU 31 -6.460 -5.315 4.225 192 HA LEU 31 HA LEU 31 -3.908 -4.826 3.146 193 HB3 LEU 31 2HB LEU 31 -5.837 -2.840 4.393 194 HG LEU 31 HG LEU 31 -4.895 -1.308 2.668 195 HD11 LEU 31 1HD1 LEU 31 -2.726 -1.855 4.714 196 HD12 LEU 31 2HD1 LEU 31 -4.284 -1.093 5.108 197 HD13 LEU 31 3HD1 LEU 31 -3.184 -0.341 3.945 198 HD21 LEU 31 3HD2 LEU 31 -2.749 -1.591 1.689 199 HD22 LEU 31 1HD2 LEU 31 -3.639 -3.081 1.362 200 HD23 LEU 31 2HD2 LEU 31 -2.390 -3.047 2.632 201 HA PRO 32 HA PRO 32 -2.275 -3.276 7.400 202 HB3 PRO 32 2HB PRO 32 -3.834 -2.441 8.804 203 HG3 PRO 32 2HG PRO 32 -6.062 -3.317 8.840 204 HD3 PRO 32 2HD PRO 32 -5.504 -2.754 6.589 205 H ALA 33 H ALA 33 -2.914 -6.261 6.236 206 HA ALA 33 HA ALA 33 -0.760 -7.482 7.898 207 HB1 ALA 33 1HB ALA 33 -1.579 -9.631 7.081 208 HB2 ALA 33 2HB ALA 33 -2.762 -8.802 8.130 209 HB3 ALA 33 3HB ALA 33 -2.981 -8.782 6.376 210 H PHE 34 H PHE 34 -2.152 -7.007 4.610 211 HA PHE 34 HA PHE 34 -0.130 -8.273 3.225 212 HB3 PHE 34 2HB PHE 34 -1.842 -5.914 2.355 213 HD1 PHE 34 1HD PHE 34 0.183 -8.916 1.194 214 HD2 PHE 34 2HD PHE 34 -1.735 -5.182 0.084 215 HE1 PHE 34 1HE PHE 34 1.346 -8.916 -0.951 216 HE2 PHE 34 2HE PHE 34 -0.700 -5.316 -2.135 217 HZ PHE 34 HZ PHE 34 0.913 -7.145 -2.639 218 H GLY 35 H GLY 35 0.104 -5.246 4.794 219 HA2 GLY 35 1HA GLY 35 2.718 -4.686 3.425 220 HA3 GLY 35 2HA GLY 35 1.782 -3.514 4.309 221 H GLN 36 H GLN 36 1.191 -4.646 6.665 222 HA GLN 36 HA GLN 36 3.476 -3.930 8.058 223 HB3 GLN 36 2HB GLN 36 2.298 -4.618 10.088 224 HG3 GLN 36 2HG GLN 36 0.283 -3.415 8.142 225 HE21 GLN 36 1HE2 GLN 36 -0.412 -1.224 9.846 226 HE22 GLN 36 2HE2 GLN 36 -1.167 -1.905 11.266 227 H ARG 37 H ARG 37 2.728 -7.169 6.935 228 HA ARG 37 HA ARG 37 5.004 -8.239 8.564 229 HB3 ARG 37 2HB ARG 37 3.709 -10.359 8.690 230 HG3 ARG 37 2HG ARG 37 2.044 -8.059 9.779 231 HD3 ARG 37 2HD ARG 37 2.883 -10.720 10.970 232 HE ARG 37 HE ARG 37 2.008 -8.441 12.265 233 HH11 ARG 37 1HH1 ARG 37 1.005 -11.826 12.053 234 HH12 ARG 37 2HH1 ARG 37 0.137 -11.841 13.551 235 HH21 ARG 37 1HH2 ARG 37 0.661 -8.349 14.102 236 HH22 ARG 37 2HH2 ARG 37 0.006 -9.768 14.831 237 H ILE 38 H ILE 38 4.656 -7.190 5.691 238 HA ILE 38 HA ILE 38 5.715 -9.565 4.220 239 HB ILE 38 HB ILE 38 3.494 -7.664 3.419 240 HG13 ILE 38 2HG1 ILE 38 1.911 -9.432 3.449 241 HG21 ILE 38 1HG2 ILE 38 3.207 -9.078 1.378 242 HG22 ILE 38 2HG2 ILE 38 4.724 -8.184 1.419 243 HG23 ILE 38 3HG2 ILE 38 4.722 -9.920 1.792 244 HD11 ILE 38 3HD1 ILE 38 3.016 -11.385 2.798 245 HD12 ILE 38 1HD1 ILE 38 4.242 -11.273 4.096 246 HD13 ILE 38 2HD1 ILE 38 2.564 -11.666 4.493 247 H ILE 39 H ILE 39 4.859 -6.136 3.756 248 HA ILE 39 HA ILE 39 7.213 -5.557 2.135 249 HB ILE 39 HB ILE 39 4.982 -3.758 3.170 250 HG13 ILE 39 2HG1 ILE 39 3.758 -4.087 1.098 251 HG21 ILE 39 1HG2 ILE 39 6.860 -3.474 0.822 252 HG22 ILE 39 2HG2 ILE 39 5.416 -2.451 1.047 253 HG23 ILE 39 3HG2 ILE 39 6.740 -2.404 2.214 254 HD11 ILE 39 3HD1 ILE 39 5.764 -6.267 0.407 255 HD12 ILE 39 1HD1 ILE 39 4.204 -6.017 -0.394 256 HD13 ILE 39 2HD1 ILE 39 5.474 -4.789 -0.539 257 H GLY 40 H GLY 40 6.711 -5.871 5.408 258 HA2 GLY 40 1HA GLY 40 8.016 -5.329 7.232 259 HA3 GLY 40 2HA GLY 40 9.261 -4.904 6.052 260 H TRP 41 H TRP 41 6.433 -3.080 5.668 261 HA TRP 41 HA TRP 41 7.952 -0.693 6.049 262 HB3 TRP 41 2HB TRP 41 6.513 -1.217 4.109 263 HD1 TRP 41 HD TRP 41 4.450 -2.059 6.987 264 HE1 TRP 41 1HE TRP 41 1.960 -1.924 6.611 265 HE3 TRP 41 3HE TRP 41 4.472 0.135 2.335 266 HZ2 TRP 41 2HZ TRP 41 0.147 -1.137 4.475 267 HZ3 TRP 41 3HZ TRP 41 2.330 0.387 1.124 268 HH2 TRP 41 HH TRP 41 0.174 -0.090 2.247 269 H GLY 42 H GLY 42 7.103 -2.047 8.579 270 HA2 GLY 42 1HA GLY 42 5.972 -1.781 10.524 271 HA3 GLY 42 2HA GLY 42 6.379 -0.063 10.379 272 H THR 43 H THR 43 4.724 1.308 10.130 273 HA THR 43 HA THR 43 2.645 0.917 8.349 274 HB THR 43 HB THR 43 1.762 -0.735 10.045 275 HG1 THR 43 1HG THR 43 0.028 1.374 9.478 276 HG21 THR 43 3HG2 THR 43 2.224 0.597 12.087 277 HG22 THR 43 1HG2 THR 43 0.619 -0.127 11.950 278 HG23 THR 43 2HG2 THR 43 0.827 1.619 11.648 279 H GLY 44 H GLY 44 4.363 3.017 9.584 280 HA2 GLY 44 1HA GLY 44 2.347 5.233 9.726 281 HA3 GLY 44 2HA GLY 44 3.305 4.923 11.152 282 H ALA 45 H ALA 45 4.114 5.091 7.609 283 HA ALA 45 HA ALA 45 5.392 6.459 6.392 284 HB1 ALA 45 1HB ALA 45 5.995 8.666 7.027 285 HB2 ALA 45 2HB ALA 45 4.330 8.367 7.562 286 HB3 ALA 45 3HB ALA 45 5.666 8.351 8.730 287 H GLU 46 H GLU 46 6.727 6.426 9.708 288 HA GLU 46 HA GLU 46 9.503 6.308 9.123 289 HB3 GLU 46 2HB GLU 46 9.170 4.951 11.529 290 HG3 GLU 46 2HG GLU 46 8.759 7.545 12.289 291 H GLY 47 H GLY 47 7.255 3.639 9.922 292 HA2 GLY 47 1HA GLY 47 8.865 1.454 9.631 293 HA3 GLY 47 2HA GLY 47 7.206 1.508 9.117 294 H ALA 48 H ALA 48 7.295 3.285 6.978 295 HA ALA 48 HA ALA 48 8.341 1.624 4.862 296 HB1 ALA 48 1HB ALA 48 7.001 4.357 4.823 297 HB2 ALA 48 2HB ALA 48 7.313 3.332 3.401 298 HB3 ALA 48 3HB ALA 48 6.180 2.790 4.657 299 H ARG 49 H ARG 49 9.363 4.734 6.373 300 HA ARG 49 HA ARG 49 11.382 5.450 4.490 301 HB3 ARG 49 2HB ARG 49 11.442 5.787 7.532 302 HG3 ARG 49 2HG ARG 49 12.887 7.476 5.461 303 HD3 ARG 49 2HD ARG 49 13.240 7.216 8.487 304 HE ARG 49 HE ARG 49 15.059 8.146 6.498 305 HH11 ARG 49 1HH1 ARG 49 14.201 8.777 9.926 306 HH12 ARG 49 2HH1 ARG 49 15.572 9.759 10.179 307 HH21 ARG 49 1HH2 ARG 49 17.028 8.982 7.065 308 HH22 ARG 49 2HH2 ARG 49 17.285 9.809 8.552 309 H GLN 50 H GLN 50 11.502 3.280 7.375 310 HA GLN 50 HA GLN 50 14.297 2.920 7.212 311 HB3 GLN 50 2HB GLN 50 13.916 1.027 8.759 312 HG3 GLN 50 2HG GLN 50 12.881 2.105 10.627 313 HE21 GLN 50 1HE2 GLN 50 12.907 5.123 10.625 314 HE22 GLN 50 2HE2 GLN 50 14.628 5.439 10.678 315 H ARG 51 H ARG 51 11.567 0.865 5.924 316 HA ARG 51 HA ARG 51 13.587 -0.982 5.047 317 HB3 ARG 51 2HB ARG 51 10.656 -1.117 4.258 318 HG3 ARG 51 2HG ARG 51 12.070 -2.987 3.415 319 HD3 ARG 51 2HD ARG 51 12.777 -3.214 6.377 320 HE ARG 51 HE ARG 51 13.497 -5.343 4.465 321 HH11 ARG 51 1HH1 ARG 51 11.529 -4.421 7.255 322 HH12 ARG 51 2HH1 ARG 51 11.573 -5.996 7.961 323 HH21 ARG 51 1HH2 ARG 51 13.226 -7.522 5.245 324 HH22 ARG 51 2HH2 ARG 51 12.182 -7.816 6.581 325 H LEU 52 H LEU 52 12.053 1.690 3.518 326 HA LEU 52 HA LEU 52 12.222 0.929 0.777 327 HB3 LEU 52 2HB LEU 52 12.200 3.513 2.336 328 HG LEU 52 HG LEU 52 13.083 4.465 0.411 329 HD11 LEU 52 1HD1 LEU 52 12.012 3.955 -1.940 330 HD12 LEU 52 2HD1 LEU 52 11.678 2.365 -1.216 331 HD13 LEU 52 3HD1 LEU 52 13.325 2.976 -1.306 332 HD21 LEU 52 3HD2 LEU 52 10.094 4.471 -0.090 333 HD22 LEU 52 1HD2 LEU 52 11.283 5.761 -0.461 334 HD23 LEU 52 2HD2 LEU 52 10.917 5.339 1.218 335 H GLU 53 H GLU 53 14.309 3.214 2.606 336 HA GLU 53 HA GLU 53 15.701 3.888 0.296 337 HB3 GLU 53 2HB GLU 53 17.042 5.331 1.656 338 HG3 GLU 53 2HG GLU 53 15.000 5.237 3.776 339 H ASN 54 H ASN 54 16.151 1.110 2.026 340 HA ASN 54 HA ASN 54 18.779 0.508 0.918 341 HB3 ASN 54 2HB ASN 54 19.398 1.384 3.055 342 HD21 ASN 54 1HD2 ASN 54 17.243 2.320 3.775 343 HD22 ASN 54 2HD2 ASN 54 16.257 1.493 4.980 344 H ILE 55 H ILE 55 16.187 -0.341 0.109 345 HA ILE 55 HA ILE 55 15.358 -2.744 1.278 346 HB ILE 55 HB ILE 55 14.210 -1.214 -0.438 347 HG13 ILE 55 2HG1 ILE 55 13.554 -3.779 0.372 348 HG21 ILE 55 1HG2 ILE 55 15.947 -1.395 -2.229 349 HG22 ILE 55 2HG2 ILE 55 15.524 -3.100 -2.451 350 HG23 ILE 55 3HG2 ILE 55 14.321 -1.870 -2.793 351 HD11 ILE 55 3HD1 ILE 55 11.361 -3.290 -0.600 352 HD12 ILE 55 1HD1 ILE 55 12.053 -1.822 0.131 353 HD13 ILE 55 2HD1 ILE 55 12.074 -2.035 -1.638 354 H GLN 56 H GLN 56 15.481 -4.963 0.326 355 HA GLN 56 HA GLN 56 18.067 -5.462 -1.046 356 HB3 GLN 56 2HB GLN 56 18.242 -7.549 0.242 357 HG3 GLN 56 2HG GLN 56 18.414 -6.748 2.534 358 HE21 GLN 56 1HE2 GLN 56 18.926 -3.500 2.164 359 HE22 GLN 56 2HE2 GLN 56 20.505 -3.592 1.428 360 HA PRO 57 HA PRO 57 15.692 -7.670 -4.069 361 HB3 PRO 57 2HB PRO 57 17.615 -7.922 -5.298 362 HG3 PRO 57 2HG PRO 57 19.709 -8.121 -4.247 363 HD3 PRO 57 2HD PRO 57 18.907 -6.441 -2.770 364 H ALA 58 H ALA 58 17.175 -9.380 -1.299 365 HA ALA 58 HA ALA 58 15.491 -11.746 -1.567 366 HB1 ALA 58 1HB ALA 58 17.073 -10.668 0.800 367 HB2 ALA 58 2HB ALA 58 16.359 -12.285 0.661 368 HB3 ALA 58 3HB ALA 58 17.679 -11.810 -0.422 369 H ASP 59 H ASP 59 14.887 -8.486 -0.545 370 HA ASP 59 HA ASP 59 12.707 -9.204 1.300 371 HB3 ASP 59 2HB ASP 59 13.284 -6.447 0.219 372 H VAL 60 H VAL 60 13.315 -8.501 -2.111 373 HA VAL 60 HA VAL 60 10.472 -7.954 -2.675 374 HB VAL 60 HB VAL 60 12.925 -8.182 -4.471 375 HG11 VAL 60 1HG1 VAL 60 11.472 -7.222 -6.248 376 HG12 VAL 60 2HG1 VAL 60 10.904 -8.813 -5.763 377 HG13 VAL 60 3HG1 VAL 60 10.061 -7.365 -5.183 378 HG21 VAL 60 3HG2 VAL 60 12.998 -6.219 -3.018 379 HG22 VAL 60 1HG2 VAL 60 12.524 -5.690 -4.620 380 HG23 VAL 60 2HG2 VAL 60 11.294 -5.849 -3.376 381 H SER 61 H SER 61 12.950 -10.437 -3.542 382 HA SER 61 HA SER 61 11.046 -12.281 -4.535 383 HB3 SER 61 2HB SER 61 12.887 -13.753 -4.696 384 HG SER 61 HG SER 61 12.958 -11.727 -6.054 385 H MET 62 H MET 62 10.616 -11.413 -1.601 386 HA MET 62 HA MET 62 10.153 -14.121 -0.557 387 HB3 MET 62 2HB MET 62 11.636 -12.915 0.899 388 HG3 MET 62 2HG MET 62 9.285 -11.055 1.401 389 HE1 MET 62 3HE MET 62 8.817 -11.799 3.827 390 HE2 MET 62 1HE MET 62 9.990 -13.139 3.746 391 HE3 MET 62 2HE MET 62 10.049 -11.981 5.095 392 H ILE 63 H ILE 63 8.802 -10.940 -1.502 393 HA ILE 63 HA ILE 63 6.314 -11.264 -0.172 394 HB ILE 63 HB ILE 63 7.203 -9.609 -2.582 395 HG13 ILE 63 2HG1 ILE 63 8.269 -9.192 -0.241 396 HG21 ILE 63 1HG2 ILE 63 4.607 -9.440 -0.996 397 HG22 ILE 63 2HG2 ILE 63 5.173 -8.173 -2.102 398 HG23 ILE 63 3HG2 ILE 63 4.817 -9.769 -2.729 399 HD11 ILE 63 3HD1 ILE 63 6.852 -6.872 -1.617 400 HD12 ILE 63 1HD1 ILE 63 8.164 -6.764 -0.439 401 HD13 ILE 63 2HD1 ILE 63 8.443 -7.524 -2.022 402 H LYS 64 H LYS 64 7.494 -12.117 -3.353 403 HA LYS 64 HA LYS 64 5.145 -13.053 -4.617 404 HB3 LYS 64 2HB LYS 64 6.718 -14.508 -5.891 405 HG3 LYS 64 2HG LYS 64 7.406 -11.601 -5.443 406 HD3 LYS 64 2HD LYS 64 9.548 -12.851 -5.997 407 HE3 LYS 64 2HE LYS 64 9.922 -13.313 -8.386 408 HZ1 LYS 64 3HZ LYS 64 7.713 -14.998 -7.381 409 HZ2 LYS 64 1HZ LYS 64 9.308 -15.250 -7.049 410 HZ3 LYS 64 2HZ LYS 64 8.711 -15.369 -8.594 411 H LYS 65 H LYS 65 7.084 -14.628 -2.089 412 HA LYS 65 HA LYS 65 5.849 -17.238 -2.469 413 HB3 LYS 65 2HB LYS 65 7.091 -17.690 -0.280 414 HG3 LYS 65 2HG LYS 65 8.047 -17.612 -2.905 415 HD3 LYS 65 2HD LYS 65 9.320 -15.481 -2.015 416 HE3 LYS 65 2HE LYS 65 11.539 -16.015 -1.091 417 HZ1 LYS 65 3HZ LYS 65 9.946 -17.496 0.826 418 HZ2 LYS 65 1HZ LYS 65 9.530 -15.913 0.561 419 HZ3 LYS 65 2HZ LYS 65 11.041 -16.314 1.053 420 H GLN 66 H GLN 66 4.837 -14.294 -1.006 421 HA GLN 66 HA GLN 66 2.940 -15.755 0.743 422 HB3 GLN 66 2HB GLN 66 2.678 -13.462 1.751 423 HG3 GLN 66 2HG GLN 66 4.057 -15.416 2.737 424 HE21 GLN 66 1HE2 GLN 66 6.126 -12.492 2.679 425 HE22 GLN 66 2HE2 GLN 66 7.554 -13.329 2.072 426 H GLY 67 H GLY 67 2.585 -15.987 -1.926 427 HA2 GLY 67 1HA GLY 67 0.732 -16.056 -3.160 428 HA3 GLY 67 2HA GLY 67 -0.107 -15.246 -1.826 429 H THR 68 H THR 68 2.513 -13.574 -3.413 430 HA THR 68 HA THR 68 0.478 -11.616 -4.340 431 HB THR 68 HB THR 68 3.340 -11.253 -3.399 432 HG1 THR 68 1HG THR 68 1.875 -11.879 -1.735 433 HG21 THR 68 3HG2 THR 68 2.778 -9.324 -4.776 434 HG22 THR 68 1HG2 THR 68 2.606 -8.841 -3.096 435 HG23 THR 68 2HG2 THR 68 1.162 -9.219 -4.038 436 H THR 69 H THR 69 1.232 -10.216 -6.200 437 HA THR 69 HA THR 69 3.067 -11.422 -8.120 438 HB THR 69 HB THR 69 1.329 -10.793 -9.921 439 HG1 THR 69 1HG THR 69 -0.194 -9.762 -8.671 440 HG21 THR 69 3HG2 THR 69 2.041 -13.130 -9.141 441 HG22 THR 69 1HG2 THR 69 0.511 -12.979 -9.992 442 HG23 THR 69 2HG2 THR 69 0.511 -13.136 -8.197 443 H LEU 70 H LEU 70 3.343 -9.747 -9.945 444 HA LEU 70 HA LEU 70 4.439 -7.369 -8.965 445 HB3 LEU 70 2HB LEU 70 3.131 -7.710 -11.712 446 HG LEU 70 HG LEU 70 5.771 -6.891 -11.627 447 HD11 LEU 70 1HD1 LEU 70 5.126 -5.067 -13.116 448 HD12 LEU 70 2HD1 LEU 70 3.447 -5.608 -12.840 449 HD13 LEU 70 3HD1 LEU 70 4.646 -6.736 -13.570 450 HD21 LEU 70 3HD2 LEU 70 5.601 -5.729 -9.548 451 HD22 LEU 70 1HD2 LEU 70 4.344 -4.689 -10.289 452 HD23 LEU 70 2HD2 LEU 70 6.009 -4.718 -10.931 453 H GLU 71 H GLU 71 1.447 -8.091 -10.513 454 HA GLU 71 HA GLU 71 0.659 -5.727 -11.008 455 HB3 GLU 71 2HB GLU 71 -1.865 -7.139 -10.189 456 HG3 GLU 71 2HG GLU 71 -1.344 -8.290 -12.609 457 H MET 72 H MET 72 0.521 -7.087 -7.960 458 HA MET 72 HA MET 72 -1.399 -5.484 -6.470 459 HB3 MET 72 2HB MET 72 0.654 -6.652 -4.793 460 HG3 MET 72 2HG MET 72 -1.773 -6.442 -4.193 461 HE1 MET 72 3HE MET 72 -0.975 -9.610 -6.427 462 HE2 MET 72 1HE MET 72 -1.688 -10.265 -4.942 463 HE3 MET 72 2HE MET 72 -2.560 -10.400 -6.484 464 H ILE 73 H ILE 73 2.066 -5.424 -7.161 465 HA ILE 73 HA ILE 73 2.640 -3.419 -5.190 466 HB ILE 73 HB ILE 73 4.365 -4.638 -7.396 467 HG13 ILE 73 2HG1 ILE 73 5.319 -6.066 -5.553 468 HG21 ILE 73 1HG2 ILE 73 5.347 -2.549 -6.542 469 HG22 ILE 73 2HG2 ILE 73 5.330 -3.217 -4.890 470 HG23 ILE 73 3HG2 ILE 73 6.317 -3.966 -6.172 471 HD11 ILE 73 3HD1 ILE 73 3.947 -6.592 -3.596 472 HD12 ILE 73 1HD1 ILE 73 4.428 -4.893 -3.523 473 HD13 ILE 73 2HD1 ILE 73 2.778 -5.338 -4.007 474 H THR 74 H THR 74 1.830 -3.442 -8.682 475 HA THR 74 HA THR 74 2.478 -0.667 -9.127 476 HB THR 74 HB THR 74 0.633 -1.246 -10.980 477 HG1 THR 74 1HG THR 74 0.374 -3.370 -11.329 478 HG21 THR 74 3HG2 THR 74 3.359 -2.623 -10.914 479 HG22 THR 74 1HG2 THR 74 3.092 -0.900 -11.296 480 HG23 THR 74 2HG2 THR 74 2.428 -2.137 -12.361 481 H ALA 75 H ALA 75 -0.573 -2.320 -8.019 482 HA ALA 75 HA ALA 75 -2.011 0.085 -8.447 483 HB1 ALA 75 1HB ALA 75 -3.868 -0.959 -7.309 484 HB2 ALA 75 2HB ALA 75 -3.082 -2.092 -8.425 485 HB3 ALA 75 3HB ALA 75 -2.799 -2.239 -6.660 486 H TRP 76 H TRP 76 -0.696 -1.182 -5.359 487 HA TRP 76 HA TRP 76 -1.618 1.218 -3.913 488 HB3 TRP 76 2HB TRP 76 -0.604 0.378 -1.941 489 HD1 TRP 76 HD TRP 76 -1.290 -3.065 -3.495 490 HE1 TRP 76 1HE TRP 76 -3.605 -3.844 -2.682 491 HE3 TRP 76 3HE TRP 76 -2.740 1.104 -0.938 492 HZ2 TRP 76 2HZ TRP 76 -5.658 -2.910 -0.813 493 HZ3 TRP 76 3HZ TRP 76 -4.802 1.117 0.441 494 HH2 TRP 76 HH TRP 76 -6.269 -0.933 0.501 495 H GLN 77 H GLN 77 0.775 0.821 -6.140 496 HA GLN 77 HA GLN 77 2.528 2.814 -4.816 497 HB3 GLN 77 2HB GLN 77 2.549 1.597 -7.612 498 HG3 GLN 77 2HG GLN 77 3.826 4.087 -6.477 499 HE21 GLN 77 1HE2 GLN 77 5.725 3.119 -5.905 500 HE22 GLN 77 2HE2 GLN 77 6.907 2.612 -7.112 501 H ASP 78 H ASP 78 0.488 2.505 -7.705 502 HA ASP 78 HA ASP 78 0.601 5.238 -8.250 503 HB3 ASP 78 2HB ASP 78 -1.835 3.792 -9.237 504 H PHE 79 H PHE 79 -1.897 3.437 -6.506 505 HA PHE 79 HA PHE 79 -3.897 5.287 -6.122 506 HB3 PHE 79 2HB PHE 79 -2.694 3.255 -4.216 507 HD1 PHE 79 1HD PHE 79 -6.078 4.710 -5.027 508 HD2 PHE 79 2HD PHE 79 -3.275 3.552 -1.963 509 HE1 PHE 79 1HE PHE 79 -7.736 5.297 -3.301 510 HE2 PHE 79 2HE PHE 79 -4.958 4.133 -0.225 511 HZ PHE 79 HZ PHE 79 -7.170 5.024 -0.891 512 H TYR 80 H TYR 80 -0.887 5.008 -4.157 513 HA TYR 80 HA TYR 80 -1.639 7.341 -2.536 514 HB3 TYR 80 2HB TYR 80 0.625 6.902 -1.498 515 HD1 TYR 80 1HD TYR 80 -2.038 6.695 -0.360 516 HD2 TYR 80 2HD TYR 80 0.658 3.618 -1.583 517 HE1 TYR 80 1HE TYR 80 -3.108 5.154 1.218 518 HE2 TYR 80 2HE TYR 80 -0.433 1.991 -0.076 519 HH TYR 80 HH TYR 80 -2.373 1.635 1.232 520 H GLU 81 H GLU 81 0.640 6.583 -5.180 521 HA GLU 81 HA GLU 81 2.162 8.976 -5.265 522 HB3 GLU 81 2HB GLU 81 2.133 8.660 -7.734 523 HG3 GLU 81 2HG GLU 81 2.701 6.006 -6.390 524 H GLN 82 H GLN 82 -1.105 8.363 -6.649 525 HA GLN 82 HA GLN 82 -1.299 11.037 -7.650 526 HB3 GLN 82 2HB GLN 82 -3.738 10.446 -7.921 527 HG3 GLN 82 2HG GLN 82 -3.431 8.775 -9.620 528 HE21 GLN 82 1HE2 GLN 82 0.047 9.247 -9.421 529 HE22 GLN 82 2HE2 GLN 82 0.117 10.743 -10.328 530 H GLU 83 H GLU 83 -1.672 9.983 -4.428 531 HA GLU 83 HA GLU 83 -3.377 12.226 -3.604 532 HB3 GLU 83 2HB GLU 83 -2.850 11.593 -1.337 533 HG3 GLU 83 2HG GLU 83 -3.035 9.080 -1.252 534 H GLN 84 H GLN 84 0.104 11.664 -4.234 535 HA GLN 84 HA GLN 84 0.982 13.819 -2.491 536 HB3 GLN 84 2HB GLN 84 3.186 13.466 -3.783 537 HG3 GLN 84 2HG GLN 84 1.742 11.531 -2.006 538 HE21 GLN 84 1HE2 GLN 84 1.793 9.482 -2.801 539 HE22 GLN 84 2HE2 GLN 84 3.282 8.640 -3.240 540 H GLN 85 H GLN 85 -0.030 13.664 -5.871 541 HA GLN 85 HA GLN 85 1.211 16.109 -6.638 542 HB3 GLN 85 2HB GLN 85 0.227 14.296 -8.148 543 HG3 GLN 85 2HG GLN 85 -2.282 16.005 -8.005 544 HE21 GLN 85 1HE2 GLN 85 -2.995 12.764 -7.946 545 HE22 GLN 85 2HE2 GLN 85 -3.095 12.459 -9.689 546 H ARG 86 H ARG 86 -1.615 15.519 -4.738 547 HA ARG 86 HA ARG 86 -2.423 18.379 -4.908 548 HB3 ARG 86 2HB ARG 86 -4.281 16.877 -5.080 549 HG3 ARG 86 2HG ARG 86 -3.404 15.757 -2.416 550 HD3 ARG 86 2HD ARG 86 -5.888 14.871 -3.840 551 HE ARG 86 HE ARG 86 -4.816 14.710 -1.054 552 HH11 ARG 86 1HH1 ARG 86 -7.413 13.607 -3.218 553 HH12 ARG 86 2HH1 ARG 86 -7.458 11.988 -2.606 554 HH21 ARG 86 1HH2 ARG 86 -5.025 12.619 -0.059 555 HH22 ARG 86 2HH2 ARG 86 -6.003 11.419 -0.817 556 H ASN 87 H ASN 87 -1.084 15.985 -2.559 557 HA ASN 87 HA ASN 87 -0.457 18.279 -0.797 558 HB3 ASN 87 2HB ASN 87 -2.377 17.588 0.216 559 HD21 ASN 87 1HD2 ASN 87 -0.574 14.511 -0.265 560 HD22 ASN 87 2HD2 ASN 87 -2.028 13.511 -0.262 561 H GLU 88 H GLU 88 1.649 18.302 -1.392 562 HA GLU 88 HA GLU 88 3.530 16.209 -1.296 563 HB3 GLU 88 2HB GLU 88 5.149 18.043 -0.834 564 HG3 GLU 88 2HG GLU 88 3.786 19.814 -2.544 565 H ASN 89 H ASN 89 2.093 18.159 1.268 566 HA ASN 89 HA ASN 89 3.748 17.083 3.438 567 HB3 ASN 89 2HB ASN 89 2.003 18.358 4.850 568 HD21 ASN 89 1HD2 ASN 89 2.630 20.669 2.251 569 HD22 ASN 89 2HD2 ASN 89 3.989 21.408 3.086 570 H ASN 90 H ASN 90 2.902 14.786 2.320 571 HA ASN 90 HA ASN 90 1.082 13.726 4.398 572 HB3 ASN 90 2HB ASN 90 0.461 12.960 1.523 573 HD21 ASN 90 1HD2 ASN 90 -0.015 10.985 3.252 574 HD22 ASN 90 2HD2 ASN 90 -1.674 11.076 3.897 575 HA PRO 91 HA PRO 91 5.067 11.655 3.233 576 HB3 PRO 91 2HB PRO 91 6.021 12.652 5.106 577 HG3 PRO 91 2HG PRO 91 4.806 13.105 7.065 578 HD3 PRO 91 2HD PRO 91 3.748 14.114 5.244 579 H THR 92 H THR 92 2.661 10.231 5.625 580 HA THR 92 HA THR 92 3.442 7.650 5.515 581 HB THR 92 HB THR 92 0.498 8.286 5.503 582 HG1 THR 92 1HG THR 92 0.681 9.152 7.561 583 HG21 THR 92 3HG2 THR 92 0.444 6.615 7.195 584 HG22 THR 92 1HG2 THR 92 2.167 6.826 7.582 585 HG23 THR 92 2HG2 THR 92 1.674 6.035 6.075 586 H ALA 93 H ALA 93 1.273 9.317 3.154 587 HA ALA 93 HA ALA 93 0.782 6.975 1.478 588 HB1 ALA 93 1HB ALA 93 -0.695 8.958 1.463 589 HB2 ALA 93 2HB ALA 93 0.642 9.975 0.878 590 HB3 ALA 93 3HB ALA 93 0.007 8.676 -0.136 591 H LYS 94 H LYS 94 3.126 9.688 1.549 592 HA LYS 94 HA LYS 94 4.347 9.252 -0.910 593 HB3 LYS 94 2HB LYS 94 5.606 10.446 1.595 594 HG3 LYS 94 2HG LYS 94 6.317 10.331 -1.285 595 HD3 LYS 94 2HD LYS 94 5.743 12.797 -0.674 596 HE3 LYS 94 2HE LYS 94 8.372 12.217 0.805 597 HZ1 LYS 94 3HZ LYS 94 7.615 14.963 0.072 598 HZ2 LYS 94 1HZ LYS 94 8.638 14.091 -0.865 599 HZ3 LYS 94 2HZ LYS 94 8.987 14.422 0.722 600 H TYR 95 H TYR 95 5.823 8.286 2.216 601 HA TYR 95 HA TYR 95 7.991 6.946 0.985 602 HB3 TYR 95 2HB TYR 95 8.013 5.601 3.188 603 HD1 TYR 95 1HD TYR 95 10.091 6.919 2.276 604 HD2 TYR 95 2HD TYR 95 7.175 8.480 5.031 605 HE1 TYR 95 1HE TYR 95 11.792 8.365 3.198 606 HE2 TYR 95 2HE TYR 95 8.898 9.958 6.012 607 HH TYR 95 HH TYR 95 12.249 10.065 4.717 608 H ARG 96 H ARG 96 4.728 5.538 1.981 609 HA ARG 96 HA ARG 96 5.600 2.936 1.280 610 HB3 ARG 96 2HB ARG 96 3.827 3.316 2.833 611 HG3 ARG 96 2HG ARG 96 1.888 3.815 0.566 612 HD3 ARG 96 2HD ARG 96 1.734 4.081 3.603 613 HE ARG 96 HE ARG 96 -0.161 4.947 1.532 614 HH11 ARG 96 1HH1 ARG 96 0.209 4.441 5.132 615 HH12 ARG 96 2HH1 ARG 96 -1.212 5.391 5.388 616 HH21 ARG 96 1HH2 ARG 96 -1.817 6.458 2.179 617 HH22 ARG 96 2HH2 ARG 96 -2.052 6.745 3.866 618 H ALA 97 H ALA 97 3.930 5.454 -0.820 619 HA ALA 97 HA ALA 97 3.574 3.833 -3.055 620 HB1 ALA 97 1HB ALA 97 3.547 5.895 -4.276 621 HB2 ALA 97 2HB ALA 97 2.837 6.255 -2.696 622 HB3 ALA 97 3HB ALA 97 4.495 6.748 -3.045 623 H ARG 98 H ARG 98 6.408 5.818 -2.043 624 HA ARG 98 HA ARG 98 8.042 5.106 -4.209 625 HB3 ARG 98 2HB ARG 98 9.868 5.733 -2.275 626 HG3 ARG 98 2HG ARG 98 7.932 7.608 -3.679 627 HD3 ARG 98 2HD ARG 98 10.602 8.114 -2.294 628 HE ARG 98 HE ARG 98 8.941 10.081 -3.760 629 HH11 ARG 98 1HH1 ARG 98 11.950 8.155 -4.190 630 HH12 ARG 98 2HH1 ARG 98 12.619 9.326 -5.286 631 HH21 ARG 98 1HH2 ARG 98 9.771 11.409 -5.342 632 HH22 ARG 98 2HH2 ARG 98 11.260 11.027 -6.126 633 H LEU 99 H LEU 99 7.558 3.421 -1.123 634 HA LEU 99 HA LEU 99 9.768 1.692 -1.240 635 HB3 LEU 99 2HB LEU 99 7.092 0.717 -0.223 636 HG LEU 99 HG LEU 99 9.988 0.626 0.662 637 HD11 LEU 99 1HD1 LEU 99 7.476 0.114 2.342 638 HD12 LEU 99 2HD1 LEU 99 8.661 1.423 2.597 639 HD13 LEU 99 3HD1 LEU 99 9.132 -0.264 2.868 640 HD21 LEU 99 3HD2 LEU 99 9.481 -1.223 -0.600 641 HD22 LEU 99 1HD2 LEU 99 7.980 -1.518 0.326 642 HD23 LEU 99 2HD2 LEU 99 9.577 -1.720 1.084 643 H MET 100 H MET 100 6.490 1.278 -2.555 644 HA MET 100 HA MET 100 6.882 -1.203 -3.780 645 HB3 MET 100 2HB MET 100 4.872 -0.845 -4.900 646 HG3 MET 100 2HG MET 100 3.295 0.200 -3.497 647 HE1 MET 100 3HE MET 100 4.022 -2.961 -1.346 648 HE2 MET 100 1HE MET 100 2.711 -2.072 -2.151 649 HE3 MET 100 2HE MET 100 4.162 -2.541 -3.069 650 H LYS 101 H LYS 101 7.777 2.038 -4.963 651 HA LYS 101 HA LYS 101 8.299 1.418 -7.694 652 HB3 LYS 101 2HB LYS 101 10.062 3.277 -6.064 653 HG3 LYS 101 2HG LYS 101 10.342 3.087 -8.609 654 HD3 LYS 101 2HD LYS 101 8.800 5.084 -9.537 655 HE3 LYS 101 2HE LYS 101 7.922 2.164 -9.645 656 HZ1 LYS 101 3HZ LYS 101 7.187 2.948 -11.865 657 HZ2 LYS 101 1HZ LYS 101 7.289 4.478 -11.380 658 HZ3 LYS 101 2HZ LYS 101 6.218 3.446 -10.626 659 H LYS 102 H LYS 102 10.266 0.902 -4.800 660 HA LYS 102 HA LYS 102 12.570 0.031 -6.390 661 HB3 LYS 102 2HB LYS 102 12.546 -0.659 -3.517 662 HG3 LYS 102 2HG LYS 102 14.219 1.100 -5.356 663 HD3 LYS 102 2HD LYS 102 14.627 0.523 -2.395 664 HE3 LYS 102 2HE LYS 102 16.639 0.409 -4.058 665 HZ1 LYS 102 3HZ LYS 102 17.483 2.480 -4.721 666 HZ2 LYS 102 1HZ LYS 102 16.441 3.359 -3.818 667 HZ3 LYS 102 2HZ LYS 102 15.896 2.562 -5.140 668 H ILE 103 H ILE 103 9.943 -1.499 -4.497 669 HA ILE 103 HA ILE 103 10.826 -4.134 -4.797 670 HB ILE 103 HB ILE 103 8.018 -2.988 -4.574 671 HG13 ILE 103 2HG1 ILE 103 9.828 -2.595 -2.705 672 HG21 ILE 103 1HG2 ILE 103 7.252 -5.193 -3.850 673 HG22 ILE 103 2HG2 ILE 103 7.998 -5.370 -5.438 674 HG23 ILE 103 3HG2 ILE 103 8.898 -5.852 -3.985 675 HD11 ILE 103 3HD1 ILE 103 8.358 -3.402 -0.842 676 HD12 ILE 103 1HD1 ILE 103 7.669 -2.188 -1.913 677 HD13 ILE 103 2HD1 ILE 103 7.169 -3.898 -2.054 678 H ALA 104 H ALA 104 8.634 -2.261 -6.976 679 HA ALA 104 HA ALA 104 8.272 -4.386 -8.859 680 HB1 ALA 104 1HB ALA 104 6.759 -2.428 -8.596 681 HB2 ALA 104 2HB ALA 104 8.047 -1.360 -9.214 682 HB3 ALA 104 3HB ALA 104 7.333 -2.603 -10.262 683 H ASP 105 H ASP 105 10.964 -2.323 -8.359 684 HA ASP 105 HA ASP 105 12.068 -2.220 -11.068 685 HB3 ASP 105 2HB ASP 105 14.157 -2.114 -9.116 686 H LEU 106 H LEU 106 12.696 -4.006 -8.134 687 HA LEU 106 HA LEU 106 14.517 -5.956 -9.222 688 HB3 LEU 106 2HB LEU 106 14.300 -6.752 -6.754 689 HG LEU 106 HG LEU 106 14.941 -3.824 -7.297 690 HD11 LEU 106 1HD1 LEU 106 15.359 -5.409 -4.733 691 HD12 LEU 106 2HD1 LEU 106 14.262 -4.036 -4.962 692 HD13 LEU 106 3HD1 LEU 106 15.999 -3.778 -5.068 693 HD21 LEU 106 3HD2 LEU 106 16.653 -6.313 -6.856 694 HD22 LEU 106 1HD2 LEU 106 17.259 -4.631 -7.015 695 HD23 LEU 106 2HD2 LEU 106 16.464 -5.415 -8.373 696 H TRP 107 H TRP 107 11.388 -5.904 -9.899 697 HA TRP 107 HA TRP 107 10.503 -8.334 -8.806 698 HB3 TRP 107 2HB TRP 107 9.435 -7.244 -11.445 699 HD1 TRP 107 HD TRP 107 7.436 -8.860 -11.928 700 HE1 TRP 107 1HE TRP 107 5.765 -10.196 -10.546 701 HE3 TRP 107 3HE TRP 107 8.728 -7.127 -7.304 702 HZ2 TRP 107 2HZ TRP 107 5.076 -10.510 -7.737 703 HZ3 TRP 107 3HZ TRP 107 7.387 -7.812 -5.291 704 HH2 TRP 107 HH TRP 107 5.524 -9.463 -5.528 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -26.287 -5.604 0.946 2 HA2 GLY 1 1HA GLY 1 -26.935 -7.096 -0.883 3 HA3 GLY 1 2HA GLY 1 -28.069 -5.834 -1.398 4 H THR 2 H THR 2 -27.222 -5.230 -3.377 5 HA THR 2 HA THR 2 -25.447 -3.161 -3.102 6 HB THR 2 HB THR 2 -23.645 -4.822 -3.380 7 HG1 THR 2 1HG THR 2 -23.789 -3.155 -5.649 8 HG21 THR 2 3HG2 THR 2 -24.732 -6.455 -4.832 9 HG22 THR 2 1HG2 THR 2 -23.173 -5.930 -5.476 10 HG23 THR 2 2HG2 THR 2 -24.670 -5.317 -6.199 11 H ASP 3 H ASP 3 -26.004 -1.627 -4.587 12 HA ASP 3 HA ASP 3 -27.975 -1.943 -6.651 13 HB3 ASP 3 2HB ASP 3 -29.136 -2.877 -4.630 14 H PHE 4 H PHE 4 -29.393 0.371 -6.079 15 HA PHE 4 HA PHE 4 -27.630 2.578 -5.428 16 HB3 PHE 4 2HB PHE 4 -28.293 3.764 -7.548 17 HD1 PHE 4 1HD PHE 4 -25.795 3.843 -6.932 18 HD2 PHE 4 2HD PHE 4 -27.544 0.733 -9.348 19 HE1 PHE 4 1HE PHE 4 -23.597 3.440 -7.991 20 HE2 PHE 4 2HE PHE 4 -25.338 0.314 -10.399 21 HZ PHE 4 HZ PHE 4 -23.380 1.699 -9.772 22 H GLY 5 H GLY 5 -29.187 4.638 -5.588 23 HA2 GLY 5 1HA GLY 5 -31.981 4.546 -5.545 24 HA3 GLY 5 2HA GLY 5 -31.496 3.955 -3.956 25 H THR 6 H THR 6 -29.904 6.622 -5.880 26 HA THR 6 HA THR 6 -30.836 8.521 -3.778 27 HB THR 6 HB THR 6 -28.648 9.624 -3.862 28 HG1 THR 6 1HG THR 6 -27.737 8.953 -5.714 29 HG21 THR 6 3HG2 THR 6 -28.509 6.693 -3.006 30 HG22 THR 6 1HG2 THR 6 -29.154 8.039 -2.048 31 HG23 THR 6 2HG2 THR 6 -27.436 8.001 -2.474 32 H THR 7 H THR 7 -31.989 7.793 -6.383 33 HA THR 7 HA THR 7 -31.552 9.977 -8.134 34 HB THR 7 HB THR 7 -34.177 8.502 -7.737 35 HG1 THR 7 1HG THR 7 -31.778 7.505 -8.889 36 HG21 THR 7 3HG2 THR 7 -32.721 9.499 -10.224 37 HG22 THR 7 1HG2 THR 7 -34.115 10.275 -9.436 38 HG23 THR 7 2HG2 THR 7 -34.304 8.678 -10.194 39 H ASN 8 H ASN 8 -32.955 9.696 -5.004 40 HA ASN 8 HA ASN 8 -33.712 12.492 -5.133 41 HB3 ASN 8 2HB ASN 8 -35.279 10.707 -3.266 42 HD21 ASN 8 1HD2 ASN 8 -37.691 12.061 -4.742 43 HD22 ASN 8 2HD2 ASN 8 -37.668 13.669 -4.039 44 H ASN 9 H ASN 9 -33.800 13.081 -2.568 45 HA ASN 9 HA ASN 9 -31.244 12.108 -1.411 46 HB3 ASN 9 2HB ASN 9 -30.954 14.241 -2.678 47 HD21 ASN 9 1HD2 ASN 9 -33.862 14.889 -2.504 48 HD22 ASN 9 2HD2 ASN 9 -33.855 16.472 -1.772 49 H PHE 10 H PHE 10 -32.188 10.805 0.162 50 HA PHE 10 HA PHE 10 -33.192 12.269 2.426 51 HB3 PHE 10 2HB PHE 10 -34.890 9.934 1.471 52 HD1 PHE 10 1HD PHE 10 -35.423 13.384 2.886 53 HD2 PHE 10 2HD PHE 10 -35.837 9.133 3.535 54 HE1 PHE 10 1HE PHE 10 -36.602 13.819 5.025 55 HE2 PHE 10 2HE PHE 10 -37.012 9.577 5.664 56 HZ PHE 10 HZ PHE 10 -37.399 11.918 6.420 57 H VAL 11 H VAL 11 -33.513 10.467 4.274 58 HA VAL 11 HA VAL 11 -31.069 8.842 4.284 59 HB VAL 11 HB VAL 11 -31.848 8.279 6.607 60 HG11 VAL 11 1HG1 VAL 11 -31.459 11.243 5.969 61 HG12 VAL 11 2HG1 VAL 11 -31.130 10.439 7.521 62 HG13 VAL 11 3HG1 VAL 11 -30.170 10.024 6.101 63 HG21 VAL 11 3HG2 VAL 11 -33.478 9.712 7.731 64 HG22 VAL 11 1HG2 VAL 11 -33.874 10.545 6.218 65 HG23 VAL 11 2HG2 VAL 11 -34.283 8.829 6.435 66 H SER 12 H SER 12 -31.073 6.862 3.380 67 HA SER 12 HA SER 12 -33.626 5.344 3.257 68 HB3 SER 12 2HB SER 12 -32.803 4.380 1.172 69 HG SER 12 HG SER 12 -32.712 6.335 -0.076 70 HA PRO 13 HA PRO 13 -31.226 2.320 5.591 71 HB3 PRO 13 2HB PRO 13 -33.168 1.333 6.262 72 HG3 PRO 13 2HG PRO 13 -35.088 1.313 4.839 73 HD3 PRO 13 2HD PRO 13 -34.429 3.555 4.658 74 H ASN 14 H ASN 14 -29.311 2.395 4.213 75 HA ASN 14 HA ASN 14 -28.784 -0.041 2.873 76 HB3 ASN 14 2HB ASN 14 -28.901 2.390 1.087 77 HD21 ASN 14 1HD2 ASN 14 -28.850 1.636 -1.305 78 HD22 ASN 14 2HD2 ASN 14 -27.911 0.202 -1.621 79 H LEU 15 H LEU 15 -26.646 -0.192 2.343 80 HA LEU 15 HA LEU 15 -24.786 1.487 3.780 81 HB3 LEU 15 2HB LEU 15 -24.039 -0.734 1.863 82 HG LEU 15 HG LEU 15 -22.317 0.718 3.297 83 HD11 LEU 15 1HD1 LEU 15 -23.390 -1.189 5.420 84 HD12 LEU 15 2HD1 LEU 15 -23.530 0.576 5.438 85 HD13 LEU 15 3HD1 LEU 15 -21.939 -0.181 5.563 86 HD21 LEU 15 3HD2 LEU 15 -21.635 -1.209 2.039 87 HD22 LEU 15 1HD2 LEU 15 -22.354 -2.313 3.221 88 HD23 LEU 15 2HD2 LEU 15 -20.933 -1.339 3.664 89 H GLN 16 H GLN 16 -26.033 3.058 1.798 90 HA GLN 16 HA GLN 16 -24.354 3.250 -0.577 91 HB3 GLN 16 2HB GLN 16 -26.270 5.402 0.333 92 HG3 GLN 16 2HG GLN 16 -24.849 5.312 -1.953 93 HE21 GLN 16 1HE2 GLN 16 -24.614 2.799 -2.507 94 HE22 GLN 16 2HE2 GLN 16 -25.844 2.142 -3.543 95 H LEU 17 H LEU 17 -23.072 3.518 2.048 96 HA LEU 17 HA LEU 17 -21.656 6.081 1.783 97 HB3 LEU 17 2HB LEU 17 -22.877 6.854 3.494 98 HG LEU 17 HG LEU 17 -23.472 5.615 5.611 99 HD11 LEU 17 1HD1 LEU 17 -25.142 6.425 3.991 100 HD12 LEU 17 2HD1 LEU 17 -25.666 4.987 4.863 101 HD13 LEU 17 3HD1 LEU 17 -25.134 4.847 3.188 102 HD21 LEU 17 3HD2 LEU 17 -24.147 3.230 5.409 103 HD22 LEU 17 1HD2 LEU 17 -22.400 3.488 5.443 104 HD23 LEU 17 2HD2 LEU 17 -23.231 3.108 3.920 105 H LYS 18 H LYS 18 -20.356 4.633 0.694 106 HA LYS 18 HA LYS 18 -18.811 2.652 2.260 107 HB3 LYS 18 2HB LYS 18 -18.100 3.457 -0.571 108 HG3 LYS 18 2HG LYS 18 -18.405 0.801 0.881 109 HD3 LYS 18 2HD LYS 18 -17.057 1.583 -1.714 110 HE3 LYS 18 2HE LYS 18 -16.979 -1.113 -0.273 111 HZ1 LYS 18 3HZ LYS 18 -16.033 -0.173 -2.882 112 HZ2 LYS 18 1HZ LYS 18 -16.799 -1.618 -2.477 113 HZ3 LYS 18 2HZ LYS 18 -15.209 -1.337 -2.101 114 H GLN 19 H GLN 19 -16.604 3.054 2.838 115 HA GLN 19 HA GLN 19 -15.736 5.877 2.594 116 HB3 GLN 19 2HB GLN 19 -14.822 5.580 4.813 117 HG3 GLN 19 2HG GLN 19 -17.620 4.332 4.811 118 HE21 GLN 19 1HE2 GLN 19 -16.847 3.240 6.852 119 HE22 GLN 19 2HE2 GLN 19 -16.696 4.252 8.273 120 H ASN 20 H ASN 20 -13.209 5.912 3.002 121 HA ASN 20 HA ASN 20 -12.151 4.341 0.776 122 HB3 ASN 20 2HB ASN 20 -10.535 6.265 2.450 123 HD21 ASN 20 1HD2 ASN 20 -9.145 4.121 1.348 124 HD22 ASN 20 2HD2 ASN 20 -8.522 4.565 -0.226 125 H VAL 21 H VAL 21 -12.408 2.305 1.816 126 HA VAL 21 HA VAL 21 -11.014 1.570 4.188 127 HB VAL 21 HB VAL 21 -11.825 -0.341 1.998 128 HG11 VAL 21 1HG1 VAL 21 -12.509 -1.760 3.923 129 HG12 VAL 21 2HG1 VAL 21 -10.808 -1.324 4.027 130 HG13 VAL 21 3HG1 VAL 21 -12.002 -0.482 5.045 131 HG21 VAL 21 3HG2 VAL 21 -13.692 1.339 3.666 132 HG22 VAL 21 1HG2 VAL 21 -13.815 0.833 1.967 133 HG23 VAL 21 2HG2 VAL 21 -14.157 -0.313 3.249 134 H LEU 22 H LEU 22 -9.154 0.189 4.397 135 HA LEU 22 HA LEU 22 -6.973 0.664 2.579 136 HB3 LEU 22 2HB LEU 22 -5.790 -0.995 4.042 137 HG LEU 22 HG LEU 22 -7.479 0.980 5.631 138 HD11 LEU 22 1HD1 LEU 22 -6.600 -0.778 7.073 139 HD12 LEU 22 2HD1 LEU 22 -5.755 0.739 7.386 140 HD13 LEU 22 3HD1 LEU 22 -4.962 -0.544 6.432 141 HD21 LEU 22 3HD2 LEU 22 -4.665 1.244 4.515 142 HD22 LEU 22 1HD2 LEU 22 -5.472 2.384 5.632 143 HD23 LEU 22 2HD2 LEU 22 -6.124 2.141 4.021 144 HA PRO 23 HA PRO 23 -7.402 -3.099 0.045 145 HB3 PRO 23 2HB PRO 23 -5.752 -2.400 -1.355 146 HG3 PRO 23 2HG PRO 23 -4.024 -0.977 -0.589 147 HD3 PRO 23 2HD PRO 23 -5.919 0.051 0.349 148 HA PRO 24 HA PRO 24 -6.567 -6.562 2.729 149 HB3 PRO 24 2HB PRO 24 -7.638 -7.928 1.213 150 HG3 PRO 24 2HG PRO 24 -7.367 -7.621 -1.122 151 HD3 PRO 24 2HD PRO 24 -7.836 -5.426 -0.409 152 H THR 25 H THR 25 -4.929 -8.470 3.135 153 HA THR 25 HA THR 25 -2.101 -7.683 2.706 154 HB THR 25 HB THR 25 -2.021 -8.322 5.318 155 HG1 THR 25 1HG THR 25 -4.211 -8.696 5.686 156 HG21 THR 25 3HG2 THR 25 -2.080 -5.947 5.829 157 HG22 THR 25 1HG2 THR 25 -3.027 -5.617 4.368 158 HG23 THR 25 2HG2 THR 25 -1.346 -6.151 4.221 159 HA PRO 26 HA PRO 26 -1.586 -12.110 2.485 160 HB3 PRO 26 2HB PRO 26 0.704 -12.016 2.195 161 HG3 PRO 26 2HG PRO 26 1.827 -10.172 2.988 162 HD3 PRO 26 2HD PRO 26 0.062 -8.734 2.700 163 H LYS 27 H LYS 27 -1.965 -13.983 3.822 164 HA LYS 27 HA LYS 27 -3.445 -13.313 6.177 165 HB3 LYS 27 2HB LYS 27 -4.264 -14.913 4.573 166 HG3 LYS 27 2HG LYS 27 -1.806 -16.517 5.345 167 HD3 LYS 27 2HD LYS 27 -3.204 -18.354 4.039 168 HE3 LYS 27 2HE LYS 27 -2.184 -18.826 6.186 169 HZ1 LYS 27 3HZ LYS 27 -4.553 -17.567 7.462 170 HZ2 LYS 27 1HZ LYS 27 -3.024 -16.975 7.484 171 HZ3 LYS 27 2HZ LYS 27 -3.359 -18.366 8.237 172 H ASN 28 H ASN 28 -0.681 -12.714 6.725 173 HA ASN 28 HA ASN 28 0.120 -14.841 8.580 174 HB3 ASN 28 2HB ASN 28 2.488 -14.193 7.746 175 HD21 ASN 28 1HD2 ASN 28 0.531 -15.174 4.814 176 HD22 ASN 28 2HD2 ASN 28 0.749 -16.855 5.167 177 H ILE 29 H ILE 29 0.196 -11.287 7.802 178 HA ILE 29 HA ILE 29 0.724 -10.817 10.627 179 HB ILE 29 HB ILE 29 2.649 -9.500 10.352 180 HG13 ILE 29 2HG1 ILE 29 3.798 -8.857 8.423 181 HG21 ILE 29 1HG2 ILE 29 3.162 -11.810 10.549 182 HG22 ILE 29 2HG2 ILE 29 3.176 -12.003 8.773 183 HG23 ILE 29 3HG2 ILE 29 4.383 -10.974 9.565 184 HD11 ILE 29 3HD1 ILE 29 1.969 -10.630 6.788 185 HD12 ILE 29 1HD1 ILE 29 2.973 -9.336 6.134 186 HD13 ILE 29 2HD1 ILE 29 3.750 -10.709 6.927 187 HA PRO 30 HA PRO 30 -1.925 -7.379 9.497 188 HB3 PRO 30 2HB PRO 30 -2.102 -7.062 11.809 189 HG3 PRO 30 2HG PRO 30 -0.222 -7.041 13.237 190 HD3 PRO 30 2HD PRO 30 -0.111 -9.143 12.108 191 H LEU 31 H LEU 31 -1.923 -5.082 8.719 192 HA LEU 31 HA LEU 31 -0.065 -4.428 6.797 193 HB3 LEU 31 2HB LEU 31 -1.925 -2.649 8.390 194 HG LEU 31 HG LEU 31 -1.938 -1.258 6.290 195 HD11 LEU 31 1HD1 LEU 31 -0.330 0.356 6.997 196 HD12 LEU 31 2HD1 LEU 31 0.561 -0.822 7.944 197 HD13 LEU 31 3HD1 LEU 31 -1.092 -0.358 8.425 198 HD21 LEU 31 3HD2 LEU 31 -0.045 -1.078 4.862 199 HD22 LEU 31 1HD2 LEU 31 -0.463 -2.788 4.933 200 HD23 LEU 31 2HD2 LEU 31 0.932 -2.172 5.846 201 HA PRO 32 HA PRO 32 2.649 -1.664 9.601 202 HB3 PRO 32 2HB PRO 32 1.483 -0.655 11.288 203 HG3 PRO 32 2HG PRO 32 -0.256 -1.807 12.477 204 HD3 PRO 32 2HD PRO 32 -0.753 -1.869 10.145 205 H ALA 33 H ALA 33 2.223 -4.959 9.698 206 HA ALA 33 HA ALA 33 5.024 -5.371 10.666 207 HB1 ALA 33 1HB ALA 33 4.432 -7.760 10.732 208 HB2 ALA 33 2HB ALA 33 3.472 -6.804 11.880 209 HB3 ALA 33 3HB ALA 33 2.756 -7.328 10.342 210 H PHE 34 H PHE 34 2.578 -5.975 8.129 211 HA PHE 34 HA PHE 34 4.134 -7.289 6.274 212 HB3 PHE 34 2HB PHE 34 1.810 -5.424 5.778 213 HD1 PHE 34 1HD PHE 34 3.781 -8.398 4.460 214 HD2 PHE 34 2HD PHE 34 0.991 -5.206 3.549 215 HE1 PHE 34 1HE PHE 34 4.040 -8.834 2.076 216 HE2 PHE 34 2HE PHE 34 1.212 -5.728 1.151 217 HZ PHE 34 HZ PHE 34 2.754 -7.497 0.393 218 H GLY 35 H GLY 35 4.412 -4.035 7.169 219 HA2 GLY 35 1HA GLY 35 6.157 -3.383 4.828 220 HA3 GLY 35 2HA GLY 35 5.463 -2.241 5.957 221 H GLN 36 H GLN 36 6.011 -2.698 8.304 222 HA GLN 36 HA GLN 36 8.600 -1.957 8.687 223 HB3 GLN 36 2HB GLN 36 8.097 -2.533 11.146 224 HG3 GLN 36 2HG GLN 36 7.488 -0.324 10.722 225 HE21 GLN 36 1HE2 GLN 36 7.110 1.044 9.147 226 HE22 GLN 36 2HE2 GLN 36 5.676 1.082 8.101 227 H ARG 37 H ARG 37 7.452 -5.400 8.942 228 HA ARG 37 HA ARG 37 10.305 -6.151 9.532 229 HB3 ARG 37 2HB ARG 37 9.249 -8.136 10.697 230 HG3 ARG 37 2HG ARG 37 8.645 -5.525 12.105 231 HD3 ARG 37 2HD ARG 37 9.875 -8.201 12.911 232 HE ARG 37 HE ARG 37 10.503 -5.642 14.009 233 HH11 ARG 37 1HH1 ARG 37 9.609 -8.900 15.282 234 HH12 ARG 37 2HH1 ARG 37 10.755 -8.761 16.563 235 HH21 ARG 37 1HH2 ARG 37 11.910 -5.536 15.699 236 HH22 ARG 37 2HH2 ARG 37 12.114 -6.856 16.801 237 H ILE 38 H ILE 38 8.861 -5.827 6.952 238 HA ILE 38 HA ILE 38 9.465 -8.534 5.865 239 HB ILE 38 HB ILE 38 6.959 -6.914 5.373 240 HG13 ILE 38 2HG1 ILE 38 5.652 -8.594 6.433 241 HG21 ILE 38 1HG2 ILE 38 7.816 -9.559 4.134 242 HG22 ILE 38 2HG2 ILE 38 6.184 -8.865 4.010 243 HG23 ILE 38 3HG2 ILE 38 7.550 -8.003 3.315 244 HD11 ILE 38 3HD1 ILE 38 6.724 -10.409 7.811 245 HD12 ILE 38 1HD1 ILE 38 6.641 -10.668 6.060 246 HD13 ILE 38 2HD1 ILE 38 8.180 -10.194 6.818 247 H ILE 39 H ILE 39 8.333 -5.268 4.815 248 HA ILE 39 HA ILE 39 10.116 -5.191 2.522 249 HB ILE 39 HB ILE 39 8.510 -2.955 3.838 250 HG13 ILE 39 2HG1 ILE 39 6.750 -3.325 2.165 251 HG21 ILE 39 1HG2 ILE 39 9.633 -3.249 1.015 252 HG22 ILE 39 2HG2 ILE 39 8.574 -1.936 1.554 253 HG23 ILE 39 3HG2 ILE 39 10.189 -2.120 2.247 254 HD11 ILE 39 3HD1 ILE 39 7.933 -6.087 1.721 255 HD12 ILE 39 1HD1 ILE 39 6.430 -5.435 1.055 256 HD13 ILE 39 2HD1 ILE 39 7.987 -4.788 0.504 257 H GLY 40 H GLY 40 10.133 -4.044 5.907 258 HA2 GLY 40 1HA GLY 40 11.961 -3.427 7.206 259 HA3 GLY 40 2HA GLY 40 13.021 -3.676 5.837 260 H TRP 41 H TRP 41 10.388 -1.613 5.124 261 HA TRP 41 HA TRP 41 11.989 0.727 4.681 262 HB3 TRP 41 2HB TRP 41 10.078 -0.067 3.303 263 HD1 TRP 41 HD TRP 41 8.821 -0.098 6.787 264 HE1 TRP 41 1HE TRP 41 6.368 -0.381 6.899 265 HE3 TRP 41 3HE TRP 41 7.687 0.759 1.824 266 HZ2 TRP 41 2HZ TRP 41 4.109 -0.554 5.022 267 HZ3 TRP 41 3HZ TRP 41 5.381 0.380 1.036 268 HH2 TRP 41 HH TRP 41 3.588 -0.248 2.630 269 H GLY 42 H GLY 42 11.902 -0.060 7.513 270 HA2 GLY 42 1HA GLY 42 11.749 0.894 9.598 271 HA3 GLY 42 2HA GLY 42 11.912 2.427 8.753 272 H THR 43 H THR 43 10.366 3.793 9.052 273 HA THR 43 HA THR 43 7.584 2.998 8.955 274 HB THR 43 HB THR 43 8.422 4.613 11.373 275 HG1 THR 43 1HG THR 43 8.847 2.925 12.519 276 HG21 THR 43 3HG2 THR 43 6.081 2.720 10.833 277 HG22 THR 43 1HG2 THR 43 6.005 4.502 10.738 278 HG23 THR 43 2HG2 THR 43 6.309 3.720 12.288 279 H GLY 44 H GLY 44 6.199 5.012 8.928 280 HA2 GLY 44 1HA GLY 44 5.665 6.991 7.951 281 HA3 GLY 44 2HA GLY 44 7.195 7.580 8.616 282 H ALA 45 H ALA 45 7.506 8.852 6.882 283 HA ALA 45 HA ALA 45 7.882 7.989 4.103 284 HB1 ALA 45 1HB ALA 45 8.792 10.474 5.662 285 HB2 ALA 45 2HB ALA 45 8.892 10.277 3.916 286 HB3 ALA 45 3HB ALA 45 7.302 10.356 4.705 287 H GLU 46 H GLU 46 9.986 8.637 7.010 288 HA GLU 46 HA GLU 46 12.266 8.942 5.642 289 HB3 GLU 46 2HB GLU 46 11.853 7.930 8.483 290 HG3 GLU 46 2HG GLU 46 13.265 9.853 8.979 291 H GLY 47 H GLY 47 11.047 5.885 7.233 292 HA2 GLY 47 1HA GLY 47 13.511 4.527 6.633 293 HA3 GLY 47 2HA GLY 47 12.000 3.754 7.092 294 H ALA 48 H ALA 48 10.410 4.850 4.925 295 HA ALA 48 HA ALA 48 11.114 3.061 2.758 296 HB1 ALA 48 1HB ALA 48 9.135 4.036 1.625 297 HB2 ALA 48 2HB ALA 48 8.740 3.607 3.298 298 HB3 ALA 48 3HB ALA 48 9.029 5.301 2.869 299 H ARG 49 H ARG 49 12.092 6.287 3.540 300 HA ARG 49 HA ARG 49 13.037 6.866 0.815 301 HB3 ARG 49 2HB ARG 49 13.318 8.259 3.533 302 HG3 ARG 49 2HG ARG 49 13.878 10.278 1.970 303 HD3 ARG 49 2HD ARG 49 15.869 8.204 2.965 304 HE ARG 49 HE ARG 49 16.937 10.806 2.873 305 HH11 ARG 49 1HH1 ARG 49 16.517 7.919 0.763 306 HH12 ARG 49 2HH1 ARG 49 17.613 8.535 -0.427 307 HH21 ARG 49 1HH2 ARG 49 18.784 11.238 1.554 308 HH22 ARG 49 2HH2 ARG 49 19.169 10.180 0.262 309 H GLN 50 H GLN 50 14.310 5.493 3.814 310 HA GLN 50 HA GLN 50 17.059 5.484 2.825 311 HB3 GLN 50 2HB GLN 50 17.482 3.853 4.663 312 HG3 GLN 50 2HG GLN 50 17.111 5.224 6.589 313 HE21 GLN 50 1HE2 GLN 50 16.573 8.145 5.850 314 HE22 GLN 50 2HE2 GLN 50 18.075 8.666 5.081 315 H ARG 51 H ARG 51 14.711 2.786 3.379 316 HA ARG 51 HA ARG 51 16.453 1.121 1.792 317 HB3 ARG 51 2HB ARG 51 14.774 -0.712 2.493 318 HG3 ARG 51 2HG ARG 51 15.394 -0.481 4.942 319 HD3 ARG 51 2HD ARG 51 17.903 -0.468 4.628 320 HE ARG 51 HE ARG 51 16.116 -2.396 3.901 321 HH11 ARG 51 1HH1 ARG 51 19.342 -1.615 2.414 322 HH12 ARG 51 2HH1 ARG 51 19.716 -3.279 2.262 323 HH21 ARG 51 1HH2 ARG 51 16.644 -4.512 3.433 324 HH22 ARG 51 2HH2 ARG 51 18.074 -4.864 2.558 325 H LEU 52 H LEU 52 15.259 3.178 0.242 326 HA LEU 52 HA LEU 52 13.826 1.621 -1.873 327 HB3 LEU 52 2HB LEU 52 13.698 4.408 -0.826 328 HG LEU 52 HG LEU 52 13.845 5.104 -3.048 329 HD11 LEU 52 1HD1 LEU 52 12.122 2.767 -3.885 330 HD12 LEU 52 2HD1 LEU 52 13.720 3.218 -4.485 331 HD13 LEU 52 3HD1 LEU 52 12.340 4.225 -4.878 332 HD21 LEU 52 3HD2 LEU 52 11.903 5.823 -1.644 333 HD22 LEU 52 1HD2 LEU 52 10.886 4.703 -2.548 334 HD23 LEU 52 2HD2 LEU 52 11.698 6.061 -3.390 335 H GLU 53 H GLU 53 16.025 4.453 -1.457 336 HA GLU 53 HA GLU 53 16.613 4.432 -4.238 337 HB3 GLU 53 2HB GLU 53 18.024 6.349 -3.721 338 HG3 GLU 53 2HG GLU 53 15.635 6.382 -1.813 339 H ASN 54 H ASN 54 17.707 2.342 -2.038 340 HA ASN 54 HA ASN 54 20.137 1.565 -3.488 341 HB3 ASN 54 2HB ASN 54 21.142 2.858 -1.802 342 HD21 ASN 54 1HD2 ASN 54 18.825 0.780 0.132 343 HD22 ASN 54 2HD2 ASN 54 18.147 2.254 0.910 344 H ILE 55 H ILE 55 17.645 0.428 -3.760 345 HA ILE 55 HA ILE 55 17.251 -1.760 -1.880 346 HB ILE 55 HB ILE 55 15.499 -0.592 -3.284 347 HG13 ILE 55 2HG1 ILE 55 15.558 -3.188 -2.273 348 HG21 ILE 55 1HG2 ILE 55 16.554 -2.371 -5.517 349 HG22 ILE 55 2HG2 ILE 55 15.066 -1.417 -5.559 350 HG23 ILE 55 3HG2 ILE 55 16.650 -0.600 -5.451 351 HD11 ILE 55 3HD1 ILE 55 13.140 -3.032 -2.370 352 HD12 ILE 55 1HD1 ILE 55 13.864 -1.476 -1.913 353 HD13 ILE 55 2HD1 ILE 55 13.246 -1.716 -3.569 354 H GLN 56 H GLN 56 17.358 -4.105 -2.598 355 HA GLN 56 HA GLN 56 19.535 -4.606 -4.532 356 HB3 GLN 56 2HB GLN 56 20.392 -6.320 -3.073 357 HG3 GLN 56 2HG GLN 56 20.877 -5.300 -0.943 358 HE21 GLN 56 1HE2 GLN 56 20.552 -2.067 -1.669 359 HE22 GLN 56 2HE2 GLN 56 21.974 -1.854 -2.624 360 HA PRO 57 HA PRO 57 16.703 -7.456 -6.446 361 HB3 PRO 57 2HB PRO 57 18.304 -7.754 -8.065 362 HG3 PRO 57 2HG PRO 57 20.614 -7.856 -7.531 363 HD3 PRO 57 2HD PRO 57 19.946 -5.897 -6.346 364 H ALA 58 H ALA 58 18.716 -8.536 -3.741 365 HA ALA 58 HA ALA 58 17.029 -10.927 -3.377 366 HB1 ALA 58 1HB ALA 58 18.504 -11.351 -1.440 367 HB2 ALA 58 2HB ALA 58 19.439 -11.104 -2.932 368 HB3 ALA 58 3HB ALA 58 19.327 -9.800 -1.727 369 H ASP 59 H ASP 59 16.973 -7.562 -2.435 370 HA ASP 59 HA ASP 59 15.623 -7.968 0.108 371 HB3 ASP 59 2HB ASP 59 14.994 -5.435 -0.466 372 H VAL 60 H VAL 60 14.689 -7.667 -3.257 373 HA VAL 60 HA VAL 60 11.833 -7.381 -2.694 374 HB VAL 60 HB VAL 60 12.438 -6.578 -4.798 375 HG11 VAL 60 1HG1 VAL 60 14.611 -7.536 -5.217 376 HG12 VAL 60 2HG1 VAL 60 13.903 -9.178 -5.395 377 HG13 VAL 60 3HG1 VAL 60 13.540 -7.948 -6.557 378 HG21 VAL 60 3HG2 VAL 60 11.176 -7.889 -6.379 379 HG22 VAL 60 1HG2 VAL 60 11.344 -9.359 -5.410 380 HG23 VAL 60 2HG2 VAL 60 10.384 -7.994 -4.803 381 H SER 61 H SER 61 14.040 -10.041 -3.743 382 HA SER 61 HA SER 61 12.081 -11.885 -3.731 383 HB3 SER 61 2HB SER 61 14.063 -13.553 -3.694 384 HG SER 61 HG SER 61 14.688 -12.649 -5.740 385 H MET 62 H MET 62 13.856 -10.941 -1.035 386 HA MET 62 HA MET 62 13.276 -13.133 0.664 387 HB3 MET 62 2HB MET 62 15.072 -11.638 1.201 388 HG3 MET 62 2HG MET 62 12.872 -9.721 2.075 389 HE1 MET 62 3HE MET 62 14.804 -11.242 4.389 390 HE2 MET 62 1HE MET 62 14.950 -9.779 5.370 391 HE3 MET 62 2HE MET 62 13.407 -10.153 4.559 392 H ILE 63 H ILE 63 11.204 -10.503 -0.393 393 HA ILE 63 HA ILE 63 9.393 -10.732 1.831 394 HB ILE 63 HB ILE 63 9.214 -9.438 -0.928 395 HG13 ILE 63 2HG1 ILE 63 10.848 -8.554 0.958 396 HG21 ILE 63 1HG2 ILE 63 6.973 -9.782 -0.380 397 HG22 ILE 63 2HG2 ILE 63 7.191 -9.323 1.324 398 HG23 ILE 63 3HG2 ILE 63 7.262 -8.114 0.033 399 HD11 ILE 63 3HD1 ILE 63 10.476 -7.248 -1.010 400 HD12 ILE 63 1HD1 ILE 63 8.873 -6.746 -0.487 401 HD13 ILE 63 2HD1 ILE 63 10.299 -6.195 0.408 402 H LYS 64 H LYS 64 9.574 -12.337 -1.340 403 HA LYS 64 HA LYS 64 6.929 -13.505 -1.250 404 HB3 LYS 64 2HB LYS 64 7.833 -15.215 -2.758 405 HG3 LYS 64 2HG LYS 64 7.832 -12.411 -3.250 406 HD3 LYS 64 2HD LYS 64 10.319 -12.850 -3.510 407 HE3 LYS 64 2HE LYS 64 9.406 -14.014 -6.156 408 HZ1 LYS 64 3HZ LYS 64 11.605 -12.814 -6.097 409 HZ2 LYS 64 1HZ LYS 64 11.691 -14.343 -6.591 410 HZ3 LYS 64 2HZ LYS 64 12.155 -13.977 -5.077 411 H LYS 65 H LYS 65 9.997 -14.377 0.234 412 HA LYS 65 HA LYS 65 9.240 -16.979 1.052 413 HB3 LYS 65 2HB LYS 65 11.166 -16.450 2.821 414 HG3 LYS 65 2HG LYS 65 11.270 -16.946 -0.058 415 HD3 LYS 65 2HD LYS 65 12.553 -14.853 0.009 416 HE3 LYS 65 2HE LYS 65 14.913 -14.900 0.741 417 HZ1 LYS 65 3HZ LYS 65 13.066 -14.450 2.602 418 HZ2 LYS 65 1HZ LYS 65 14.687 -14.448 2.901 419 HZ3 LYS 65 2HZ LYS 65 13.834 -15.754 3.273 420 H GLN 66 H GLN 66 8.311 -13.893 2.313 421 HA GLN 66 HA GLN 66 7.439 -15.111 4.882 422 HB3 GLN 66 2HB GLN 66 6.922 -12.659 5.374 423 HG3 GLN 66 2HG GLN 66 8.978 -14.081 6.135 424 HE21 GLN 66 1HE2 GLN 66 10.047 -10.968 4.639 425 HE22 GLN 66 2HE2 GLN 66 11.396 -11.721 3.809 426 H GLY 67 H GLY 67 6.132 -15.302 1.973 427 HA2 GLY 67 1HA GLY 67 4.031 -16.238 1.751 428 HA3 GLY 67 2HA GLY 67 3.455 -15.403 3.199 429 H THR 68 H THR 68 5.142 -13.695 0.644 430 HA THR 68 HA THR 68 2.701 -12.092 0.136 431 HB THR 68 HB THR 68 5.570 -11.447 -0.607 432 HG1 THR 68 1HG THR 68 5.943 -11.523 1.423 433 HG21 THR 68 3HG2 THR 68 3.099 -9.762 -0.048 434 HG22 THR 68 1HG2 THR 68 4.035 -9.858 -1.556 435 HG23 THR 68 2HG2 THR 68 4.735 -9.076 -0.153 436 H THR 69 H THR 69 2.421 -11.261 -2.202 437 HA THR 69 HA THR 69 3.656 -12.966 -4.277 438 HB THR 69 HB THR 69 1.497 -12.672 -5.546 439 HG1 THR 69 1HG THR 69 -0.340 -12.196 -4.374 440 HG21 THR 69 3HG2 THR 69 0.306 -14.498 -4.333 441 HG22 THR 69 1HG2 THR 69 1.348 -14.245 -2.921 442 HG23 THR 69 2HG2 THR 69 2.053 -14.812 -4.448 443 H LEU 70 H LEU 70 3.420 -11.812 -6.418 444 HA LEU 70 HA LEU 70 4.553 -9.224 -6.495 445 HB3 LEU 70 2HB LEU 70 2.602 -10.519 -8.492 446 HG LEU 70 HG LEU 70 5.046 -9.440 -9.469 447 HD11 LEU 70 1HD1 LEU 70 2.270 -8.890 -10.413 448 HD12 LEU 70 2HD1 LEU 70 3.283 -10.281 -10.874 449 HD13 LEU 70 3HD1 LEU 70 3.791 -8.663 -11.325 450 HD21 LEU 70 3HD2 LEU 70 3.271 -7.214 -8.616 451 HD22 LEU 70 1HD2 LEU 70 4.749 -7.115 -9.607 452 HD23 LEU 70 2HD2 LEU 70 4.873 -7.625 -7.925 453 H GLU 71 H GLU 71 1.358 -10.433 -6.885 454 HA GLU 71 HA GLU 71 0.222 -8.227 -7.725 455 HB3 GLU 71 2HB GLU 71 -1.502 -10.139 -6.045 456 HG3 GLU 71 2HG GLU 71 -1.634 -9.698 -8.991 457 H MET 72 H MET 72 0.869 -9.007 -4.535 458 HA MET 72 HA MET 72 -0.992 -7.346 -3.006 459 HB3 MET 72 2HB MET 72 1.549 -7.976 -1.654 460 HG3 MET 72 2HG MET 72 -1.274 -9.007 -1.369 461 HE1 MET 72 3HE MET 72 0.001 -12.276 -0.001 462 HE2 MET 72 1HE MET 72 -1.340 -11.392 -0.764 463 HE3 MET 72 2HE MET 72 0.247 -11.458 -1.559 464 H ILE 73 H ILE 73 2.217 -6.989 -4.467 465 HA ILE 73 HA ILE 73 2.931 -4.573 -3.033 466 HB ILE 73 HB ILE 73 4.148 -5.867 -5.518 467 HG13 ILE 73 2HG1 ILE 73 5.882 -6.763 -3.961 468 HG21 ILE 73 1HG2 ILE 73 6.179 -4.651 -5.039 469 HG22 ILE 73 2HG2 ILE 73 4.844 -3.537 -5.299 470 HG23 ILE 73 3HG2 ILE 73 5.424 -3.847 -3.655 471 HD11 ILE 73 3HD1 ILE 73 5.393 -5.397 -1.890 472 HD12 ILE 73 1HD1 ILE 73 3.852 -6.272 -1.721 473 HD13 ILE 73 2HD1 ILE 73 5.388 -7.147 -1.616 474 H THR 74 H THR 74 1.757 -5.399 -6.346 475 HA THR 74 HA THR 74 1.590 -2.747 -7.379 476 HB THR 74 HB THR 74 -0.255 -3.883 -8.815 477 HG1 THR 74 1HG THR 74 -0.670 -5.928 -8.485 478 HG21 THR 74 3HG2 THR 74 2.537 -5.100 -8.651 479 HG22 THR 74 1HG2 THR 74 2.012 -3.722 -9.645 480 HG23 THR 74 2HG2 THR 74 1.391 -5.340 -10.001 481 H ALA 75 H ALA 75 -0.641 -4.573 -5.264 482 HA ALA 75 HA ALA 75 -2.714 -2.601 -5.448 483 HB1 ALA 75 1HB ALA 75 -3.678 -3.715 -3.525 484 HB2 ALA 75 2HB ALA 75 -3.146 -4.879 -4.769 485 HB3 ALA 75 3HB ALA 75 -2.187 -4.661 -3.280 486 H TRP 76 H TRP 76 -0.270 -3.198 -2.821 487 HA TRP 76 HA TRP 76 -1.208 -0.933 -1.298 488 HB3 TRP 76 2HB TRP 76 1.119 -1.279 -0.171 489 HD1 TRP 76 HD TRP 76 -0.347 -4.769 -0.333 490 HE1 TRP 76 1HE TRP 76 -2.024 -5.138 1.541 491 HE3 TRP 76 3HE TRP 76 -0.617 0.007 1.477 492 HZ2 TRP 76 2HZ TRP 76 -3.325 -3.587 3.593 493 HZ3 TRP 76 3HZ TRP 76 -2.165 0.544 3.341 494 HH2 TRP 76 HH TRP 76 -3.521 -1.269 4.399 495 H GLN 77 H GLN 77 1.105 -1.310 -3.936 496 HA GLN 77 HA GLN 77 2.450 1.172 -3.732 497 HB3 GLN 77 2HB GLN 77 1.589 -0.449 -6.183 498 HG3 GLN 77 2HG GLN 77 3.683 1.722 -5.806 499 HE21 GLN 77 1HE2 GLN 77 3.710 2.031 -8.701 500 HE22 GLN 77 2HE2 GLN 77 4.811 0.748 -9.276 501 H ASP 78 H ASP 78 -0.432 0.251 -5.698 502 HA ASP 78 HA ASP 78 -0.857 2.844 -6.682 503 HB3 ASP 78 2HB ASP 78 -3.164 0.932 -6.282 504 H PHE 79 H PHE 79 -2.118 1.215 -3.820 505 HA PHE 79 HA PHE 79 -4.011 3.122 -2.938 506 HB3 PHE 79 2HB PHE 79 -2.240 1.127 -1.505 507 HD1 PHE 79 1HD PHE 79 -5.726 2.373 -0.957 508 HD2 PHE 79 2HD PHE 79 -1.739 1.981 0.630 509 HE1 PHE 79 1HE PHE 79 -6.475 3.408 1.179 510 HE2 PHE 79 2HE PHE 79 -2.487 2.964 2.761 511 HZ PHE 79 HZ PHE 79 -4.850 3.743 3.022 512 H TYR 80 H TYR 80 -0.458 3.166 -2.696 513 HA TYR 80 HA TYR 80 -0.520 5.676 -1.144 514 HB3 TYR 80 2HB TYR 80 1.974 5.474 -1.390 515 HD1 TYR 80 2HD TYR 80 0.336 5.532 0.916 516 HD2 TYR 80 1HD TYR 80 2.351 2.180 -0.854 517 HE1 TYR 80 2HE TYR 80 0.007 4.288 2.974 518 HE2 TYR 80 1HE TYR 80 2.017 0.867 1.234 519 HH TYR 80 HH TYR 80 0.070 2.177 3.969 520 H GLU 81 H GLU 81 0.004 4.660 -4.526 521 HA GLU 81 HA GLU 81 1.060 7.134 -5.545 522 HB3 GLU 81 2HB GLU 81 0.088 6.372 -7.695 523 HG3 GLU 81 2HG GLU 81 1.624 4.192 -6.232 524 H GLN 82 H GLN 82 -2.186 6.082 -4.884 525 HA GLN 82 HA GLN 82 -3.371 8.465 -6.086 526 HB3 GLN 82 2HB GLN 82 -5.494 7.511 -5.121 527 HG3 GLN 82 2HG GLN 82 -5.654 5.703 -6.725 528 HE21 GLN 82 1HE2 GLN 82 -2.879 6.122 -8.586 529 HE22 GLN 82 2HE2 GLN 82 -3.387 7.545 -9.442 530 H GLU 83 H GLU 83 -1.939 8.077 -3.168 531 HA GLU 83 HA GLU 83 -3.386 10.257 -1.795 532 HB3 GLU 83 2HB GLU 83 -1.676 10.117 -0.098 533 HG3 GLU 83 2HG GLU 83 -1.459 7.738 0.418 534 H GLN 84 H GLN 84 -1.013 10.004 -4.252 535 HA GLN 84 HA GLN 84 0.379 12.485 -3.487 536 HB3 GLN 84 2HB GLN 84 1.816 11.838 -5.511 537 HG3 GLN 84 2HG GLN 84 1.448 10.072 -3.054 538 HE21 GLN 84 1HE2 GLN 84 1.891 7.986 -3.611 539 HE22 GLN 84 2HE2 GLN 84 3.212 7.509 -4.675 540 H GLN 85 H GLN 85 -1.885 11.416 -6.014 541 HA GLN 85 HA GLN 85 -1.904 13.864 -7.508 542 HB3 GLN 85 2HB GLN 85 -2.996 12.166 -8.585 543 HG3 GLN 85 2HG GLN 85 -3.771 11.034 -6.111 544 HE21 GLN 85 1HE2 GLN 85 -5.674 10.401 -5.181 545 HE22 GLN 85 2HE2 GLN 85 -7.252 10.978 -5.705 546 H ARG 86 H ARG 86 -4.103 12.788 -4.855 547 HA ARG 86 HA ARG 86 -5.498 15.141 -4.592 548 HB3 ARG 86 2HB ARG 86 -6.208 13.156 -3.414 549 HG3 ARG 86 2HG ARG 86 -3.873 13.663 -1.520 550 HD3 ARG 86 2HD ARG 86 -5.589 11.236 -1.334 551 HE ARG 86 HE ARG 86 -3.510 12.275 0.194 552 HH11 ARG 86 1HH1 ARG 86 -6.708 10.931 0.735 553 HH12 ARG 86 2HH1 ARG 86 -6.660 11.000 2.472 554 HH21 ARG 86 1HH2 ARG 86 -3.280 12.199 2.497 555 HH22 ARG 86 2HH2 ARG 86 -4.573 11.602 3.497 556 H ASN 87 H ASN 87 -2.218 14.566 -3.079 557 HA ASN 87 HA ASN 87 -1.916 17.345 -3.010 558 HB3 ASN 87 2HB ASN 87 -2.948 17.381 -0.910 559 HD21 ASN 87 1HD2 ASN 87 -1.080 14.287 -0.937 560 HD22 ASN 87 2HD2 ASN 87 -1.654 13.781 0.638 561 H GLU 88 H GLU 88 0.353 17.785 -3.013 562 HA GLU 88 HA GLU 88 2.242 15.593 -3.323 563 HB3 GLU 88 2HB GLU 88 3.933 17.376 -3.387 564 HG3 GLU 88 2HG GLU 88 1.529 18.293 -5.002 565 H ASN 89 H ASN 89 0.796 16.877 -0.633 566 HA ASN 89 HA ASN 89 3.059 17.176 1.101 567 HB3 ASN 89 2HB ASN 89 1.571 17.956 2.709 568 HD21 ASN 89 1HD2 ASN 89 2.357 19.223 0.138 569 HD22 ASN 89 2HD2 ASN 89 1.040 20.313 -0.260 570 H ASN 90 H ASN 90 2.140 14.298 0.041 571 HA ASN 90 HA ASN 90 2.216 12.992 2.717 572 HB3 ASN 90 2HB ASN 90 1.085 11.042 1.177 573 HD21 ASN 90 1HD2 ASN 90 0.929 12.321 3.863 574 HD22 ASN 90 2HD2 ASN 90 -0.744 12.470 4.187 575 HA PRO 91 HA PRO 91 6.074 11.967 0.497 576 HB3 PRO 91 2HB PRO 91 7.253 13.576 1.647 577 HG3 PRO 91 2HG PRO 91 6.517 14.284 3.825 578 HD3 PRO 91 2HD PRO 91 4.749 14.565 2.364 579 H THR 92 H THR 92 4.570 10.862 3.622 580 HA THR 92 HA THR 92 5.916 8.428 3.888 581 HB THR 92 HB THR 92 3.051 9.170 4.548 582 HG1 THR 92 1HG THR 92 3.901 9.975 6.310 583 HG21 THR 92 3HG2 THR 92 4.746 6.840 5.553 584 HG22 THR 92 1HG2 THR 92 3.245 6.722 4.624 585 HG23 THR 92 2HG2 THR 92 3.210 7.368 6.273 586 H ALA 93 H ALA 93 2.827 9.010 2.131 587 HA ALA 93 HA ALA 93 2.728 6.405 0.993 588 HB1 ALA 93 1HB ALA 93 1.582 9.062 -0.035 589 HB2 ALA 93 2HB ALA 93 1.019 7.444 -0.461 590 HB3 ALA 93 3HB ALA 93 0.807 8.042 1.191 591 H LYS 94 H LYS 94 4.068 9.506 -0.257 592 HA LYS 94 HA LYS 94 4.744 8.693 -2.825 593 HB3 LYS 94 2HB LYS 94 6.273 10.590 -1.032 594 HG3 LYS 94 2HG LYS 94 6.073 10.348 -4.021 595 HD3 LYS 94 2HD LYS 94 5.140 12.503 -3.769 596 HE3 LYS 94 2HE LYS 94 7.164 12.974 -1.554 597 HZ1 LYS 94 3HZ LYS 94 5.561 14.979 -3.024 598 HZ2 LYS 94 1HZ LYS 94 7.165 15.024 -2.750 599 HZ3 LYS 94 2HZ LYS 94 6.149 15.225 -1.491 600 H TYR 95 H TYR 95 6.982 8.486 0.009 601 HA TYR 95 HA TYR 95 8.945 7.053 -1.538 602 HB3 TYR 95 2HB TYR 95 9.874 6.436 0.705 603 HD1 TYR 95 1HD TYR 95 11.521 7.716 -0.805 604 HD2 TYR 95 2HD TYR 95 8.720 9.642 1.823 605 HE1 TYR 95 1HE TYR 95 12.805 9.796 -0.980 606 HE2 TYR 95 2HE TYR 95 9.947 11.771 1.600 607 HH TYR 95 HH TYR 95 11.610 12.880 0.492 608 H ARG 96 H ARG 96 6.227 5.827 0.596 609 HA ARG 96 HA ARG 96 6.932 3.093 0.375 610 HB3 ARG 96 2HB ARG 96 4.475 2.643 0.669 611 HG3 ARG 96 2HG ARG 96 5.474 4.733 2.591 612 HD3 ARG 96 2HD ARG 96 3.616 2.386 2.962 613 HE ARG 96 HE ARG 96 5.226 3.321 4.887 614 HH11 ARG 96 1HH1 ARG 96 1.717 3.537 4.455 615 HH12 ARG 96 2HH1 ARG 96 1.385 3.764 6.123 616 HH21 ARG 96 1HH2 ARG 96 4.815 3.578 7.031 617 HH22 ARG 96 2HH2 ARG 96 3.155 3.788 7.640 618 H ALA 97 H ALA 97 4.866 5.048 -1.866 619 HA ALA 97 HA ALA 97 4.186 2.900 -3.605 620 HB1 ALA 97 1HB ALA 97 4.479 5.908 -4.073 621 HB2 ALA 97 2HB ALA 97 3.677 4.761 -5.171 622 HB3 ALA 97 3HB ALA 97 2.999 5.079 -3.581 623 H ARG 98 H ARG 98 6.803 5.391 -3.744 624 HA ARG 98 HA ARG 98 8.016 4.430 -6.117 625 HB3 ARG 98 2HB ARG 98 10.070 5.680 -5.061 626 HG3 ARG 98 2HG ARG 98 7.384 6.930 -5.689 627 HD3 ARG 98 2HD ARG 98 9.944 8.246 -4.804 628 HE ARG 98 HE ARG 98 9.812 9.717 -6.441 629 HH11 ARG 98 1HH1 ARG 98 6.332 8.707 -6.070 630 HH12 ARG 98 2HH1 ARG 98 5.802 10.046 -6.994 631 HH21 ARG 98 1HH2 ARG 98 9.043 11.181 -7.859 632 HH22 ARG 98 2HH2 ARG 98 7.356 11.413 -8.193 633 H LEU 99 H LEU 99 8.362 3.309 -2.795 634 HA LEU 99 HA LEU 99 10.596 1.537 -3.313 635 HB3 LEU 99 2HB LEU 99 8.628 1.807 -1.023 636 HG LEU 99 HG LEU 99 9.418 -0.361 -0.614 637 HD11 LEU 99 1HD1 LEU 99 12.146 0.559 -1.588 638 HD12 LEU 99 2HD1 LEU 99 11.134 -0.691 -2.316 639 HD13 LEU 99 3HD1 LEU 99 11.863 -0.972 -0.743 640 HD21 LEU 99 3HD2 LEU 99 11.005 -0.048 1.248 641 HD22 LEU 99 1HD2 LEU 99 9.797 1.265 1.244 642 HD23 LEU 99 2HD2 LEU 99 11.443 1.556 0.645 643 H MET 100 H MET 100 7.065 0.956 -2.794 644 HA MET 100 HA MET 100 6.977 -1.759 -3.400 645 HB3 MET 100 2HB MET 100 4.720 -1.316 -4.288 646 HG3 MET 100 2HG MET 100 3.926 0.121 -2.159 647 HE1 MET 100 3HE MET 100 5.168 -2.056 0.204 648 HE2 MET 100 1HE MET 100 3.521 -1.376 0.333 649 HE3 MET 100 2HE MET 100 3.760 -3.142 0.308 650 H LYS 101 H LYS 101 6.856 1.002 -5.682 651 HA LYS 101 HA LYS 101 6.661 -0.222 -8.160 652 HB3 LYS 101 2HB LYS 101 8.383 2.158 -7.365 653 HG3 LYS 101 2HG LYS 101 7.755 1.096 -10.022 654 HD3 LYS 101 2HD LYS 101 6.722 3.815 -9.152 655 HE3 LYS 101 2HE LYS 101 7.060 2.819 -11.980 656 HZ1 LYS 101 3HZ LYS 101 5.026 4.084 -11.533 657 HZ2 LYS 101 1HZ LYS 101 6.013 4.902 -12.535 658 HZ3 LYS 101 2HZ LYS 101 5.924 5.340 -10.951 659 H LYS 102 H LYS 102 9.706 0.645 -6.596 660 HA LYS 102 HA LYS 102 11.378 -0.777 -8.418 661 HB3 LYS 102 2HB LYS 102 12.511 -0.574 -5.705 662 HG3 LYS 102 2HG LYS 102 13.045 0.697 -8.436 663 HD3 LYS 102 2HD LYS 102 14.481 0.973 -5.789 664 HE3 LYS 102 2HE LYS 102 16.052 0.027 -7.435 665 HZ1 LYS 102 3HZ LYS 102 16.780 1.605 -9.174 666 HZ2 LYS 102 1HZ LYS 102 15.323 2.358 -9.093 667 HZ3 LYS 102 2HZ LYS 102 15.401 0.782 -9.532 668 H ILE 103 H ILE 103 9.584 -2.018 -5.648 669 HA ILE 103 HA ILE 103 11.155 -4.473 -5.535 670 HB ILE 103 HB ILE 103 8.560 -3.496 -4.276 671 HG13 ILE 103 2HG1 ILE 103 10.905 -2.689 -3.575 672 HG21 ILE 103 1HG2 ILE 103 8.383 -5.505 -2.947 673 HG22 ILE 103 2HG2 ILE 103 8.351 -5.976 -4.641 674 HG23 ILE 103 3HG2 ILE 103 9.840 -6.183 -3.687 675 HD11 ILE 103 3HD1 ILE 103 9.334 -4.134 -1.423 676 HD12 ILE 103 1HD1 ILE 103 10.597 -2.930 -1.177 677 HD13 ILE 103 2HD1 ILE 103 9.095 -2.451 -1.981 678 H ALA 104 H ALA 104 7.966 -3.490 -6.929 679 HA ALA 104 HA ALA 104 7.419 -6.027 -8.128 680 HB1 ALA 104 1HB ALA 104 5.748 -4.230 -7.641 681 HB2 ALA 104 2HB ALA 104 6.472 -3.250 -8.942 682 HB3 ALA 104 3HB ALA 104 5.696 -4.817 -9.308 683 H ASP 105 H ASP 105 9.408 -3.355 -9.092 684 HA ASP 105 HA ASP 105 9.678 -3.740 -11.920 685 HB3 ASP 105 2HB ASP 105 11.537 -2.570 -9.813 686 H LEU 106 H LEU 106 11.465 -4.884 -9.097 687 HA LEU 106 HA LEU 106 13.435 -6.420 -10.624 688 HB3 LEU 106 2HB LEU 106 14.249 -6.967 -8.321 689 HG LEU 106 HG LEU 106 13.790 -4.010 -8.789 690 HD11 LEU 106 1HD1 LEU 106 15.437 -5.398 -6.616 691 HD12 LEU 106 2HD1 LEU 106 13.949 -4.467 -6.360 692 HD13 LEU 106 3HD1 LEU 106 15.392 -3.648 -6.964 693 HD21 LEU 106 3HD2 LEU 106 16.165 -3.988 -9.257 694 HD22 LEU 106 1HD2 LEU 106 15.330 -5.099 -10.341 695 HD23 LEU 106 2HD2 LEU 106 16.288 -5.748 -8.970 696 H TRP 107 H TRP 107 10.267 -7.140 -10.220 697 HA TRP 107 HA TRP 107 10.488 -9.527 -8.688 698 HB3 TRP 107 2HB TRP 107 8.049 -8.527 -10.164 699 HD1 TRP 107 HD TRP 107 7.041 -11.070 -9.876 700 HE1 TRP 107 1HE TRP 107 5.973 -12.225 -7.897 701 HE3 TRP 107 3HE TRP 107 8.527 -7.852 -6.222 702 HZ2 TRP 107 2HZ TRP 107 5.763 -11.825 -5.069 703 HZ3 TRP 107 3HZ TRP 107 7.831 -8.244 -3.843 704 HH2 TRP 107 HH TRP 107 6.407 -10.212 -3.272 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -26.236 -2.688 19.137 2 HA2 GLY 1 1HA GLY 1 -25.229 -3.778 21.714 3 HA3 GLY 1 2HA GLY 1 -25.589 -4.740 20.259 4 H THR 2 H THR 2 -23.738 -5.328 19.274 5 HA THR 2 HA THR 2 -21.820 -3.290 18.428 6 HB THR 2 HB THR 2 -20.799 -5.908 19.571 7 HG1 THR 2 1HG THR 2 -21.759 -5.045 21.313 8 HG21 THR 2 3HG2 THR 2 -19.534 -3.133 19.326 9 HG22 THR 2 1HG2 THR 2 -19.251 -4.468 18.194 10 HG23 THR 2 2HG2 THR 2 -18.731 -4.632 19.865 11 H ASP 3 H ASP 3 -24.096 -5.166 17.351 12 HA ASP 3 HA ASP 3 -22.519 -6.899 15.495 13 HB3 ASP 3 2HB ASP 3 -24.597 -8.333 15.530 14 H PHE 4 H PHE 4 -23.290 -6.984 13.331 15 HA PHE 4 HA PHE 4 -25.562 -5.372 12.505 16 HB3 PHE 4 2HB PHE 4 -23.036 -4.404 11.225 17 HD1 PHE 4 2HD PHE 4 -25.344 -2.815 13.686 18 HD2 PHE 4 1HD PHE 4 -24.268 -3.200 9.526 19 HE1 PHE 4 2HE PHE 4 -26.846 -0.912 13.122 20 HE2 PHE 4 1HE PHE 4 -25.767 -1.296 8.975 21 HZ PHE 4 HZ PHE 4 -27.090 -0.186 10.767 22 H GLY 5 H GLY 5 -26.417 -7.077 11.309 23 HA2 GLY 5 1HA GLY 5 -24.786 -8.701 9.548 24 HA3 GLY 5 2HA GLY 5 -26.548 -8.737 9.742 25 H THR 6 H THR 6 -25.442 -8.827 7.311 26 HA THR 6 HA THR 6 -25.800 -6.172 5.976 27 HB THR 6 HB THR 6 -23.827 -6.952 4.541 28 HG1 THR 6 1HG THR 6 -22.542 -8.447 5.339 29 HG21 THR 6 3HG2 THR 6 -23.304 -6.245 7.458 30 HG22 THR 6 1HG2 THR 6 -23.815 -5.088 6.215 31 HG23 THR 6 2HG2 THR 6 -22.258 -5.906 6.058 32 H THR 7 H THR 7 -27.826 -7.956 6.181 33 HA THR 7 HA THR 7 -27.955 -9.806 4.017 34 HB THR 7 HB THR 7 -29.005 -9.911 6.291 35 HG1 THR 7 1HG THR 7 -30.604 -10.327 4.027 36 HG21 THR 7 3HG2 THR 7 -31.141 -8.067 5.165 37 HG22 THR 7 1HG2 THR 7 -29.982 -7.655 6.450 38 HG23 THR 7 2HG2 THR 7 -31.179 -8.934 6.713 39 H ASN 8 H ASN 8 -27.764 -6.602 3.552 40 HA ASN 8 HA ASN 8 -29.376 -6.652 1.104 41 HB3 ASN 8 2HB ASN 8 -29.638 -4.407 3.158 42 HD21 ASN 8 1HD2 ASN 8 -28.943 -3.183 0.999 43 HD22 ASN 8 2HD2 ASN 8 -30.280 -2.749 -0.063 44 H ASN 9 H ASN 9 -27.016 -7.071 0.604 45 HA ASN 9 HA ASN 9 -25.853 -4.472 -0.281 46 HB3 ASN 9 2HB ASN 9 -24.283 -6.859 0.773 47 HD21 ASN 9 1HD2 ASN 9 -22.872 -3.651 0.990 48 HD22 ASN 9 2HD2 ASN 9 -21.604 -4.027 -0.122 49 H PHE 10 H PHE 10 -27.068 -4.835 -2.263 50 HA PHE 10 HA PHE 10 -25.772 -6.723 -4.081 51 HB3 PHE 10 2HB PHE 10 -28.742 -7.131 -3.608 52 HD1 PHE 10 1HD PHE 10 -25.596 -9.129 -4.156 53 HD2 PHE 10 2HD PHE 10 -29.532 -8.151 -5.627 54 HE1 PHE 10 1HE PHE 10 -25.320 -10.777 -5.996 55 HE2 PHE 10 2HE PHE 10 -29.283 -9.853 -7.413 56 HZ PHE 10 HZ PHE 10 -27.158 -11.140 -7.613 57 H VAL 11 H VAL 11 -25.658 -4.032 -4.402 58 HA VAL 11 HA VAL 11 -26.635 -3.945 -7.067 59 HB VAL 11 HB VAL 11 -28.648 -3.072 -5.990 60 HG11 VAL 11 1HG1 VAL 11 -27.870 -2.195 -3.913 61 HG12 VAL 11 2HG1 VAL 11 -26.909 -0.943 -4.699 62 HG13 VAL 11 3HG1 VAL 11 -28.680 -0.901 -4.793 63 HG21 VAL 11 3HG2 VAL 11 -28.054 -2.189 -8.191 64 HG22 VAL 11 1HG2 VAL 11 -29.009 -1.071 -7.216 65 HG23 VAL 11 2HG2 VAL 11 -27.274 -0.788 -7.419 66 H SER 12 H SER 12 -25.488 -2.121 -8.242 67 HA SER 12 HA SER 12 -23.080 -1.138 -6.801 68 HB3 SER 12 2HB SER 12 -21.695 -1.810 -8.613 69 HG SER 12 HG SER 12 -21.805 -3.824 -7.966 70 HA PRO 13 HA PRO 13 -25.506 2.086 -9.176 71 HB3 PRO 13 2HB PRO 13 -27.134 2.057 -7.472 72 HG3 PRO 13 2HG PRO 13 -26.525 1.962 -5.160 73 HD3 PRO 13 2HD PRO 13 -25.684 0.023 -6.120 74 H ASN 14 H ASN 14 -25.324 4.641 -8.840 75 HA ASN 14 HA ASN 14 -22.751 5.569 -9.369 76 HB3 ASN 14 2HB ASN 14 -23.835 7.843 -8.771 77 HD21 ASN 14 1HD2 ASN 14 -26.462 7.830 -10.458 78 HD22 ASN 14 2HD2 ASN 14 -25.893 7.419 -12.056 79 H LEU 15 H LEU 15 -21.272 5.195 -8.034 80 HA LEU 15 HA LEU 15 -21.305 6.080 -5.182 81 HB3 LEU 15 2HB LEU 15 -18.953 4.960 -6.756 82 HG LEU 15 HG LEU 15 -18.866 6.201 -4.359 83 HD11 LEU 15 1HD1 LEU 15 -19.038 4.573 -2.513 84 HD12 LEU 15 2HD1 LEU 15 -19.669 3.356 -3.626 85 HD13 LEU 15 3HD1 LEU 15 -20.601 4.832 -3.298 86 HD21 LEU 15 3HD2 LEU 15 -16.938 5.187 -5.486 87 HD22 LEU 15 1HD2 LEU 15 -17.417 3.579 -4.882 88 HD23 LEU 15 2HD2 LEU 15 -16.933 4.865 -3.751 89 H GLN 16 H GLN 16 -21.441 8.324 -5.291 90 HA GLN 16 HA GLN 16 -19.072 9.660 -6.486 91 HB3 GLN 16 2HB GLN 16 -20.771 10.356 -7.932 92 HG3 GLN 16 2HG GLN 16 -22.533 10.796 -5.485 93 HE21 GLN 16 1HE2 GLN 16 -22.289 13.210 -6.094 94 HE22 GLN 16 2HE2 GLN 16 -23.448 13.783 -7.285 95 H LEU 17 H LEU 17 -18.188 9.040 -4.443 96 HA LEU 17 HA LEU 17 -18.256 11.262 -2.675 97 HB3 LEU 17 2HB LEU 17 -19.950 10.515 -1.478 98 HG LEU 17 HG LEU 17 -20.362 8.421 -0.379 99 HD11 LEU 17 1HD1 LEU 17 -20.450 7.787 -3.324 100 HD12 LEU 17 2HD1 LEU 17 -21.552 8.947 -2.548 101 HD13 LEU 17 3HD1 LEU 17 -21.534 7.249 -2.050 102 HD21 LEU 17 3HD2 LEU 17 -18.147 7.372 -0.466 103 HD22 LEU 17 1HD2 LEU 17 -18.363 7.059 -2.201 104 HD23 LEU 17 2HD2 LEU 17 -19.444 6.299 -1.005 105 H LYS 18 H LYS 18 -16.263 11.228 -3.703 106 HA LYS 18 HA LYS 18 -14.309 9.170 -2.875 107 HB3 LYS 18 2HB LYS 18 -12.625 10.295 -4.034 108 HG3 LYS 18 2HG LYS 18 -14.740 10.756 -6.071 109 HD3 LYS 18 2HD LYS 18 -12.247 10.152 -6.461 110 HE3 LYS 18 2HE LYS 18 -13.399 7.329 -6.118 111 HZ1 LYS 18 3HZ LYS 18 -11.038 6.766 -6.144 112 HZ2 LYS 18 1HZ LYS 18 -10.626 8.322 -6.343 113 HZ3 LYS 18 2HZ LYS 18 -11.424 7.506 -7.538 114 H GLN 19 H GLN 19 -13.704 9.137 -0.837 115 HA GLN 19 HA GLN 19 -13.615 11.668 0.705 116 HB3 GLN 19 2HB GLN 19 -15.485 10.035 1.105 117 HG3 GLN 19 2HG GLN 19 -13.410 8.368 2.531 118 HE21 GLN 19 1HE2 GLN 19 -15.359 6.463 0.581 119 HE22 GLN 19 2HE2 GLN 19 -16.385 5.888 1.851 120 H ASN 20 H ASN 20 -12.188 11.167 2.820 121 HA ASN 20 HA ASN 20 -9.476 10.605 1.754 122 HB3 ASN 20 2HB ASN 20 -10.196 11.619 4.495 123 HD21 ASN 20 1HD2 ASN 20 -7.716 9.852 3.436 124 HD22 ASN 20 2HD2 ASN 20 -6.387 10.941 3.716 125 H VAL 21 H VAL 21 -10.074 8.307 1.564 126 HA VAL 21 HA VAL 21 -9.675 6.799 4.103 127 HB VAL 21 HB VAL 21 -12.020 6.888 3.364 128 HG11 VAL 21 1HG1 VAL 21 -11.663 7.079 0.908 129 HG12 VAL 21 2HG1 VAL 21 -11.130 5.390 0.865 130 HG13 VAL 21 3HG1 VAL 21 -12.791 5.792 1.341 131 HG21 VAL 21 3HG2 VAL 21 -10.714 4.178 3.317 132 HG22 VAL 21 1HG2 VAL 21 -11.416 5.041 4.684 133 HG23 VAL 21 2HG2 VAL 21 -12.476 4.445 3.403 134 H LEU 22 H LEU 22 -8.428 4.927 3.906 135 HA LEU 22 HA LEU 22 -6.443 4.993 1.822 136 HB3 LEU 22 2HB LEU 22 -5.742 2.744 3.006 137 HG LEU 22 HG LEU 22 -5.196 5.527 3.399 138 HD11 LEU 22 1HD1 LEU 22 -6.510 5.421 5.392 139 HD12 LEU 22 2HD1 LEU 22 -4.784 5.658 5.764 140 HD13 LEU 22 3HD1 LEU 22 -5.512 4.037 5.985 141 HD21 LEU 22 3HD2 LEU 22 -3.753 3.155 4.618 142 HD22 LEU 22 1HD2 LEU 22 -3.095 4.775 4.400 143 HD23 LEU 22 2HD2 LEU 22 -3.516 3.826 2.962 144 HA PRO 23 HA PRO 23 -7.952 1.641 -0.961 145 HB3 PRO 23 2HB PRO 23 -6.077 1.705 -2.219 146 HG3 PRO 23 2HG PRO 23 -4.041 2.478 -1.325 147 HD3 PRO 23 2HD PRO 23 -5.489 4.069 -0.397 148 HA PRO 24 HA PRO 24 -8.693 -1.975 1.540 149 HB3 PRO 24 2HB PRO 24 -9.986 -2.739 -0.244 150 HG3 PRO 24 2HG PRO 24 -9.157 -2.662 -2.492 151 HD3 PRO 24 2HD PRO 24 -9.017 -0.452 -1.750 152 H THR 25 H THR 25 -7.722 -4.524 1.753 153 HA THR 25 HA THR 25 -4.841 -4.519 1.484 154 HB THR 25 HB THR 25 -5.237 -5.127 4.260 155 HG1 THR 25 1HG THR 25 -5.944 -3.110 5.046 156 HG21 THR 25 3HG2 THR 25 -3.851 -2.933 4.523 157 HG22 THR 25 1HG2 THR 25 -3.845 -2.902 2.750 158 HG23 THR 25 2HG2 THR 25 -3.141 -4.264 3.619 159 HA PRO 26 HA PRO 26 -5.826 -8.743 1.027 160 HB3 PRO 26 2HB PRO 26 -3.706 -9.366 0.488 161 HG3 PRO 26 2HG PRO 26 -1.913 -8.102 1.240 162 HD3 PRO 26 2HD PRO 26 -3.327 -6.299 0.846 163 H LYS 27 H LYS 27 -6.545 -10.585 2.123 164 HA LYS 27 HA LYS 27 -7.605 -10.058 4.772 165 HB3 LYS 27 2HB LYS 27 -9.147 -10.896 3.138 166 HG3 LYS 27 2HG LYS 27 -7.217 -13.239 2.867 167 HD3 LYS 27 2HD LYS 27 -10.166 -12.961 2.172 168 HE3 LYS 27 2HE LYS 27 -8.048 -14.614 0.764 169 HZ1 LYS 27 3HZ LYS 27 -9.771 -16.114 1.293 170 HZ2 LYS 27 1HZ LYS 27 -9.996 -15.712 -0.279 171 HZ3 LYS 27 2HZ LYS 27 -10.963 -15.067 0.867 172 H ASN 28 H ASN 28 -4.920 -10.269 4.858 173 HA ASN 28 HA ASN 28 -4.464 -12.663 6.470 174 HB3 ASN 28 2HB ASN 28 -1.978 -12.116 5.905 175 HD21 ASN 28 1HD2 ASN 28 -4.301 -12.588 3.153 176 HD22 ASN 28 2HD2 ASN 28 -4.281 -14.305 3.285 177 H ILE 29 H ILE 29 -3.505 -9.159 5.771 178 HA ILE 29 HA ILE 29 -3.663 -8.662 8.625 179 HB ILE 29 HB ILE 29 -1.429 -8.082 8.902 180 HG13 ILE 29 2HG1 ILE 29 0.347 -8.097 7.323 181 HG21 ILE 29 1HG2 ILE 29 -1.740 -10.440 9.188 182 HG22 ILE 29 2HG2 ILE 29 -1.346 -10.723 7.487 183 HG23 ILE 29 3HG2 ILE 29 -0.107 -10.088 8.559 184 HD11 ILE 29 3HD1 ILE 29 -1.548 -8.757 5.039 185 HD12 ILE 29 1HD1 ILE 29 0.218 -8.492 5.003 186 HD13 ILE 29 2HD1 ILE 29 -0.410 -9.937 5.741 187 HA PRO 30 HA PRO 30 -4.875 -4.705 7.047 188 HB3 PRO 30 2HB PRO 30 -5.819 -4.543 9.216 189 HG3 PRO 30 2HG PRO 30 -4.528 -5.047 11.170 190 HD3 PRO 30 2HD PRO 30 -4.509 -7.021 9.830 191 H LEU 31 H LEU 31 -4.107 -2.301 6.979 192 HA LEU 31 HA LEU 31 -1.702 -1.862 5.832 193 HB3 LEU 31 2HB LEU 31 -3.358 0.012 7.533 194 HG LEU 31 HG LEU 31 -2.535 1.775 5.971 195 HD11 LEU 31 1HD1 LEU 31 -1.820 1.725 8.356 196 HD12 LEU 31 2HD1 LEU 31 -0.731 2.566 7.260 197 HD13 LEU 31 3HD1 LEU 31 -0.295 0.964 7.850 198 HD21 LEU 31 3HD2 LEU 31 0.006 0.167 5.583 199 HD22 LEU 31 1HD2 LEU 31 -0.508 1.690 4.824 200 HD23 LEU 31 2HD2 LEU 31 -1.318 0.167 4.410 201 HA PRO 32 HA PRO 32 0.766 -0.695 9.716 202 HB3 PRO 32 2HB PRO 32 -0.505 0.211 11.373 203 HG3 PRO 32 2HG PRO 32 -2.661 -0.658 11.932 204 HD3 PRO 32 2HD PRO 32 -2.636 -0.098 9.629 205 H ALA 33 H ALA 33 -0.529 -3.696 8.932 206 HA ALA 33 HA ALA 33 1.899 -5.088 10.012 207 HB1 ALA 33 1HB ALA 33 0.622 -7.128 9.497 208 HB2 ALA 33 2HB ALA 33 -0.211 -6.126 10.701 209 HB3 ALA 33 3HB ALA 33 -0.759 -6.103 9.021 210 H PHE 34 H PHE 34 -0.185 -4.555 7.192 211 HA PHE 34 HA PHE 34 0.980 -6.211 5.409 212 HB3 PHE 34 2HB PHE 34 -0.561 -3.668 4.893 213 HD1 PHE 34 1HD PHE 34 0.079 -7.132 3.459 214 HD2 PHE 34 2HD PHE 34 -0.652 -2.945 2.638 215 HE1 PHE 34 1HE PHE 34 0.475 -7.505 1.053 216 HE2 PHE 34 2HE PHE 34 -0.328 -3.353 0.243 217 HZ PHE 34 HZ PHE 34 0.274 -5.616 -0.569 218 H GLY 35 H GLY 35 2.351 -3.289 6.450 219 HA2 GLY 35 1HA GLY 35 4.380 -3.418 4.252 220 HA3 GLY 35 2HA GLY 35 4.037 -1.967 5.135 221 H GLN 36 H GLN 36 3.946 -2.603 7.691 222 HA GLN 36 HA GLN 36 6.554 -2.458 8.442 223 HB3 GLN 36 2HB GLN 36 5.842 -2.606 10.716 224 HG3 GLN 36 2HG GLN 36 3.386 -1.596 9.248 225 HE21 GLN 36 1HE2 GLN 36 3.280 0.913 10.097 226 HE22 GLN 36 2HE2 GLN 36 3.126 1.022 11.835 227 H ARG 37 H ARG 37 4.711 -5.525 8.239 228 HA ARG 37 HA ARG 37 7.193 -6.969 9.116 229 HB3 ARG 37 2HB ARG 37 5.715 -8.713 9.988 230 HG3 ARG 37 2HG ARG 37 4.845 -6.042 11.137 231 HD3 ARG 37 2HD ARG 37 4.123 -8.405 12.064 232 HE ARG 37 HE ARG 37 6.879 -8.680 12.407 233 HH11 ARG 37 1HH1 ARG 37 3.896 -9.017 14.326 234 HH12 ARG 37 2HH1 ARG 37 4.556 -10.168 15.415 235 HH21 ARG 37 1HH2 ARG 37 7.870 -9.842 14.048 236 HH22 ARG 37 2HH2 ARG 37 6.936 -10.605 15.316 237 H ILE 38 H ILE 38 6.231 -6.090 6.376 238 HA ILE 38 HA ILE 38 6.140 -8.753 5.027 239 HB ILE 38 HB ILE 38 4.296 -6.404 4.595 240 HG13 ILE 38 2HG1 ILE 38 2.436 -7.649 5.311 241 HG21 ILE 38 1HG2 ILE 38 3.065 -7.857 2.977 242 HG22 ILE 38 2HG2 ILE 38 4.685 -7.422 2.454 243 HG23 ILE 38 3HG2 ILE 38 4.384 -9.051 3.099 244 HD11 ILE 38 3HD1 ILE 38 2.592 -9.785 6.510 245 HD12 ILE 38 1HD1 ILE 38 2.837 -9.884 4.763 246 HD13 ILE 38 2HD1 ILE 38 4.242 -9.987 5.872 247 H ILE 39 H ILE 39 5.792 -5.360 4.024 248 HA ILE 39 HA ILE 39 7.629 -5.509 1.845 249 HB ILE 39 HB ILE 39 6.332 -3.126 3.242 250 HG13 ILE 39 2HG1 ILE 39 4.473 -3.210 1.741 251 HG21 ILE 39 1HG2 ILE 39 7.923 -2.233 1.774 252 HG22 ILE 39 2HG2 ILE 39 7.510 -3.354 0.474 253 HG23 ILE 39 3HG2 ILE 39 6.381 -2.056 0.943 254 HD11 ILE 39 3HD1 ILE 39 5.414 -4.199 -0.320 255 HD12 ILE 39 1HD1 ILE 39 5.592 -5.740 0.562 256 HD13 ILE 39 2HD1 ILE 39 3.983 -5.077 0.249 257 H GLY 40 H GLY 40 8.288 -5.274 5.195 258 HA2 GLY 40 1HA GLY 40 10.257 -4.873 6.306 259 HA3 GLY 40 2HA GLY 40 11.044 -4.767 4.731 260 H TRP 41 H TRP 41 8.522 -2.470 4.939 261 HA TRP 41 HA TRP 41 10.511 -0.378 4.799 262 HB3 TRP 41 2HB TRP 41 8.511 -0.625 3.332 263 HD1 TRP 41 HD TRP 41 7.073 -0.808 6.683 264 HE1 TRP 41 1HE TRP 41 4.635 -0.120 6.782 265 HE3 TRP 41 3HE TRP 41 6.577 1.075 1.939 266 HZ2 TRP 41 2HZ TRP 41 2.685 1.097 5.034 267 HZ3 TRP 41 3HZ TRP 41 4.377 1.816 1.143 268 HH2 TRP 41 HH TRP 41 2.430 1.871 2.690 269 H GLY 42 H GLY 42 9.918 -1.665 7.544 270 HA2 GLY 42 1HA GLY 42 9.451 -1.136 9.689 271 HA3 GLY 42 2HA GLY 42 10.391 0.319 9.348 272 H THR 43 H THR 43 9.405 2.131 9.656 273 HA THR 43 HA THR 43 7.076 2.923 8.413 274 HB THR 43 HB THR 43 5.809 1.563 10.073 275 HG1 THR 43 1HG THR 43 4.450 3.351 10.707 276 HG21 THR 43 3HG2 THR 43 5.538 2.187 12.343 277 HG22 THR 43 1HG2 THR 43 6.576 3.614 12.144 278 HG23 THR 43 2HG2 THR 43 7.273 1.973 12.080 279 H GLY 44 H GLY 44 7.571 5.086 8.076 280 HA2 GLY 44 1HA GLY 44 7.727 7.239 9.465 281 HA3 GLY 44 2HA GLY 44 9.135 6.525 10.212 282 H ALA 45 H ALA 45 8.552 6.113 6.787 283 HA ALA 45 HA ALA 45 9.465 6.990 4.880 284 HB1 ALA 45 1HB ALA 45 9.273 9.334 6.015 285 HB2 ALA 45 2HB ALA 45 10.974 9.141 6.431 286 HB3 ALA 45 3HB ALA 45 10.488 9.133 4.748 287 H GLU 46 H GLU 46 11.808 7.218 7.569 288 HA GLU 46 HA GLU 46 14.128 6.517 6.190 289 HB3 GLU 46 2HB GLU 46 14.308 5.286 8.661 290 HG3 GLU 46 2HG GLU 46 14.617 8.292 8.517 291 H GLY 47 H GLY 47 11.810 4.393 7.875 292 HA2 GLY 47 1HA GLY 47 12.919 1.916 7.418 293 HA3 GLY 47 2HA GLY 47 11.210 2.218 7.504 294 H ALA 48 H ALA 48 10.901 3.839 5.191 295 HA ALA 48 HA ALA 48 10.907 1.819 3.056 296 HB1 ALA 48 1HB ALA 48 8.842 3.154 3.482 297 HB2 ALA 48 2HB ALA 48 9.753 4.650 3.174 298 HB3 ALA 48 3HB ALA 48 9.489 3.475 1.871 299 H ARG 49 H ARG 49 13.120 4.306 4.032 300 HA ARG 49 HA ARG 49 14.137 4.678 1.233 301 HB3 ARG 49 2HB ARG 49 15.038 5.638 4.010 302 HG3 ARG 49 2HG ARG 49 16.014 6.854 1.407 303 HD3 ARG 49 2HD ARG 49 16.945 7.026 4.312 304 HE ARG 49 HE ARG 49 17.825 8.483 1.870 305 HH11 ARG 49 1HH1 ARG 49 18.265 8.083 5.404 306 HH12 ARG 49 2HH1 ARG 49 19.359 9.390 5.537 307 HH21 ARG 49 1HH2 ARG 49 19.432 10.040 2.022 308 HH22 ARG 49 2HH2 ARG 49 20.221 10.359 3.533 309 H GLN 50 H GLN 50 15.112 3.323 4.398 310 HA GLN 50 HA GLN 50 17.507 2.176 3.372 311 HB3 GLN 50 2HB GLN 50 17.362 0.834 5.585 312 HG3 GLN 50 2HG GLN 50 17.486 3.767 5.371 313 HE21 GLN 50 1HE2 GLN 50 17.305 5.271 7.028 314 HE22 GLN 50 2HE2 GLN 50 16.400 4.996 8.496 315 H ARG 51 H ARG 51 14.132 1.024 3.406 316 HA ARG 51 HA ARG 51 15.150 -1.261 1.805 317 HB3 ARG 51 2HB ARG 51 12.649 -2.067 2.164 318 HG3 ARG 51 2HG ARG 51 14.739 -3.335 2.627 319 HD3 ARG 51 2HD ARG 51 15.710 -1.816 4.406 320 HE ARG 51 HE ARG 51 13.249 -2.615 5.735 321 HH11 ARG 51 1HH1 ARG 51 16.540 -1.470 6.472 322 HH12 ARG 51 2HH1 ARG 51 16.035 -0.534 7.815 323 HH21 ARG 51 1HH2 ARG 51 12.643 -1.602 7.583 324 HH22 ARG 51 2HH2 ARG 51 13.717 -0.572 8.498 325 H LEU 52 H LEU 52 15.410 0.654 0.197 326 HA LEU 52 HA LEU 52 13.216 0.207 -1.664 327 HB3 LEU 52 2HB LEU 52 14.046 2.921 -0.648 328 HG LEU 52 HG LEU 52 14.350 3.111 -3.112 329 HD11 LEU 52 1HD1 LEU 52 12.719 1.322 -3.780 330 HD12 LEU 52 2HD1 LEU 52 12.515 2.861 -4.646 331 HD13 LEU 52 3HD1 LEU 52 11.431 2.442 -3.305 332 HD21 LEU 52 3HD2 LEU 52 12.862 5.018 -3.430 333 HD22 LEU 52 1HD2 LEU 52 13.641 5.011 -1.843 334 HD23 LEU 52 2HD2 LEU 52 11.927 4.524 -1.984 335 H GLU 53 H GLU 53 16.190 2.204 -1.323 336 HA GLU 53 HA GLU 53 16.672 1.932 -4.106 337 HB3 GLU 53 2HB GLU 53 18.473 3.394 -3.797 338 HG3 GLU 53 2HG GLU 53 17.033 4.038 -1.193 339 H ASN 54 H ASN 54 17.231 -0.282 -1.813 340 HA ASN 54 HA ASN 54 19.426 -1.653 -3.184 341 HB3 ASN 54 2HB ASN 54 20.464 -0.532 -1.391 342 HD21 ASN 54 1HD2 ASN 54 17.243 -1.713 -0.049 343 HD22 ASN 54 2HD2 ASN 54 17.414 -0.584 1.273 344 H ILE 55 H ILE 55 16.687 -2.088 -3.505 345 HA ILE 55 HA ILE 55 15.755 -4.317 -1.948 346 HB ILE 55 HB ILE 55 14.456 -2.477 -3.167 347 HG13 ILE 55 2HG1 ILE 55 13.658 -4.909 -2.287 348 HG21 ILE 55 1HG2 ILE 55 13.857 -2.825 -5.491 349 HG22 ILE 55 2HG2 ILE 55 15.623 -2.733 -5.370 350 HG23 ILE 55 3HG2 ILE 55 14.823 -4.303 -5.576 351 HD11 ILE 55 3HD1 ILE 55 12.440 -2.829 -2.023 352 HD12 ILE 55 1HD1 ILE 55 11.954 -2.842 -3.723 353 HD13 ILE 55 2HD1 ILE 55 11.356 -4.106 -2.620 354 H GLN 56 H GLN 56 15.098 -6.410 -3.106 355 HA GLN 56 HA GLN 56 17.097 -7.353 -5.022 356 HB3 GLN 56 2HB GLN 56 17.605 -9.209 -3.672 357 HG3 GLN 56 2HG GLN 56 18.107 -8.556 -1.420 358 HE21 GLN 56 1HE2 GLN 56 19.026 -5.628 -1.267 359 HE22 GLN 56 2HE2 GLN 56 20.533 -5.768 -2.134 360 HA PRO 57 HA PRO 57 13.408 -9.319 -6.724 361 HB3 PRO 57 2HB PRO 57 14.679 -10.353 -8.307 362 HG3 PRO 57 2HG PRO 57 16.875 -11.140 -7.827 363 HD3 PRO 57 2HD PRO 57 16.803 -8.888 -7.018 364 H ALA 58 H ALA 58 15.112 -11.188 -4.140 365 HA ALA 58 HA ALA 58 12.742 -12.763 -3.521 366 HB1 ALA 58 1HB ALA 58 14.990 -13.568 -2.953 367 HB2 ALA 58 2HB ALA 58 15.203 -12.183 -1.835 368 HB3 ALA 58 3HB ALA 58 13.968 -13.418 -1.514 369 H ASP 59 H ASP 59 13.855 -9.496 -2.630 370 HA ASP 59 HA ASP 59 12.235 -9.304 -0.239 371 HB3 ASP 59 2HB ASP 59 12.391 -6.744 -0.930 372 H VAL 60 H VAL 60 11.717 -8.931 -3.716 373 HA VAL 60 HA VAL 60 8.996 -7.935 -3.419 374 HB VAL 60 HB VAL 60 10.522 -9.057 -5.805 375 HG11 VAL 60 1HG1 VAL 60 8.082 -9.420 -6.160 376 HG12 VAL 60 2HG1 VAL 60 7.790 -7.694 -5.815 377 HG13 VAL 60 3HG1 VAL 60 8.734 -8.173 -7.225 378 HG21 VAL 60 3HG2 VAL 60 9.876 -6.309 -4.691 379 HG22 VAL 60 1HG2 VAL 60 11.451 -6.974 -5.139 380 HG23 VAL 60 2HG2 VAL 60 10.265 -6.521 -6.383 381 H SER 61 H SER 61 10.383 -11.076 -4.561 382 HA SER 61 HA SER 61 7.813 -12.313 -4.329 383 HB3 SER 61 2HB SER 61 9.099 -14.283 -5.212 384 HG SER 61 HG SER 61 9.897 -12.712 -7.042 385 H MET 62 H MET 62 8.819 -11.460 -1.726 386 HA MET 62 HA MET 62 8.353 -13.970 -0.225 387 HB3 MET 62 2HB MET 62 10.351 -12.624 0.480 388 HG3 MET 62 2HG MET 62 8.286 -10.643 1.481 389 HE1 MET 62 3HE MET 62 9.049 -11.096 3.897 390 HE2 MET 62 1HE MET 62 10.236 -12.327 3.429 391 HE3 MET 62 2HE MET 62 10.731 -10.977 4.481 392 H ILE 63 H ILE 63 7.129 -10.769 -1.269 393 HA ILE 63 HA ILE 63 5.192 -10.556 0.815 394 HB ILE 63 HB ILE 63 5.564 -9.132 -1.819 395 HG13 ILE 63 2HG1 ILE 63 7.396 -8.970 0.068 396 HG21 ILE 63 1HG2 ILE 63 3.300 -8.756 -1.231 397 HG22 ILE 63 2HG2 ILE 63 3.714 -8.377 0.453 398 HG23 ILE 63 3HG2 ILE 63 4.175 -7.283 -0.870 399 HD11 ILE 63 3HD1 ILE 63 7.507 -7.661 -1.944 400 HD12 ILE 63 1HD1 ILE 63 6.252 -6.563 -1.396 401 HD13 ILE 63 2HD1 ILE 63 7.818 -6.611 -0.551 402 H LYS 64 H LYS 64 5.066 -11.959 -2.491 403 HA LYS 64 HA LYS 64 2.172 -12.098 -2.543 404 HB3 LYS 64 2HB LYS 64 2.331 -13.546 -4.389 405 HG3 LYS 64 2HG LYS 64 3.610 -11.100 -4.481 406 HD3 LYS 64 2HD LYS 64 5.779 -12.593 -4.830 407 HE3 LYS 64 2HE LYS 64 4.647 -12.486 -7.649 408 HZ1 LYS 64 3HZ LYS 64 7.195 -12.670 -6.986 409 HZ2 LYS 64 1HZ LYS 64 6.550 -13.361 -8.296 410 HZ3 LYS 64 2HZ LYS 64 6.843 -14.276 -6.975 411 H LYS 65 H LYS 65 4.681 -14.088 -1.058 412 HA LYS 65 HA LYS 65 2.992 -16.356 -0.574 413 HB3 LYS 65 2HB LYS 65 4.824 -16.842 1.202 414 HG3 LYS 65 2HG LYS 65 4.964 -16.888 -1.680 415 HD3 LYS 65 2HD LYS 65 6.994 -15.358 -1.005 416 HE3 LYS 65 2HE LYS 65 7.749 -17.408 0.577 417 HZ1 LYS 65 3HZ LYS 65 9.341 -17.743 -1.882 418 HZ2 LYS 65 1HZ LYS 65 8.090 -18.749 -1.514 419 HZ3 LYS 65 2HZ LYS 65 9.396 -18.675 -0.526 420 H GLN 66 H GLN 66 3.007 -13.202 0.807 421 HA GLN 66 HA GLN 66 1.573 -14.157 3.225 422 HB3 GLN 66 2HB GLN 66 1.775 -11.657 3.805 423 HG3 GLN 66 2HG GLN 66 3.031 -13.502 4.906 424 HE21 GLN 66 1HE2 GLN 66 5.818 -11.746 3.652 425 HE22 GLN 66 2HE2 GLN 66 6.478 -13.118 2.758 426 H GLY 67 H GLY 67 0.515 -14.050 0.282 427 HA2 GLY 67 1HA GLY 67 -1.738 -14.314 -0.069 428 HA3 GLY 67 2HA GLY 67 -2.132 -13.262 1.286 429 H THR 68 H THR 68 0.229 -11.998 -0.851 430 HA THR 68 HA THR 68 -1.584 -9.871 -1.653 431 HB THR 68 HB THR 68 1.414 -10.052 -2.133 432 HG1 THR 68 1HG THR 68 1.650 -10.226 -0.081 433 HG21 THR 68 3HG2 THR 68 0.436 -8.018 -3.025 434 HG22 THR 68 1HG2 THR 68 1.268 -7.604 -1.531 435 HG23 THR 68 2HG2 THR 68 -0.494 -7.758 -1.526 436 H THR 69 H THR 69 -1.324 -8.879 -3.942 437 HA THR 69 HA THR 69 -0.350 -10.630 -6.055 438 HB THR 69 HB THR 69 -2.365 -9.891 -7.447 439 HG1 THR 69 1HG THR 69 -4.100 -9.111 -6.484 440 HG21 THR 69 3HG2 THR 69 -2.060 -12.208 -6.653 441 HG22 THR 69 1HG2 THR 69 -3.777 -11.750 -6.706 442 HG23 THR 69 2HG2 THR 69 -2.923 -11.794 -5.147 443 H LEU 70 H LEU 70 -0.108 -9.211 -8.103 444 HA LEU 70 HA LEU 70 1.281 -6.829 -7.526 445 HB3 LEU 70 2HB LEU 70 0.024 -7.888 -10.106 446 HG LEU 70 HG LEU 70 0.565 -5.449 -10.373 447 HD11 LEU 70 1HD1 LEU 70 2.921 -4.757 -10.307 448 HD12 LEU 70 2HD1 LEU 70 3.382 -6.314 -9.589 449 HD13 LEU 70 3HD1 LEU 70 2.344 -5.176 -8.694 450 HD21 LEU 70 3HD2 LEU 70 0.808 -7.067 -12.223 451 HD22 LEU 70 1HD2 LEU 70 2.495 -7.361 -11.749 452 HD23 LEU 70 2HD2 LEU 70 1.994 -5.757 -12.327 453 H GLU 71 H GLU 71 -2.073 -7.421 -8.282 454 HA GLU 71 HA GLU 71 -3.064 -4.857 -8.796 455 HB3 GLU 71 2HB GLU 71 -4.573 -6.953 -7.207 456 HG3 GLU 71 2HG GLU 71 -5.458 -6.016 -9.829 457 H MET 72 H MET 72 -2.111 -6.231 -5.890 458 HA MET 72 HA MET 72 -3.417 -4.338 -4.051 459 HB3 MET 72 2HB MET 72 -0.911 -5.602 -3.068 460 HG3 MET 72 2HG MET 72 -2.783 -4.602 -1.660 461 HE1 MET 72 3HE MET 72 -3.270 -8.394 -1.557 462 HE2 MET 72 1HE MET 72 -4.961 -8.668 -2.002 463 HE3 MET 72 2HE MET 72 -3.769 -8.298 -3.265 464 H ILE 73 H ILE 73 -0.166 -4.780 -5.400 465 HA ILE 73 HA ILE 73 1.162 -2.695 -3.987 466 HB ILE 73 HB ILE 73 1.820 -4.116 -6.607 467 HG13 ILE 73 2HG1 ILE 73 3.224 -5.616 -5.126 468 HG21 ILE 73 1HG2 ILE 73 3.290 -2.172 -6.237 469 HG22 ILE 73 2HG2 ILE 73 3.825 -2.891 -4.705 470 HG23 ILE 73 3HG2 ILE 73 4.140 -3.713 -6.238 471 HD11 ILE 73 3HD1 ILE 73 1.354 -4.644 -2.911 472 HD12 ILE 73 1HD1 ILE 73 2.439 -6.044 -2.845 473 HD13 ILE 73 2HD1 ILE 73 3.118 -4.420 -2.960 474 H THR 74 H THR 74 -0.357 -2.738 -7.205 475 HA THR 74 HA THR 74 0.455 -0.156 -8.046 476 HB THR 74 HB THR 74 -1.842 -0.556 -9.359 477 HG1 THR 74 1HG THR 74 -1.424 -3.220 -9.097 478 HG21 THR 74 3HG2 THR 74 -0.614 -1.960 -10.945 479 HG22 THR 74 1HG2 THR 74 0.581 -2.395 -9.693 480 HG23 THR 74 2HG2 THR 74 0.470 -0.727 -10.304 481 H ALA 75 H ALA 75 -2.437 -1.210 -6.180 482 HA ALA 75 HA ALA 75 -3.599 1.454 -6.202 483 HB1 ALA 75 1HB ALA 75 -4.147 -0.900 -4.337 484 HB2 ALA 75 2HB ALA 75 -5.167 0.540 -4.536 485 HB3 ALA 75 3HB ALA 75 -4.964 -0.588 -5.889 486 H TRP 76 H TRP 76 -1.516 -0.348 -4.004 487 HA TRP 76 HA TRP 76 -1.482 1.640 -1.912 488 HB3 TRP 76 2HB TRP 76 0.468 -0.040 -1.234 489 HD1 TRP 76 HD TRP 76 -2.299 -2.415 -1.720 490 HE1 TRP 76 1HE TRP 76 -3.982 -2.313 0.189 491 HE3 TRP 76 3HE TRP 76 -0.773 1.908 0.533 492 HZ2 TRP 76 2HZ TRP 76 -4.425 -0.761 2.569 493 HZ3 TRP 76 3HZ TRP 76 -1.789 2.636 2.656 494 HH2 TRP 76 HH TRP 76 -3.686 1.314 3.666 495 H GLN 77 H GLN 77 0.209 1.392 -4.889 496 HA GLN 77 HA GLN 77 2.475 3.041 -3.954 497 HB3 GLN 77 2HB GLN 77 1.541 2.145 -6.730 498 HG3 GLN 77 2HG GLN 77 4.308 2.858 -6.552 499 HE21 GLN 77 1HE2 GLN 77 4.413 2.601 -8.807 500 HE22 GLN 77 2HE2 GLN 77 3.850 3.910 -9.803 501 H ASP 78 H ASP 78 -0.261 3.288 -6.197 502 HA ASP 78 HA ASP 78 -0.221 5.924 -6.916 503 HB3 ASP 78 2HB ASP 78 -2.680 4.171 -6.358 504 H PHE 79 H PHE 79 -1.925 4.548 -4.060 505 HA PHE 79 HA PHE 79 -3.117 6.939 -3.236 506 HB3 PHE 79 2HB PHE 79 -2.068 4.679 -1.496 507 HD1 PHE 79 2HD PHE 79 -4.462 7.633 -1.609 508 HD2 PHE 79 1HD PHE 79 -2.219 4.883 0.884 509 HE1 PHE 79 2HE PHE 79 -4.949 8.999 0.348 510 HE2 PHE 79 1HE PHE 79 -2.695 6.285 2.815 511 HZ PHE 79 HZ PHE 79 -4.066 8.357 2.595 512 H TYR 80 H TYR 80 0.214 5.846 -2.390 513 HA TYR 80 HA TYR 80 0.659 8.245 -0.769 514 HB3 TYR 80 2HB TYR 80 3.064 7.523 -0.837 515 HD1 TYR 80 2HD TYR 80 2.074 7.809 1.558 516 HD2 TYR 80 1HD TYR 80 1.735 4.262 -0.804 517 HE1 TYR 80 2HE TYR 80 1.370 6.603 3.569 518 HE2 TYR 80 1HE TYR 80 1.021 2.989 1.215 519 HH TYR 80 HH TYR 80 0.491 3.130 3.522 520 H GLU 81 H GLU 81 1.092 7.363 -4.188 521 HA GLU 81 HA GLU 81 2.786 9.581 -4.922 522 HB3 GLU 81 2HB GLU 81 1.772 9.152 -7.213 523 HG3 GLU 81 2HG GLU 81 2.760 6.570 -5.968 524 H GLN 82 H GLN 82 -0.663 9.203 -4.475 525 HA GLN 82 HA GLN 82 -1.357 11.824 -5.421 526 HB3 GLN 82 2HB GLN 82 -3.503 11.540 -4.261 527 HG3 GLN 82 2HG GLN 82 -4.437 10.088 -5.619 528 HE21 GLN 82 1HE2 GLN 82 -2.197 8.460 -7.342 529 HE22 GLN 82 2HE2 GLN 82 -1.794 9.679 -8.556 530 H GLU 83 H GLU 83 0.067 10.898 -2.422 531 HA GLU 83 HA GLU 83 -0.811 13.239 -0.903 532 HB3 GLU 83 2HB GLU 83 0.775 12.546 0.789 533 HG3 GLU 83 2HG GLU 83 0.393 10.055 1.049 534 H GLN 84 H GLN 84 1.764 12.468 -3.207 535 HA GLN 84 HA GLN 84 3.661 14.326 -1.943 536 HB3 GLN 84 2HB GLN 84 5.012 13.668 -4.047 537 HG3 GLN 84 2HG GLN 84 3.972 11.737 -1.949 538 HE21 GLN 84 1HE2 GLN 84 3.746 9.737 -2.726 539 HE22 GLN 84 2HE2 GLN 84 4.881 8.962 -3.836 540 H GLN 85 H GLN 85 1.487 14.389 -4.722 541 HA GLN 85 HA GLN 85 2.534 16.673 -5.977 542 HB3 GLN 85 2HB GLN 85 0.806 15.091 -6.833 543 HG3 GLN 85 2HG GLN 85 -1.285 16.810 -5.458 544 HE21 GLN 85 1HE2 GLN 85 -2.179 13.706 -5.199 545 HE22 GLN 85 2HE2 GLN 85 -2.849 13.370 -6.781 546 H ARG 86 H ARG 86 0.415 16.407 -3.150 547 HA ARG 86 HA ARG 86 -0.256 19.254 -3.149 548 HB3 ARG 86 2HB ARG 86 -1.954 17.813 -2.329 549 HG3 ARG 86 2HG ARG 86 -0.032 16.805 -0.175 550 HD3 ARG 86 2HD ARG 86 -1.793 15.014 0.070 551 HE ARG 86 HE ARG 86 -1.900 17.590 1.283 552 HH11 ARG 86 1HH1 ARG 86 -3.709 14.491 1.095 553 HH12 ARG 86 2HH1 ARG 86 -4.248 14.582 2.722 554 HH21 ARG 86 1HH2 ARG 86 -2.819 17.811 3.299 555 HH22 ARG 86 2HH2 ARG 86 -3.741 16.526 4.023 556 H ASN 87 H ASN 87 2.394 17.340 -1.658 557 HA ASN 87 HA ASN 87 3.305 19.832 -0.557 558 HB3 ASN 87 2HB ASN 87 2.050 19.121 1.302 559 HD21 ASN 87 1HD2 ASN 87 1.934 17.684 3.243 560 HD22 ASN 87 2HD2 ASN 87 1.970 15.946 2.998 561 H GLU 88 H GLU 88 5.298 20.039 -0.527 562 HA GLU 88 HA GLU 88 7.156 18.204 -1.848 563 HB3 GLU 88 2HB GLU 88 8.557 20.368 -0.534 564 HG3 GLU 88 2HG GLU 88 8.140 21.404 -2.968 565 H ASN 89 H ASN 89 6.044 18.375 1.324 566 HA ASN 89 HA ASN 89 8.656 17.623 2.577 567 HB3 ASN 89 2HB ASN 89 7.876 18.843 4.553 568 HD21 ASN 89 1HD2 ASN 89 9.189 19.407 1.630 569 HD22 ASN 89 2HD2 ASN 89 9.276 21.157 1.675 570 H ASN 90 H ASN 90 6.910 15.625 1.496 571 HA ASN 90 HA ASN 90 6.120 14.306 4.053 572 HB3 ASN 90 2HB ASN 90 4.573 13.982 1.450 573 HD21 ASN 90 1HD2 ASN 90 2.994 12.408 1.747 574 HD22 ASN 90 2HD2 ASN 90 2.180 12.123 3.268 575 HA PRO 91 HA PRO 91 9.243 11.952 1.622 576 HB3 PRO 91 2HB PRO 91 10.952 12.846 2.896 577 HG3 PRO 91 2HG PRO 91 10.544 13.537 5.164 578 HD3 PRO 91 2HD PRO 91 9.060 14.657 3.782 579 H THR 92 H THR 92 7.279 11.110 4.551 580 HA THR 92 HA THR 92 7.765 8.327 4.497 581 HB THR 92 HB THR 92 5.287 9.873 5.354 582 HG1 THR 92 1HG THR 92 6.257 9.796 7.355 583 HG21 THR 92 3HG2 THR 92 6.160 7.020 6.005 584 HG22 THR 92 1HG2 THR 92 4.753 7.501 5.009 585 HG23 THR 92 2HG2 THR 92 4.789 7.891 6.731 586 H ALA 93 H ALA 93 5.055 10.180 2.937 587 HA ALA 93 HA ALA 93 4.169 7.964 1.425 588 HB1 ALA 93 1HB ALA 93 4.036 10.944 0.738 589 HB2 ALA 93 2HB ALA 93 3.062 9.665 0.003 590 HB3 ALA 93 3HB ALA 93 2.843 10.040 1.717 591 H LYS 94 H LYS 94 6.479 10.544 0.576 592 HA LYS 94 HA LYS 94 6.953 9.835 -2.035 593 HB3 LYS 94 2HB LYS 94 9.269 10.706 -0.293 594 HG3 LYS 94 2HG LYS 94 8.303 11.130 -3.093 595 HD3 LYS 94 2HD LYS 94 7.978 13.324 -2.330 596 HE3 LYS 94 2HE LYS 94 10.849 13.344 -1.281 597 HZ1 LYS 94 3HZ LYS 94 8.758 15.447 -1.227 598 HZ2 LYS 94 1HZ LYS 94 10.099 15.477 -2.177 599 HZ3 LYS 94 2HZ LYS 94 10.253 15.588 -0.568 600 H TYR 95 H TYR 95 8.931 8.456 0.650 601 HA TYR 95 HA TYR 95 10.221 6.613 -1.176 602 HB3 TYR 95 2HB TYR 95 10.971 5.483 0.891 603 HD1 TYR 95 1HD TYR 95 12.797 6.646 -0.646 604 HD2 TYR 95 2HD TYR 95 10.910 8.481 2.744 605 HE1 TYR 95 1HE TYR 95 14.676 8.252 -0.483 606 HE2 TYR 95 2HE TYR 95 12.741 10.111 2.914 607 HH TYR 95 HH TYR 95 14.916 10.592 2.236 608 H ARG 96 H ARG 96 7.259 6.331 0.888 609 HA ARG 96 HA ARG 96 6.946 3.517 0.659 610 HB3 ARG 96 2HB ARG 96 4.435 4.111 0.938 611 HG3 ARG 96 2HG ARG 96 6.235 5.367 3.012 612 HD3 ARG 96 2HD ARG 96 3.552 4.038 3.123 613 HE ARG 96 HE ARG 96 5.401 3.570 5.013 614 HH11 ARG 96 1HH1 ARG 96 2.290 5.315 5.046 615 HH12 ARG 96 2HH1 ARG 96 2.311 5.555 6.753 616 HH21 ARG 96 1HH2 ARG 96 5.196 3.649 7.385 617 HH22 ARG 96 2HH2 ARG 96 3.909 4.612 8.031 618 H ALA 97 H ALA 97 5.682 6.097 -1.518 619 HA ALA 97 HA ALA 97 4.282 4.346 -3.292 620 HB1 ALA 97 1HB ALA 97 4.783 6.230 -4.945 621 HB2 ALA 97 2HB ALA 97 3.911 6.736 -3.485 622 HB3 ALA 97 3HB ALA 97 5.655 7.064 -3.656 623 H ARG 98 H ARG 98 7.551 5.833 -3.521 624 HA ARG 98 HA ARG 98 8.358 4.576 -5.857 625 HB3 ARG 98 2HB ARG 98 10.762 4.959 -4.718 626 HG3 ARG 98 2HG ARG 98 8.703 7.099 -5.396 627 HD3 ARG 98 2HD ARG 98 11.726 7.312 -5.153 628 HE ARG 98 HE ARG 98 10.514 7.926 -7.418 629 HH11 ARG 98 1HH1 ARG 98 11.288 10.342 -4.929 630 HH12 ARG 98 2HH1 ARG 98 10.846 11.677 -5.962 631 HH21 ARG 98 1HH2 ARG 98 10.051 9.539 -8.703 632 HH22 ARG 98 2HH2 ARG 98 10.283 11.203 -8.270 633 H LEU 99 H LEU 99 8.541 3.266 -2.581 634 HA LEU 99 HA LEU 99 10.017 0.919 -3.158 635 HB3 LEU 99 2HB LEU 99 7.810 1.380 -1.101 636 HG LEU 99 HG LEU 99 8.261 -0.931 -0.975 637 HD11 LEU 99 1HD1 LEU 99 10.184 -1.244 -2.421 638 HD12 LEU 99 2HD1 LEU 99 10.591 -1.864 -0.827 639 HD13 LEU 99 3HD1 LEU 99 11.202 -0.278 -1.330 640 HD21 LEU 99 3HD2 LEU 99 10.005 0.678 0.930 641 HD22 LEU 99 1HD2 LEU 99 9.682 -1.042 1.146 642 HD23 LEU 99 2HD2 LEU 99 8.334 0.119 1.158 643 H MET 100 H MET 100 6.529 1.297 -2.800 644 HA MET 100 HA MET 100 5.695 -1.237 -3.719 645 HB3 MET 100 2HB MET 100 3.608 -0.059 -4.530 646 HG3 MET 100 2HG MET 100 2.842 0.491 -2.297 647 HE1 MET 100 3HE MET 100 2.931 -2.954 -0.300 648 HE2 MET 100 1HE MET 100 3.746 -1.412 0.073 649 HE3 MET 100 2HE MET 100 2.029 -1.437 -0.481 650 H LYS 101 H LYS 101 6.312 1.720 -5.690 651 HA LYS 101 HA LYS 101 5.679 0.673 -8.235 652 HB3 LYS 101 2HB LYS 101 7.953 2.657 -7.692 653 HG3 LYS 101 2HG LYS 101 6.659 3.824 -9.581 654 HD3 LYS 101 2HD LYS 101 7.980 1.288 -10.532 655 HE3 LYS 101 2HE LYS 101 7.292 3.981 -11.650 656 HZ1 LYS 101 3HZ LYS 101 9.027 3.789 -13.270 657 HZ2 LYS 101 1HZ LYS 101 9.672 2.491 -12.552 658 HZ3 LYS 101 2HZ LYS 101 9.705 3.934 -11.759 659 H LYS 102 H LYS 102 8.851 0.849 -6.704 660 HA LYS 102 HA LYS 102 10.319 -0.646 -8.604 661 HB3 LYS 102 2HB LYS 102 11.003 -1.091 -5.730 662 HG3 LYS 102 2HG LYS 102 12.475 -0.140 -8.204 663 HD3 LYS 102 2HD LYS 102 13.549 -0.597 -5.392 664 HE3 LYS 102 2HE LYS 102 14.911 -1.380 -7.439 665 HZ1 LYS 102 3HZ LYS 102 15.428 1.518 -7.743 666 HZ2 LYS 102 1HZ LYS 102 14.423 0.684 -8.725 667 HZ3 LYS 102 2HZ LYS 102 15.982 0.246 -8.683 668 H ILE 103 H ILE 103 8.482 -1.863 -5.783 669 HA ILE 103 HA ILE 103 9.144 -4.564 -6.033 670 HB ILE 103 HB ILE 103 6.769 -3.102 -4.861 671 HG13 ILE 103 2HG1 ILE 103 9.122 -2.969 -3.863 672 HG21 ILE 103 1HG2 ILE 103 5.985 -5.378 -5.532 673 HG22 ILE 103 2HG2 ILE 103 7.238 -6.065 -4.462 674 HG23 ILE 103 3HG2 ILE 103 5.925 -5.069 -3.804 675 HD11 ILE 103 3HD1 ILE 103 7.114 -2.566 -2.432 676 HD12 ILE 103 1HD1 ILE 103 7.106 -4.299 -2.021 677 HD13 ILE 103 2HD1 ILE 103 8.492 -3.296 -1.577 678 H ALA 104 H ALA 104 6.456 -2.760 -7.637 679 HA ALA 104 HA ALA 104 5.504 -4.999 -9.146 680 HB1 ALA 104 1HB ALA 104 5.427 -1.992 -9.726 681 HB2 ALA 104 2HB ALA 104 4.505 -3.207 -10.596 682 HB3 ALA 104 3HB ALA 104 4.185 -2.925 -8.870 683 H ASP 105 H ASP 105 8.298 -2.886 -9.605 684 HA ASP 105 HA ASP 105 8.661 -3.244 -12.399 685 HB3 ASP 105 2HB ASP 105 11.070 -2.838 -10.669 686 H LEU 106 H LEU 106 9.432 -5.301 -9.661 687 HA LEU 106 HA LEU 106 11.142 -7.097 -11.341 688 HB3 LEU 106 2HB LEU 106 11.818 -8.074 -9.136 689 HG LEU 106 HG LEU 106 12.222 -5.062 -9.314 690 HD11 LEU 106 1HD1 LEU 106 13.715 -7.041 -7.550 691 HD12 LEU 106 2HD1 LEU 106 12.408 -6.003 -6.984 692 HD13 LEU 106 3HD1 LEU 106 13.903 -5.277 -7.611 693 HD21 LEU 106 3HD2 LEU 106 13.293 -6.349 -11.142 694 HD22 LEU 106 1HD2 LEU 106 14.081 -7.408 -9.930 695 HD23 LEU 106 2HD2 LEU 106 14.509 -5.699 -10.031 696 H TRP 107 H TRP 107 7.969 -6.818 -10.843 697 HA TRP 107 HA TRP 107 7.352 -9.379 -9.756 698 HB3 TRP 107 2HB TRP 107 5.434 -7.990 -11.603 699 HD1 TRP 107 HD TRP 107 3.706 -10.000 -11.310 700 HE1 TRP 107 1HE TRP 107 2.236 -10.741 -9.432 701 HE3 TRP 107 3HE TRP 107 5.798 -7.214 -7.579 702 HZ2 TRP 107 2HZ TRP 107 1.895 -10.152 -6.603 703 HZ3 TRP 107 3HZ TRP 107 4.729 -7.191 -5.323 704 HH2 TRP 107 HH TRP 107 2.775 -8.620 -4.840 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -12.294 13.547 2.731 2 HA2 GLY 1 1HA GLY 1 -13.882 13.085 5.193 3 HA3 GLY 1 2HA GLY 1 -13.390 14.681 4.580 4 H THR 2 H THR 2 -15.739 15.155 4.628 5 HA THR 2 HA THR 2 -17.845 15.143 3.941 6 HB THR 2 HB THR 2 -16.903 16.651 2.401 7 HG1 THR 2 1HG THR 2 -18.688 15.006 0.986 8 HG21 THR 2 3HG2 THR 2 -16.497 14.425 0.365 9 HG22 THR 2 1HG2 THR 2 -15.224 15.383 1.156 10 HG23 THR 2 2HG2 THR 2 -16.369 16.170 0.073 11 H ASP 3 H ASP 3 -18.254 13.115 4.933 12 HA ASP 3 HA ASP 3 -19.027 11.052 2.999 13 HB3 ASP 3 2HB ASP 3 -16.695 10.572 3.634 14 H PHE 4 H PHE 4 -19.944 9.106 4.475 15 HA PHE 4 HA PHE 4 -21.880 10.019 6.405 16 HB3 PHE 4 2HB PHE 4 -22.868 10.986 4.393 17 HD1 PHE 4 1HD PHE 4 -23.697 7.474 3.497 18 HD2 PHE 4 2HD PHE 4 -21.569 11.041 2.305 19 HE1 PHE 4 1HE PHE 4 -23.276 6.486 1.275 20 HE2 PHE 4 2HE PHE 4 -21.124 10.023 0.088 21 HZ PHE 4 HZ PHE 4 -21.984 7.749 -0.438 22 H GLY 5 H GLY 5 -23.632 8.084 6.383 23 HA2 GLY 5 1HA GLY 5 -22.321 5.471 6.011 24 HA3 GLY 5 2HA GLY 5 -23.029 5.917 7.576 25 H THR 6 H THR 6 -24.194 3.862 6.724 26 HA THR 6 HA THR 6 -26.578 4.566 5.074 27 HB THR 6 HB THR 6 -24.866 3.316 3.866 28 HG1 THR 6 1HG THR 6 -27.273 1.911 4.398 29 HG21 THR 6 3HG2 THR 6 -23.791 2.055 5.635 30 HG22 THR 6 1HG2 THR 6 -24.419 0.939 4.412 31 HG23 THR 6 2HG2 THR 6 -25.269 1.154 5.965 32 H THR 7 H THR 7 -26.136 4.587 8.072 33 HA THR 7 HA THR 7 -27.089 2.230 9.244 34 HB THR 7 HB THR 7 -25.696 4.025 10.254 35 HG1 THR 7 1HG THR 7 -28.037 3.274 11.635 36 HG21 THR 7 3HG2 THR 7 -28.300 5.556 10.665 37 HG22 THR 7 1HG2 THR 7 -26.990 6.032 9.562 38 HG23 THR 7 2HG2 THR 7 -26.699 5.970 11.304 39 H ASN 8 H ASN 8 -29.005 4.186 7.313 40 HA ASN 8 HA ASN 8 -31.431 3.081 8.562 41 HB3 ASN 8 2HB ASN 8 -31.415 5.974 7.656 42 HD21 ASN 8 1HD2 ASN 8 -32.659 3.695 10.239 43 HD22 ASN 8 2HD2 ASN 8 -34.307 4.297 10.066 44 H ASN 9 H ASN 9 -29.719 2.594 5.924 45 HA ASN 9 HA ASN 9 -31.976 2.546 4.181 46 HB3 ASN 9 2HB ASN 9 -29.449 3.991 3.287 47 HD21 ASN 9 1HD2 ASN 9 -29.741 4.950 1.043 48 HD22 ASN 9 2HD2 ASN 9 -30.883 4.122 -0.006 49 H PHE 10 H PHE 10 -31.582 1.132 2.613 50 HA PHE 10 HA PHE 10 -29.427 -0.902 2.910 51 HB3 PHE 10 2HB PHE 10 -31.717 -1.785 2.788 52 HD1 PHE 10 2HD PHE 10 -33.117 0.549 1.858 53 HD2 PHE 10 1HD PHE 10 -31.750 -2.869 -0.410 54 HE1 PHE 10 2HE PHE 10 -34.811 1.003 0.154 55 HE2 PHE 10 1HE PHE 10 -33.486 -2.418 -2.105 56 HZ PHE 10 HZ PHE 10 -35.021 -0.475 -1.841 57 H VAL 11 H VAL 11 -28.714 -1.670 0.446 58 HA VAL 11 HA VAL 11 -28.155 0.683 -1.201 59 HB VAL 11 HB VAL 11 -26.581 1.063 0.495 60 HG11 VAL 11 1HG1 VAL 11 -26.607 -1.119 1.690 61 HG12 VAL 11 2HG1 VAL 11 -25.546 -1.772 0.421 62 HG13 VAL 11 3HG1 VAL 11 -25.013 -0.433 1.462 63 HG21 VAL 11 3HG2 VAL 11 -25.039 -0.395 -1.672 64 HG22 VAL 11 1HG2 VAL 11 -25.725 1.237 -1.804 65 HG23 VAL 11 2HG2 VAL 11 -24.455 0.904 -0.618 66 H SER 12 H SER 12 -28.129 0.025 -3.280 67 HA SER 12 HA SER 12 -28.504 -2.672 -3.996 68 HB3 SER 12 2HB SER 12 -28.293 -1.842 -6.290 69 HG SER 12 HG SER 12 -30.042 -1.094 -4.665 70 HA PRO 13 HA PRO 13 -24.480 -4.342 -4.206 71 HB3 PRO 13 2HB PRO 13 -25.426 -6.310 -4.520 72 HG3 PRO 13 2HG PRO 13 -27.356 -6.599 -5.916 73 HD3 PRO 13 2HD PRO 13 -27.953 -4.794 -4.558 74 H ASN 14 H ASN 14 -23.585 -2.229 -5.003 75 HA ASN 14 HA ASN 14 -22.219 -2.433 -7.530 76 HB3 ASN 14 2HB ASN 14 -24.789 -1.721 -7.762 77 HD21 ASN 14 1HD2 ASN 14 -23.244 1.079 -8.933 78 HD22 ASN 14 2HD2 ASN 14 -24.014 2.262 -7.876 79 H LEU 15 H LEU 15 -21.110 -0.549 -7.914 80 HA LEU 15 HA LEU 15 -19.937 0.876 -5.563 81 HB3 LEU 15 2HB LEU 15 -18.454 -0.942 -7.505 82 HG LEU 15 HG LEU 15 -17.496 1.039 -5.589 83 HD11 LEU 15 1HD1 LEU 15 -16.817 -1.827 -4.865 84 HD12 LEU 15 2HD1 LEU 15 -17.598 -0.606 -3.841 85 HD13 LEU 15 3HD1 LEU 15 -15.913 -0.413 -4.313 86 HD21 LEU 15 3HD2 LEU 15 -15.786 -1.027 -7.014 87 HD22 LEU 15 1HD2 LEU 15 -15.401 0.657 -6.580 88 HD23 LEU 15 2HD2 LEU 15 -16.528 0.322 -7.886 89 H GLN 16 H GLN 16 -21.471 2.055 -7.750 90 HA GLN 16 HA GLN 16 -19.574 3.266 -9.636 91 HB3 GLN 16 2HB GLN 16 -21.596 4.588 -10.352 92 HG3 GLN 16 2HG GLN 16 -21.811 1.554 -10.256 93 HE21 GLN 16 1HE2 GLN 16 -23.522 0.558 -11.447 94 HE22 GLN 16 2HE2 GLN 16 -24.752 1.498 -12.233 95 H LEU 17 H LEU 17 -18.773 3.694 -6.912 96 HA LEU 17 HA LEU 17 -18.394 6.469 -6.755 97 HB3 LEU 17 2HB LEU 17 -20.557 6.346 -5.602 98 HG LEU 17 HG LEU 17 -21.021 5.440 -3.557 99 HD11 LEU 17 1HD1 LEU 17 -20.994 3.039 -3.715 100 HD12 LEU 17 2HD1 LEU 17 -19.665 3.058 -4.864 101 HD13 LEU 17 3HD1 LEU 17 -21.257 3.709 -5.319 102 HD21 LEU 17 3HD2 LEU 17 -18.708 5.816 -2.577 103 HD22 LEU 17 1HD2 LEU 17 -18.332 4.157 -3.073 104 HD23 LEU 17 2HD2 LEU 17 -19.661 4.457 -1.959 105 H LYS 18 H LYS 18 -16.518 6.687 -5.882 106 HA LYS 18 HA LYS 18 -14.971 4.510 -4.551 107 HB3 LYS 18 2HB LYS 18 -13.113 6.098 -4.503 108 HG3 LYS 18 2HG LYS 18 -13.700 4.596 -6.599 109 HD3 LYS 18 2HD LYS 18 -13.671 7.399 -7.811 110 HE3 LYS 18 2HE LYS 18 -13.969 4.590 -8.961 111 HZ1 LYS 18 3HZ LYS 18 -14.021 5.768 -11.085 112 HZ2 LYS 18 1HZ LYS 18 -14.131 7.220 -10.306 113 HZ3 LYS 18 2HZ LYS 18 -15.342 6.134 -10.197 114 H GLN 19 H GLN 19 -14.077 5.051 -2.406 115 HA GLN 19 HA GLN 19 -15.286 7.282 -0.966 116 HB3 GLN 19 2HB GLN 19 -16.922 5.433 -0.599 117 HG3 GLN 19 2HG GLN 19 -16.046 3.778 1.252 118 HE21 GLN 19 1HE2 GLN 19 -14.169 2.824 -1.631 119 HE22 GLN 19 2HE2 GLN 19 -15.236 1.458 -1.820 120 H ASN 20 H ASN 20 -14.246 6.788 1.544 121 HA ASN 20 HA ASN 20 -11.332 6.443 1.156 122 HB3 ASN 20 2HB ASN 20 -12.883 7.194 3.657 123 HD21 ASN 20 1HD2 ASN 20 -11.174 5.337 4.436 124 HD22 ASN 20 2HD2 ASN 20 -9.688 6.083 4.978 125 H VAL 21 H VAL 21 -11.040 4.364 0.988 126 HA VAL 21 HA VAL 21 -11.804 2.565 3.249 127 HB VAL 21 HB VAL 21 -13.340 2.134 1.444 128 HG11 VAL 21 1HG1 VAL 21 -10.925 1.657 -0.338 129 HG12 VAL 21 2HG1 VAL 21 -12.606 1.307 -0.771 130 HG13 VAL 21 3HG1 VAL 21 -12.112 2.978 -0.457 131 HG21 VAL 21 3HG2 VAL 21 -11.396 -0.183 1.430 132 HG22 VAL 21 1HG2 VAL 21 -12.523 0.187 2.758 133 HG23 VAL 21 2HG2 VAL 21 -13.135 -0.196 1.146 134 H LEU 22 H LEU 22 -10.255 0.578 3.270 135 HA LEU 22 HA LEU 22 -7.478 1.510 2.704 136 HB3 LEU 22 2HB LEU 22 -6.928 -0.676 3.944 137 HG LEU 22 HG LEU 22 -8.453 1.458 5.501 138 HD11 LEU 22 1HD1 LEU 22 -8.349 -0.786 6.673 139 HD12 LEU 22 2HD1 LEU 22 -7.422 0.477 7.496 140 HD13 LEU 22 3HD1 LEU 22 -6.572 -0.730 6.504 141 HD21 LEU 22 3HD2 LEU 22 -5.476 0.978 5.098 142 HD22 LEU 22 1HD2 LEU 22 -6.189 2.148 6.222 143 HD23 LEU 22 2HD2 LEU 22 -6.436 2.344 4.486 144 HA PRO 23 HA PRO 23 -7.488 -1.465 -0.744 145 HB3 PRO 23 2HB PRO 23 -5.729 -0.469 -1.744 146 HG3 PRO 23 2HG PRO 23 -4.207 0.819 -0.477 147 HD3 PRO 23 2HD PRO 23 -6.262 1.567 0.421 148 HA PRO 24 HA PRO 24 -7.409 -5.258 1.248 149 HB3 PRO 24 2HB PRO 24 -8.277 -6.002 -0.790 150 HG3 PRO 24 2HG PRO 24 -7.112 -5.590 -2.874 151 HD3 PRO 24 2HD PRO 24 -7.722 -3.546 -1.823 152 H THR 25 H THR 25 -6.248 -7.351 1.852 153 HA THR 25 HA THR 25 -3.323 -7.237 1.532 154 HB THR 25 HB THR 25 -3.238 -7.974 4.030 155 HG1 THR 25 1HG THR 25 -5.405 -8.171 4.518 156 HG21 THR 25 3HG2 THR 25 -4.059 -5.103 3.422 157 HG22 THR 25 1HG2 THR 25 -2.453 -5.773 3.081 158 HG23 THR 25 2HG2 THR 25 -3.044 -5.688 4.749 159 HA PRO 26 HA PRO 26 -3.785 -11.526 0.699 160 HB3 PRO 26 2HB PRO 26 -1.623 -12.111 0.322 161 HG3 PRO 26 2HG PRO 26 -0.346 -10.248 0.608 162 HD3 PRO 26 2HD PRO 26 -1.579 -8.490 1.357 163 H LYS 27 H LYS 27 -4.386 -13.576 1.712 164 HA LYS 27 HA LYS 27 -5.440 -13.253 4.397 165 HB3 LYS 27 2HB LYS 27 -6.858 -14.340 2.800 166 HG3 LYS 27 2HG LYS 27 -4.499 -16.206 2.382 167 HD3 LYS 27 2HD LYS 27 -6.540 -17.458 1.078 168 HE3 LYS 27 2HE LYS 27 -4.824 -18.578 2.421 169 HZ1 LYS 27 3HZ LYS 27 -6.515 -18.116 4.808 170 HZ2 LYS 27 1HZ LYS 27 -5.095 -17.311 4.519 171 HZ3 LYS 27 2HZ LYS 27 -5.114 -18.922 4.733 172 H ASN 28 H ASN 28 -2.879 -12.920 4.960 173 HA ASN 28 HA ASN 28 -2.035 -15.451 6.155 174 HB3 ASN 28 2HB ASN 28 0.307 -14.920 5.411 175 HD21 ASN 28 1HD2 ASN 28 -0.669 -14.291 2.219 176 HD22 ASN 28 2HD2 ASN 28 -1.254 -15.884 1.822 177 H ILE 29 H ILE 29 -1.849 -11.798 5.958 178 HA ILE 29 HA ILE 29 -1.528 -11.707 8.809 179 HB ILE 29 HB ILE 29 0.451 -10.422 8.825 180 HG13 ILE 29 2HG1 ILE 29 1.811 -9.720 7.031 181 HG21 ILE 29 1HG2 ILE 29 2.223 -11.856 8.034 182 HG22 ILE 29 2HG2 ILE 29 0.901 -12.716 8.858 183 HG23 ILE 29 3HG2 ILE 29 1.042 -12.780 7.073 184 HD11 ILE 29 3HD1 ILE 29 1.526 -11.413 5.314 185 HD12 ILE 29 1HD1 ILE 29 -0.159 -10.855 5.031 186 HD13 ILE 29 2HD1 ILE 29 1.210 -9.782 4.729 187 HA PRO 30 HA PRO 30 -3.804 -7.921 7.833 188 HB3 PRO 30 2HB PRO 30 -4.348 -7.835 10.101 189 HG3 PRO 30 2HG PRO 30 -2.741 -8.377 11.780 190 HD3 PRO 30 2HD PRO 30 -2.575 -10.279 10.340 191 H LEU 31 H LEU 31 -3.492 -5.439 7.601 192 HA LEU 31 HA LEU 31 -1.391 -4.772 5.951 193 HB3 LEU 31 2HB LEU 31 -3.147 -2.984 7.639 194 HG LEU 31 HG LEU 31 -2.683 -1.277 5.876 195 HD11 LEU 31 1HD1 LEU 31 -0.301 -1.480 7.710 196 HD12 LEU 31 2HD1 LEU 31 -1.930 -0.931 8.196 197 HD13 LEU 31 3HD1 LEU 31 -1.024 -0.059 6.966 198 HD21 LEU 31 3HD2 LEU 31 -1.284 -2.769 4.366 199 HD22 LEU 31 1HD2 LEU 31 0.067 -2.528 5.484 200 HD23 LEU 31 2HD2 LEU 31 -0.643 -1.150 4.663 201 HA PRO 32 HA PRO 32 1.310 -2.699 9.134 202 HB3 PRO 32 2HB PRO 32 0.244 -1.759 10.910 203 HG3 PRO 32 2HG PRO 32 -1.666 -2.777 11.852 204 HD3 PRO 32 2HD PRO 32 -2.153 -2.758 9.593 205 H ALA 33 H ALA 33 0.421 -6.008 9.087 206 HA ALA 33 HA ALA 33 3.088 -6.877 10.046 207 HB1 ALA 33 1HB ALA 33 0.597 -8.414 9.444 208 HB2 ALA 33 2HB ALA 33 2.177 -9.069 9.966 209 HB3 ALA 33 3HB ALA 33 1.212 -8.040 11.070 210 H PHE 34 H PHE 34 1.021 -6.273 7.255 211 HA PHE 34 HA PHE 34 2.531 -7.881 5.452 212 HB3 PHE 34 2HB PHE 34 0.472 -5.713 4.996 213 HD1 PHE 34 1HD PHE 34 2.273 -8.638 3.362 214 HD2 PHE 34 2HD PHE 34 -0.259 -5.161 2.846 215 HE1 PHE 34 1HE PHE 34 2.558 -8.782 0.946 216 HE2 PHE 34 2HE PHE 34 0.053 -5.322 0.398 217 HZ PHE 34 HZ PHE 34 1.497 -7.094 -0.559 218 H GLY 35 H GLY 35 3.835 -5.389 7.027 219 HA2 GLY 35 1HA GLY 35 5.117 -4.151 4.613 220 HA3 GLY 35 2HA GLY 35 4.374 -3.164 5.850 221 H GLN 36 H GLN 36 5.151 -3.778 8.120 222 HA GLN 36 HA GLN 36 7.803 -2.974 8.503 223 HB3 GLN 36 2HB GLN 36 7.333 -3.394 10.856 224 HG3 GLN 36 2HG GLN 36 4.722 -2.565 9.502 225 HE21 GLN 36 1HE2 GLN 36 3.205 -1.456 10.781 226 HE22 GLN 36 2HE2 GLN 36 3.251 -1.413 12.510 227 H ARG 37 H ARG 37 6.390 -6.310 8.542 228 HA ARG 37 HA ARG 37 9.133 -7.430 8.805 229 HB3 ARG 37 2HB ARG 37 8.073 -9.337 9.774 230 HG3 ARG 37 2HG ARG 37 6.499 -6.980 10.876 231 HD3 ARG 37 2HD ARG 37 7.896 -8.948 12.639 232 HE ARG 37 HE ARG 37 5.885 -6.992 12.925 233 HH11 ARG 37 1HH1 ARG 37 6.570 -10.311 14.209 234 HH12 ARG 37 2HH1 ARG 37 5.616 -10.002 15.618 235 HH21 ARG 37 1HH2 ARG 37 4.234 -7.010 14.530 236 HH22 ARG 37 2HH2 ARG 37 4.437 -8.081 15.892 237 H ILE 38 H ILE 38 7.574 -6.565 6.234 238 HA ILE 38 HA ILE 38 7.967 -9.120 4.725 239 HB ILE 38 HB ILE 38 5.546 -7.322 4.591 240 HG13 ILE 38 2HG1 ILE 38 4.227 -9.191 5.290 241 HG21 ILE 38 1HG2 ILE 38 6.015 -7.948 2.328 242 HG22 ILE 38 2HG2 ILE 38 6.302 -9.642 2.778 243 HG23 ILE 38 3HG2 ILE 38 4.671 -8.940 2.880 244 HD11 ILE 38 3HD1 ILE 38 6.756 -10.869 5.456 245 HD12 ILE 38 1HD1 ILE 38 5.177 -11.291 6.134 246 HD13 ILE 38 2HD1 ILE 38 5.351 -11.128 4.382 247 H ILE 39 H ILE 39 7.231 -5.652 4.362 248 HA ILE 39 HA ILE 39 8.685 -5.408 1.824 249 HB ILE 39 HB ILE 39 7.038 -3.424 3.456 250 HG13 ILE 39 2HG1 ILE 39 5.158 -3.834 1.972 251 HG21 ILE 39 1HG2 ILE 39 8.032 -3.316 0.617 252 HG22 ILE 39 2HG2 ILE 39 6.742 -2.254 1.231 253 HG23 ILE 39 3HG2 ILE 39 8.367 -2.173 1.914 254 HD11 ILE 39 3HD1 ILE 39 5.030 -5.797 0.500 255 HD12 ILE 39 1HD1 ILE 39 6.244 -4.661 -0.105 256 HD13 ILE 39 2HD1 ILE 39 6.747 -6.135 0.765 257 H GLY 40 H GLY 40 9.426 -5.349 5.099 258 HA2 GLY 40 1HA GLY 40 11.257 -4.745 6.290 259 HA3 GLY 40 2HA GLY 40 12.070 -4.450 4.750 260 H TRP 41 H TRP 41 9.412 -2.472 4.839 261 HA TRP 41 HA TRP 41 10.932 -0.132 4.759 262 HB3 TRP 41 2HB TRP 41 8.907 -0.665 3.471 263 HD1 TRP 41 HD TRP 41 7.845 -1.080 7.002 264 HE1 TRP 41 1HE TRP 41 5.389 -1.234 7.238 265 HE3 TRP 41 3HE TRP 41 6.527 0.423 2.267 266 HZ2 TRP 41 2HZ TRP 41 3.008 -1.052 5.472 267 HZ3 TRP 41 3HZ TRP 41 4.169 0.240 1.538 268 HH2 TRP 41 HH TRP 41 2.416 -0.539 3.124 269 H GLY 42 H GLY 42 10.962 -1.365 7.492 270 HA2 GLY 42 1HA GLY 42 11.160 -0.655 9.661 271 HA3 GLY 42 2HA GLY 42 10.951 1.010 9.100 272 H THR 43 H THR 43 9.018 1.961 9.372 273 HA THR 43 HA THR 43 6.542 0.569 9.221 274 HB THR 43 HB THR 43 7.066 -0.278 11.421 275 HG1 THR 43 1HG THR 43 5.166 1.683 12.013 276 HG21 THR 43 3HG2 THR 43 8.649 1.217 12.258 277 HG22 THR 43 1HG2 THR 43 7.293 1.119 13.374 278 HG23 THR 43 2HG2 THR 43 7.480 2.567 12.310 279 H GLY 44 H GLY 44 7.809 2.903 7.943 280 HA2 GLY 44 1HA GLY 44 5.751 4.836 8.123 281 HA3 GLY 44 2HA GLY 44 6.955 5.234 9.346 282 H ALA 45 H ALA 45 7.447 7.093 8.312 283 HA ALA 45 HA ALA 45 7.920 7.372 5.463 284 HB1 ALA 45 1HB ALA 45 7.134 9.263 6.833 285 HB2 ALA 45 2HB ALA 45 8.623 9.225 7.797 286 HB3 ALA 45 3HB ALA 45 8.691 9.657 6.079 287 H GLU 46 H GLU 46 10.298 7.730 8.236 288 HA GLU 46 HA GLU 46 12.583 7.745 6.758 289 HB3 GLU 46 2HB GLU 46 12.061 6.611 9.548 290 HG3 GLU 46 2HG GLU 46 13.811 8.254 10.103 291 H GLY 47 H GLY 47 10.926 4.945 8.313 292 HA2 GLY 47 1HA GLY 47 12.673 2.904 7.613 293 HA3 GLY 47 2HA GLY 47 10.941 2.734 7.816 294 H ALA 48 H ALA 48 9.800 4.046 5.730 295 HA ALA 48 HA ALA 48 10.360 2.302 3.519 296 HB1 ALA 48 1HB ALA 48 8.078 3.085 4.022 297 HB2 ALA 48 2HB ALA 48 8.574 4.759 3.738 298 HB3 ALA 48 3HB ALA 48 8.560 3.592 2.391 299 H ARG 49 H ARG 49 11.874 5.330 4.438 300 HA ARG 49 HA ARG 49 12.665 5.932 1.677 301 HB3 ARG 49 2HB ARG 49 13.451 7.048 4.411 302 HG3 ARG 49 2HG ARG 49 13.964 9.093 2.896 303 HD3 ARG 49 2HD ARG 49 16.095 6.967 2.746 304 HE ARG 49 HE ARG 49 15.987 9.889 3.360 305 HH11 ARG 49 1HH1 ARG 49 18.048 7.047 2.639 306 HH12 ARG 49 2HH1 ARG 49 19.502 7.964 2.583 307 HH21 ARG 49 1HH2 ARG 49 17.962 11.078 3.368 308 HH22 ARG 49 2HH2 ARG 49 19.450 10.290 2.984 309 H GLN 50 H GLN 50 13.900 4.319 4.653 310 HA GLN 50 HA GLN 50 16.554 4.094 3.673 311 HB3 GLN 50 2HB GLN 50 16.656 2.404 5.672 312 HG3 GLN 50 2HG GLN 50 16.541 4.134 7.390 313 HE21 GLN 50 1HE2 GLN 50 17.129 6.778 5.646 314 HE22 GLN 50 2HE2 GLN 50 18.793 6.486 5.137 315 H ARG 51 H ARG 51 13.741 1.902 3.353 316 HA ARG 51 HA ARG 51 15.614 -0.159 2.441 317 HB3 ARG 51 2HB ARG 51 12.581 -0.356 2.418 318 HG3 ARG 51 2HG ARG 51 13.668 -2.419 1.636 319 HD3 ARG 51 2HD ARG 51 15.420 -1.919 3.999 320 HE ARG 51 HE ARG 51 14.242 -4.554 3.540 321 HH11 ARG 51 1HH1 ARG 51 17.284 -2.987 4.351 322 HH12 ARG 51 2HH1 ARG 51 17.756 -4.109 5.590 323 HH21 ARG 51 1HH2 ARG 51 14.873 -6.171 5.150 324 HH22 ARG 51 2HH2 ARG 51 16.427 -6.105 5.860 325 H LEU 52 H LEU 52 13.348 2.060 1.070 326 HA LEU 52 HA LEU 52 12.926 1.109 -1.512 327 HB3 LEU 52 2HB LEU 52 13.085 3.795 -0.166 328 HG LEU 52 HG LEU 52 13.255 4.653 -2.315 329 HD11 LEU 52 1HD1 LEU 52 13.044 2.861 -3.872 330 HD12 LEU 52 2HD1 LEU 52 11.718 3.956 -4.214 331 HD13 LEU 52 3HD1 LEU 52 11.422 2.460 -3.313 332 HD21 LEU 52 3HD2 LEU 52 11.367 5.389 -0.828 333 HD22 LEU 52 1HD2 LEU 52 10.278 4.393 -1.796 334 HD23 LEU 52 2HD2 LEU 52 11.140 5.759 -2.540 335 H GLU 53 H GLU 53 15.291 3.708 -0.610 336 HA GLU 53 HA GLU 53 15.935 4.002 -3.350 337 HB3 GLU 53 2HB GLU 53 17.516 5.701 -2.598 338 HG3 GLU 53 2HG GLU 53 15.137 5.860 -0.722 339 H ASN 54 H ASN 54 16.948 1.554 -1.488 340 HA ASN 54 HA ASN 54 19.321 0.907 -3.132 341 HB3 ASN 54 2HB ASN 54 20.229 1.786 -1.069 342 HD21 ASN 54 1HD2 ASN 54 18.542 2.806 0.223 343 HD22 ASN 54 2HD2 ASN 54 17.702 1.956 1.499 344 H ILE 55 H ILE 55 16.282 0.071 -2.841 345 HA ILE 55 HA ILE 55 16.195 -2.498 -1.747 346 HB ILE 55 HB ILE 55 14.319 -0.865 -2.479 347 HG13 ILE 55 2HG1 ILE 55 14.138 -3.867 -2.764 348 HG21 ILE 55 1HG2 ILE 55 13.326 -1.172 -4.629 349 HG22 ILE 55 2HG2 ILE 55 15.044 -0.743 -4.858 350 HG23 ILE 55 3HG2 ILE 55 14.489 -2.418 -5.080 351 HD11 ILE 55 3HD1 ILE 55 12.775 -3.546 -0.670 352 HD12 ILE 55 1HD1 ILE 55 14.424 -2.929 -0.471 353 HD13 ILE 55 2HD1 ILE 55 13.075 -1.810 -0.763 354 H GLN 56 H GLN 56 16.142 -4.617 -2.881 355 HA GLN 56 HA GLN 56 18.018 -4.698 -5.192 356 HB3 GLN 56 2HB GLN 56 19.240 -6.344 -4.199 357 HG3 GLN 56 2HG GLN 56 19.333 -4.304 -2.657 358 HE21 GLN 56 1HE2 GLN 56 18.194 -3.305 -0.929 359 HE22 GLN 56 2HE2 GLN 56 16.969 -4.217 -0.005 360 HA PRO 57 HA PRO 57 14.986 -7.570 -6.968 361 HB3 PRO 57 2HB PRO 57 16.327 -8.207 -8.684 362 HG3 PRO 57 2HG PRO 57 18.679 -8.283 -8.440 363 HD3 PRO 57 2HD PRO 57 18.087 -6.170 -7.508 364 H ALA 58 H ALA 58 17.397 -8.795 -4.612 365 HA ALA 58 HA ALA 58 15.944 -11.047 -3.755 366 HB1 ALA 58 1HB ALA 58 17.410 -10.895 -1.769 367 HB2 ALA 58 2HB ALA 58 18.349 -10.482 -3.225 368 HB3 ALA 58 3HB ALA 58 17.779 -9.194 -2.141 369 H ASP 59 H ASP 59 15.592 -7.601 -2.797 370 HA ASP 59 HA ASP 59 13.946 -8.295 -0.510 371 HB3 ASP 59 2HB ASP 59 13.459 -5.643 -0.978 372 H VAL 60 H VAL 60 13.304 -8.029 -3.861 373 HA VAL 60 HA VAL 60 10.396 -7.632 -3.302 374 HB VAL 60 HB VAL 60 11.059 -6.293 -5.070 375 HG11 VAL 60 1HG1 VAL 60 12.033 -7.108 -7.178 376 HG12 VAL 60 2HG1 VAL 60 13.154 -7.207 -5.815 377 HG13 VAL 60 3HG1 VAL 60 12.346 -8.664 -6.465 378 HG21 VAL 60 3HG2 VAL 60 8.921 -7.527 -5.366 379 HG22 VAL 60 1HG2 VAL 60 9.681 -7.125 -6.919 380 HG23 VAL 60 2HG2 VAL 60 9.754 -8.773 -6.280 381 H SER 61 H SER 61 12.685 -9.960 -4.833 382 HA SER 61 HA SER 61 10.760 -12.048 -5.022 383 HB3 SER 61 2HB SER 61 12.728 -13.284 -5.807 384 HG SER 61 HG SER 61 13.427 -11.586 -7.371 385 H MET 62 H MET 62 11.252 -10.897 -2.282 386 HA MET 62 HA MET 62 11.554 -13.451 -0.814 387 HB3 MET 62 2HB MET 62 13.071 -11.596 -0.029 388 HG3 MET 62 2HG MET 62 10.532 -10.403 1.111 389 HE1 MET 62 3HE MET 62 13.604 -10.023 3.745 390 HE2 MET 62 1HE MET 62 12.279 -11.115 3.248 391 HE3 MET 62 2HE MET 62 13.840 -11.148 2.404 392 H ILE 63 H ILE 63 9.572 -10.570 -1.572 393 HA ILE 63 HA ILE 63 7.621 -10.935 0.410 394 HB ILE 63 HB ILE 63 7.413 -9.543 -2.319 395 HG13 ILE 63 2HG1 ILE 63 9.368 -8.741 -0.867 396 HG21 ILE 63 1HG2 ILE 63 5.233 -9.815 -1.233 397 HG22 ILE 63 2HG2 ILE 63 5.823 -9.040 0.234 398 HG23 ILE 63 3HG2 ILE 63 5.669 -8.120 -1.280 399 HD11 ILE 63 3HD1 ILE 63 8.361 -7.325 -2.640 400 HD12 ILE 63 1HD1 ILE 63 7.274 -6.621 -1.442 401 HD13 ILE 63 2HD1 ILE 63 9.021 -6.407 -1.266 402 H LYS 64 H LYS 64 7.840 -11.955 -2.934 403 HA LYS 64 HA LYS 64 5.287 -13.122 -3.295 404 HB3 LYS 64 2HB LYS 64 6.466 -14.425 -5.074 405 HG3 LYS 64 2HG LYS 64 6.736 -11.433 -4.738 406 HD3 LYS 64 2HD LYS 64 8.817 -12.410 -6.078 407 HE3 LYS 64 2HE LYS 64 6.457 -12.578 -7.947 408 HZ1 LYS 64 3HZ LYS 64 8.034 -12.072 -9.796 409 HZ2 LYS 64 1HZ LYS 64 9.039 -11.347 -8.739 410 HZ3 LYS 64 2HZ LYS 64 7.536 -10.765 -8.981 411 H LYS 65 H LYS 65 8.053 -14.331 -1.453 412 HA LYS 65 HA LYS 65 6.992 -17.079 -1.348 413 HB3 LYS 65 2HB LYS 65 8.990 -17.393 0.173 414 HG3 LYS 65 2HG LYS 65 8.880 -17.118 -2.629 415 HD3 LYS 65 2HD LYS 65 10.177 -14.975 -2.315 416 HE3 LYS 65 2HE LYS 65 11.572 -15.685 -0.396 417 HZ1 LYS 65 3HZ LYS 65 13.015 -17.488 -2.256 418 HZ2 LYS 65 1HZ LYS 65 12.070 -17.955 -0.967 419 HZ3 LYS 65 2HZ LYS 65 13.417 -17.081 -0.710 420 H GLN 66 H GLN 66 6.220 -14.160 0.193 421 HA GLN 66 HA GLN 66 5.333 -15.646 2.631 422 HB3 GLN 66 2HB GLN 66 4.939 -13.225 3.431 423 HG3 GLN 66 2HG GLN 66 6.772 -14.857 4.195 424 HE21 GLN 66 1HE2 GLN 66 8.550 -11.883 3.163 425 HE22 GLN 66 2HE2 GLN 66 9.724 -12.796 2.223 426 H GLY 67 H GLY 67 4.013 -15.670 -0.179 427 HA2 GLY 67 1HA GLY 67 1.793 -16.047 -0.699 428 HA3 GLY 67 2HA GLY 67 1.350 -15.563 0.940 429 H THR 68 H THR 68 2.983 -13.703 -1.676 430 HA THR 68 HA THR 68 0.741 -11.757 -1.582 431 HB THR 68 HB THR 68 3.716 -11.212 -1.784 432 HG1 THR 68 1HG THR 68 2.887 -11.959 0.280 433 HG21 THR 68 3HG2 THR 68 3.049 -8.835 -1.274 434 HG22 THR 68 1HG2 THR 68 1.349 -9.312 -1.498 435 HG23 THR 68 2HG2 THR 68 2.514 -9.384 -2.849 436 H THR 69 H THR 69 0.559 -10.478 -3.607 437 HA THR 69 HA THR 69 1.784 -11.640 -6.013 438 HB THR 69 HB THR 69 -0.519 -11.333 -7.031 439 HG1 THR 69 1HG THR 69 -2.268 -11.278 -5.669 440 HG21 THR 69 3HG2 THR 69 -0.161 -13.490 -4.901 441 HG22 THR 69 1HG2 THR 69 0.315 -13.574 -6.605 442 HG23 THR 69 2HG2 THR 69 -1.405 -13.510 -6.151 443 H LEU 70 H LEU 70 1.454 -10.169 -7.864 444 HA LEU 70 HA LEU 70 2.354 -7.546 -7.405 445 HB3 LEU 70 2HB LEU 70 1.086 -8.954 -9.792 446 HG LEU 70 HG LEU 70 0.844 -6.514 -10.217 447 HD11 LEU 70 1HD1 LEU 70 2.871 -5.125 -10.481 448 HD12 LEU 70 2HD1 LEU 70 3.864 -6.443 -9.835 449 HD13 LEU 70 3HD1 LEU 70 2.637 -5.614 -8.803 450 HD21 LEU 70 3HD2 LEU 70 1.474 -8.178 -12.011 451 HD22 LEU 70 1HD2 LEU 70 3.175 -7.773 -11.751 452 HD23 LEU 70 2HD2 LEU 70 2.042 -6.536 -12.346 453 H GLU 71 H GLU 71 -0.975 -8.726 -7.971 454 HA GLU 71 HA GLU 71 -2.340 -6.316 -8.165 455 HB3 GLU 71 2HB GLU 71 -4.271 -7.630 -7.540 456 HG3 GLU 71 2HG GLU 71 -2.516 -9.694 -8.841 457 H MET 72 H MET 72 -0.815 -7.550 -5.337 458 HA MET 72 HA MET 72 -2.509 -6.034 -3.437 459 HB3 MET 72 2HB MET 72 0.135 -6.807 -2.429 460 HG3 MET 72 2HG MET 72 -2.014 -6.426 -1.119 461 HE1 MET 72 3HE MET 72 -1.487 -10.242 -1.358 462 HE2 MET 72 1HE MET 72 -3.003 -10.876 -2.007 463 HE3 MET 72 2HE MET 72 -1.889 -10.009 -3.064 464 H ILE 73 H ILE 73 0.716 -5.917 -4.933 465 HA ILE 73 HA ILE 73 1.738 -3.698 -3.470 466 HB ILE 73 HB ILE 73 2.513 -4.840 -6.189 467 HG13 ILE 73 2HG1 ILE 73 4.254 -6.143 -4.877 468 HG21 ILE 73 1HG2 ILE 73 3.571 -2.620 -5.673 469 HG22 ILE 73 2HG2 ILE 73 4.393 -3.401 -4.303 470 HG23 ILE 73 3HG2 ILE 73 4.686 -3.946 -5.949 471 HD11 ILE 73 3HD1 ILE 73 2.425 -5.619 -2.499 472 HD12 ILE 73 1HD1 ILE 73 3.755 -6.787 -2.584 473 HD13 ILE 73 2HD1 ILE 73 4.106 -5.052 -2.654 474 H THR 74 H THR 74 0.160 -3.958 -6.698 475 HA THR 74 HA THR 74 0.373 -1.236 -7.457 476 HB THR 74 HB THR 74 -1.619 -1.928 -8.924 477 HG1 THR 74 1HG THR 74 -2.229 -4.018 -8.888 478 HG21 THR 74 3HG2 THR 74 0.723 -3.880 -8.946 479 HG22 THR 74 1HG2 THR 74 0.809 -2.220 -9.561 480 HG23 THR 74 2HG2 THR 74 -0.288 -3.384 -10.316 481 H ALA 75 H ALA 75 -2.119 -2.886 -5.438 482 HA ALA 75 HA ALA 75 -3.785 -0.493 -5.511 483 HB1 ALA 75 1HB ALA 75 -3.944 -2.873 -3.633 484 HB2 ALA 75 2HB ALA 75 -5.184 -1.617 -3.907 485 HB3 ALA 75 3HB ALA 75 -4.744 -2.716 -5.225 486 H TRP 76 H TRP 76 -1.314 -1.746 -3.273 487 HA TRP 76 HA TRP 76 -1.803 0.323 -1.275 488 HB3 TRP 76 2HB TRP 76 0.563 -0.434 -0.516 489 HD1 TRP 76 HD TRP 76 -1.203 -3.712 -1.065 490 HE1 TRP 76 1HE TRP 76 -2.865 -4.217 0.778 491 HE3 TRP 76 3HE TRP 76 -0.994 0.729 1.414 492 HZ2 TRP 76 2HZ TRP 76 -4.041 -2.855 3.021 493 HZ3 TRP 76 3HZ TRP 76 -2.331 1.052 3.505 494 HH2 TRP 76 HH TRP 76 -3.986 -0.661 4.186 495 H GLN 77 H GLN 77 0.304 0.006 -4.133 496 HA GLN 77 HA GLN 77 1.925 2.285 -3.731 497 HB3 GLN 77 2HB GLN 77 0.837 0.953 -6.252 498 HG3 GLN 77 2HG GLN 77 3.123 2.938 -5.981 499 HE21 GLN 77 1HE2 GLN 77 3.645 3.519 -8.500 500 HE22 GLN 77 2HE2 GLN 77 4.178 2.097 -9.382 501 H ASP 78 H ASP 78 -0.974 1.975 -5.796 502 HA ASP 78 HA ASP 78 -1.117 4.709 -6.284 503 HB3 ASP 78 2HB ASP 78 -3.750 3.387 -6.414 504 H PHE 79 H PHE 79 -2.790 2.889 -3.645 505 HA PHE 79 HA PHE 79 -4.431 4.996 -2.709 506 HB3 PHE 79 2HB PHE 79 -2.909 2.880 -1.136 507 HD1 PHE 79 2HD PHE 79 -2.296 4.350 0.762 508 HD2 PHE 79 1HD PHE 79 -6.404 3.934 -0.489 509 HE1 PHE 79 2HE PHE 79 -3.040 5.423 2.867 510 HE2 PHE 79 1HE PHE 79 -7.140 4.949 1.700 511 HZ PHE 79 HZ PHE 79 -5.488 5.652 3.349 512 H TYR 80 H TYR 80 -0.965 4.324 -1.958 513 HA TYR 80 HA TYR 80 -0.792 6.625 -0.212 514 HB3 TYR 80 2HB TYR 80 1.696 6.174 -0.457 515 HD1 TYR 80 1HD TYR 80 -0.120 5.996 1.841 516 HD2 TYR 80 2HD TYR 80 1.830 2.886 -0.394 517 HE1 TYR 80 1HE TYR 80 -0.418 4.468 3.749 518 HE2 TYR 80 2HE TYR 80 1.508 1.315 1.484 519 HH TYR 80 HH TYR 80 0.094 1.032 3.513 520 H GLU 81 H GLU 81 -0.173 6.112 -3.709 521 HA GLU 81 HA GLU 81 0.984 8.707 -4.233 522 HB3 GLU 81 2HB GLU 81 0.169 8.268 -6.568 523 HG3 GLU 81 2HG GLU 81 1.602 5.894 -5.320 524 H GLN 82 H GLN 82 -2.309 7.566 -4.021 525 HA GLN 82 HA GLN 82 -3.482 10.081 -4.891 526 HB3 GLN 82 2HB GLN 82 -5.644 9.077 -4.074 527 HG3 GLN 82 2HG GLN 82 -5.986 7.531 -5.768 528 HE21 GLN 82 1HE2 GLN 82 -3.067 7.619 -7.356 529 HE22 GLN 82 2HE2 GLN 82 -3.255 9.136 -8.258 530 H GLU 83 H GLU 83 -2.495 8.864 -1.734 531 HA GLU 83 HA GLU 83 -4.207 10.850 -0.412 532 HB3 GLU 83 2HB GLU 83 -3.511 8.425 0.336 533 HG3 GLU 83 2HG GLU 83 -1.025 9.431 0.781 534 H GLN 84 H GLN 84 -1.082 10.827 -1.789 535 HA GLN 84 HA GLN 84 0.161 12.848 -0.162 536 HB3 GLN 84 2HB GLN 84 1.493 13.092 -2.456 537 HG3 GLN 84 2HG GLN 84 1.422 10.657 -0.646 538 HE21 GLN 84 1HE2 GLN 84 1.738 9.005 -2.088 539 HE22 GLN 84 2HE2 GLN 84 3.057 8.912 -3.247 540 H GLN 85 H GLN 85 -1.875 13.041 -3.128 541 HA GLN 85 HA GLN 85 -1.425 15.750 -3.661 542 HB3 GLN 85 2HB GLN 85 -2.645 14.043 -5.098 543 HG3 GLN 85 2HG GLN 85 -5.158 15.089 -3.739 544 HE21 GLN 85 1HE2 GLN 85 -4.790 11.773 -4.485 545 HE22 GLN 85 2HE2 GLN 85 -5.298 11.800 -6.152 546 H ARG 86 H ARG 86 -3.630 14.306 -1.326 547 HA ARG 86 HA ARG 86 -5.031 16.851 -0.873 548 HB3 ARG 86 2HB ARG 86 -6.348 14.810 -0.857 549 HG3 ARG 86 2HG ARG 86 -4.620 13.965 1.523 550 HD3 ARG 86 2HD ARG 86 -6.226 11.850 0.784 551 HE ARG 86 HE ARG 86 -5.980 12.048 3.002 552 HH11 ARG 86 1HH1 ARG 86 -8.237 14.618 2.007 553 HH12 ARG 86 2HH1 ARG 86 -8.333 15.295 3.600 554 HH21 ARG 86 1HH2 ARG 86 -6.183 12.892 5.076 555 HH22 ARG 86 2HH2 ARG 86 -7.309 14.175 5.401 556 H ASN 87 H ASN 87 -2.246 15.298 0.501 557 HA ASN 87 HA ASN 87 -2.006 17.599 2.126 558 HB3 ASN 87 2HB ASN 87 -2.880 16.657 3.951 559 HD21 ASN 87 1HD2 ASN 87 -1.146 13.840 2.521 560 HD22 ASN 87 2HD2 ASN 87 -2.211 12.630 3.205 561 H GLU 88 H GLU 88 -0.184 18.241 1.122 562 HA GLU 88 HA GLU 88 1.884 16.664 0.028 563 HB3 GLU 88 2HB GLU 88 3.210 18.845 0.380 564 HG3 GLU 88 2HG GLU 88 0.601 18.678 -1.087 565 H ASN 89 H ASN 89 1.243 17.812 3.220 566 HA ASN 89 HA ASN 89 3.790 17.622 4.388 567 HB3 ASN 89 2HB ASN 89 2.644 18.299 6.381 568 HD21 ASN 89 1HD2 ASN 89 3.462 20.198 4.846 569 HD22 ASN 89 2HD2 ASN 89 2.182 21.231 4.264 570 H ASN 90 H ASN 90 2.513 14.979 3.220 571 HA ASN 90 HA ASN 90 2.758 13.262 5.643 572 HB3 ASN 90 2HB ASN 90 1.127 11.949 3.721 573 HD21 ASN 90 1HD2 ASN 90 -0.565 10.954 4.859 574 HD22 ASN 90 2HD2 ASN 90 -0.988 11.368 6.514 575 HA PRO 91 HA PRO 91 6.046 11.972 2.743 576 HB3 PRO 91 2HB PRO 91 7.634 13.053 4.061 577 HG3 PRO 91 2HG PRO 91 7.306 13.319 6.397 578 HD3 PRO 91 2HD PRO 91 5.395 14.200 5.397 579 H THR 92 H THR 92 4.336 10.243 5.340 580 HA THR 92 HA THR 92 5.846 7.817 5.189 581 HB THR 92 HB THR 92 2.917 8.166 5.897 582 HG1 THR 92 1HG THR 92 3.948 9.343 7.284 583 HG21 THR 92 3HG2 THR 92 4.815 5.870 6.301 584 HG22 THR 92 1HG2 THR 92 3.234 5.907 5.466 585 HG23 THR 92 2HG2 THR 92 3.297 6.080 7.212 586 H ALA 93 H ALA 93 2.696 8.661 3.666 587 HA ALA 93 HA ALA 93 2.517 6.522 1.896 588 HB1 ALA 93 1HB ALA 93 1.049 8.104 0.624 589 HB2 ALA 93 2HB ALA 93 0.715 8.099 2.361 590 HB3 ALA 93 3HB ALA 93 1.628 9.438 1.631 591 H LYS 94 H LYS 94 4.142 9.681 1.436 592 HA LYS 94 HA LYS 94 4.822 9.472 -1.222 593 HB3 LYS 94 2HB LYS 94 6.673 10.657 0.890 594 HG3 LYS 94 2HG LYS 94 6.239 10.955 -2.032 595 HD3 LYS 94 2HD LYS 94 5.339 13.069 -1.144 596 HE3 LYS 94 2HE LYS 94 8.172 13.414 -0.075 597 HZ1 LYS 94 3HZ LYS 94 7.378 15.754 0.313 598 HZ2 LYS 94 1HZ LYS 94 6.155 15.471 -0.758 599 HZ3 LYS 94 2HZ LYS 94 7.717 15.404 -1.244 600 H TYR 95 H TYR 95 6.898 8.251 1.437 601 HA TYR 95 HA TYR 95 8.660 6.962 -0.500 602 HB3 TYR 95 2HB TYR 95 9.583 5.850 1.542 603 HD1 TYR 95 1HD TYR 95 11.118 7.401 0.120 604 HD2 TYR 95 2HD TYR 95 8.794 8.742 3.501 605 HE1 TYR 95 1HE TYR 95 12.544 9.429 0.308 606 HE2 TYR 95 2HE TYR 95 10.160 10.779 3.640 607 HH TYR 95 HH TYR 95 11.486 12.125 2.262 608 H ARG 96 H ARG 96 5.855 5.741 1.523 609 HA ARG 96 HA ARG 96 6.302 3.002 0.932 610 HB3 ARG 96 2HB ARG 96 3.870 2.676 1.348 611 HG3 ARG 96 2HG ARG 96 5.012 4.525 3.416 612 HD3 ARG 96 2HD ARG 96 3.113 2.194 3.665 613 HE ARG 96 HE ARG 96 4.876 3.169 5.596 614 HH11 ARG 96 1HH1 ARG 96 1.332 2.562 5.342 615 HH12 ARG 96 2HH1 ARG 96 1.150 2.489 7.077 616 HH21 ARG 96 1HH2 ARG 96 4.450 3.095 7.971 617 HH22 ARG 96 2HH2 ARG 96 2.833 2.722 8.453 618 H ALA 97 H ALA 97 4.428 5.419 -0.951 619 HA ALA 97 HA ALA 97 3.437 3.729 -3.019 620 HB1 ALA 97 1HB ALA 97 2.637 6.014 -2.879 621 HB2 ALA 97 2HB ALA 97 4.289 6.673 -2.907 622 HB3 ALA 97 3HB ALA 97 3.622 5.900 -4.347 623 H ARG 98 H ARG 98 6.327 5.844 -2.973 624 HA ARG 98 HA ARG 98 7.406 4.891 -5.341 625 HB3 ARG 98 2HB ARG 98 9.621 5.817 -4.153 626 HG3 ARG 98 2HG ARG 98 7.176 7.529 -4.783 627 HD3 ARG 98 2HD ARG 98 10.060 8.153 -4.207 628 HE ARG 98 HE ARG 98 8.455 9.917 -6.017 629 HH11 ARG 98 1HH1 ARG 98 11.545 8.120 -5.563 630 HH12 ARG 98 2HH1 ARG 98 12.310 9.019 -6.836 631 HH21 ARG 98 1HH2 ARG 98 9.404 10.535 -8.054 632 HH22 ARG 98 2HH2 ARG 98 10.979 9.909 -8.446 633 H LEU 99 H LEU 99 7.595 3.369 -2.215 634 HA LEU 99 HA LEU 99 9.685 1.482 -2.903 635 HB3 LEU 99 2HB LEU 99 7.647 0.792 -0.800 636 HG LEU 99 HG LEU 99 10.674 0.870 -1.039 637 HD11 LEU 99 1HD1 LEU 99 8.968 0.402 1.450 638 HD12 LEU 99 2HD1 LEU 99 10.028 1.799 1.172 639 HD13 LEU 99 3HD1 LEU 99 10.730 0.187 1.375 640 HD21 LEU 99 3HD2 LEU 99 9.838 -1.155 -1.867 641 HD22 LEU 99 1HD2 LEU 99 8.858 -1.390 -0.386 642 HD23 LEU 99 2HD2 LEU 99 10.635 -1.436 -0.315 643 H MET 100 H MET 100 6.103 1.235 -2.646 644 HA MET 100 HA MET 100 5.829 -1.391 -3.628 645 HB3 MET 100 2HB MET 100 3.546 -0.637 -4.271 646 HG3 MET 100 2HG MET 100 2.829 -0.056 -1.947 647 HE1 MET 100 3HE MET 100 2.619 -1.867 0.067 648 HE2 MET 100 1HE MET 100 3.467 -3.435 0.047 649 HE3 MET 100 2HE MET 100 4.401 -1.928 0.281 650 H LYS 101 H LYS 101 5.995 1.748 -5.365 651 HA LYS 101 HA LYS 101 5.620 0.915 -8.003 652 HB3 LYS 101 2HB LYS 101 7.619 3.048 -7.071 653 HG3 LYS 101 2HG LYS 101 6.302 4.199 -9.074 654 HD3 LYS 101 2HD LYS 101 7.816 3.223 -10.829 655 HE3 LYS 101 2HE LYS 101 9.487 4.031 -8.465 656 HZ1 LYS 101 3HZ LYS 101 10.528 5.370 -10.110 657 HZ2 LYS 101 1HZ LYS 101 9.267 5.199 -11.172 658 HZ3 LYS 101 2HZ LYS 101 10.257 3.936 -10.864 659 H LYS 102 H LYS 102 8.752 1.193 -6.335 660 HA LYS 102 HA LYS 102 10.170 -0.036 -8.501 661 HB3 LYS 102 2HB LYS 102 11.218 -0.252 -5.704 662 HG3 LYS 102 2HG LYS 102 12.323 0.274 -8.473 663 HD3 LYS 102 2HD LYS 102 13.726 0.821 -5.835 664 HE3 LYS 102 2HE LYS 102 14.756 0.390 -8.674 665 HZ1 LYS 102 3HZ LYS 102 15.975 2.090 -7.430 666 HZ2 LYS 102 1HZ LYS 102 16.914 0.818 -7.828 667 HZ3 LYS 102 2HZ LYS 102 16.402 0.998 -6.289 668 H ILE 103 H ILE 103 8.548 -1.410 -5.652 669 HA ILE 103 HA ILE 103 9.654 -3.944 -5.909 670 HB ILE 103 HB ILE 103 7.010 -2.930 -4.813 671 HG13 ILE 103 2HG1 ILE 103 9.431 -2.733 -3.733 672 HG21 ILE 103 1HG2 ILE 103 6.453 -5.099 -3.867 673 HG22 ILE 103 2HG2 ILE 103 6.535 -5.246 -5.619 674 HG23 ILE 103 3HG2 ILE 103 7.881 -5.823 -4.625 675 HD11 ILE 103 3HD1 ILE 103 7.659 -2.048 -2.322 676 HD12 ILE 103 1HD1 ILE 103 6.987 -3.698 -2.199 677 HD13 ILE 103 2HD1 ILE 103 8.553 -3.307 -1.463 678 H ALA 104 H ALA 104 6.726 -2.584 -7.531 679 HA ALA 104 HA ALA 104 6.236 -4.916 -9.113 680 HB1 ALA 104 1HB ALA 104 4.549 -3.182 -8.657 681 HB2 ALA 104 2HB ALA 104 5.504 -2.001 -9.593 682 HB3 ALA 104 3HB ALA 104 4.776 -3.407 -10.405 683 H ASP 105 H ASP 105 8.592 -2.452 -9.418 684 HA ASP 105 HA ASP 105 9.073 -2.428 -12.278 685 HB3 ASP 105 2HB ASP 105 11.147 -1.925 -10.108 686 H LEU 106 H LEU 106 10.538 -4.047 -9.507 687 HA LEU 106 HA LEU 106 12.190 -5.831 -11.181 688 HB3 LEU 106 2HB LEU 106 13.280 -6.285 -8.954 689 HG LEU 106 HG LEU 106 12.990 -3.324 -9.657 690 HD11 LEU 106 1HD1 LEU 106 14.978 -3.010 -8.227 691 HD12 LEU 106 2HD1 LEU 106 14.851 -4.708 -7.697 692 HD13 LEU 106 3HD1 LEU 106 13.549 -3.550 -7.326 693 HD21 LEU 106 3HD2 LEU 106 14.078 -4.619 -11.427 694 HD22 LEU 106 1HD2 LEU 106 15.179 -5.367 -10.252 695 HD23 LEU 106 2HD2 LEU 106 15.271 -3.624 -10.598 696 H TRP 107 H TRP 107 9.168 -6.118 -10.602 697 HA TRP 107 HA TRP 107 8.919 -8.622 -9.290 698 HB3 TRP 107 2HB TRP 107 7.018 -7.860 -11.508 699 HD1 TRP 107 HD TRP 107 5.176 -9.705 -11.263 700 HE1 TRP 107 1HE TRP 107 3.953 -10.854 -9.416 701 HE3 TRP 107 3HE TRP 107 7.372 -7.303 -7.353 702 HZ2 TRP 107 2HZ TRP 107 3.780 -10.666 -6.536 703 HZ3 TRP 107 3HZ TRP 107 6.497 -7.691 -5.030 704 HH2 TRP 107 HH TRP 107 4.711 -9.350 -4.618 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -22.750 2.722 11.936 2 HA2 GLY 1 1HA GLY 1 -22.095 0.830 13.322 3 HA3 GLY 1 2HA GLY 1 -23.762 0.631 12.753 4 H THR 2 H THR 2 -23.401 -1.785 13.051 5 HA THR 2 HA THR 2 -22.025 -2.966 10.722 6 HB THR 2 HB THR 2 -21.594 -4.092 13.496 7 HG1 THR 2 1HG THR 2 -19.747 -3.026 13.768 8 HG21 THR 2 3HG2 THR 2 -20.919 -5.488 11.585 9 HG22 THR 2 1HG2 THR 2 -19.504 -4.975 12.502 10 HG23 THR 2 2HG2 THR 2 -19.900 -4.173 10.961 11 H ASP 3 H ASP 3 -22.850 -5.085 10.262 12 HA ASP 3 HA ASP 3 -24.142 -6.510 12.293 13 HB3 ASP 3 2HB ASP 3 -26.191 -5.530 11.292 14 H PHE 4 H PHE 4 -24.594 -8.871 11.116 15 HA PHE 4 HA PHE 4 -22.329 -9.382 9.258 16 HB3 PHE 4 2HB PHE 4 -22.792 -11.010 11.761 17 HD1 PHE 4 1HD PHE 4 -19.729 -9.492 10.282 18 HD2 PHE 4 2HD PHE 4 -21.920 -13.143 11.017 19 HE1 PHE 4 1HE PHE 4 -17.781 -10.813 9.580 20 HE2 PHE 4 2HE PHE 4 -19.975 -14.462 10.264 21 HZ PHE 4 HZ PHE 4 -17.887 -13.320 9.547 22 H GLY 5 H GLY 5 -25.322 -9.312 8.978 23 HA2 GLY 5 1HA GLY 5 -26.369 -12.004 9.089 24 HA3 GLY 5 2HA GLY 5 -27.106 -10.604 8.291 25 H THR 6 H THR 6 -26.197 -9.961 6.179 26 HA THR 6 HA THR 6 -24.924 -12.107 4.579 27 HB THR 6 HB THR 6 -27.170 -12.691 4.471 28 HG1 THR 6 1HG THR 6 -26.993 -11.099 2.179 29 HG21 THR 6 3HG2 THR 6 -29.033 -11.201 3.767 30 HG22 THR 6 1HG2 THR 6 -27.951 -9.798 4.001 31 HG23 THR 6 2HG2 THR 6 -28.388 -10.827 5.366 32 H THR 7 H THR 7 -23.259 -10.412 5.099 33 HA THR 7 HA THR 7 -23.657 -7.737 4.151 34 HB THR 7 HB THR 7 -22.468 -8.524 6.211 35 HG1 THR 7 1HG THR 7 -22.159 -6.451 5.681 36 HG21 THR 7 3HG2 THR 7 -20.116 -9.103 4.364 37 HG22 THR 7 1HG2 THR 7 -21.093 -10.318 5.205 38 HG23 THR 7 2HG2 THR 7 -20.129 -9.160 6.136 39 H ASN 8 H ASN 8 -23.418 -10.068 2.002 40 HA ASN 8 HA ASN 8 -21.123 -8.932 0.444 41 HB3 ASN 8 2HB ASN 8 -20.357 -10.821 1.757 42 HD21 ASN 8 1HD2 ASN 8 -21.156 -12.543 3.032 43 HD22 ASN 8 2HD2 ASN 8 -22.439 -13.601 2.443 44 H ASN 9 H ASN 9 -24.262 -8.974 0.066 45 HA ASN 9 HA ASN 9 -24.146 -9.845 -2.780 46 HB3 ASN 9 2HB ASN 9 -26.459 -10.846 -2.464 47 HD21 ASN 9 1HD2 ASN 9 -23.923 -11.893 -3.401 48 HD22 ASN 9 2HD2 ASN 9 -24.003 -13.530 -2.771 49 H PHE 10 H PHE 10 -23.952 -7.089 -2.234 50 HA PHE 10 HA PHE 10 -26.243 -6.336 -3.825 51 HB3 PHE 10 2HB PHE 10 -26.550 -4.181 -2.330 52 HD1 PHE 10 1HD PHE 10 -28.543 -5.286 -3.765 53 HD2 PHE 10 2HD PHE 10 -27.508 -6.236 0.295 54 HE1 PHE 10 1HE PHE 10 -30.883 -5.991 -3.341 55 HE2 PHE 10 2HE PHE 10 -29.848 -6.918 0.742 56 HZ PHE 10 HZ PHE 10 -31.553 -6.788 -1.076 57 H VAL 11 H VAL 11 -25.966 -4.149 -4.746 58 HA VAL 11 HA VAL 11 -23.243 -3.359 -5.265 59 HB VAL 11 HB VAL 11 -25.174 -3.283 -6.840 60 HG11 VAL 11 1HG1 VAL 11 -26.076 -0.810 -5.323 61 HG12 VAL 11 2HG1 VAL 11 -26.767 -1.447 -6.822 62 HG13 VAL 11 3HG1 VAL 11 -26.916 -2.370 -5.320 63 HG21 VAL 11 3HG2 VAL 11 -24.510 -1.394 -8.063 64 HG22 VAL 11 1HG2 VAL 11 -23.948 -0.528 -6.635 65 HG23 VAL 11 2HG2 VAL 11 -23.068 -1.963 -7.212 66 H SER 12 H SER 12 -22.974 -0.785 -5.104 67 HA SER 12 HA SER 12 -23.512 0.114 -2.334 68 HB3 SER 12 2HB SER 12 -21.248 1.434 -2.847 69 HG SER 12 HG SER 12 -20.845 -1.283 -2.291 70 HA PRO 13 HA PRO 13 -25.236 3.748 -4.145 71 HB3 PRO 13 2HB PRO 13 -25.490 4.653 -2.032 72 HG3 PRO 13 2HG PRO 13 -23.831 4.395 -0.378 73 HD3 PRO 13 2HD PRO 13 -24.323 2.216 -1.182 74 H ASN 14 H ASN 14 -24.739 5.898 -5.074 75 HA ASN 14 HA ASN 14 -22.651 5.741 -7.028 76 HB3 ASN 14 2HB ASN 14 -23.410 8.203 -7.448 77 HD21 ASN 14 1HD2 ASN 14 -23.234 5.949 -9.031 78 HD22 ASN 14 2HD2 ASN 14 -24.810 5.601 -9.705 79 H LEU 15 H LEU 15 -20.716 5.596 -6.035 80 HA LEU 15 HA LEU 15 -19.790 7.470 -4.029 81 HB3 LEU 15 2HB LEU 15 -18.094 5.465 -5.557 82 HG LEU 15 HG LEU 15 -17.576 7.239 -3.334 83 HD11 LEU 15 1HD1 LEU 15 -17.072 5.759 -1.514 84 HD12 LEU 15 2HD1 LEU 15 -17.515 4.324 -2.470 85 HD13 LEU 15 3HD1 LEU 15 -18.757 5.499 -1.976 86 HD21 LEU 15 3HD2 LEU 15 -15.832 6.557 -4.920 87 HD22 LEU 15 1HD2 LEU 15 -15.948 4.877 -4.368 88 HD23 LEU 15 2HD2 LEU 15 -15.363 6.150 -3.269 89 H GLN 16 H GLN 16 -20.515 8.975 -6.331 90 HA GLN 16 HA GLN 16 -18.179 9.373 -8.036 91 HB3 GLN 16 2HB GLN 16 -19.555 10.824 -9.327 92 HG3 GLN 16 2HG GLN 16 -21.411 8.616 -8.350 93 HE21 GLN 16 1HE2 GLN 16 -23.299 9.960 -9.393 94 HE22 GLN 16 2HE2 GLN 16 -23.349 9.926 -11.132 95 H LEU 17 H LEU 17 -17.681 9.926 -5.251 96 HA LEU 17 HA LEU 17 -16.941 12.778 -5.173 97 HB3 LEU 17 2HB LEU 17 -18.843 13.195 -4.106 98 HG LEU 17 HG LEU 17 -20.021 11.039 -4.361 99 HD11 LEU 17 1HD1 LEU 17 -20.010 9.379 -2.534 100 HD12 LEU 17 2HD1 LEU 17 -18.660 10.235 -1.757 101 HD13 LEU 17 3HD1 LEU 17 -18.432 9.448 -3.325 102 HD21 LEU 17 3HD2 LEU 17 -20.200 12.239 -1.585 103 HD22 LEU 17 1HD2 LEU 17 -21.466 11.307 -2.409 104 HD23 LEU 17 2HD2 LEU 17 -20.965 12.874 -3.055 105 H LYS 18 H LYS 18 -14.754 12.434 -5.010 106 HA LYS 18 HA LYS 18 -13.631 10.308 -3.343 107 HB3 LYS 18 2HB LYS 18 -11.451 11.354 -3.863 108 HG3 LYS 18 2HG LYS 18 -12.899 11.301 -6.491 109 HD3 LYS 18 2HD LYS 18 -10.257 11.339 -6.055 110 HE3 LYS 18 2HE LYS 18 -11.035 8.382 -6.062 111 HZ1 LYS 18 3HZ LYS 18 -8.317 9.516 -5.908 112 HZ2 LYS 18 1HZ LYS 18 -8.975 9.057 -7.314 113 HZ3 LYS 18 2HZ LYS 18 -8.738 7.939 -6.137 114 H GLN 19 H GLN 19 -13.878 10.501 -1.150 115 HA GLN 19 HA GLN 19 -13.167 13.099 0.135 116 HB3 GLN 19 2HB GLN 19 -14.184 12.057 2.163 117 HG3 GLN 19 2HG GLN 19 -15.893 12.326 -0.344 118 HE21 GLN 19 1HE2 GLN 19 -16.949 10.250 0.009 119 HE22 GLN 19 2HE2 GLN 19 -18.263 10.231 1.182 120 H ASN 20 H ASN 20 -12.109 12.349 2.444 121 HA ASN 20 HA ASN 20 -9.549 11.110 1.807 122 HB3 ASN 20 2HB ASN 20 -10.555 11.993 4.535 123 HD21 ASN 20 1HD2 ASN 20 -8.987 9.884 4.959 124 HD22 ASN 20 2HD2 ASN 20 -7.281 10.235 4.847 125 H VAL 21 H VAL 21 -9.997 9.052 1.384 126 HA VAL 21 HA VAL 21 -10.759 7.314 3.674 127 HB VAL 21 HB VAL 21 -12.715 7.506 2.272 128 HG11 VAL 21 1HG1 VAL 21 -10.969 6.585 -0.044 129 HG12 VAL 21 2HG1 VAL 21 -12.744 6.695 -0.072 130 HG13 VAL 21 3HG1 VAL 21 -11.783 8.154 0.148 131 HG21 VAL 21 3HG2 VAL 21 -12.210 5.332 3.339 132 HG22 VAL 21 1HG2 VAL 21 -13.185 5.189 1.870 133 HG23 VAL 21 2HG2 VAL 21 -11.456 4.793 1.820 134 H LEU 22 H LEU 22 -9.584 5.290 3.717 135 HA LEU 22 HA LEU 22 -6.966 5.596 2.395 136 HB3 LEU 22 2HB LEU 22 -6.560 3.371 3.733 137 HG LEU 22 HG LEU 22 -7.040 5.950 5.285 138 HD11 LEU 22 1HD1 LEU 22 -7.009 4.107 6.822 139 HD12 LEU 22 2HD1 LEU 22 -5.404 4.827 6.896 140 HD13 LEU 22 3HD1 LEU 22 -5.657 3.322 5.995 141 HD21 LEU 22 3HD2 LEU 22 -5.277 6.181 3.520 142 HD22 LEU 22 1HD2 LEU 22 -4.449 4.757 4.194 143 HD23 LEU 22 2HD2 LEU 22 -4.621 6.245 5.146 144 HA PRO 23 HA PRO 23 -7.842 2.456 -0.656 145 HB3 PRO 23 2HB PRO 23 -5.845 2.792 -1.686 146 HG3 PRO 23 2HG PRO 23 -3.971 3.577 -0.463 147 HD3 PRO 23 2HD PRO 23 -5.724 4.969 0.294 148 HA PRO 24 HA PRO 24 -8.583 -1.191 1.642 149 HB3 PRO 24 2HB PRO 24 -9.964 -1.791 -0.084 150 HG3 PRO 24 2HG PRO 24 -9.398 -1.434 -2.319 151 HD3 PRO 24 2HD PRO 24 -8.820 0.638 -1.507 152 H THR 25 H THR 25 -7.925 -3.554 2.058 153 HA THR 25 HA THR 25 -5.033 -4.017 1.766 154 HB THR 25 HB THR 25 -5.612 -4.604 4.467 155 HG1 THR 25 1HG THR 25 -6.280 -2.529 5.230 156 HG21 THR 25 3HG2 THR 25 -3.515 -3.703 3.613 157 HG22 THR 25 1HG2 THR 25 -4.098 -2.714 4.953 158 HG23 THR 25 2HG2 THR 25 -4.280 -2.140 3.276 159 HA PRO 26 HA PRO 26 -6.402 -8.146 1.315 160 HB3 PRO 26 2HB PRO 26 -4.231 -8.817 0.779 161 HG3 PRO 26 2HG PRO 26 -2.417 -7.814 1.857 162 HD3 PRO 26 2HD PRO 26 -3.528 -5.779 1.696 163 H LYS 27 H LYS 27 -7.502 -9.731 2.425 164 HA LYS 27 HA LYS 27 -8.304 -9.105 5.132 165 HB3 LYS 27 2HB LYS 27 -10.004 -9.749 3.571 166 HG3 LYS 27 2HG LYS 27 -8.328 -12.260 3.166 167 HD3 LYS 27 2HD LYS 27 -11.256 -11.814 2.464 168 HE3 LYS 27 2HE LYS 27 -9.254 -14.007 1.830 169 HZ1 LYS 27 3HZ LYS 27 -11.219 -15.123 0.880 170 HZ2 LYS 27 1HZ LYS 27 -12.200 -14.121 1.734 171 HZ3 LYS 27 2HZ LYS 27 -11.192 -15.128 2.548 172 H ASN 28 H ASN 28 -5.891 -9.461 5.716 173 HA ASN 28 HA ASN 28 -5.650 -12.134 6.875 174 HB3 ASN 28 2HB ASN 28 -3.169 -12.028 6.367 175 HD21 ASN 28 1HD2 ASN 28 -3.914 -11.263 3.126 176 HD22 ASN 28 2HD2 ASN 28 -4.810 -12.707 2.704 177 H ILE 29 H ILE 29 -4.490 -8.665 6.747 178 HA ILE 29 HA ILE 29 -4.361 -8.524 9.640 179 HB ILE 29 HB ILE 29 -2.059 -7.952 9.714 180 HG13 ILE 29 2HG1 ILE 29 -0.501 -7.812 7.914 181 HG21 ILE 29 1HG2 ILE 29 -0.841 -9.913 9.007 182 HG22 ILE 29 2HG2 ILE 29 -2.413 -10.337 9.740 183 HG23 ILE 29 3HG2 ILE 29 -2.168 -10.407 7.968 184 HD11 ILE 29 3HD1 ILE 29 -2.737 -8.148 5.881 185 HD12 ILE 29 1HD1 ILE 29 -1.039 -7.768 5.620 186 HD13 ILE 29 2HD1 ILE 29 -1.459 -9.359 6.202 187 HA PRO 30 HA PRO 30 -5.264 -4.315 8.325 188 HB3 PRO 30 2HB PRO 30 -5.891 -3.956 10.537 189 HG3 PRO 30 2HG PRO 30 -4.577 -4.764 12.344 190 HD3 PRO 30 2HD PRO 30 -4.760 -6.750 11.103 191 H LEU 31 H LEU 31 -4.273 -2.215 7.773 192 HA LEU 31 HA LEU 31 -2.017 -2.060 6.397 193 HB3 LEU 31 2HB LEU 31 -3.263 0.143 8.055 194 HG LEU 31 HG LEU 31 -2.558 1.608 6.150 195 HD11 LEU 31 1HD1 LEU 31 -0.565 2.419 7.084 196 HD12 LEU 31 2HD1 LEU 31 -0.178 0.879 7.867 197 HD13 LEU 31 3HD1 LEU 31 -1.572 1.850 8.409 198 HD21 LEU 31 3HD2 LEU 31 -1.719 -0.182 4.625 199 HD22 LEU 31 1HD2 LEU 31 -0.294 -0.371 5.668 200 HD23 LEU 31 2HD2 LEU 31 -0.599 1.166 4.838 201 HA PRO 32 HA PRO 32 1.064 -0.729 9.719 202 HB3 PRO 32 2HB PRO 32 0.086 0.526 11.378 203 HG3 PRO 32 2HG PRO 32 -1.998 -0.139 12.384 204 HD3 PRO 32 2HD PRO 32 -2.261 0.171 10.033 205 H ALA 33 H ALA 33 -0.542 -3.678 9.522 206 HA ALA 33 HA ALA 33 1.906 -5.123 10.443 207 HB1 ALA 33 1HB ALA 33 -0.071 -5.924 11.587 208 HB2 ALA 33 2HB ALA 33 -0.927 -6.101 10.045 209 HB3 ALA 33 3HB ALA 33 0.488 -7.126 10.401 210 H PHE 34 H PHE 34 -0.480 -4.606 7.842 211 HA PHE 34 HA PHE 34 0.631 -6.312 5.949 212 HB3 PHE 34 2HB PHE 34 -0.946 -3.754 5.574 213 HD1 PHE 34 1HD PHE 34 -0.129 -7.101 3.939 214 HD2 PHE 34 2HD PHE 34 -1.232 -2.935 3.392 215 HE1 PHE 34 1HE PHE 34 0.223 -7.289 1.515 216 HE2 PHE 34 2HE PHE 34 -1.054 -3.206 0.971 217 HZ PHE 34 HZ PHE 34 -0.200 -5.334 0.019 218 H GLY 35 H GLY 35 1.849 -3.306 7.012 219 HA2 GLY 35 1HA GLY 35 3.772 -3.153 4.714 220 HA3 GLY 35 2HA GLY 35 3.514 -1.916 5.928 221 H GLN 36 H GLN 36 3.857 -2.804 8.251 222 HA GLN 36 HA GLN 36 6.600 -2.814 8.491 223 HB3 GLN 36 2HB GLN 36 6.243 -2.815 10.872 224 HG3 GLN 36 2HG GLN 36 3.864 -1.495 9.503 225 HE21 GLN 36 1HE2 GLN 36 3.136 0.446 10.473 226 HE22 GLN 36 2HE2 GLN 36 3.084 0.602 12.228 227 H ARG 37 H ARG 37 4.547 -5.681 8.329 228 HA ARG 37 HA ARG 37 6.934 -7.344 9.051 229 HB3 ARG 37 2HB ARG 37 5.361 -9.057 9.802 230 HG3 ARG 37 2HG ARG 37 4.889 -6.371 11.179 231 HD3 ARG 37 2HD ARG 37 5.149 -9.208 12.185 232 HE ARG 37 HE ARG 37 6.666 -8.306 13.612 233 HH11 ARG 37 1HH1 ARG 37 3.840 -6.169 13.717 234 HH12 ARG 37 2HH1 ARG 37 4.631 -4.934 14.614 235 HH21 ARG 37 1HH2 ARG 37 7.706 -6.770 14.794 236 HH22 ARG 37 2HH2 ARG 37 7.000 -5.258 15.228 237 H ILE 38 H ILE 38 5.814 -6.184 6.358 238 HA ILE 38 HA ILE 38 5.809 -8.757 4.838 239 HB ILE 38 HB ILE 38 3.864 -6.455 4.660 240 HG13 ILE 38 2HG1 ILE 38 2.101 -7.830 5.477 241 HG21 ILE 38 1HG2 ILE 38 3.929 -9.002 3.000 242 HG22 ILE 38 2HG2 ILE 38 2.554 -7.872 3.061 243 HG23 ILE 38 3HG2 ILE 38 4.101 -7.324 2.437 244 HD11 ILE 38 3HD1 ILE 38 4.175 -10.052 5.387 245 HD12 ILE 38 1HD1 ILE 38 2.860 -10.105 6.543 246 HD13 ILE 38 2HD1 ILE 38 2.489 -10.033 4.808 247 H ILE 39 H ILE 39 5.338 -5.295 4.133 248 HA ILE 39 HA ILE 39 6.940 -5.305 1.759 249 HB ILE 39 HB ILE 39 5.848 -3.008 3.444 250 HG13 ILE 39 2HG1 ILE 39 3.891 -2.959 1.964 251 HG21 ILE 39 1HG2 ILE 39 5.754 -1.731 1.291 252 HG22 ILE 39 2HG2 ILE 39 7.381 -2.093 1.849 253 HG23 ILE 39 3HG2 ILE 39 6.698 -3.038 0.529 254 HD11 ILE 39 3HD1 ILE 39 4.762 -4.210 -0.052 255 HD12 ILE 39 1HD1 ILE 39 4.765 -5.688 0.944 256 HD13 ILE 39 2HD1 ILE 39 3.248 -4.863 0.592 257 H GLY 40 H GLY 40 7.836 -5.311 5.049 258 HA2 GLY 40 1HA GLY 40 9.979 -5.357 5.904 259 HA3 GLY 40 2HA GLY 40 10.562 -5.137 4.255 260 H TRP 41 H TRP 41 8.426 -2.665 5.070 261 HA TRP 41 HA TRP 41 10.551 -0.739 4.755 262 HB3 TRP 41 2HB TRP 41 8.434 -0.753 3.480 263 HD1 TRP 41 HD TRP 41 7.342 -1.174 6.955 264 HE1 TRP 41 1HE TRP 41 5.001 -0.422 7.408 265 HE3 TRP 41 3HE TRP 41 6.336 1.066 2.421 266 HZ2 TRP 41 2HZ TRP 41 2.746 0.683 5.860 267 HZ3 TRP 41 3HZ TRP 41 4.050 1.823 1.926 268 HH2 TRP 41 HH TRP 41 2.250 1.665 3.644 269 H GLY 42 H GLY 42 10.322 -2.072 7.447 270 HA2 GLY 42 1HA GLY 42 10.300 -1.604 9.679 271 HA3 GLY 42 2HA GLY 42 10.953 -0.021 9.237 272 H THR 43 H THR 43 9.729 1.661 9.720 273 HA THR 43 HA THR 43 6.892 1.695 9.319 274 HB THR 43 HB THR 43 6.902 0.347 11.386 275 HG1 THR 43 1HG THR 43 5.400 1.697 12.501 276 HG21 THR 43 3HG2 THR 43 8.915 1.684 12.400 277 HG22 THR 43 1HG2 THR 43 7.622 1.041 13.448 278 HG23 THR 43 2HG2 THR 43 7.667 2.773 12.987 279 H GLY 44 H GLY 44 7.349 3.511 8.119 280 HA2 GLY 44 1HA GLY 44 6.719 5.955 8.884 281 HA3 GLY 44 2HA GLY 44 8.346 5.945 9.538 282 H ALA 45 H ALA 45 9.822 6.583 8.287 283 HA ALA 45 HA ALA 45 9.381 7.012 5.310 284 HB1 ALA 45 1HB ALA 45 10.881 8.864 7.229 285 HB2 ALA 45 2HB ALA 45 10.724 9.065 5.466 286 HB3 ALA 45 3HB ALA 45 9.303 9.183 6.500 287 H GLU 46 H GLU 46 11.931 6.933 7.889 288 HA GLU 46 HA GLU 46 14.153 6.403 6.400 289 HB3 GLU 46 2HB GLU 46 13.439 5.533 9.239 290 HG3 GLU 46 2HG GLU 46 15.431 6.683 9.836 291 H GLY 47 H GLY 47 11.897 4.150 8.094 292 HA2 GLY 47 1HA GLY 47 13.204 1.732 7.433 293 HA3 GLY 47 2HA GLY 47 11.497 1.897 7.776 294 H ALA 48 H ALA 48 10.845 3.632 5.512 295 HA ALA 48 HA ALA 48 10.594 1.585 3.444 296 HB1 ALA 48 1HB ALA 48 9.689 4.504 3.470 297 HB2 ALA 48 2HB ALA 48 9.188 3.255 2.317 298 HB3 ALA 48 3HB ALA 48 8.709 3.128 4.023 299 H ARG 49 H ARG 49 12.794 4.193 4.098 300 HA ARG 49 HA ARG 49 13.660 4.584 1.330 301 HB3 ARG 49 2HB ARG 49 14.753 5.362 4.099 302 HG3 ARG 49 2HG ARG 49 15.779 6.463 1.476 303 HD3 ARG 49 2HD ARG 49 16.523 6.965 4.405 304 HE ARG 49 HE ARG 49 18.049 7.516 2.187 305 HH11 ARG 49 1HH1 ARG 49 16.561 9.506 4.736 306 HH12 ARG 49 2HH1 ARG 49 17.565 10.880 4.400 307 HH21 ARG 49 1HH2 ARG 49 19.496 9.265 1.962 308 HH22 ARG 49 2HH2 ARG 49 19.113 10.822 2.620 309 H GLN 50 H GLN 50 15.171 2.924 4.263 310 HA GLN 50 HA GLN 50 17.479 2.275 2.745 311 HB3 GLN 50 2HB GLN 50 18.158 0.892 4.607 312 HG3 GLN 50 2HG GLN 50 18.057 2.316 6.504 313 HE21 GLN 50 1HE2 GLN 50 17.566 5.042 6.158 314 HE22 GLN 50 2HE2 GLN 50 18.801 5.730 5.141 315 H ARG 51 H ARG 51 14.392 0.782 2.715 316 HA ARG 51 HA ARG 51 15.576 -1.767 1.859 317 HB3 ARG 51 2HB ARG 51 12.608 -1.356 2.313 318 HG3 ARG 51 2HG ARG 51 13.543 -3.636 1.650 319 HD3 ARG 51 2HD ARG 51 14.706 -3.528 4.489 320 HE ARG 51 HE ARG 51 15.446 -5.728 2.756 321 HH11 ARG 51 1HH1 ARG 51 13.018 -4.697 5.143 322 HH12 ARG 51 2HH1 ARG 51 12.454 -6.341 5.393 323 HH21 ARG 51 1HH2 ARG 51 14.651 -7.755 3.067 324 HH22 ARG 51 2HH2 ARG 51 13.317 -8.100 4.127 325 H LEU 52 H LEU 52 14.446 0.988 0.405 326 HA LEU 52 HA LEU 52 12.938 -0.217 -1.818 327 HB3 LEU 52 2HB LEU 52 13.856 2.513 -0.940 328 HG LEU 52 HG LEU 52 11.897 3.079 -2.677 329 HD11 LEU 52 1HD1 LEU 52 13.975 4.370 -2.337 330 HD12 LEU 52 2HD1 LEU 52 13.093 4.497 -3.866 331 HD13 LEU 52 3HD1 LEU 52 14.527 3.498 -3.810 332 HD21 LEU 52 3HD2 LEU 52 12.054 0.882 -3.877 333 HD22 LEU 52 1HD2 LEU 52 13.544 1.561 -4.566 334 HD23 LEU 52 2HD2 LEU 52 12.021 2.401 -4.822 335 H GLU 53 H GLU 53 15.807 1.916 -1.473 336 HA GLU 53 HA GLU 53 15.945 1.966 -4.204 337 HB3 GLU 53 2HB GLU 53 18.112 3.205 -3.948 338 HG3 GLU 53 2HG GLU 53 16.264 3.954 -1.643 339 H ASN 54 H ASN 54 16.950 -0.456 -2.204 340 HA ASN 54 HA ASN 54 18.698 -1.747 -4.150 341 HB3 ASN 54 2HB ASN 54 20.218 -1.016 -2.507 342 HD21 ASN 54 1HD2 ASN 54 17.491 -2.463 -0.492 343 HD22 ASN 54 2HD2 ASN 54 17.467 -1.004 0.527 344 H ILE 55 H ILE 55 15.869 -2.125 -3.847 345 HA ILE 55 HA ILE 55 14.956 -4.288 -2.340 346 HB ILE 55 HB ILE 55 13.780 -2.624 -4.003 347 HG13 ILE 55 2HG1 ILE 55 12.974 -5.459 -3.369 348 HG21 ILE 55 1HG2 ILE 55 15.040 -3.491 -6.034 349 HG22 ILE 55 2HG2 ILE 55 14.117 -4.999 -5.882 350 HG23 ILE 55 3HG2 ILE 55 13.264 -3.494 -6.196 351 HD11 ILE 55 3HD1 ILE 55 12.667 -3.747 -1.634 352 HD12 ILE 55 1HD1 ILE 55 11.781 -2.732 -2.797 353 HD13 ILE 55 2HD1 ILE 55 11.097 -4.284 -2.269 354 H GLN 56 H GLN 56 14.406 -6.547 -3.212 355 HA GLN 56 HA GLN 56 16.173 -7.505 -5.365 356 HB3 GLN 56 2HB GLN 56 16.182 -9.745 -3.859 357 HG3 GLN 56 2HG GLN 56 18.092 -7.648 -4.342 358 HE21 GLN 56 1HE2 GLN 56 17.869 -6.066 -2.469 359 HE22 GLN 56 2HE2 GLN 56 18.550 -6.491 -0.931 360 HA PRO 57 HA PRO 57 12.493 -9.466 -6.839 361 HB3 PRO 57 2HB PRO 57 13.782 -10.296 -8.567 362 HG3 PRO 57 2HG PRO 57 15.922 -11.334 -8.163 363 HD3 PRO 57 2HD PRO 57 15.952 -9.083 -7.365 364 H ALA 58 H ALA 58 14.512 -11.216 -4.466 365 HA ALA 58 HA ALA 58 12.519 -13.136 -3.700 366 HB1 ALA 58 1HB ALA 58 14.909 -13.416 -3.231 367 HB2 ALA 58 2HB ALA 58 14.875 -11.970 -2.185 368 HB3 ALA 58 3HB ALA 58 13.966 -13.426 -1.726 369 H ASP 59 H ASP 59 13.078 -9.713 -2.809 370 HA ASP 59 HA ASP 59 11.375 -9.811 -0.471 371 HB3 ASP 59 2HB ASP 59 11.386 -7.147 -1.178 372 H VAL 60 H VAL 60 10.669 -9.596 -3.931 373 HA VAL 60 HA VAL 60 7.947 -8.549 -3.344 374 HB VAL 60 HB VAL 60 8.809 -7.561 -5.239 375 HG11 VAL 60 1HG1 VAL 60 10.619 -9.010 -5.900 376 HG12 VAL 60 2HG1 VAL 60 9.467 -10.276 -6.435 377 HG13 VAL 60 3HG1 VAL 60 9.550 -8.729 -7.264 378 HG21 VAL 60 3HG2 VAL 60 7.036 -9.616 -6.507 379 HG22 VAL 60 1HG2 VAL 60 6.435 -8.384 -5.367 380 HG23 VAL 60 2HG2 VAL 60 7.248 -7.877 -6.855 381 H SER 61 H SER 61 9.475 -11.543 -4.641 382 HA SER 61 HA SER 61 6.973 -13.004 -4.287 383 HB3 SER 61 2HB SER 61 8.352 -14.900 -5.157 384 HG SER 61 HG SER 61 8.735 -13.382 -7.161 385 H MET 62 H MET 62 7.993 -11.815 -1.967 386 HA MET 62 HA MET 62 7.504 -14.226 -0.303 387 HB3 MET 62 2HB MET 62 9.660 -13.236 0.343 388 HG3 MET 62 2HG MET 62 8.068 -10.826 1.235 389 HE1 MET 62 3HE MET 62 8.696 -11.272 3.643 390 HE2 MET 62 1HE MET 62 9.603 -12.761 3.325 391 HE3 MET 62 2HE MET 62 10.347 -11.458 4.282 392 H ILE 63 H ILE 63 6.739 -10.754 -1.013 393 HA ILE 63 HA ILE 63 4.670 -10.407 0.861 394 HB ILE 63 HB ILE 63 5.348 -9.112 -1.823 395 HG13 ILE 63 2HG1 ILE 63 6.993 -8.918 0.170 396 HG21 ILE 63 1HG2 ILE 63 3.033 -8.646 -1.468 397 HG22 ILE 63 2HG2 ILE 63 3.290 -8.215 0.236 398 HG23 ILE 63 3HG2 ILE 63 3.911 -7.186 -1.075 399 HD11 ILE 63 3HD1 ILE 63 7.503 -6.595 -0.215 400 HD12 ILE 63 1HD1 ILE 63 7.039 -7.337 -1.754 401 HD13 ILE 63 2HD1 ILE 63 5.902 -6.292 -0.912 402 H LYS 64 H LYS 64 4.738 -11.579 -2.467 403 HA LYS 64 HA LYS 64 1.941 -11.849 -2.962 404 HB3 LYS 64 2HB LYS 64 2.731 -13.660 -4.579 405 HG3 LYS 64 2HG LYS 64 3.651 -10.812 -4.478 406 HD3 LYS 64 2HD LYS 64 5.561 -12.181 -5.546 407 HE3 LYS 64 2HE LYS 64 3.490 -12.129 -7.781 408 HZ1 LYS 64 3HZ LYS 64 6.450 -12.384 -8.014 409 HZ2 LYS 64 1HZ LYS 64 5.432 -11.460 -8.905 410 HZ3 LYS 64 2HZ LYS 64 5.396 -13.038 -9.089 411 H LYS 65 H LYS 65 4.063 -13.881 -0.974 412 HA LYS 65 HA LYS 65 2.260 -16.170 -1.006 413 HB3 LYS 65 2HB LYS 65 3.737 -16.879 0.951 414 HG3 LYS 65 2HG LYS 65 4.060 -17.541 -1.455 415 HD3 LYS 65 2HD LYS 65 6.569 -15.879 -1.270 416 HE3 LYS 65 2HE LYS 65 6.398 -17.994 -2.613 417 HZ1 LYS 65 3HZ LYS 65 4.060 -17.411 -3.484 418 HZ2 LYS 65 1HZ LYS 65 5.123 -18.044 -4.531 419 HZ3 LYS 65 2HZ LYS 65 4.844 -16.456 -4.585 420 H GLN 66 H GLN 66 2.378 -13.115 0.655 421 HA GLN 66 HA GLN 66 0.982 -14.254 3.008 422 HB3 GLN 66 2HB GLN 66 1.103 -11.689 3.655 423 HG3 GLN 66 2HG GLN 66 2.218 -13.644 4.680 424 HE21 GLN 66 1HE2 GLN 66 5.172 -12.036 3.540 425 HE22 GLN 66 2HE2 GLN 66 5.773 -13.405 2.639 426 H GLY 67 H GLY 67 -0.130 -13.860 0.091 427 HA2 GLY 67 1HA GLY 67 -2.376 -13.709 -0.580 428 HA3 GLY 67 2HA GLY 67 -2.789 -13.168 1.062 429 H THR 68 H THR 68 -0.453 -11.947 -1.385 430 HA THR 68 HA THR 68 -1.877 -9.353 -1.330 431 HB THR 68 HB THR 68 1.108 -9.674 -1.731 432 HG1 THR 68 1HG THR 68 1.222 -10.198 0.251 433 HG21 THR 68 3HG2 THR 68 0.186 -7.527 -2.424 434 HG22 THR 68 1HG2 THR 68 1.062 -7.283 -0.905 435 HG23 THR 68 2HG2 THR 68 -0.711 -7.385 -0.896 436 H THR 69 H THR 69 -2.032 -8.363 -3.376 437 HA THR 69 HA THR 69 -1.241 -9.932 -5.750 438 HB THR 69 HB THR 69 -3.452 -8.953 -6.609 439 HG1 THR 69 1HG THR 69 -4.967 -8.541 -4.972 440 HG21 THR 69 3HG2 THR 69 -4.772 -10.781 -5.637 441 HG22 THR 69 1HG2 THR 69 -3.555 -11.028 -4.366 442 HG23 THR 69 2HG2 THR 69 -3.152 -11.355 -6.070 443 H LEU 70 H LEU 70 -1.334 -8.443 -7.700 444 HA LEU 70 HA LEU 70 0.429 -6.232 -7.366 445 HB3 LEU 70 2HB LEU 70 -1.370 -7.182 -9.650 446 HG LEU 70 HG LEU 70 -0.669 -4.869 -10.192 447 HD11 LEU 70 1HD1 LEU 70 1.848 -4.491 -10.462 448 HD12 LEU 70 2HD1 LEU 70 2.094 -5.968 -9.514 449 HD13 LEU 70 3HD1 LEU 70 1.266 -4.549 -8.793 450 HD21 LEU 70 3HD2 LEU 70 1.038 -6.956 -11.628 451 HD22 LEU 70 1HD2 LEU 70 0.383 -5.447 -12.293 452 HD23 LEU 70 2HD2 LEU 70 -0.704 -6.763 -11.884 453 H GLU 71 H GLU 71 -3.075 -6.541 -7.513 454 HA GLU 71 HA GLU 71 -4.039 -3.940 -7.639 455 HB3 GLU 71 2HB GLU 71 -5.794 -4.909 -6.064 456 HG3 GLU 71 2HG GLU 71 -5.748 -7.201 -7.805 457 H MET 72 H MET 72 -2.698 -5.720 -4.810 458 HA MET 72 HA MET 72 -3.710 -3.839 -2.936 459 HB3 MET 72 2HB MET 72 -1.250 -5.312 -2.160 460 HG3 MET 72 2HG MET 72 -2.847 -4.280 -0.552 461 HE1 MET 72 3HE MET 72 -3.887 -7.855 -1.240 462 HE2 MET 72 1HE MET 72 -5.661 -7.861 -1.150 463 HE3 MET 72 2HE MET 72 -4.851 -7.307 -2.630 464 H ILE 73 H ILE 73 -0.570 -4.340 -4.435 465 HA ILE 73 HA ILE 73 0.877 -2.313 -3.058 466 HB ILE 73 HB ILE 73 1.384 -3.690 -5.722 467 HG13 ILE 73 2HG1 ILE 73 2.819 -5.277 -4.378 468 HG21 ILE 73 1HG2 ILE 73 3.780 -3.313 -5.277 469 HG22 ILE 73 2HG2 ILE 73 2.894 -1.812 -5.487 470 HG23 ILE 73 3HG2 ILE 73 3.364 -2.350 -3.851 471 HD11 ILE 73 3HD1 ILE 73 2.956 -3.990 -2.224 472 HD12 ILE 73 1HD1 ILE 73 1.217 -4.292 -1.979 473 HD13 ILE 73 2HD1 ILE 73 2.357 -5.641 -2.038 474 H THR 74 H THR 74 -0.703 -2.399 -6.278 475 HA THR 74 HA THR 74 0.164 0.144 -7.124 476 HB THR 74 HB THR 74 -2.039 -0.009 -8.557 477 HG1 THR 74 1HG THR 74 -1.815 -2.704 -7.703 478 HG21 THR 74 3HG2 THR 74 0.222 -2.031 -8.792 479 HG22 THR 74 1HG2 THR 74 0.168 -0.380 -9.441 480 HG23 THR 74 2HG2 THR 74 -0.933 -1.596 -10.080 481 H ALA 75 H ALA 75 -2.609 -0.651 -4.992 482 HA ALA 75 HA ALA 75 -3.712 2.009 -5.205 483 HB1 ALA 75 1HB ALA 75 -4.082 0.045 -2.927 484 HB2 ALA 75 2HB ALA 75 -5.143 1.390 -3.407 485 HB3 ALA 75 3HB ALA 75 -4.981 -0.015 -4.466 486 H TRP 76 H TRP 76 -1.565 0.468 -2.768 487 HA TRP 76 HA TRP 76 -1.431 2.865 -1.124 488 HB3 TRP 76 2HB TRP 76 0.468 1.635 0.003 489 HD1 TRP 76 HD TRP 76 -1.719 -1.316 -0.651 490 HE1 TRP 76 1HE TRP 76 -3.692 -1.439 1.000 491 HE3 TRP 76 3HE TRP 76 -1.018 3.158 1.778 492 HZ2 TRP 76 2HZ TRP 76 -4.688 0.102 3.225 493 HZ3 TRP 76 3HZ TRP 76 -2.289 3.621 3.841 494 HH2 TRP 76 HH TRP 76 -4.238 2.189 4.467 495 H GLN 77 H GLN 77 0.344 1.727 -3.921 496 HA GLN 77 HA GLN 77 2.606 3.474 -3.725 497 HB3 GLN 77 2HB GLN 77 1.058 2.301 -6.080 498 HG3 GLN 77 2HG GLN 77 3.796 3.610 -6.053 499 HE21 GLN 77 1HE2 GLN 77 3.862 3.910 -8.873 500 HE22 GLN 77 2HE2 GLN 77 4.294 2.273 -9.440 501 H ASP 78 H ASP 78 -0.438 3.772 -5.577 502 HA ASP 78 HA ASP 78 0.142 6.388 -6.477 503 HB3 ASP 78 2HB ASP 78 -2.730 5.520 -6.331 504 H PHE 79 H PHE 79 -1.954 5.250 -3.775 505 HA PHE 79 HA PHE 79 -3.068 7.714 -3.035 506 HB3 PHE 79 2HB PHE 79 -2.052 5.451 -1.257 507 HD1 PHE 79 2HD PHE 79 -1.286 7.070 0.481 508 HD2 PHE 79 1HD PHE 79 -5.397 6.948 -0.817 509 HE1 PHE 79 2HE PHE 79 -1.942 8.431 2.428 510 HE2 PHE 79 1HE PHE 79 -6.073 8.169 1.229 511 HZ PHE 79 HZ PHE 79 -4.358 8.950 2.839 512 H TYR 80 H TYR 80 0.222 6.435 -2.302 513 HA TYR 80 HA TYR 80 0.841 8.791 -0.691 514 HB3 TYR 80 2HB TYR 80 3.180 7.762 -0.809 515 HD1 TYR 80 1HD TYR 80 0.952 8.234 1.310 516 HD2 TYR 80 2HD TYR 80 2.838 4.691 -0.226 517 HE1 TYR 80 1HE TYR 80 0.347 7.030 3.392 518 HE2 TYR 80 2HE TYR 80 2.161 3.449 1.845 519 HH TYR 80 HH TYR 80 0.528 5.126 4.578 520 H GLU 81 H GLU 81 1.352 7.840 -4.093 521 HA GLU 81 HA GLU 81 3.105 10.093 -4.713 522 HB3 GLU 81 2HB GLU 81 2.283 9.478 -7.091 523 HG3 GLU 81 2HG GLU 81 3.208 7.048 -5.533 524 H GLN 82 H GLN 82 -0.400 9.696 -4.444 525 HA GLN 82 HA GLN 82 -1.066 12.326 -5.353 526 HB3 GLN 82 2HB GLN 82 -3.118 11.833 -3.720 527 HG3 GLN 82 2HG GLN 82 -2.926 11.720 -6.372 528 HE21 GLN 82 1HE2 GLN 82 -2.020 10.179 -7.815 529 HE22 GLN 82 2HE2 GLN 82 -2.528 8.507 -7.848 530 H GLU 83 H GLU 83 0.629 11.418 -2.456 531 HA GLU 83 HA GLU 83 -0.335 13.798 -1.001 532 HB3 GLU 83 2HB GLU 83 1.229 13.133 0.763 533 HG3 GLU 83 2HG GLU 83 0.459 10.859 1.332 534 H GLN 84 H GLN 84 2.515 12.833 -2.942 535 HA GLN 84 HA GLN 84 4.096 15.046 -2.009 536 HB3 GLN 84 2HB GLN 84 5.285 14.573 -4.350 537 HG3 GLN 84 2HG GLN 84 6.117 13.987 -2.019 538 HE21 GLN 84 1HE2 GLN 84 4.954 11.027 -3.707 539 HE22 GLN 84 2HE2 GLN 84 4.049 10.450 -2.301 540 H GLN 85 H GLN 85 1.837 14.758 -4.718 541 HA GLN 85 HA GLN 85 2.321 17.269 -5.944 542 HB3 GLN 85 2HB GLN 85 1.088 15.577 -7.133 543 HG3 GLN 85 2HG GLN 85 -0.700 15.724 -4.698 544 HE21 GLN 85 1HE2 GLN 85 -2.448 14.257 -4.699 545 HE22 GLN 85 2HE2 GLN 85 -3.563 14.171 -6.121 546 H ARG 86 H ARG 86 1.065 16.745 -2.866 547 HA ARG 86 HA ARG 86 -0.055 19.523 -2.815 548 HB3 ARG 86 2HB ARG 86 -1.875 18.127 -2.358 549 HG3 ARG 86 2HG ARG 86 -0.338 16.630 -0.206 550 HD3 ARG 86 2HD ARG 86 -2.322 15.080 -0.449 551 HE ARG 86 HE ARG 86 -3.090 17.778 0.528 552 HH11 ARG 86 1HH1 ARG 86 -2.453 14.323 1.328 553 HH12 ARG 86 2HH1 ARG 86 -2.929 14.532 2.979 554 HH21 ARG 86 1HH2 ARG 86 -3.619 17.994 2.727 555 HH22 ARG 86 2HH2 ARG 86 -3.712 16.597 3.741 556 H ASN 87 H ASN 87 1.809 17.079 -0.940 557 HA ASN 87 HA ASN 87 3.287 19.298 0.281 558 HB3 ASN 87 2HB ASN 87 1.944 18.887 2.051 559 HD21 ASN 87 1HD2 ASN 87 2.936 15.557 1.082 560 HD22 ASN 87 2HD2 ASN 87 1.464 14.829 1.747 561 H GLU 88 H GLU 88 4.946 19.018 -1.151 562 HA GLU 88 HA GLU 88 6.571 16.750 -1.553 563 HB3 GLU 88 2HB GLU 88 8.409 18.637 -1.578 564 HG3 GLU 88 2HG GLU 88 6.474 19.616 -3.525 565 H ASN 89 H ASN 89 6.008 18.495 1.328 566 HA ASN 89 HA ASN 89 8.519 17.861 2.700 567 HB3 ASN 89 2HB ASN 89 7.327 18.941 4.652 568 HD21 ASN 89 1HD2 ASN 89 6.270 20.834 1.784 569 HD22 ASN 89 2HD2 ASN 89 7.656 21.884 1.815 570 H ASN 90 H ASN 90 6.533 15.638 1.706 571 HA ASN 90 HA ASN 90 6.321 14.281 4.364 572 HB3 ASN 90 2HB ASN 90 4.437 13.926 2.025 573 HD21 ASN 90 1HD2 ASN 90 2.601 12.558 2.649 574 HD22 ASN 90 2HD2 ASN 90 2.741 11.337 3.884 575 HA PRO 91 HA PRO 91 9.330 12.018 1.712 576 HB3 PRO 91 2HB PRO 91 11.145 12.767 2.957 577 HG3 PRO 91 2HG PRO 91 10.812 13.583 5.184 578 HD3 PRO 91 2HD PRO 91 9.216 14.703 3.910 579 H THR 92 H THR 92 7.351 11.192 4.547 580 HA THR 92 HA THR 92 7.864 8.430 4.719 581 HB THR 92 HB THR 92 5.399 10.082 5.359 582 HG1 THR 92 1HG THR 92 6.388 10.661 7.125 583 HG21 THR 92 3HG2 THR 92 4.873 7.716 5.494 584 HG22 THR 92 1HG2 THR 92 4.968 8.428 7.116 585 HG23 THR 92 2HG2 THR 92 6.308 7.455 6.512 586 H ALA 93 H ALA 93 5.116 10.183 3.103 587 HA ALA 93 HA ALA 93 4.184 7.887 1.691 588 HB1 ALA 93 1HB ALA 93 3.123 9.703 0.210 589 HB2 ALA 93 2HB ALA 93 2.759 9.839 1.933 590 HB3 ALA 93 3HB ALA 93 3.973 10.893 1.181 591 H LYS 94 H LYS 94 6.409 10.531 0.667 592 HA LYS 94 HA LYS 94 6.850 9.769 -1.905 593 HB3 LYS 94 2HB LYS 94 9.099 10.730 -0.092 594 HG3 LYS 94 2HG LYS 94 8.328 11.137 -2.989 595 HD3 LYS 94 2HD LYS 94 8.819 13.297 -1.887 596 HE3 LYS 94 2HE LYS 94 10.656 12.258 -0.340 597 HZ1 LYS 94 3HZ LYS 94 12.296 12.972 -2.698 598 HZ2 LYS 94 1HZ LYS 94 12.086 11.425 -2.214 599 HZ3 LYS 94 2HZ LYS 94 12.870 12.501 -1.233 600 H TYR 95 H TYR 95 8.853 8.516 0.819 601 HA TYR 95 HA TYR 95 10.329 6.748 -0.907 602 HB3 TYR 95 2HB TYR 95 10.830 5.648 1.441 603 HD1 TYR 95 1HD TYR 95 12.689 6.509 -0.504 604 HD2 TYR 95 2HD TYR 95 11.272 8.682 2.967 605 HE1 TYR 95 1HE TYR 95 14.671 7.884 -0.569 606 HE2 TYR 95 2HE TYR 95 13.325 10.038 2.939 607 HH TYR 95 HH TYR 95 15.949 9.418 0.532 608 H ARG 96 H ARG 96 7.348 6.239 1.163 609 HA ARG 96 HA ARG 96 7.142 3.459 0.751 610 HB3 ARG 96 2HB ARG 96 4.668 3.833 1.053 611 HG3 ARG 96 2HG ARG 96 6.545 5.205 2.972 612 HD3 ARG 96 2HD ARG 96 3.808 4.076 3.551 613 HE ARG 96 HE ARG 96 6.024 5.008 5.220 614 HH11 ARG 96 1HH1 ARG 96 2.503 4.386 5.210 615 HH12 ARG 96 2HH1 ARG 96 2.406 4.267 6.923 616 HH21 ARG 96 1HH2 ARG 96 5.934 4.641 7.313 617 HH22 ARG 96 2HH2 ARG 96 4.499 4.258 8.225 618 H ALA 97 H ALA 97 5.781 6.113 -1.312 619 HA ALA 97 HA ALA 97 4.462 4.523 -3.216 620 HB1 ALA 97 1HB ALA 97 5.151 6.507 -4.712 621 HB2 ALA 97 2HB ALA 97 4.145 6.887 -3.292 622 HB3 ALA 97 3HB ALA 97 5.893 7.221 -3.285 623 H ARG 98 H ARG 98 7.835 5.805 -3.248 624 HA ARG 98 HA ARG 98 8.468 4.552 -5.656 625 HB3 ARG 98 2HB ARG 98 10.909 4.822 -4.169 626 HG3 ARG 98 2HG ARG 98 9.378 6.398 -6.214 627 HD3 ARG 98 2HD ARG 98 11.906 7.432 -4.912 628 HE ARG 98 HE ARG 98 11.162 7.639 -7.545 629 HH11 ARG 98 1HH1 ARG 98 11.074 10.151 -5.027 630 HH12 ARG 98 2HH1 ARG 98 10.918 11.460 -6.173 631 HH21 ARG 98 1HH2 ARG 98 11.149 9.418 -9.043 632 HH22 ARG 98 2HH2 ARG 98 11.240 11.031 -8.415 633 H LEU 99 H LEU 99 8.680 3.260 -2.388 634 HA LEU 99 HA LEU 99 10.112 0.873 -2.998 635 HB3 LEU 99 2HB LEU 99 8.092 1.541 -0.818 636 HG LEU 99 HG LEU 99 8.106 -0.798 -0.715 637 HD11 LEU 99 1HD1 LEU 99 9.996 -1.338 -2.216 638 HD12 LEU 99 2HD1 LEU 99 10.119 -2.188 -0.680 639 HD13 LEU 99 3HD1 LEU 99 11.136 -0.773 -0.960 640 HD21 LEU 99 3HD2 LEU 99 9.398 -1.178 1.389 641 HD22 LEU 99 1HD2 LEU 99 8.515 0.369 1.407 642 HD23 LEU 99 2HD2 LEU 99 10.272 0.341 1.124 643 H MET 100 H MET 100 6.595 1.503 -2.661 644 HA MET 100 HA MET 100 5.646 -1.003 -3.469 645 HB3 MET 100 2HB MET 100 3.539 0.049 -3.927 646 HG3 MET 100 2HG MET 100 2.929 1.184 -2.049 647 HE1 MET 100 3HE MET 100 3.856 -2.130 -0.279 648 HE2 MET 100 1HE MET 100 2.781 -1.317 -1.443 649 HE3 MET 100 2HE MET 100 4.362 -1.962 -1.957 650 H LYS 101 H LYS 101 6.296 1.849 -5.535 651 HA LYS 101 HA LYS 101 5.563 0.857 -8.033 652 HB3 LYS 101 2HB LYS 101 7.835 2.720 -7.224 653 HG3 LYS 101 2HG LYS 101 6.870 2.011 -9.942 654 HD3 LYS 101 2HD LYS 101 6.615 4.775 -8.852 655 HE3 LYS 101 2HE LYS 101 7.649 4.302 -11.662 656 HZ1 LYS 101 3HZ LYS 101 8.007 6.688 -11.491 657 HZ2 LYS 101 1HZ LYS 101 7.212 6.710 -10.039 658 HZ3 LYS 101 2HZ LYS 101 6.409 6.266 -11.434 659 H LYS 102 H LYS 102 8.635 0.494 -6.412 660 HA LYS 102 HA LYS 102 9.940 -1.035 -8.478 661 HB3 LYS 102 2HB LYS 102 10.843 -1.618 -5.719 662 HG3 LYS 102 2HG LYS 102 12.037 -0.377 -8.241 663 HD3 LYS 102 2HD LYS 102 13.354 -1.057 -5.605 664 HE3 LYS 102 2HE LYS 102 14.589 -2.020 -7.587 665 HZ1 LYS 102 3HZ LYS 102 14.722 0.825 -8.366 666 HZ2 LYS 102 1HZ LYS 102 14.160 -0.438 -9.269 667 HZ3 LYS 102 2HZ LYS 102 15.757 -0.311 -8.935 668 H ILE 103 H ILE 103 7.847 -2.024 -5.781 669 HA ILE 103 HA ILE 103 8.437 -4.851 -6.074 670 HB ILE 103 HB ILE 103 6.234 -3.276 -4.684 671 HG13 ILE 103 2HG1 ILE 103 8.713 -3.251 -3.856 672 HG21 ILE 103 1HG2 ILE 103 5.528 -5.333 -3.579 673 HG22 ILE 103 2HG2 ILE 103 5.352 -5.493 -5.322 674 HG23 ILE 103 3HG2 ILE 103 6.729 -6.266 -4.502 675 HD11 ILE 103 3HD1 ILE 103 6.607 -4.272 -1.920 676 HD12 ILE 103 1HD1 ILE 103 8.153 -3.515 -1.507 677 HD13 ILE 103 2HD1 ILE 103 6.909 -2.575 -2.351 678 H ALA 104 H ALA 104 5.839 -2.653 -7.317 679 HA ALA 104 HA ALA 104 4.597 -4.671 -8.938 680 HB1 ALA 104 1HB ALA 104 3.504 -2.701 -10.019 681 HB2 ALA 104 2HB ALA 104 3.428 -2.644 -8.242 682 HB3 ALA 104 3HB ALA 104 4.595 -1.634 -9.113 683 H ASP 105 H ASP 105 7.591 -3.142 -9.347 684 HA ASP 105 HA ASP 105 7.809 -3.134 -12.256 685 HB3 ASP 105 2HB ASP 105 10.127 -3.302 -10.311 686 H LEU 106 H LEU 106 8.889 -5.126 -9.513 687 HA LEU 106 HA LEU 106 9.951 -7.278 -11.225 688 HB3 LEU 106 2HB LEU 106 10.877 -8.049 -8.996 689 HG LEU 106 HG LEU 106 11.475 -5.181 -9.812 690 HD11 LEU 106 1HD1 LEU 106 13.406 -5.299 -8.301 691 HD12 LEU 106 2HD1 LEU 106 12.841 -6.877 -7.686 692 HD13 LEU 106 3HD1 LEU 106 11.872 -5.415 -7.416 693 HD21 LEU 106 3HD2 LEU 106 12.180 -6.968 -11.386 694 HD22 LEU 106 1HD2 LEU 106 13.081 -7.764 -10.077 695 HD23 LEU 106 2HD2 LEU 106 13.551 -6.140 -10.658 696 H TRP 107 H TRP 107 6.957 -6.771 -10.627 697 HA TRP 107 HA TRP 107 6.136 -8.993 -9.083 698 HB3 TRP 107 2HB TRP 107 4.394 -7.873 -11.304 699 HD1 TRP 107 HD TRP 107 2.236 -9.358 -10.957 700 HE1 TRP 107 1HE TRP 107 0.861 -10.153 -9.025 701 HE3 TRP 107 3HE TRP 107 5.016 -7.350 -7.182 702 HZ2 TRP 107 2HZ TRP 107 0.814 -9.779 -6.152 703 HZ3 TRP 107 3HZ TRP 107 4.148 -7.415 -4.831 704 HH2 TRP 107 HH TRP 107 2.024 -8.595 -4.321 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -18.544 7.188 14.924 2 HA2 GLY 1 1HA GLY 1 -20.721 7.571 16.896 3 HA3 GLY 1 2HA GLY 1 -20.956 6.977 15.238 4 H THR 2 H THR 2 -20.375 4.865 14.684 5 HA THR 2 HA THR 2 -20.699 2.711 15.071 6 HB THR 2 HB THR 2 -18.548 2.880 17.197 7 HG1 THR 2 1HG THR 2 -17.658 3.962 15.575 8 HG21 THR 2 3HG2 THR 2 -19.261 0.797 15.077 9 HG22 THR 2 1HG2 THR 2 -19.517 0.634 16.830 10 HG23 THR 2 2HG2 THR 2 -17.876 0.709 16.179 11 H ASP 3 H ASP 3 -22.807 3.759 15.925 12 HA ASP 3 HA ASP 3 -23.464 2.542 18.547 13 HB3 ASP 3 2HB ASP 3 -25.006 4.717 18.716 14 H PHE 4 H PHE 4 -24.910 0.975 17.852 15 HA PHE 4 HA PHE 4 -27.136 1.711 16.161 16 HB3 PHE 4 2HB PHE 4 -25.734 -0.625 14.979 17 HD1 PHE 4 1HD PHE 4 -25.816 2.880 13.739 18 HD2 PHE 4 2HD PHE 4 -27.693 -1.000 13.547 19 HE1 PHE 4 1HE PHE 4 -27.204 3.650 11.871 20 HE2 PHE 4 2HE PHE 4 -29.139 -0.197 11.697 21 HZ PHE 4 HZ PHE 4 -28.904 2.126 10.849 22 H GLY 5 H GLY 5 -28.380 -0.509 15.682 23 HA2 GLY 5 1HA GLY 5 -27.970 -2.818 17.223 24 HA3 GLY 5 2HA GLY 5 -28.924 -1.734 18.234 25 H THR 6 H THR 6 -29.315 -1.964 14.632 26 HA THR 6 HA THR 6 -31.598 -3.729 14.947 27 HB THR 6 HB THR 6 -32.266 -1.069 13.668 28 HG1 THR 6 1HG THR 6 -32.208 -1.722 16.395 29 HG21 THR 6 3HG2 THR 6 -33.716 -3.133 13.367 30 HG22 THR 6 1HG2 THR 6 -34.546 -1.776 14.157 31 HG23 THR 6 2HG2 THR 6 -33.969 -3.154 15.118 32 H THR 7 H THR 7 -29.557 -4.600 13.902 33 HA THR 7 HA THR 7 -28.596 -3.641 11.507 34 HB THR 7 HB THR 7 -28.064 -6.383 12.692 35 HG1 THR 7 1HG THR 7 -27.032 -5.447 14.407 36 HG21 THR 7 3HG2 THR 7 -26.243 -4.170 11.624 37 HG22 THR 7 1HG2 THR 7 -26.672 -5.664 10.762 38 HG23 THR 7 2HG2 THR 7 -25.704 -5.746 12.247 39 H ASN 8 H ASN 8 -31.461 -4.521 11.256 40 HA ASN 8 HA ASN 8 -31.062 -5.974 8.716 41 HB3 ASN 8 2HB ASN 8 -33.286 -6.761 10.626 42 HD21 ASN 8 1HD2 ASN 8 -34.913 -7.523 9.216 43 HD22 ASN 8 2HD2 ASN 8 -34.556 -8.456 7.765 44 H ASN 9 H ASN 9 -32.238 -3.228 10.249 45 HA ASN 9 HA ASN 9 -34.664 -3.037 8.509 46 HB3 ASN 9 2HB ASN 9 -35.686 -1.777 10.403 47 HD21 ASN 9 1HD2 ASN 9 -37.398 -3.281 10.202 48 HD22 ASN 9 2HD2 ASN 9 -37.276 -4.893 10.891 49 H PHE 10 H PHE 10 -32.689 -2.081 7.184 50 HA PHE 10 HA PHE 10 -33.330 0.706 7.136 51 HB3 PHE 10 2HB PHE 10 -30.484 0.719 6.698 52 HD1 PHE 10 1HD PHE 10 -31.481 3.058 6.280 53 HD2 PHE 10 2HD PHE 10 -31.467 1.192 10.174 54 HE1 PHE 10 1HE PHE 10 -31.922 5.251 7.338 55 HE2 PHE 10 2HE PHE 10 -31.882 3.392 11.226 56 HZ PHE 10 HZ PHE 10 -32.124 5.430 9.811 57 H VAL 11 H VAL 11 -31.801 1.518 5.058 58 HA VAL 11 HA VAL 11 -32.085 -0.533 2.951 59 HB VAL 11 HB VAL 11 -33.712 1.274 2.662 60 HG11 VAL 11 1HG1 VAL 11 -31.350 3.191 2.513 61 HG12 VAL 11 2HG1 VAL 11 -33.036 3.581 2.133 62 HG13 VAL 11 3HG1 VAL 11 -32.591 3.153 3.789 63 HG21 VAL 11 3HG2 VAL 11 -32.673 0.175 0.673 64 HG22 VAL 11 1HG2 VAL 11 -33.272 1.816 0.368 65 HG23 VAL 11 2HG2 VAL 11 -31.537 1.541 0.558 66 H SER 12 H SER 12 -30.360 -0.279 1.283 67 HA SER 12 HA SER 12 -27.729 0.069 2.386 68 HB3 SER 12 2HB SER 12 -27.052 -0.627 0.167 69 HG SER 12 HG SER 12 -28.740 -2.330 -0.211 70 HA PRO 13 HA PRO 13 -27.349 4.381 0.923 71 HB3 PRO 13 2HB PRO 13 -25.423 4.446 2.283 72 HG3 PRO 13 2HG PRO 13 -23.832 2.664 2.251 73 HD3 PRO 13 2HD PRO 13 -25.867 1.741 2.955 74 H ASN 14 H ASN 14 -26.137 5.473 -0.961 75 HA ASN 14 HA ASN 14 -26.096 3.738 -3.385 76 HB3 ASN 14 2HB ASN 14 -26.532 6.138 -4.416 77 HD21 ASN 14 1HD2 ASN 14 -28.694 6.344 -5.403 78 HD22 ASN 14 2HD2 ASN 14 -29.630 4.823 -5.421 79 H LEU 15 H LEU 15 -24.013 3.409 -3.864 80 HA LEU 15 HA LEU 15 -21.882 5.370 -3.337 81 HB3 LEU 15 2HB LEU 15 -21.776 2.858 -5.045 82 HG LEU 15 HG LEU 15 -19.850 4.929 -4.554 83 HD11 LEU 15 1HD1 LEU 15 -18.075 3.781 -3.307 84 HD12 LEU 15 2HD1 LEU 15 -19.159 2.414 -2.986 85 HD13 LEU 15 3HD1 LEU 15 -19.511 4.015 -2.302 86 HD21 LEU 15 3HD2 LEU 15 -19.914 3.418 -6.528 87 HD22 LEU 15 1HD2 LEU 15 -19.296 2.093 -5.512 88 HD23 LEU 15 2HD2 LEU 15 -18.312 3.554 -5.804 89 H GLN 16 H GLN 16 -23.739 6.772 -4.575 90 HA GLN 16 HA GLN 16 -23.475 6.810 -7.507 91 HB3 GLN 16 2HB GLN 16 -25.103 8.899 -6.978 92 HG3 GLN 16 2HG GLN 16 -27.036 7.372 -6.834 93 HE21 GLN 16 1HE2 GLN 16 -26.685 4.970 -8.631 94 HE22 GLN 16 2HE2 GLN 16 -26.374 5.756 -10.166 95 H LEU 17 H LEU 17 -20.930 7.206 -6.428 96 HA LEU 17 HA LEU 17 -20.195 9.658 -7.517 97 HB3 LEU 17 2HB LEU 17 -21.001 10.559 -5.327 98 HG LEU 17 HG LEU 17 -18.592 9.156 -4.072 99 HD11 LEU 17 1HD1 LEU 17 -19.268 10.334 -2.088 100 HD12 LEU 17 2HD1 LEU 17 -20.746 10.942 -2.892 101 HD13 LEU 17 3HD1 LEU 17 -19.139 11.499 -3.413 102 HD21 LEU 17 3HD2 LEU 17 -21.566 8.686 -3.502 103 HD22 LEU 17 1HD2 LEU 17 -20.222 8.134 -2.472 104 HD23 LEU 17 2HD2 LEU 17 -20.399 7.476 -4.087 105 H LYS 18 H LYS 18 -18.220 9.272 -8.280 106 HA LYS 18 HA LYS 18 -16.624 6.957 -7.320 107 HB3 LYS 18 2HB LYS 18 -15.072 7.538 -9.124 108 HG3 LYS 18 2HG LYS 18 -17.717 7.774 -10.508 109 HD3 LYS 18 2HD LYS 18 -15.334 7.006 -11.459 110 HE3 LYS 18 2HE LYS 18 -16.598 4.529 -10.190 111 HZ1 LYS 18 3HZ LYS 18 -15.899 3.998 -12.385 112 HZ2 LYS 18 1HZ LYS 18 -14.931 3.256 -11.262 113 HZ3 LYS 18 2HZ LYS 18 -14.344 4.547 -12.082 114 H GLN 19 H GLN 19 -15.229 7.185 -5.659 115 HA GLN 19 HA GLN 19 -13.897 9.818 -5.232 116 HB3 GLN 19 2HB GLN 19 -15.577 9.328 -3.504 117 HG3 GLN 19 2HG GLN 19 -14.930 6.712 -3.485 118 HE21 GLN 19 1HE2 GLN 19 -13.902 5.139 -2.242 119 HE22 GLN 19 2HE2 GLN 19 -12.602 5.480 -1.117 120 H ASN 20 H ASN 20 -11.815 9.451 -3.955 121 HA ASN 20 HA ASN 20 -9.989 7.824 -5.367 122 HB3 ASN 20 2HB ASN 20 -9.695 9.043 -2.615 123 HD21 ASN 20 1HD2 ASN 20 -8.282 6.656 -2.943 124 HD22 ASN 20 2HD2 ASN 20 -6.583 7.119 -3.181 125 H VAL 21 H VAL 21 -10.977 5.808 -5.370 126 HA VAL 21 HA VAL 21 -11.158 4.118 -2.992 127 HB VAL 21 HB VAL 21 -11.390 3.698 -5.968 128 HG11 VAL 21 1HG1 VAL 21 -10.622 1.534 -5.117 129 HG12 VAL 21 2HG1 VAL 21 -11.802 1.581 -3.801 130 HG13 VAL 21 3HG1 VAL 21 -12.339 1.414 -5.493 131 HG21 VAL 21 3HG2 VAL 21 -13.773 3.358 -5.492 132 HG22 VAL 21 1HG2 VAL 21 -13.483 3.422 -3.740 133 HG23 VAL 21 2HG2 VAL 21 -13.282 4.869 -4.735 134 H LEU 22 H LEU 22 -9.693 2.477 -2.358 135 HA LEU 22 HA LEU 22 -6.924 2.951 -2.984 136 HB3 LEU 22 2HB LEU 22 -6.560 0.973 -1.526 137 HG LEU 22 HG LEU 22 -8.628 2.844 -0.316 138 HD11 LEU 22 1HD1 LEU 22 -8.392 0.685 0.901 139 HD12 LEU 22 2HD1 LEU 22 -7.827 2.068 1.853 140 HD13 LEU 22 3HD1 LEU 22 -6.657 0.978 1.080 141 HD21 LEU 22 3HD2 LEU 22 -6.686 4.090 -1.035 142 HD22 LEU 22 1HD2 LEU 22 -5.596 2.957 -0.201 143 HD23 LEU 22 2HD2 LEU 22 -6.732 3.980 0.722 144 HA PRO 23 HA PRO 23 -6.374 -0.216 -6.184 145 HB3 PRO 23 2HB PRO 23 -4.175 -0.076 -6.622 146 HG3 PRO 23 2HG PRO 23 -3.307 1.728 -5.529 147 HD3 PRO 23 2HD PRO 23 -5.254 2.667 -4.804 148 HA PRO 24 HA PRO 24 -7.425 -4.067 -4.327 149 HB3 PRO 24 2HB PRO 24 -7.684 -4.855 -6.505 150 HG3 PRO 24 2HG PRO 24 -6.025 -4.450 -8.189 151 HD3 PRO 24 2HD PRO 24 -6.727 -2.351 -7.344 152 H THR 25 H THR 25 -6.636 -6.115 -3.340 153 HA THR 25 HA THR 25 -3.760 -6.148 -2.653 154 HB THR 25 HB THR 25 -5.031 -6.836 -0.233 155 HG1 THR 25 1HG THR 25 -6.904 -5.549 -1.161 156 HG21 THR 25 3HG2 THR 25 -3.667 -4.272 -1.143 157 HG22 THR 25 1HG2 THR 25 -2.923 -5.678 -0.364 158 HG23 THR 25 2HG2 THR 25 -4.040 -4.659 0.549 159 HA PRO 26 HA PRO 26 -4.106 -10.320 -3.621 160 HB3 PRO 26 2HB PRO 26 -1.802 -10.652 -3.335 161 HG3 PRO 26 2HG PRO 26 -0.685 -9.415 -1.680 162 HD3 PRO 26 2HD PRO 26 -2.037 -7.617 -2.364 163 H LYS 27 H LYS 27 -5.216 -12.239 -3.070 164 HA LYS 27 HA LYS 27 -6.930 -12.064 -0.747 165 HB3 LYS 27 2HB LYS 27 -7.929 -12.832 -2.799 166 HG3 LYS 27 2HG LYS 27 -5.790 -14.985 -2.779 167 HD3 LYS 27 2HD LYS 27 -8.523 -14.956 -4.127 168 HE3 LYS 27 2HE LYS 27 -6.065 -16.637 -4.788 169 HZ1 LYS 27 3HZ LYS 27 -7.511 -17.622 -6.439 170 HZ2 LYS 27 1HZ LYS 27 -8.820 -16.790 -5.880 171 HZ3 LYS 27 2HZ LYS 27 -8.137 -17.915 -4.931 172 H ASN 28 H ASN 28 -4.629 -12.118 0.451 173 HA ASN 28 HA ASN 28 -4.545 -14.796 1.625 174 HB3 ASN 28 2HB ASN 28 -2.013 -14.469 1.930 175 HD21 ASN 28 1HD2 ASN 28 -1.792 -14.062 -1.426 176 HD22 ASN 28 2HD2 ASN 28 -1.975 -15.772 -1.809 177 H ILE 29 H ILE 29 -3.974 -11.238 1.858 178 HA ILE 29 HA ILE 29 -4.547 -11.329 4.698 179 HB ILE 29 HB ILE 29 -2.602 -10.205 5.404 180 HG13 ILE 29 2HG1 ILE 29 -0.783 -9.378 4.205 181 HG21 ILE 29 1HG2 ILE 29 -2.297 -12.546 5.307 182 HG22 ILE 29 2HG2 ILE 29 -1.594 -12.445 3.680 183 HG23 ILE 29 3HG2 ILE 29 -0.760 -11.691 5.053 184 HD11 ILE 29 3HD1 ILE 29 -0.312 -10.907 2.458 185 HD12 ILE 29 1HD1 ILE 29 -1.900 -10.628 1.688 186 HD13 ILE 29 2HD1 ILE 29 -0.687 -9.348 1.727 187 HA PRO 30 HA PRO 30 -6.267 -7.385 3.330 188 HB3 PRO 30 2HB PRO 30 -7.376 -7.534 5.400 189 HG3 PRO 30 2HG PRO 30 -6.206 -7.923 7.449 190 HD3 PRO 30 2HD PRO 30 -5.770 -9.802 6.076 191 H LEU 31 H LEU 31 -5.800 -4.943 3.191 192 HA LEU 31 HA LEU 31 -3.285 -4.188 2.488 193 HB3 LEU 31 2HB LEU 31 -5.506 -2.508 3.688 194 HG LEU 31 HG LEU 31 -4.636 -0.743 2.124 195 HD11 LEU 31 1HD1 LEU 31 -3.370 0.413 3.741 196 HD12 LEU 31 2HD1 LEU 31 -2.823 -1.068 4.535 197 HD13 LEU 31 3HD1 LEU 31 -4.526 -0.574 4.620 198 HD21 LEU 31 3HD2 LEU 31 -2.918 -2.224 0.993 199 HD22 LEU 31 1HD2 LEU 31 -1.873 -1.998 2.404 200 HD23 LEU 31 2HD2 LEU 31 -2.382 -0.608 1.414 201 HA PRO 32 HA PRO 32 -1.873 -2.505 6.681 202 HB3 PRO 32 2HB PRO 32 -3.571 -1.796 8.036 203 HG3 PRO 32 2HG PRO 32 -5.609 -3.036 8.214 204 HD3 PRO 32 2HD PRO 32 -5.218 -2.474 5.905 205 H ALA 33 H ALA 33 -2.409 -5.715 5.770 206 HA ALA 33 HA ALA 33 -0.140 -6.635 7.476 207 HB1 ALA 33 1HB ALA 33 -2.089 -8.059 7.752 208 HB2 ALA 33 2HB ALA 33 -2.246 -8.188 5.996 209 HB3 ALA 33 3HB ALA 33 -0.834 -8.897 6.813 210 H PHE 34 H PHE 34 -1.568 -6.457 4.185 211 HA PHE 34 HA PHE 34 0.556 -7.553 2.798 212 HB3 PHE 34 2HB PHE 34 -1.349 -5.389 1.870 213 HD1 PHE 34 1HD PHE 34 0.803 -8.320 0.689 214 HD2 PHE 34 2HD PHE 34 -0.854 -4.415 -0.239 215 HE1 PHE 34 1HE PHE 34 2.010 -8.273 -1.428 216 HE2 PHE 34 2HE PHE 34 0.356 -4.406 -2.355 217 HZ PHE 34 HZ PHE 34 1.812 -6.320 -2.976 218 H GLY 35 H GLY 35 0.494 -4.516 4.312 219 HA2 GLY 35 1HA GLY 35 3.136 -3.786 3.115 220 HA3 GLY 35 2HA GLY 35 2.211 -2.743 4.168 221 H GLN 36 H GLN 36 1.781 -3.398 6.286 222 HA GLN 36 HA GLN 36 3.967 -3.243 7.668 223 HB3 GLN 36 2HB GLN 36 2.715 -3.579 9.702 224 HG3 GLN 36 2HG GLN 36 0.985 -2.402 7.488 225 HE21 GLN 36 1HE2 GLN 36 -0.430 -0.622 8.229 226 HE22 GLN 36 2HE2 GLN 36 -1.309 -0.821 9.725 227 H ARG 37 H ARG 37 2.935 -6.480 6.716 228 HA ARG 37 HA ARG 37 5.056 -7.642 8.487 229 HB3 ARG 37 2HB ARG 37 3.509 -9.642 8.680 230 HG3 ARG 37 2HG ARG 37 2.420 -7.024 9.830 231 HD3 ARG 37 2HD ARG 37 2.355 -9.919 10.697 232 HE ARG 37 HE ARG 37 2.725 -7.649 12.368 233 HH11 ARG 37 1HH1 ARG 37 0.529 -10.405 12.274 234 HH12 ARG 37 2HH1 ARG 37 0.780 -10.854 13.931 235 HH21 ARG 37 1HH2 ARG 37 3.170 -8.272 14.498 236 HH22 ARG 37 2HH2 ARG 37 2.206 -9.476 15.282 237 H ILE 38 H ILE 38 4.837 -6.805 5.594 238 HA ILE 38 HA ILE 38 5.826 -9.303 4.314 239 HB ILE 38 HB ILE 38 3.926 -7.219 3.182 240 HG13 ILE 38 2HG1 ILE 38 2.187 -8.820 3.109 241 HG21 ILE 38 1HG2 ILE 38 3.704 -8.761 1.222 242 HG22 ILE 38 2HG2 ILE 38 5.276 -7.989 1.388 243 HG23 ILE 38 3HG2 ILE 38 5.084 -9.689 1.860 244 HD11 ILE 38 3HD1 ILE 38 3.243 -10.905 2.805 245 HD12 ILE 38 1HD1 ILE 38 4.029 -10.830 4.412 246 HD13 ILE 38 2HD1 ILE 38 2.260 -10.971 4.271 247 H ILE 39 H ILE 39 5.425 -5.800 3.939 248 HA ILE 39 HA ILE 39 7.715 -5.591 2.191 249 HB ILE 39 HB ILE 39 5.689 -3.569 3.237 250 HG13 ILE 39 2HG1 ILE 39 4.580 -3.739 1.099 251 HG21 ILE 39 1HG2 ILE 39 7.557 -2.318 2.509 252 HG22 ILE 39 2HG2 ILE 39 7.746 -3.273 1.026 253 HG23 ILE 39 3HG2 ILE 39 6.341 -2.201 1.234 254 HD11 ILE 39 3HD1 ILE 39 6.405 -4.601 -0.391 255 HD12 ILE 39 1HD1 ILE 39 6.324 -6.145 0.495 256 HD13 ILE 39 2HD1 ILE 39 4.933 -5.591 -0.441 257 H GLY 40 H GLY 40 7.178 -4.844 5.619 258 HA2 GLY 40 1HA GLY 40 8.930 -4.754 7.202 259 HA3 GLY 40 2HA GLY 40 10.088 -4.386 5.922 260 H TRP 41 H TRP 41 7.255 -2.536 5.685 261 HA TRP 41 HA TRP 41 8.860 -0.126 6.055 262 HB3 TRP 41 2HB TRP 41 7.643 -0.595 3.928 263 HD1 TRP 41 HD TRP 41 5.084 -0.925 6.575 264 HE1 TRP 41 1HE TRP 41 2.693 -0.905 5.665 265 HE3 TRP 41 3HE TRP 41 6.079 0.447 1.751 266 HZ2 TRP 41 2HZ TRP 41 1.451 -0.743 3.099 267 HZ3 TRP 41 3HZ TRP 41 4.308 0.336 0.059 268 HH2 TRP 41 HH TRP 41 1.953 -0.250 0.710 269 H GLY 42 H GLY 42 7.329 -1.672 8.374 270 HA2 GLY 42 1HA GLY 42 6.269 -1.118 10.279 271 HA3 GLY 42 2HA GLY 42 7.021 0.480 10.136 272 H THR 43 H THR 43 5.586 2.132 9.976 273 HA THR 43 HA THR 43 3.218 1.786 8.308 274 HB THR 43 HB THR 43 2.397 2.557 11.099 275 HG1 THR 43 1HG THR 43 2.509 0.798 12.027 276 HG21 THR 43 3HG2 THR 43 0.419 1.099 10.500 277 HG22 THR 43 1HG2 THR 43 1.200 0.887 8.900 278 HG23 THR 43 2HG2 THR 43 0.698 2.495 9.457 279 H GLY 44 H GLY 44 5.310 3.761 9.099 280 HA2 GLY 44 1HA GLY 44 3.683 6.291 9.057 281 HA3 GLY 44 2HA GLY 44 4.378 5.743 10.579 282 H ALA 45 H ALA 45 5.303 6.073 7.263 283 HA ALA 45 HA ALA 45 6.987 7.096 6.093 284 HB1 ALA 45 1HB ALA 45 7.982 9.163 6.916 285 HB2 ALA 45 2HB ALA 45 6.223 9.146 7.135 286 HB3 ALA 45 3HB ALA 45 7.296 8.885 8.526 287 H GLU 46 H GLU 46 8.380 7.100 9.430 288 HA GLU 46 HA GLU 46 11.038 6.576 8.901 289 HB3 GLU 46 2HB GLU 46 10.852 5.605 11.307 290 HG3 GLU 46 2HG GLU 46 10.058 7.761 12.361 291 H GLY 47 H GLY 47 8.417 4.266 9.640 292 HA2 GLY 47 1HA GLY 47 9.743 1.882 9.713 293 HA3 GLY 47 2HA GLY 47 8.153 2.069 9.035 294 H ALA 48 H ALA 48 8.678 3.627 6.804 295 HA ALA 48 HA ALA 48 9.536 1.585 4.894 296 HB1 ALA 48 1HB ALA 48 8.915 3.304 3.211 297 HB2 ALA 48 2HB ALA 48 7.603 3.061 4.386 298 HB3 ALA 48 3HB ALA 48 8.640 4.473 4.524 299 H ARG 49 H ARG 49 10.731 4.775 5.970 300 HA ARG 49 HA ARG 49 12.926 5.122 4.248 301 HB3 ARG 49 2HB ARG 49 12.518 5.812 7.181 302 HG3 ARG 49 2HG ARG 49 14.349 7.327 5.308 303 HD3 ARG 49 2HD ARG 49 13.731 7.298 8.274 304 HE ARG 49 HE ARG 49 15.894 8.691 6.856 305 HH11 ARG 49 1HH1 ARG 49 14.203 8.065 9.927 306 HH12 ARG 49 2HH1 ARG 49 15.412 8.781 10.910 307 HH21 ARG 49 1HH2 ARG 49 17.291 10.047 8.181 308 HH22 ARG 49 2HH2 ARG 49 17.206 9.882 9.903 309 H GLN 50 H GLN 50 12.893 3.423 7.439 310 HA GLN 50 HA GLN 50 15.657 2.782 7.386 311 HB3 GLN 50 2HB GLN 50 14.621 1.113 9.214 312 HG3 GLN 50 2HG GLN 50 15.984 3.022 9.754 313 HE21 GLN 50 1HE2 GLN 50 12.872 4.411 10.864 314 HE22 GLN 50 2HE2 GLN 50 13.225 6.031 10.281 315 H ARG 51 H ARG 51 12.925 1.317 5.792 316 HA ARG 51 HA ARG 51 14.706 -0.928 5.045 317 HB3 ARG 51 2HB ARG 51 12.502 -2.210 4.604 318 HG3 ARG 51 2HG ARG 51 14.180 -2.901 6.285 319 HD3 ARG 51 2HD ARG 51 12.462 -1.120 7.995 320 HE ARG 51 HE ARG 51 11.996 -2.841 9.421 321 HH11 ARG 51 1HH1 ARG 51 15.314 -3.437 8.240 322 HH12 ARG 51 2HH1 ARG 51 15.379 -5.013 8.907 323 HH21 ARG 51 1HH2 ARG 51 12.085 -5.080 10.102 324 HH22 ARG 51 2HH2 ARG 51 13.586 -5.935 9.910 325 H LEU 52 H LEU 52 14.970 1.347 3.673 326 HA LEU 52 HA LEU 52 13.822 0.708 0.999 327 HB3 LEU 52 2HB LEU 52 13.465 3.180 2.643 328 HG LEU 52 HG LEU 52 14.272 4.396 0.882 329 HD11 LEU 52 1HD1 LEU 52 14.751 3.299 -1.038 330 HD12 LEU 52 2HD1 LEU 52 13.186 3.899 -1.545 331 HD13 LEU 52 3HD1 LEU 52 13.349 2.232 -0.939 332 HD21 LEU 52 3HD2 LEU 52 12.358 5.566 0.217 333 HD22 LEU 52 1HD2 LEU 52 11.896 4.757 1.727 334 HD23 LEU 52 2HD2 LEU 52 11.353 4.092 0.185 335 H GLU 53 H GLU 53 15.915 3.069 2.705 336 HA GLU 53 HA GLU 53 17.575 3.488 0.390 337 HB3 GLU 53 2HB GLU 53 18.763 5.015 1.826 338 HG3 GLU 53 2HG GLU 53 15.952 5.008 2.982 339 H ASN 54 H ASN 54 17.424 0.845 1.998 340 HA ASN 54 HA ASN 54 20.180 -0.091 1.646 341 HB3 ASN 54 2HB ASN 54 20.462 0.628 3.863 342 HD21 ASN 54 1HD2 ASN 54 17.452 -1.349 4.324 343 HD22 ASN 54 2HD2 ASN 54 16.644 -0.054 5.252 344 H ILE 55 H ILE 55 18.149 -0.787 0.059 345 HA ILE 55 HA ILE 55 16.658 -3.095 1.123 346 HB ILE 55 HB ILE 55 15.867 -1.481 -0.723 347 HG13 ILE 55 2HG1 ILE 55 15.080 -4.038 -0.014 348 HG21 ILE 55 1HG2 ILE 55 17.895 -1.755 -2.230 349 HG22 ILE 55 2HG2 ILE 55 17.391 -3.407 -2.545 350 HG23 ILE 55 3HG2 ILE 55 16.339 -2.089 -3.051 351 HD11 ILE 55 3HD1 ILE 55 13.050 -3.570 -1.215 352 HD12 ILE 55 1HD1 ILE 55 13.683 -2.062 -0.518 353 HD13 ILE 55 2HD1 ILE 55 13.872 -2.386 -2.262 354 H GLN 56 H GLN 56 16.906 -5.275 -0.124 355 HA GLN 56 HA GLN 56 19.569 -5.785 -1.152 356 HB3 GLN 56 2HB GLN 56 20.189 -6.357 0.855 357 HG3 GLN 56 2HG GLN 56 18.368 -8.223 1.718 358 HE21 GLN 56 1HE2 GLN 56 18.815 -4.522 2.479 359 HE22 GLN 56 2HE2 GLN 56 19.259 -4.909 4.077 360 HA PRO 57 HA PRO 57 17.049 -7.925 -4.079 361 HB3 PRO 57 2HB PRO 57 18.881 -8.344 -5.339 362 HG3 PRO 57 2HG PRO 57 20.977 -8.893 -4.374 363 HD3 PRO 57 2HD PRO 57 20.261 -6.932 -3.258 364 H ALA 58 H ALA 58 18.108 -9.614 -1.233 365 HA ALA 58 HA ALA 58 16.414 -11.952 -1.549 366 HB1 ALA 58 1HB ALA 58 17.730 -10.595 0.824 367 HB2 ALA 58 2HB ALA 58 16.972 -12.210 0.867 368 HB3 ALA 58 3HB ALA 58 18.419 -11.910 -0.138 369 H ASP 59 H ASP 59 16.056 -8.702 -0.166 370 HA ASP 59 HA ASP 59 13.661 -9.250 1.323 371 HB3 ASP 59 2HB ASP 59 13.631 -6.542 0.945 372 H VAL 60 H VAL 60 14.252 -8.594 -2.022 373 HA VAL 60 HA VAL 60 11.382 -7.967 -2.508 374 HB VAL 60 HB VAL 60 12.768 -6.736 -3.909 375 HG11 VAL 60 1HG1 VAL 60 14.862 -7.944 -3.808 376 HG12 VAL 60 2HG1 VAL 60 14.186 -9.265 -4.825 377 HG13 VAL 60 3HG1 VAL 60 14.403 -7.659 -5.475 378 HG21 VAL 60 3HG2 VAL 60 10.757 -7.851 -5.031 379 HG22 VAL 60 1HG2 VAL 60 12.050 -7.384 -6.147 380 HG23 VAL 60 2HG2 VAL 60 11.856 -9.072 -5.676 381 H SER 61 H SER 61 13.783 -10.602 -3.123 382 HA SER 61 HA SER 61 11.880 -12.316 -4.385 383 HB3 SER 61 2HB SER 61 13.635 -13.959 -4.275 384 HG SER 61 HG SER 61 15.072 -11.495 -4.406 385 H MET 62 H MET 62 11.447 -11.466 -1.304 386 HA MET 62 HA MET 62 10.666 -14.139 -0.339 387 HB3 MET 62 2HB MET 62 12.335 -12.914 1.021 388 HG3 MET 62 2HG MET 62 10.027 -11.040 1.643 389 HE1 MET 62 3HE MET 62 11.374 -13.025 3.858 390 HE2 MET 62 1HE MET 62 11.526 -11.859 5.178 391 HE3 MET 62 2HE MET 62 10.084 -11.840 4.143 392 H ILE 63 H ILE 63 9.563 -10.899 -1.279 393 HA ILE 63 HA ILE 63 7.014 -11.099 0.001 394 HB ILE 63 HB ILE 63 8.264 -9.238 -2.010 395 HG13 ILE 63 2HG1 ILE 63 8.913 -9.239 0.468 396 HG21 ILE 63 1HG2 ILE 63 5.951 -9.211 -2.644 397 HG22 ILE 63 2HG2 ILE 63 5.422 -9.071 -0.950 398 HG23 ILE 63 3HG2 ILE 63 6.260 -7.737 -1.755 399 HD11 ILE 63 3HD1 ILE 63 7.962 -6.702 -0.935 400 HD12 ILE 63 1HD1 ILE 63 8.918 -6.756 0.545 401 HD13 ILE 63 2HD1 ILE 63 9.565 -7.417 -0.976 402 H LYS 64 H LYS 64 8.084 -11.884 -3.257 403 HA LYS 64 HA LYS 64 5.670 -12.657 -4.451 404 HB3 LYS 64 2HB LYS 64 6.986 -14.407 -5.644 405 HG3 LYS 64 2HG LYS 64 7.497 -11.605 -5.543 406 HD3 LYS 64 2HD LYS 64 9.944 -12.603 -5.136 407 HE3 LYS 64 2HE LYS 64 11.009 -12.683 -7.517 408 HZ1 LYS 64 3HZ LYS 64 10.935 -14.782 -6.370 409 HZ2 LYS 64 1HZ LYS 64 10.456 -15.007 -7.914 410 HZ3 LYS 64 2HZ LYS 64 9.352 -15.020 -6.731 411 H LYS 65 H LYS 65 7.557 -14.440 -2.019 412 HA LYS 65 HA LYS 65 6.019 -16.854 -2.284 413 HB3 LYS 65 2HB LYS 65 7.337 -17.439 -0.179 414 HG3 LYS 65 2HG LYS 65 8.168 -17.282 -2.898 415 HD3 LYS 65 2HD LYS 65 9.677 -15.412 -2.092 416 HE3 LYS 65 2HE LYS 65 10.168 -16.416 0.153 417 HZ1 LYS 65 3HZ LYS 65 10.685 -18.688 -0.797 418 HZ2 LYS 65 1HZ LYS 65 11.633 -18.133 0.410 419 HZ3 LYS 65 2HZ LYS 65 12.181 -18.097 -1.149 420 H GLN 66 H GLN 66 5.305 -13.856 -0.709 421 HA GLN 66 HA GLN 66 3.300 -15.185 1.026 422 HB3 GLN 66 2HB GLN 66 3.044 -12.825 1.888 423 HG3 GLN 66 2HG GLN 66 4.271 -14.687 3.085 424 HE21 GLN 66 1HE2 GLN 66 6.702 -12.089 2.954 425 HE22 GLN 66 2HE2 GLN 66 7.960 -13.057 2.182 426 H GLY 67 H GLY 67 3.171 -14.979 -2.017 427 HA2 GLY 67 1HA GLY 67 1.226 -15.135 -3.203 428 HA3 GLY 67 2HA GLY 67 0.346 -14.399 -1.870 429 H THR 68 H THR 68 3.136 -12.755 -3.160 430 HA THR 68 HA THR 68 1.380 -10.597 -4.150 431 HB THR 68 HB THR 68 4.402 -10.583 -3.708 432 HG1 THR 68 1HG THR 68 3.934 -10.959 -1.739 433 HG21 THR 68 3HG2 THR 68 3.833 -8.152 -3.089 434 HG22 THR 68 1HG2 THR 68 2.252 -8.443 -3.846 435 HG23 THR 68 2HG2 THR 68 3.749 -8.578 -4.804 436 H THR 69 H THR 69 1.881 -9.557 -6.278 437 HA THR 69 HA THR 69 3.702 -11.059 -8.067 438 HB THR 69 HB THR 69 2.061 -10.172 -9.862 439 HG1 THR 69 1HG THR 69 -0.134 -10.247 -9.087 440 HG21 THR 69 3HG2 THR 69 2.480 -12.573 -9.363 441 HG22 THR 69 1HG2 THR 69 0.806 -12.261 -9.836 442 HG23 THR 69 2HG2 THR 69 1.208 -12.502 -8.113 443 H LEU 70 H LEU 70 4.189 -9.542 -9.992 444 HA LEU 70 HA LEU 70 5.700 -7.344 -9.096 445 HB3 LEU 70 2HB LEU 70 4.436 -7.819 -11.858 446 HG LEU 70 HG LEU 70 7.143 -7.109 -11.919 447 HD11 LEU 70 1HD1 LEU 70 6.477 -5.493 -13.553 448 HD12 LEU 70 2HD1 LEU 70 4.778 -5.765 -13.135 449 HD13 LEU 70 3HD1 LEU 70 5.785 -7.105 -13.769 450 HD21 LEU 70 3HD2 LEU 70 6.860 -5.714 -9.889 451 HD22 LEU 70 1HD2 LEU 70 5.709 -4.706 -10.844 452 HD23 LEU 70 2HD2 LEU 70 7.399 -4.855 -11.346 453 H GLU 71 H GLU 71 2.694 -7.615 -10.825 454 HA GLU 71 HA GLU 71 2.347 -5.013 -11.348 455 HB3 GLU 71 2HB GLU 71 1.455 -7.015 -12.340 456 HG3 GLU 71 2HG GLU 71 -0.803 -6.579 -10.495 457 H MET 72 H MET 72 1.554 -6.593 -8.537 458 HA MET 72 HA MET 72 -0.327 -4.811 -7.182 459 HB3 MET 72 2HB MET 72 1.526 -6.341 -5.462 460 HG3 MET 72 2HG MET 72 -1.445 -6.532 -5.972 461 HE1 MET 72 3HE MET 72 -2.315 -9.146 -5.890 462 HE2 MET 72 1HE MET 72 -0.829 -8.872 -6.812 463 HE3 MET 72 2HE MET 72 -0.953 -10.276 -5.721 464 H ILE 73 H ILE 73 3.208 -5.168 -7.423 465 HA ILE 73 HA ILE 73 3.776 -3.186 -5.413 466 HB ILE 73 HB ILE 73 5.604 -4.603 -7.408 467 HG13 ILE 73 2HG1 ILE 73 6.217 -6.072 -5.574 468 HG21 ILE 73 1HG2 ILE 73 7.462 -4.013 -5.992 469 HG22 ILE 73 2HG2 ILE 73 6.684 -2.576 -6.609 470 HG23 ILE 73 3HG2 ILE 73 6.402 -3.053 -4.923 471 HD11 ILE 73 3HD1 ILE 73 3.884 -4.934 -3.957 472 HD12 ILE 73 1HD1 ILE 73 4.935 -6.295 -3.527 473 HD13 ILE 73 2HD1 ILE 73 5.605 -4.673 -3.574 474 H THR 74 H THR 74 3.472 -3.216 -9.007 475 HA THR 74 HA THR 74 4.280 -0.416 -9.153 476 HB THR 74 HB THR 74 2.929 -0.560 -11.355 477 HG1 THR 74 1HG THR 74 1.801 -2.565 -10.704 478 HG21 THR 74 3HG2 THR 74 5.406 -0.704 -11.155 479 HG22 THR 74 1HG2 THR 74 4.792 -1.751 -12.426 480 HG23 THR 74 2HG2 THR 74 5.279 -2.450 -10.872 481 H ALA 75 H ALA 75 1.127 -2.054 -8.501 482 HA ALA 75 HA ALA 75 -0.376 0.222 -9.169 483 HB1 ALA 75 1HB ALA 75 -1.303 -2.019 -9.055 484 HB2 ALA 75 2HB ALA 75 -1.158 -2.035 -7.276 485 HB3 ALA 75 3HB ALA 75 -2.253 -0.882 -8.080 486 H TRP 76 H TRP 76 0.597 -0.877 -5.870 487 HA TRP 76 HA TRP 76 -0.709 1.408 -4.634 488 HB3 TRP 76 2HB TRP 76 0.538 0.818 -2.596 489 HD1 TRP 76 HD TRP 76 -0.268 -2.627 -4.125 490 HE1 TRP 76 1HE TRP 76 -2.615 -3.330 -3.259 491 HE3 TRP 76 3HE TRP 76 -1.498 1.637 -1.653 492 HZ2 TRP 76 2HZ TRP 76 -4.620 -2.225 -1.440 493 HZ3 TRP 76 3HZ TRP 76 -3.590 1.872 -0.441 494 HH2 TRP 76 HH TRP 76 -5.151 -0.127 -0.244 495 H GLN 77 H GLN 77 2.461 0.801 -5.992 496 HA GLN 77 HA GLN 77 3.850 3.005 -4.889 497 HB3 GLN 77 2HB GLN 77 4.131 1.593 -7.567 498 HG3 GLN 77 2HG GLN 77 6.215 3.182 -6.048 499 HE21 GLN 77 1HE2 GLN 77 7.092 3.962 -8.810 500 HE22 GLN 77 2HE2 GLN 77 7.944 2.503 -9.404 501 H ASP 78 H ASP 78 2.230 2.678 -8.139 502 HA ASP 78 HA ASP 78 2.719 5.417 -8.747 503 HB3 ASP 78 2HB ASP 78 0.339 4.375 -10.128 504 H PHE 79 H PHE 79 0.034 3.819 -7.122 505 HA PHE 79 HA PHE 79 -1.807 5.960 -6.909 506 HB3 PHE 79 2HB PHE 79 -1.106 3.667 -5.053 507 HD1 PHE 79 2HD PHE 79 -4.425 4.956 -6.025 508 HD2 PHE 79 1HD PHE 79 -1.517 4.605 -2.853 509 HE1 PHE 79 2HE PHE 79 -6.145 5.564 -4.405 510 HE2 PHE 79 1HE PHE 79 -3.237 5.297 -1.206 511 HZ PHE 79 HZ PHE 79 -5.551 5.813 -1.961 512 H TYR 80 H TYR 80 0.863 5.070 -4.594 513 HA TYR 80 HA TYR 80 0.402 7.474 -3.041 514 HB3 TYR 80 2HB TYR 80 2.558 6.803 -1.920 515 HD1 TYR 80 1HD TYR 80 -0.058 6.837 -0.795 516 HD2 TYR 80 2HD TYR 80 2.269 3.490 -2.133 517 HE1 TYR 80 1HE TYR 80 -1.224 5.410 0.846 518 HE2 TYR 80 2HE TYR 80 1.078 2.003 -0.511 519 HH TYR 80 HH TYR 80 -1.657 2.910 1.416 520 H GLU 81 H GLU 81 2.734 6.656 -5.656 521 HA GLU 81 HA GLU 81 4.368 9.016 -5.464 522 HB3 GLU 81 2HB GLU 81 4.673 8.581 -7.976 523 HG3 GLU 81 2HG GLU 81 5.140 6.035 -6.412 524 H GLN 82 H GLN 82 1.162 8.546 -7.044 525 HA GLN 82 HA GLN 82 1.089 11.212 -7.992 526 HB3 GLN 82 2HB GLN 82 -1.533 10.515 -7.842 527 HG3 GLN 82 2HG GLN 82 -0.688 10.927 -9.974 528 HE21 GLN 82 1HE2 GLN 82 0.770 7.701 -9.578 529 HE22 GLN 82 2HE2 GLN 82 2.199 8.030 -10.455 530 H GLU 83 H GLU 83 0.969 10.282 -4.683 531 HA GLU 83 HA GLU 83 -0.663 12.551 -3.791 532 HB3 GLU 83 2HB GLU 83 0.580 12.154 -1.591 533 HG3 GLU 83 2HG GLU 83 -0.395 9.828 -1.194 534 H GLN 84 H GLN 84 2.761 11.921 -4.619 535 HA GLN 84 HA GLN 84 3.745 14.163 -3.118 536 HB3 GLN 84 2HB GLN 84 5.760 13.755 -4.848 537 HG3 GLN 84 2HG GLN 84 5.725 13.302 -2.391 538 HE21 GLN 84 1HE2 GLN 84 5.018 10.385 -4.234 539 HE22 GLN 84 2HE2 GLN 84 3.835 9.742 -3.104 540 H GLN 85 H GLN 85 2.968 13.794 -6.551 541 HA GLN 85 HA GLN 85 3.603 16.428 -7.365 542 HB3 GLN 85 2HB GLN 85 3.252 14.778 -9.067 543 HG3 GLN 85 2HG GLN 85 0.594 14.369 -7.677 544 HE21 GLN 85 1HE2 GLN 85 -1.113 13.377 -8.631 545 HE22 GLN 85 2HE2 GLN 85 -1.278 13.244 -10.380 546 H ARG 86 H ARG 86 1.089 15.592 -5.159 547 HA ARG 86 HA ARG 86 -0.316 18.155 -5.836 548 HB3 ARG 86 2HB ARG 86 -1.730 16.311 -6.457 549 HG3 ARG 86 2HG ARG 86 -1.599 15.420 -3.555 550 HD3 ARG 86 2HD ARG 86 -2.957 13.876 -5.759 551 HE ARG 86 HE ARG 86 -2.654 13.408 -3.066 552 HH11 ARG 86 1HH1 ARG 86 -5.588 13.923 -5.045 553 HH12 ARG 86 2HH1 ARG 86 -6.623 13.262 -3.800 554 HH21 ARG 86 1HH2 ARG 86 -3.966 12.451 -1.642 555 HH22 ARG 86 2HH2 ARG 86 -5.729 12.478 -1.810 556 H ASN 87 H ASN 87 1.063 16.206 -3.202 557 HA ASN 87 HA ASN 87 0.983 18.594 -1.606 558 HB3 ASN 87 2HB ASN 87 -0.938 18.049 -0.584 559 HD21 ASN 87 1HD2 ASN 87 0.528 14.756 -0.737 560 HD22 ASN 87 2HD2 ASN 87 -1.006 13.908 -0.971 561 H GLU 88 H GLU 88 3.188 18.571 -1.736 562 HA GLU 88 HA GLU 88 4.924 16.366 -1.364 563 HB3 GLU 88 2HB GLU 88 6.624 18.150 -0.837 564 HG3 GLU 88 2HG GLU 88 4.952 18.897 -3.250 565 H ASN 89 H ASN 89 2.942 17.819 0.982 566 HA ASN 89 HA ASN 89 4.793 17.620 3.266 567 HB3 ASN 89 2HB ASN 89 2.781 18.373 4.545 568 HD21 ASN 89 1HD2 ASN 89 4.784 19.498 1.946 569 HD22 ASN 89 2HD2 ASN 89 4.492 21.195 2.202 570 H ASN 90 H ASN 90 3.324 15.241 1.565 571 HA ASN 90 HA ASN 90 2.521 13.614 3.935 572 HB3 ASN 90 2HB ASN 90 1.795 12.075 1.849 573 HD21 ASN 90 1HD2 ASN 90 0.669 12.159 4.054 574 HD22 ASN 90 2HD2 ASN 90 -0.904 12.907 4.029 575 HA PRO 91 HA PRO 91 6.717 11.962 2.918 576 HB3 PRO 91 2HB PRO 91 7.539 13.014 4.836 577 HG3 PRO 91 2HG PRO 91 6.132 13.294 6.804 578 HD3 PRO 91 2HD PRO 91 5.077 14.309 5.018 579 H THR 92 H THR 92 4.075 10.607 4.917 580 HA THR 92 HA THR 92 4.945 7.982 5.156 581 HB THR 92 HB THR 92 2.118 9.040 4.859 582 HG1 THR 92 1HG THR 92 2.713 10.141 6.521 583 HG21 THR 92 3HG2 THR 92 3.218 6.614 6.312 584 HG22 THR 92 1HG2 THR 92 2.208 6.609 4.842 585 HG23 THR 92 2HG2 THR 92 1.533 7.179 6.377 586 H ALA 93 H ALA 93 2.540 9.181 2.713 587 HA ALA 93 HA ALA 93 2.637 7.161 0.840 588 HB1 ALA 93 1HB ALA 93 2.437 10.162 0.397 589 HB2 ALA 93 2HB ALA 93 2.033 8.910 -0.791 590 HB3 ALA 93 3HB ALA 93 1.093 9.032 0.699 591 H LYS 94 H LYS 94 4.797 10.070 1.023 592 HA LYS 94 HA LYS 94 6.211 9.616 -1.229 593 HB3 LYS 94 2HB LYS 94 7.519 10.789 1.256 594 HG3 LYS 94 2HG LYS 94 7.905 10.985 -1.725 595 HD3 LYS 94 2HD LYS 94 7.540 13.297 -0.965 596 HE3 LYS 94 2HE LYS 94 10.044 12.817 0.700 597 HZ1 LYS 94 3HZ LYS 94 9.342 15.200 1.334 598 HZ2 LYS 94 1HZ LYS 94 8.734 15.273 -0.196 599 HZ3 LYS 94 2HZ LYS 94 10.315 14.952 0.030 600 H TYR 95 H TYR 95 7.423 8.533 1.972 601 HA TYR 95 HA TYR 95 9.653 7.139 0.877 602 HB3 TYR 95 2HB TYR 95 9.513 5.855 3.092 603 HD1 TYR 95 1HD TYR 95 11.776 6.839 2.350 604 HD2 TYR 95 2HD TYR 95 8.789 9.041 4.584 605 HE1 TYR 95 1HE TYR 95 13.503 8.298 3.183 606 HE2 TYR 95 2HE TYR 95 10.565 10.536 5.438 607 HH TYR 95 HH TYR 95 13.972 10.258 4.365 608 H ARG 96 H ARG 96 6.337 5.856 1.782 609 HA ARG 96 HA ARG 96 7.090 3.184 1.274 610 HB3 ARG 96 2HB ARG 96 5.203 3.703 2.614 611 HG3 ARG 96 2HG ARG 96 3.725 4.300 0.015 612 HD3 ARG 96 2HD ARG 96 2.272 3.220 1.585 613 HE ARG 96 HE ARG 96 3.662 4.631 3.675 614 HH11 ARG 96 1HH1 ARG 96 0.331 3.723 2.774 615 HH12 ARG 96 2HH1 ARG 96 -0.205 3.476 4.385 616 HH21 ARG 96 1HH2 ARG 96 3.009 4.205 5.801 617 HH22 ARG 96 2HH2 ARG 96 1.353 3.805 6.175 618 H ALA 97 H ALA 97 5.766 5.623 -1.102 619 HA ALA 97 HA ALA 97 5.575 3.676 -3.164 620 HB1 ALA 97 1HB ALA 97 6.240 6.455 -3.946 621 HB2 ALA 97 2HB ALA 97 4.880 5.409 -4.399 622 HB3 ALA 97 3HB ALA 97 4.832 6.308 -2.880 623 H ARG 98 H ARG 98 8.205 5.960 -2.264 624 HA ARG 98 HA ARG 98 10.021 5.406 -4.288 625 HB3 ARG 98 2HB ARG 98 11.523 5.728 -1.847 626 HG3 ARG 98 2HG ARG 98 10.865 7.468 -4.161 627 HD3 ARG 98 2HD ARG 98 11.960 8.550 -1.532 628 HE ARG 98 HE ARG 98 12.727 10.210 -2.856 629 HH11 ARG 98 1HH1 ARG 98 9.776 8.971 -4.465 630 HH12 ARG 98 2HH1 ARG 98 9.589 10.301 -5.487 631 HH21 ARG 98 1HH2 ARG 98 12.393 12.158 -4.325 632 HH22 ARG 98 2HH2 ARG 98 11.215 11.950 -5.553 633 H LEU 99 H LEU 99 9.347 3.501 -1.418 634 HA LEU 99 HA LEU 99 11.519 1.637 -1.651 635 HB3 LEU 99 2HB LEU 99 8.815 1.635 -0.305 636 HG LEU 99 HG LEU 99 9.230 -0.732 -0.799 637 HD11 LEU 99 1HD1 LEU 99 11.265 -1.789 0.300 638 HD12 LEU 99 2HD1 LEU 99 11.923 -0.157 0.484 639 HD13 LEU 99 3HD1 LEU 99 11.631 -0.821 -1.131 640 HD21 LEU 99 3HD2 LEU 99 8.166 -0.109 1.290 641 HD22 LEU 99 1HD2 LEU 99 9.742 0.206 2.051 642 HD23 LEU 99 2HD2 LEU 99 9.291 -1.438 1.566 643 H MET 100 H MET 100 8.070 1.356 -2.666 644 HA MET 100 HA MET 100 8.312 -1.220 -3.755 645 HB3 MET 100 2HB MET 100 6.228 -0.708 -4.918 646 HG3 MET 100 2HG MET 100 4.841 -0.101 -3.121 647 HE1 MET 100 3HE MET 100 4.497 -2.659 -3.164 648 HE2 MET 100 1HE MET 100 4.541 -3.336 -1.524 649 HE3 MET 100 2HE MET 100 3.766 -1.758 -1.826 650 H LYS 101 H LYS 101 8.852 1.927 -5.306 651 HA LYS 101 HA LYS 101 9.241 1.388 -7.972 652 HB3 LYS 101 2HB LYS 101 11.161 3.000 -6.232 653 HG3 LYS 101 2HG LYS 101 11.050 2.949 -9.032 654 HD3 LYS 101 2HD LYS 101 9.213 5.051 -7.922 655 HE3 LYS 101 2HE LYS 101 11.128 5.727 -10.159 656 HZ1 LYS 101 3HZ LYS 101 8.827 7.121 -8.877 657 HZ2 LYS 101 1HZ LYS 101 8.948 6.648 -10.417 658 HZ3 LYS 101 2HZ LYS 101 9.888 7.888 -9.867 659 H LYS 102 H LYS 102 11.750 1.118 -5.562 660 HA LYS 102 HA LYS 102 13.705 -0.192 -7.165 661 HB3 LYS 102 2HB LYS 102 14.683 -0.752 -4.910 662 HG3 LYS 102 2HG LYS 102 14.038 2.046 -5.897 663 HD3 LYS 102 2HD LYS 102 14.717 1.988 -3.464 664 HE3 LYS 102 2HE LYS 102 17.561 1.772 -4.118 665 HZ1 LYS 102 3HZ LYS 102 16.012 -0.021 -2.359 666 HZ2 LYS 102 1HZ LYS 102 16.516 1.463 -1.871 667 HZ3 LYS 102 2HZ LYS 102 17.607 0.356 -2.277 668 H ILE 103 H ILE 103 11.022 -1.541 -5.186 669 HA ILE 103 HA ILE 103 12.088 -4.233 -5.175 670 HB ILE 103 HB ILE 103 9.281 -3.135 -4.716 671 HG13 ILE 103 2HG1 ILE 103 10.981 -2.471 -3.019 672 HG21 ILE 103 1HG2 ILE 103 8.604 -5.282 -3.916 673 HG22 ILE 103 2HG2 ILE 103 9.302 -5.539 -5.505 674 HG23 ILE 103 3HG2 ILE 103 10.257 -5.923 -4.055 675 HD11 ILE 103 3HD1 ILE 103 9.245 -4.657 -1.814 676 HD12 ILE 103 1HD1 ILE 103 9.955 -3.266 -1.000 677 HD13 ILE 103 2HD1 ILE 103 8.671 -3.019 -2.203 678 H ALA 104 H ALA 104 9.794 -2.402 -7.313 679 HA ALA 104 HA ALA 104 9.426 -4.525 -9.192 680 HB1 ALA 104 1HB ALA 104 7.932 -2.584 -9.042 681 HB2 ALA 104 2HB ALA 104 9.241 -1.504 -9.560 682 HB3 ALA 104 3HB ALA 104 8.613 -2.733 -10.671 683 H ASP 105 H ASP 105 12.073 -2.337 -8.667 684 HA ASP 105 HA ASP 105 13.241 -2.431 -11.344 685 HB3 ASP 105 2HB ASP 105 14.639 -1.808 -8.728 686 H LEU 106 H LEU 106 13.882 -4.033 -8.276 687 HA LEU 106 HA LEU 106 15.830 -5.934 -9.312 688 HB3 LEU 106 2HB LEU 106 15.671 -6.825 -7.002 689 HG LEU 106 HG LEU 106 15.898 -3.796 -7.123 690 HD11 LEU 106 1HD1 LEU 106 15.113 -4.418 -4.887 691 HD12 LEU 106 2HD1 LEU 106 16.796 -3.880 -4.853 692 HD13 LEU 106 3HD1 LEU 106 16.422 -5.618 -4.738 693 HD21 LEU 106 3HD2 LEU 106 17.710 -4.972 -8.232 694 HD22 LEU 106 1HD2 LEU 106 17.937 -6.051 -6.838 695 HD23 LEU 106 2HD2 LEU 106 18.312 -4.326 -6.695 696 H TRP 107 H TRP 107 12.582 -5.860 -9.890 697 HA TRP 107 HA TRP 107 11.812 -8.349 -8.921 698 HB3 TRP 107 2HB TRP 107 10.527 -7.042 -11.367 699 HD1 TRP 107 HD TRP 107 8.791 -8.921 -11.994 700 HE1 TRP 107 1HE TRP 107 7.096 -10.293 -10.734 701 HE3 TRP 107 3HE TRP 107 9.541 -6.939 -7.397 702 HZ2 TRP 107 2HZ TRP 107 6.019 -10.405 -8.024 703 HZ3 TRP 107 3HZ TRP 107 7.964 -7.487 -5.524 704 HH2 TRP 107 HH TRP 107 6.198 -9.211 -5.850 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -25.109 -4.945 26.358 2 HA2 GLY 1 1HA GLY 1 -27.039 -3.449 24.676 3 HA3 GLY 1 2HA GLY 1 -25.350 -3.775 24.254 4 H THR 2 H THR 2 -24.809 -5.868 23.411 5 HA THR 2 HA THR 2 -25.169 -7.805 22.304 6 HB THR 2 HB THR 2 -27.630 -8.303 24.008 7 HG1 THR 2 1HG THR 2 -24.966 -8.942 24.699 8 HG21 THR 2 3HG2 THR 2 -26.911 -10.643 23.904 9 HG22 THR 2 1HG2 THR 2 -25.529 -10.197 22.879 10 HG23 THR 2 2HG2 THR 2 -27.187 -10.009 22.281 11 H ASP 3 H ASP 3 -25.842 -5.518 21.135 12 HA ASP 3 HA ASP 3 -28.532 -5.521 19.971 13 HB3 ASP 3 2HB ASP 3 -27.892 -3.357 19.100 14 H PHE 4 H PHE 4 -28.432 -4.949 17.404 15 HA PHE 4 HA PHE 4 -26.061 -5.695 16.066 16 HB3 PHE 4 2HB PHE 4 -28.352 -7.335 15.020 17 HD1 PHE 4 2HD PHE 4 -25.047 -8.189 16.594 18 HD2 PHE 4 1HD PHE 4 -27.322 -7.960 12.937 19 HE1 PHE 4 2HE PHE 4 -23.266 -9.437 15.415 20 HE2 PHE 4 1HE PHE 4 -25.545 -9.212 11.762 21 HZ PHE 4 HZ PHE 4 -23.524 -9.980 12.995 22 H GLY 5 H GLY 5 -26.336 -5.234 13.671 23 HA2 GLY 5 1HA GLY 5 -28.599 -3.448 13.015 24 HA3 GLY 5 2HA GLY 5 -26.925 -2.892 12.833 25 H THR 6 H THR 6 -28.047 -2.755 10.518 26 HA THR 6 HA THR 6 -27.461 -5.247 8.997 27 HB THR 6 HB THR 6 -29.754 -5.261 10.029 28 HG1 THR 6 1HG THR 6 -30.742 -5.932 8.054 29 HG21 THR 6 3HG2 THR 6 -30.424 -3.145 7.951 30 HG22 THR 6 1HG2 THR 6 -30.350 -2.880 9.707 31 HG23 THR 6 2HG2 THR 6 -31.550 -3.984 9.032 32 H THR 7 H THR 7 -26.627 -2.133 9.080 33 HA THR 7 HA THR 7 -27.597 -0.845 6.859 34 HB THR 7 HB THR 7 -24.776 -0.500 7.912 35 HG1 THR 7 1HG THR 7 -27.058 0.469 9.259 36 HG21 THR 7 3HG2 THR 7 -25.351 1.926 7.885 37 HG22 THR 7 1HG2 THR 7 -26.926 1.529 7.169 38 HG23 THR 7 2HG2 THR 7 -25.428 1.201 6.284 39 H ASN 8 H ASN 8 -25.483 -3.548 6.634 40 HA ASN 8 HA ASN 8 -23.940 -2.410 4.385 41 HB3 ASN 8 2HB ASN 8 -23.345 -4.922 5.956 42 HD21 ASN 8 1HD2 ASN 8 -21.633 -5.964 4.966 43 HD22 ASN 8 2HD2 ASN 8 -20.378 -5.199 4.029 44 H ASN 9 H ASN 9 -26.758 -3.825 4.221 45 HA ASN 9 HA ASN 9 -26.061 -5.142 1.681 46 HB3 ASN 9 2HB ASN 9 -27.851 -6.438 3.754 47 HD21 ASN 9 1HD2 ASN 9 -28.788 -8.557 2.986 48 HD22 ASN 9 2HD2 ASN 9 -29.364 -8.612 1.333 49 H PHE 10 H PHE 10 -26.855 -3.478 0.500 50 HA PHE 10 HA PHE 10 -29.516 -3.555 -0.159 51 HB3 PHE 10 2HB PHE 10 -28.939 -0.746 0.793 52 HD1 PHE 10 1HD PHE 10 -31.725 -3.119 1.513 53 HD2 PHE 10 2HD PHE 10 -30.441 0.317 -0.761 54 HE1 PHE 10 1HE PHE 10 -34.055 -2.757 0.735 55 HE2 PHE 10 2HE PHE 10 -32.765 0.668 -1.539 56 HZ PHE 10 HZ PHE 10 -34.579 -0.866 -0.794 57 H VAL 11 H VAL 11 -29.847 -2.266 -2.117 58 HA VAL 11 HA VAL 11 -27.537 -1.857 -3.738 59 HB VAL 11 HB VAL 11 -29.250 -1.113 -5.390 60 HG11 VAL 11 1HG1 VAL 11 -30.044 -3.663 -3.934 61 HG12 VAL 11 2HG1 VAL 11 -30.384 -3.237 -5.627 62 HG13 VAL 11 3HG1 VAL 11 -28.714 -3.487 -5.096 63 HG21 VAL 11 3HG2 VAL 11 -31.615 -1.125 -4.907 64 HG22 VAL 11 1HG2 VAL 11 -31.330 -1.555 -3.210 65 HG23 VAL 11 2HG2 VAL 11 -30.815 0.031 -3.831 66 H SER 12 H SER 12 -27.792 0.343 -5.195 67 HA SER 12 HA SER 12 -27.827 2.683 -3.406 68 HB3 SER 12 2HB SER 12 -25.566 2.013 -3.151 69 HG SER 12 HG SER 12 -24.276 1.679 -5.131 70 HA PRO 13 HA PRO 13 -28.702 4.843 -7.367 71 HB3 PRO 13 2HB PRO 13 -29.398 6.664 -6.091 72 HG3 PRO 13 2HG PRO 13 -28.278 7.264 -4.060 73 HD3 PRO 13 2HD PRO 13 -28.974 5.020 -3.808 74 H ASN 14 H ASN 14 -27.224 6.387 -8.805 75 HA ASN 14 HA ASN 14 -24.804 4.819 -9.221 76 HB3 ASN 14 2HB ASN 14 -25.479 7.210 -10.883 77 HD21 ASN 14 1HD2 ASN 14 -25.726 3.844 -11.821 78 HD22 ASN 14 2HD2 ASN 14 -24.141 3.625 -12.488 79 H LEU 15 H LEU 15 -23.695 5.453 -7.257 80 HA LEU 15 HA LEU 15 -23.172 8.278 -6.885 81 HB3 LEU 15 2HB LEU 15 -22.237 5.927 -5.234 82 HG LEU 15 HG LEU 15 -21.388 8.364 -4.828 83 HD11 LEU 15 1HD1 LEU 15 -23.492 9.548 -5.166 84 HD12 LEU 15 2HD1 LEU 15 -22.940 9.781 -3.504 85 HD13 LEU 15 3HD1 LEU 15 -24.260 8.636 -3.834 86 HD21 LEU 15 3HD2 LEU 15 -22.805 6.838 -2.616 87 HD22 LEU 15 1HD2 LEU 15 -21.613 8.143 -2.386 88 HD23 LEU 15 2HD2 LEU 15 -21.133 6.611 -3.161 89 H GLN 16 H GLN 16 -21.849 8.745 -8.697 90 HA GLN 16 HA GLN 16 -19.097 7.744 -8.854 91 HB3 GLN 16 2HB GLN 16 -18.886 9.380 -10.661 92 HG3 GLN 16 2HG GLN 16 -21.605 8.035 -10.900 93 HE21 GLN 16 1HE2 GLN 16 -20.497 6.748 -13.326 94 HE22 GLN 16 2HE2 GLN 16 -20.631 7.987 -14.557 95 H LEU 17 H LEU 17 -19.711 8.845 -6.221 96 HA LEU 17 HA LEU 17 -17.684 10.882 -6.017 97 HB3 LEU 17 2HB LEU 17 -19.325 12.474 -6.519 98 HG LEU 17 HG LEU 17 -21.276 11.043 -4.666 99 HD11 LEU 17 1HD1 LEU 17 -21.329 13.954 -5.508 100 HD12 LEU 17 2HD1 LEU 17 -21.057 13.332 -3.865 101 HD13 LEU 17 3HD1 LEU 17 -22.614 13.087 -4.647 102 HD21 LEU 17 3HD2 LEU 17 -21.690 10.491 -6.990 103 HD22 LEU 17 1HD2 LEU 17 -21.504 12.183 -7.488 104 HD23 LEU 17 2HD2 LEU 17 -22.898 11.670 -6.523 105 H LYS 18 H LYS 18 -16.516 9.961 -4.428 106 HA LYS 18 HA LYS 18 -17.996 8.863 -2.070 107 HB3 LYS 18 2HB LYS 18 -16.503 6.898 -2.055 108 HG3 LYS 18 2HG LYS 18 -17.776 7.083 -4.804 109 HD3 LYS 18 2HD LYS 18 -16.536 4.947 -4.105 110 HE3 LYS 18 2HE LYS 18 -18.964 4.851 -2.244 111 HZ1 LYS 18 3HZ LYS 18 -17.015 2.668 -2.712 112 HZ2 LYS 18 1HZ LYS 18 -18.539 2.728 -3.369 113 HZ3 LYS 18 2HZ LYS 18 -18.366 2.642 -1.759 114 H GLN 19 H GLN 19 -16.229 8.170 -0.356 115 HA GLN 19 HA GLN 19 -14.660 10.514 0.339 116 HB3 GLN 19 2HB GLN 19 -15.975 9.150 1.961 117 HG3 GLN 19 2HG GLN 19 -13.802 7.038 1.842 118 HE21 GLN 19 1HE2 GLN 19 -14.425 7.658 4.280 119 HE22 GLN 19 2HE2 GLN 19 -15.774 6.746 4.933 120 H ASN 20 H ASN 20 -12.414 9.950 1.112 121 HA ASN 20 HA ASN 20 -10.713 8.761 -0.920 122 HB3 ASN 20 2HB ASN 20 -9.873 9.682 1.865 123 HD21 ASN 20 1HD2 ASN 20 -8.345 7.588 0.984 124 HD22 ASN 20 2HD2 ASN 20 -6.975 8.210 0.086 125 H VAL 21 H VAL 21 -11.044 6.751 -0.988 126 HA VAL 21 HA VAL 21 -10.945 4.894 1.379 127 HB VAL 21 HB VAL 21 -11.742 4.465 -1.515 128 HG11 VAL 21 1HG1 VAL 21 -12.668 2.260 -0.826 129 HG12 VAL 21 2HG1 VAL 21 -10.923 2.328 -0.637 130 HG13 VAL 21 3HG1 VAL 21 -11.968 2.482 0.790 131 HG21 VAL 21 3HG2 VAL 21 -14.059 4.150 -0.627 132 HG22 VAL 21 1HG2 VAL 21 -13.468 4.533 1.003 133 HG23 VAL 21 2HG2 VAL 21 -13.438 5.766 -0.268 134 H LEU 22 H LEU 22 -9.438 3.101 1.339 135 HA LEU 22 HA LEU 22 -6.893 3.771 0.070 136 HB3 LEU 22 2HB LEU 22 -6.150 1.645 1.331 137 HG LEU 22 HG LEU 22 -7.444 3.807 3.036 138 HD11 LEU 22 1HD1 LEU 22 -7.096 1.952 4.446 139 HD12 LEU 22 2HD1 LEU 22 -5.701 2.998 4.728 140 HD13 LEU 22 3HD1 LEU 22 -5.527 1.551 3.714 141 HD21 LEU 22 3HD2 LEU 22 -5.728 4.765 1.549 142 HD22 LEU 22 1HD2 LEU 22 -4.578 3.521 2.035 143 HD23 LEU 22 2HD2 LEU 22 -5.157 4.737 3.212 144 HA PRO 23 HA PRO 23 -6.948 0.801 -3.279 145 HB3 PRO 23 2HB PRO 23 -4.884 1.386 -4.021 146 HG3 PRO 23 2HG PRO 23 -3.392 2.470 -2.543 147 HD3 PRO 23 2HD PRO 23 -5.480 3.492 -2.039 148 HA PRO 24 HA PRO 24 -7.516 -3.254 -1.731 149 HB3 PRO 24 2HB PRO 24 -7.973 -3.963 -3.893 150 HG3 PRO 24 2HG PRO 24 -6.628 -3.239 -5.739 151 HD3 PRO 24 2HD PRO 24 -7.351 -1.288 -4.583 152 H THR 25 H THR 25 -6.508 -5.414 -1.101 153 HA THR 25 HA THR 25 -3.623 -5.443 -0.656 154 HB THR 25 HB THR 25 -4.355 -6.097 1.839 155 HG1 THR 25 1HG THR 25 -6.584 -5.560 1.644 156 HG21 THR 25 3HG2 THR 25 -4.200 -3.162 1.066 157 HG22 THR 25 1HG2 THR 25 -2.807 -4.238 1.022 158 HG23 THR 25 2HG2 THR 25 -3.625 -3.941 2.568 159 HA PRO 26 HA PRO 26 -4.462 -9.783 -1.146 160 HB3 PRO 26 2HB PRO 26 -2.156 -10.155 -1.151 161 HG3 PRO 26 2HG PRO 26 -0.734 -8.985 0.283 162 HD3 PRO 26 2HD PRO 26 -1.930 -7.251 -0.716 163 H LYS 27 H LYS 27 -5.606 -11.332 -0.114 164 HA LYS 27 HA LYS 27 -7.043 -10.507 2.288 165 HB3 LYS 27 2HB LYS 27 -8.364 -11.328 0.428 166 HG3 LYS 27 2HG LYS 27 -6.448 -13.657 0.538 167 HD3 LYS 27 2HD LYS 27 -8.822 -14.069 -1.170 168 HE3 LYS 27 2HE LYS 27 -7.680 -16.036 0.834 169 HZ1 LYS 27 3HZ LYS 27 -9.242 -16.817 -0.892 170 HZ2 LYS 27 1HZ LYS 27 -7.759 -17.497 -1.075 171 HZ3 LYS 27 2HZ LYS 27 -8.225 -16.279 -2.060 172 H ASN 28 H ASN 28 -4.561 -10.889 3.246 173 HA ASN 28 HA ASN 28 -4.597 -13.511 4.549 174 HB3 ASN 28 2HB ASN 28 -2.020 -13.402 4.328 175 HD21 ASN 28 1HD2 ASN 28 -3.508 -13.353 1.032 176 HD22 ASN 28 2HD2 ASN 28 -3.567 -15.095 1.040 177 H ILE 29 H ILE 29 -3.410 -10.047 4.475 178 HA ILE 29 HA ILE 29 -3.771 -10.015 7.347 179 HB ILE 29 HB ILE 29 -1.605 -9.212 7.856 180 HG13 ILE 29 2HG1 ILE 29 0.226 -8.830 6.386 181 HG21 ILE 29 1HG2 ILE 29 -1.214 -11.620 6.084 182 HG22 ILE 29 2HG2 ILE 29 -0.056 -11.002 7.275 183 HG23 ILE 29 3HG2 ILE 29 -1.659 -11.600 7.802 184 HD11 ILE 29 3HD1 ILE 29 -1.506 -9.206 3.917 185 HD12 ILE 29 1HD1 ILE 29 0.243 -8.889 4.088 186 HD13 ILE 29 2HD1 ILE 29 -0.380 -10.464 4.489 187 HA PRO 30 HA PRO 30 -5.213 -5.998 6.108 188 HB3 PRO 30 2HB PRO 30 -6.215 -5.974 8.193 189 HG3 PRO 30 2HG PRO 30 -5.021 -6.617 10.166 190 HD3 PRO 30 2HD PRO 30 -4.755 -8.500 8.764 191 H LEU 31 H LEU 31 -4.562 -3.800 5.700 192 HA LEU 31 HA LEU 31 -2.272 -3.066 4.661 193 HB3 LEU 31 2HB LEU 31 -4.020 -1.306 6.374 194 HG LEU 31 HG LEU 31 -3.394 0.429 4.613 195 HD11 LEU 31 1HD1 LEU 31 -1.267 -0.030 6.723 196 HD12 LEU 31 2HD1 LEU 31 -2.859 0.708 7.003 197 HD13 LEU 31 3HD1 LEU 31 -1.698 1.487 5.923 198 HD21 LEU 31 3HD2 LEU 31 -1.244 0.469 3.604 199 HD22 LEU 31 1HD2 LEU 31 -1.955 -1.106 3.217 200 HD23 LEU 31 2HD2 LEU 31 -0.704 -0.976 4.457 201 HA PRO 32 HA PRO 32 0.129 -1.448 8.434 202 HB3 PRO 32 2HB PRO 32 -1.070 -0.835 10.266 203 HG3 PRO 32 2HG PRO 32 -3.146 -1.897 10.759 204 HD3 PRO 32 2HD PRO 32 -3.255 -1.321 8.464 205 H ALA 33 H ALA 33 -0.981 -4.829 8.335 206 HA ALA 33 HA ALA 33 1.562 -5.901 9.397 207 HB1 ALA 33 1HB ALA 33 -0.996 -7.163 8.371 208 HB2 ALA 33 2HB ALA 33 0.437 -8.060 8.938 209 HB3 ALA 33 3HB ALA 33 -0.500 -7.050 10.069 210 H PHE 34 H PHE 34 -0.434 -5.443 6.482 211 HA PHE 34 HA PHE 34 1.172 -6.831 4.781 212 HB3 PHE 34 2HB PHE 34 -0.713 -4.568 4.181 213 HD1 PHE 34 1HD PHE 34 0.836 -7.682 2.612 214 HD2 PHE 34 2HD PHE 34 -0.775 -3.719 2.019 215 HE1 PHE 34 1HE PHE 34 1.314 -7.840 0.201 216 HE2 PHE 34 2HE PHE 34 -0.396 -3.932 -0.388 217 HZ PHE 34 HZ PHE 34 0.604 -5.997 -1.338 218 H GLY 35 H GLY 35 1.883 -3.875 6.231 219 HA2 GLY 35 1HA GLY 35 4.076 -3.324 4.259 220 HA3 GLY 35 2HA GLY 35 3.425 -2.166 5.387 221 H GLN 36 H GLN 36 3.420 -3.227 7.833 222 HA GLN 36 HA GLN 36 6.153 -2.839 8.387 223 HB3 GLN 36 2HB GLN 36 5.457 -3.058 10.751 224 HG3 GLN 36 2HG GLN 36 3.564 -1.445 8.982 225 HE21 GLN 36 1HE2 GLN 36 1.951 -0.341 10.007 226 HE22 GLN 36 2HE2 GLN 36 1.742 -0.407 11.762 227 H ARG 37 H ARG 37 4.519 -5.900 7.900 228 HA ARG 37 HA ARG 37 7.024 -7.255 8.827 229 HB3 ARG 37 2HB ARG 37 5.596 -9.173 9.555 230 HG3 ARG 37 2HG ARG 37 4.939 -6.665 11.130 231 HD3 ARG 37 2HD ARG 37 5.446 -9.593 11.781 232 HE ARG 37 HE ARG 37 6.571 -7.674 13.260 233 HH11 ARG 37 1HH1 ARG 37 3.713 -9.725 14.085 234 HH12 ARG 37 2HH1 ARG 37 4.397 -10.108 15.642 235 HH21 ARG 37 1HH2 ARG 37 7.241 -8.091 15.381 236 HH22 ARG 37 2HH2 ARG 37 6.271 -9.079 16.423 237 H ILE 38 H ILE 38 6.181 -6.279 6.185 238 HA ILE 38 HA ILE 38 6.399 -8.828 4.695 239 HB ILE 38 HB ILE 38 4.255 -6.745 4.207 240 HG13 ILE 38 2HG1 ILE 38 2.581 -8.338 4.707 241 HG21 ILE 38 1HG2 ILE 38 5.029 -9.189 2.605 242 HG22 ILE 38 2HG2 ILE 38 3.445 -8.370 2.427 243 HG23 ILE 38 3HG2 ILE 38 4.943 -7.512 2.068 244 HD11 ILE 38 3HD1 ILE 38 4.623 -10.434 4.968 245 HD12 ILE 38 1HD1 ILE 38 3.156 -10.442 5.972 246 HD13 ILE 38 2HD1 ILE 38 2.988 -10.410 4.218 247 H ILE 39 H ILE 39 6.269 -5.238 4.550 248 HA ILE 39 HA ILE 39 7.900 -5.244 2.083 249 HB ILE 39 HB ILE 39 6.134 -3.157 3.428 250 HG13 ILE 39 2HG1 ILE 39 4.477 -3.573 1.753 251 HG21 ILE 39 1HG2 ILE 39 7.470 -3.006 0.728 252 HG22 ILE 39 2HG2 ILE 39 6.151 -1.933 1.257 253 HG23 ILE 39 3HG2 ILE 39 7.699 -1.931 2.101 254 HD11 ILE 39 3HD1 ILE 39 4.654 -5.629 0.259 255 HD12 ILE 39 1HD1 ILE 39 5.643 -4.248 -0.250 256 HD13 ILE 39 2HD1 ILE 39 6.389 -5.632 0.585 257 H GLY 40 H GLY 40 8.307 -4.827 5.434 258 HA2 GLY 40 1HA GLY 40 10.184 -4.232 6.609 259 HA3 GLY 40 2HA GLY 40 11.033 -4.067 5.078 260 H TRP 41 H TRP 41 8.218 -2.111 5.244 261 HA TRP 41 HA TRP 41 9.934 0.264 5.127 262 HB3 TRP 41 2HB TRP 41 8.082 -0.261 3.492 263 HD1 TRP 41 HD TRP 41 6.431 -0.532 6.794 264 HE1 TRP 41 1HE TRP 41 3.936 -0.175 6.677 265 HE3 TRP 41 3HE TRP 41 6.052 0.960 1.881 266 HZ2 TRP 41 2HZ TRP 41 1.941 0.152 4.593 267 HZ3 TRP 41 3HZ TRP 41 3.821 0.986 0.824 268 HH2 TRP 41 HH TRP 41 1.772 0.567 2.157 269 H GLY 42 H GLY 42 8.954 -1.256 7.782 270 HA2 GLY 42 1HA GLY 42 8.316 -0.607 9.854 271 HA3 GLY 42 2HA GLY 42 9.448 0.727 9.577 272 H THR 43 H THR 43 8.529 2.602 10.011 273 HA THR 43 HA THR 43 5.591 3.021 9.614 274 HB THR 43 HB THR 43 6.276 2.903 12.492 275 HG1 THR 43 1HG THR 43 5.536 0.682 12.439 276 HG21 THR 43 3HG2 THR 43 3.958 2.254 12.614 277 HG22 THR 43 1HG2 THR 43 3.888 1.984 10.845 278 HG23 THR 43 2HG2 THR 43 4.064 3.620 11.511 279 H GLY 44 H GLY 44 7.809 4.824 8.908 280 HA2 GLY 44 1HA GLY 44 6.560 7.198 9.784 281 HA3 GLY 44 2HA GLY 44 7.910 6.949 10.880 282 H ALA 45 H ALA 45 7.440 6.588 7.385 283 HA ALA 45 HA ALA 45 8.441 7.317 5.539 284 HB1 ALA 45 1HB ALA 45 9.469 9.491 5.400 285 HB2 ALA 45 2HB ALA 45 8.019 9.596 6.426 286 HB3 ALA 45 3HB ALA 45 9.636 9.591 7.154 287 H GLU 46 H GLU 46 10.788 7.714 8.163 288 HA GLU 46 HA GLU 46 13.207 7.117 6.980 289 HB3 GLU 46 2HB GLU 46 13.091 5.870 9.536 290 HG3 GLU 46 2HG GLU 46 13.627 8.783 9.641 291 H GLY 47 H GLY 47 10.837 4.841 8.438 292 HA2 GLY 47 1HA GLY 47 12.238 2.490 8.120 293 HA3 GLY 47 2HA GLY 47 10.491 2.593 8.095 294 H ALA 48 H ALA 48 10.153 4.109 5.708 295 HA ALA 48 HA ALA 48 10.409 2.011 3.696 296 HB1 ALA 48 1HB ALA 48 9.409 4.894 3.458 297 HB2 ALA 48 2HB ALA 48 9.240 3.637 2.210 298 HB3 ALA 48 3HB ALA 48 8.389 3.482 3.756 299 H ARG 49 H ARG 49 12.149 4.963 4.592 300 HA ARG 49 HA ARG 49 13.542 5.292 2.043 301 HB3 ARG 49 2HB ARG 49 13.816 6.398 4.880 302 HG3 ARG 49 2HG ARG 49 15.134 8.252 3.518 303 HD3 ARG 49 2HD ARG 49 16.501 5.764 4.543 304 HE ARG 49 HE ARG 49 18.031 7.443 3.647 305 HH11 ARG 49 1HH1 ARG 49 16.720 8.018 6.887 306 HH12 ARG 49 2HH1 ARG 49 17.602 9.470 7.183 307 HH21 ARG 49 1HH2 ARG 49 19.534 9.027 4.250 308 HH22 ARG 49 2HH2 ARG 49 19.276 10.007 5.691 309 H GLN 50 H GLN 50 14.176 3.692 5.167 310 HA GLN 50 HA GLN 50 16.880 2.970 4.657 311 HB3 GLN 50 2HB GLN 50 16.121 1.113 6.417 312 HG3 GLN 50 2HG GLN 50 16.284 4.073 6.795 313 HE21 GLN 50 1HE2 GLN 50 15.476 5.071 8.528 314 HE22 GLN 50 2HE2 GLN 50 14.364 4.288 9.672 315 H ARG 51 H ARG 51 13.820 1.548 3.568 316 HA ARG 51 HA ARG 51 15.277 -0.923 2.858 317 HB3 ARG 51 2HB ARG 51 12.292 -0.482 2.461 318 HG3 ARG 51 2HG ARG 51 13.388 -2.723 2.032 319 HD3 ARG 51 2HD ARG 51 13.510 -2.771 5.098 320 HE ARG 51 HE ARG 51 13.318 -4.885 3.282 321 HH11 ARG 51 1HH1 ARG 51 15.897 -3.903 5.570 322 HH12 ARG 51 2HH1 ARG 51 16.479 -5.527 5.712 323 HH21 ARG 51 1HH2 ARG 51 14.136 -6.949 3.561 324 HH22 ARG 51 2HH2 ARG 51 15.576 -7.206 4.550 325 H LEU 52 H LEU 52 14.173 1.909 1.433 326 HA LEU 52 HA LEU 52 13.643 1.067 -1.246 327 HB3 LEU 52 2HB LEU 52 14.319 3.669 0.173 328 HG LEU 52 HG LEU 52 15.033 4.031 -2.143 329 HD11 LEU 52 1HD1 LEU 52 13.700 2.242 -3.259 330 HD12 LEU 52 2HD1 LEU 52 13.469 3.811 -4.020 331 HD13 LEU 52 3HD1 LEU 52 12.229 3.162 -2.925 332 HD21 LEU 52 3HD2 LEU 52 12.374 5.317 -1.496 333 HD22 LEU 52 1HD2 LEU 52 13.538 5.892 -2.717 334 HD23 LEU 52 2HD2 LEU 52 14.013 5.867 -1.016 335 H GLU 53 H GLU 53 16.389 2.828 0.215 336 HA GLU 53 HA GLU 53 17.561 3.234 -2.348 337 HB3 GLU 53 2HB GLU 53 19.223 4.543 -1.056 338 HG3 GLU 53 2HG GLU 53 16.431 4.874 0.128 339 H ASN 54 H ASN 54 17.658 0.475 -0.680 340 HA ASN 54 HA ASN 54 20.296 -0.403 -1.655 341 HB3 ASN 54 2HB ASN 54 20.796 0.528 0.514 342 HD21 ASN 54 1HD2 ASN 54 19.684 1.705 2.134 343 HD22 ASN 54 2HD2 ASN 54 18.119 1.123 2.730 344 H ILE 55 H ILE 55 17.286 -1.050 -2.047 345 HA ILE 55 HA ILE 55 16.548 -3.239 -0.632 346 HB ILE 55 HB ILE 55 15.263 -1.736 -2.283 347 HG13 ILE 55 2HG1 ILE 55 14.389 -3.795 -0.939 348 HG21 ILE 55 1HG2 ILE 55 16.586 -2.387 -4.329 349 HG22 ILE 55 2HG2 ILE 55 15.874 -4.010 -4.229 350 HG23 ILE 55 3HG2 ILE 55 14.835 -2.624 -4.529 351 HD11 ILE 55 3HD1 ILE 55 12.844 -2.962 -3.405 352 HD12 ILE 55 1HD1 ILE 55 12.202 -3.539 -1.852 353 HD13 ILE 55 2HD1 ILE 55 13.039 -1.966 -1.940 354 H GLN 56 H GLN 56 16.232 -5.549 -1.225 355 HA GLN 56 HA GLN 56 18.556 -6.573 -2.812 356 HB3 GLN 56 2HB GLN 56 18.247 -8.644 -1.367 357 HG3 GLN 56 2HG GLN 56 19.883 -6.539 -0.936 358 HE21 GLN 56 1HE2 GLN 56 19.417 -4.498 0.161 359 HE22 GLN 56 2HE2 GLN 56 18.867 -4.472 1.793 360 HA PRO 57 HA PRO 57 15.543 -8.751 -5.307 361 HB3 PRO 57 2HB PRO 57 17.179 -9.244 -6.580 362 HG3 PRO 57 2HG PRO 57 19.358 -9.835 -5.826 363 HD3 PRO 57 2HD PRO 57 18.943 -7.845 -4.731 364 H ALA 58 H ALA 58 16.568 -9.923 -2.320 365 HA ALA 58 HA ALA 58 14.666 -12.157 -2.223 366 HB1 ALA 58 1HB ALA 58 15.438 -12.229 0.160 367 HB2 ALA 58 2HB ALA 58 16.803 -12.247 -1.004 368 HB3 ALA 58 3HB ALA 58 16.389 -10.745 -0.130 369 H ASP 59 H ASP 59 14.720 -8.723 -1.560 370 HA ASP 59 HA ASP 59 12.813 -8.876 0.582 371 HB3 ASP 59 2HB ASP 59 13.326 -6.347 -1.010 372 H VAL 60 H VAL 60 12.438 -8.862 -2.799 373 HA VAL 60 HA VAL 60 9.559 -8.185 -2.625 374 HB VAL 60 HB VAL 60 11.275 -8.884 -5.032 375 HG11 VAL 60 1HG1 VAL 60 8.894 -9.338 -5.441 376 HG12 VAL 60 2HG1 VAL 60 8.515 -7.670 -4.971 377 HG13 VAL 60 3HG1 VAL 60 9.506 -7.985 -6.396 378 HG21 VAL 60 3HG2 VAL 60 10.961 -6.388 -5.510 379 HG22 VAL 60 1HG2 VAL 60 10.456 -6.229 -3.820 380 HG23 VAL 60 2HG2 VAL 60 12.095 -6.729 -4.232 381 H SER 61 H SER 61 11.826 -10.949 -3.068 382 HA SER 61 HA SER 61 9.696 -12.790 -3.714 383 HB3 SER 61 2HB SER 61 12.032 -13.069 -4.547 384 HG SER 61 HG SER 61 13.609 -13.693 -3.294 385 H MET 62 H MET 62 9.629 -11.248 -1.086 386 HA MET 62 HA MET 62 8.922 -13.563 0.650 387 HB3 MET 62 2HB MET 62 10.659 -11.966 1.519 388 HG3 MET 62 2HG MET 62 8.406 -9.974 1.811 389 HE1 MET 62 3HE MET 62 8.979 -10.071 4.289 390 HE2 MET 62 1HE MET 62 10.303 -11.242 4.147 391 HE3 MET 62 2HE MET 62 10.563 -9.724 5.039 392 H ILE 63 H ILE 63 7.818 -10.747 -1.125 393 HA ILE 63 HA ILE 63 5.342 -10.455 0.310 394 HB ILE 63 HB ILE 63 6.138 -9.350 -2.420 395 HG13 ILE 63 2HG1 ILE 63 7.885 -8.820 -0.619 396 HG21 ILE 63 1HG2 ILE 63 4.566 -7.503 -1.849 397 HG22 ILE 63 2HG2 ILE 63 3.767 -9.055 -1.860 398 HG23 ILE 63 3HG2 ILE 63 4.187 -8.305 -0.308 399 HD11 ILE 63 3HD1 ILE 63 7.530 -7.427 -2.613 400 HD12 ILE 63 1HD1 ILE 63 6.442 -6.388 -1.682 401 HD13 ILE 63 2HD1 ILE 63 8.139 -6.542 -1.197 402 H LYS 64 H LYS 64 6.322 -12.103 -2.721 403 HA LYS 64 HA LYS 64 3.605 -12.655 -3.546 404 HB3 LYS 64 2HB LYS 64 4.454 -14.109 -5.145 405 HG3 LYS 64 2HG LYS 64 5.253 -11.575 -5.127 406 HD3 LYS 64 2HD LYS 64 7.565 -12.372 -4.295 407 HE3 LYS 64 2HE LYS 64 7.525 -13.687 -6.860 408 HZ1 LYS 64 3HZ LYS 64 9.364 -11.362 -6.798 409 HZ2 LYS 64 1HZ LYS 64 8.279 -11.796 -7.963 410 HZ3 LYS 64 2HZ LYS 64 9.594 -12.681 -7.752 411 H LYS 65 H LYS 65 5.736 -14.151 -1.107 412 HA LYS 65 HA LYS 65 4.270 -16.630 -1.015 413 HB3 LYS 65 2HB LYS 65 5.335 -16.621 1.372 414 HG3 LYS 65 2HG LYS 65 6.406 -17.435 -1.048 415 HD3 LYS 65 2HD LYS 65 8.109 -15.295 -0.111 416 HE3 LYS 65 2HE LYS 65 9.171 -17.485 0.981 417 HZ1 LYS 65 3HZ LYS 65 10.789 -18.367 -0.654 418 HZ2 LYS 65 1HZ LYS 65 10.001 -17.594 -1.864 419 HZ3 LYS 65 2HZ LYS 65 9.237 -18.796 -1.052 420 H GLN 66 H GLN 66 3.464 -13.398 -0.031 421 HA GLN 66 HA GLN 66 1.843 -14.195 2.191 422 HB3 GLN 66 2HB GLN 66 1.479 -11.946 2.601 423 HG3 GLN 66 2HG GLN 66 3.706 -10.889 2.266 424 HE21 GLN 66 1HE2 GLN 66 5.916 -12.615 2.661 425 HE22 GLN 66 2HE2 GLN 66 5.750 -12.932 4.352 426 H GLY 67 H GLY 67 1.359 -14.653 -1.038 427 HA2 GLY 67 1HA GLY 67 -0.555 -15.050 -2.267 428 HA3 GLY 67 2HA GLY 67 -1.528 -14.488 -0.897 429 H THR 68 H THR 68 1.128 -12.574 -2.216 430 HA THR 68 HA THR 68 -0.814 -10.455 -2.985 431 HB THR 68 HB THR 68 2.206 -10.218 -3.038 432 HG1 THR 68 1HG THR 68 2.147 -10.713 -1.023 433 HG21 THR 68 3HG2 THR 68 -0.045 -8.249 -2.412 434 HG22 THR 68 1HG2 THR 68 0.964 -8.273 -3.879 435 HG23 THR 68 2HG2 THR 68 1.689 -7.888 -2.323 436 H THR 69 H THR 69 -0.549 -9.385 -5.168 437 HA THR 69 HA THR 69 1.045 -10.905 -7.106 438 HB THR 69 HB THR 69 -0.645 -10.424 -8.804 439 HG1 THR 69 1HG THR 69 -2.659 -9.806 -8.292 440 HG21 THR 69 3HG2 THR 69 -1.744 -12.163 -6.564 441 HG22 THR 69 1HG2 THR 69 -0.491 -12.655 -7.724 442 HG23 THR 69 2HG2 THR 69 -2.124 -12.271 -8.298 443 H LEU 70 H LEU 70 1.361 -9.440 -9.125 444 HA LEU 70 HA LEU 70 2.756 -7.141 -8.206 445 HB3 LEU 70 2HB LEU 70 1.883 -7.985 -11.008 446 HG LEU 70 HG LEU 70 2.633 -5.673 -11.158 447 HD11 LEU 70 1HD1 LEU 70 3.870 -5.314 -9.098 448 HD12 LEU 70 2HD1 LEU 70 4.981 -5.108 -10.451 449 HD13 LEU 70 3HD1 LEU 70 5.023 -6.604 -9.501 450 HD21 LEU 70 3HD2 LEU 70 3.440 -7.418 -12.796 451 HD22 LEU 70 1HD2 LEU 70 4.956 -7.511 -11.883 452 HD23 LEU 70 2HD2 LEU 70 4.487 -5.999 -12.674 453 H GLU 71 H GLU 71 -0.501 -7.607 -9.548 454 HA GLU 71 HA GLU 71 -1.162 -4.895 -10.141 455 HB3 GLU 71 2HB GLU 71 -3.498 -5.827 -9.731 456 HG3 GLU 71 2HG GLU 71 -1.680 -7.391 -11.576 457 H MET 72 H MET 72 -1.080 -6.743 -7.162 458 HA MET 72 HA MET 72 -2.648 -4.841 -5.679 459 HB3 MET 72 2HB MET 72 -0.874 -6.309 -3.950 460 HG3 MET 72 2HG MET 72 -3.453 -5.611 -3.877 461 HE1 MET 72 3HE MET 72 -3.214 -9.371 -3.143 462 HE2 MET 72 1HE MET 72 -4.206 -10.150 -4.391 463 HE3 MET 72 2HE MET 72 -2.607 -9.511 -4.811 464 H ILE 73 H ILE 73 0.667 -4.841 -6.757 465 HA ILE 73 HA ILE 73 1.571 -3.001 -4.616 466 HB ILE 73 HB ILE 73 3.043 -4.196 -7.000 467 HG13 ILE 73 2HG1 ILE 73 4.083 -5.732 -5.369 468 HG21 ILE 73 1HG2 ILE 73 4.163 -2.176 -6.237 469 HG22 ILE 73 2HG2 ILE 73 4.177 -2.769 -4.565 470 HG23 ILE 73 3HG2 ILE 73 5.116 -3.589 -5.836 471 HD11 ILE 73 3HD1 ILE 73 1.837 -4.933 -3.455 472 HD12 ILE 73 1HD1 ILE 73 3.031 -6.222 -3.229 473 HD13 ILE 73 2HD1 ILE 73 3.554 -4.528 -3.207 474 H THR 74 H THR 74 0.852 -3.065 -8.136 475 HA THR 74 HA THR 74 1.863 -0.451 -8.692 476 HB THR 74 HB THR 74 0.344 -0.800 -10.756 477 HG1 THR 74 1HG THR 74 -1.072 -2.368 -10.036 478 HG21 THR 74 3HG2 THR 74 2.770 -1.285 -10.752 479 HG22 THR 74 1HG2 THR 74 1.913 -2.551 -11.644 480 HG23 THR 74 2HG2 THR 74 2.481 -2.873 -10.001 481 H ALA 75 H ALA 75 -1.290 -1.495 -7.379 482 HA ALA 75 HA ALA 75 -2.356 1.182 -7.699 483 HB1 ALA 75 1HB ALA 75 -4.053 0.560 -6.151 484 HB2 ALA 75 2HB ALA 75 -3.803 -0.723 -7.341 485 HB3 ALA 75 3HB ALA 75 -3.166 -0.922 -5.676 486 H TRP 76 H TRP 76 -0.497 -0.411 -5.011 487 HA TRP 76 HA TRP 76 -0.962 1.833 -3.210 488 HB3 TRP 76 2HB TRP 76 1.175 0.833 -2.069 489 HD1 TRP 76 HD TRP 76 -0.826 -2.241 -2.514 490 HE1 TRP 76 1HE TRP 76 -2.698 -2.451 -0.797 491 HE3 TRP 76 3HE TRP 76 -0.621 2.450 -0.555 492 HZ2 TRP 76 2HZ TRP 76 -3.816 -0.872 1.324 493 HZ3 TRP 76 3HZ TRP 76 -2.129 3.095 1.307 494 HH2 TRP 76 HH TRP 76 -3.731 1.393 2.254 495 H GLN 77 H GLN 77 1.625 1.135 -5.713 496 HA GLN 77 HA GLN 77 3.375 2.996 -4.676 497 HB3 GLN 77 2HB GLN 77 3.845 1.286 -6.099 498 HG3 GLN 77 2HG GLN 77 2.206 2.003 -8.039 499 HE21 GLN 77 1HE2 GLN 77 5.572 3.193 -7.922 500 HE22 GLN 77 2HE2 GLN 77 5.172 4.443 -9.033 501 H ASP 78 H ASP 78 0.955 3.231 -7.243 502 HA ASP 78 HA ASP 78 1.297 5.964 -7.946 503 HB3 ASP 78 2HB ASP 78 -1.398 4.629 -8.212 504 H PHE 79 H PHE 79 -0.816 4.310 -5.606 505 HA PHE 79 HA PHE 79 -2.498 6.466 -4.919 506 HB3 PHE 79 2HB PHE 79 -1.468 4.171 -3.232 507 HD1 PHE 79 1HD PHE 79 -4.857 5.705 -3.383 508 HD2 PHE 79 2HD PHE 79 -1.263 5.208 -1.041 509 HE1 PHE 79 1HE PHE 79 -6.005 6.670 -1.424 510 HE2 PHE 79 2HE PHE 79 -2.406 6.226 0.916 511 HZ PHE 79 HZ PHE 79 -4.777 6.973 0.726 512 H TYR 80 H TYR 80 0.702 5.540 -3.642 513 HA TYR 80 HA TYR 80 0.811 7.781 -1.816 514 HB3 TYR 80 2HB TYR 80 3.291 7.087 -1.734 515 HD1 TYR 80 2HD TYR 80 1.192 7.215 0.258 516 HD2 TYR 80 1HD TYR 80 2.895 3.792 -1.700 517 HE1 TYR 80 2HE TYR 80 0.325 5.797 2.062 518 HE2 TYR 80 1HE TYR 80 1.996 2.313 0.098 519 HH TYR 80 HH TYR 80 0.349 2.294 1.910 520 H GLU 81 H GLU 81 1.925 7.286 -5.197 521 HA GLU 81 HA GLU 81 3.572 9.612 -5.394 522 HB3 GLU 81 2HB GLU 81 2.867 9.426 -7.876 523 HG3 GLU 81 2HG GLU 81 3.870 6.914 -6.490 524 H GLN 82 H GLN 82 0.007 9.331 -5.595 525 HA GLN 82 HA GLN 82 -0.427 11.968 -6.522 526 HB3 GLN 82 2HB GLN 82 -2.654 11.836 -5.602 527 HG3 GLN 82 2HG GLN 82 -3.552 9.909 -6.632 528 HE21 GLN 82 1HE2 GLN 82 -0.764 8.818 -8.276 529 HE22 GLN 82 2HE2 GLN 82 -0.582 10.127 -9.428 530 H GLU 83 H GLU 83 0.509 10.877 -3.294 531 HA GLU 83 HA GLU 83 -0.532 13.068 -1.785 532 HB3 GLU 83 2HB GLU 83 1.065 12.283 -0.050 533 HG3 GLU 83 2HG GLU 83 0.409 9.684 -0.231 534 H GLN 84 H GLN 84 2.327 12.526 -3.775 535 HA GLN 84 HA GLN 84 3.821 14.646 -2.533 536 HB3 GLN 84 2HB GLN 84 5.315 14.190 -4.655 537 HG3 GLN 84 2HG GLN 84 5.830 13.594 -2.322 538 HE21 GLN 84 1HE2 GLN 84 5.131 10.429 -3.820 539 HE22 GLN 84 2HE2 GLN 84 3.833 10.003 -2.695 540 H GLN 85 H GLN 85 1.656 14.430 -5.282 541 HA GLN 85 HA GLN 85 2.398 16.971 -6.515 542 HB3 GLN 85 2HB GLN 85 0.177 16.825 -7.573 543 HG3 GLN 85 2HG GLN 85 1.731 14.231 -7.636 544 HE21 GLN 85 1HE2 GLN 85 -0.246 13.090 -7.886 545 HE22 GLN 85 2HE2 GLN 85 -0.976 12.970 -9.455 546 H ARG 86 H ARG 86 -0.262 15.868 -4.423 547 HA ARG 86 HA ARG 86 -1.207 18.522 -3.878 548 HB3 ARG 86 2HB ARG 86 -2.679 16.676 -3.484 549 HG3 ARG 86 2HG ARG 86 -0.775 15.919 -1.246 550 HD3 ARG 86 2HD ARG 86 -2.906 14.004 -1.785 551 HE ARG 86 HE ARG 86 -2.090 13.602 0.313 552 HH11 ARG 86 1HH1 ARG 86 -3.045 17.012 0.107 553 HH12 ARG 86 2HH1 ARG 86 -2.665 17.358 1.761 554 HH21 ARG 86 1HH2 ARG 86 -1.391 14.185 2.528 555 HH22 ARG 86 2HH2 ARG 86 -1.438 15.851 3.002 556 H ASN 87 H ASN 87 1.435 16.676 -2.166 557 HA ASN 87 HA ASN 87 2.293 19.224 -1.365 558 HB3 ASN 87 2HB ASN 87 0.801 18.805 0.538 559 HD21 ASN 87 1HD2 ASN 87 1.152 15.754 -0.139 560 HD22 ASN 87 2HD2 ASN 87 1.145 15.123 1.479 561 H GLU 88 H GLU 88 4.424 19.191 -1.857 562 HA GLU 88 HA GLU 88 6.044 16.882 -2.182 563 HB3 GLU 88 2HB GLU 88 7.959 18.506 -1.917 564 HG3 GLU 88 2HG GLU 88 6.015 19.858 -3.750 565 H ASN 89 H ASN 89 5.079 18.560 0.682 566 HA ASN 89 HA ASN 89 7.299 17.779 2.400 567 HB3 ASN 89 2HB ASN 89 5.663 18.742 4.192 568 HD21 ASN 89 1HD2 ASN 89 5.742 20.824 1.335 569 HD22 ASN 89 2HD2 ASN 89 7.194 21.687 1.743 570 H ASN 90 H ASN 90 5.762 15.553 1.093 571 HA ASN 90 HA ASN 90 4.757 14.162 3.541 572 HB3 ASN 90 2HB ASN 90 3.922 13.712 0.626 573 HD21 ASN 90 1HD2 ASN 90 3.888 11.502 1.798 574 HD22 ASN 90 2HD2 ASN 90 2.356 11.072 2.632 575 HA PRO 91 HA PRO 91 8.570 12.134 1.878 576 HB3 PRO 91 2HB PRO 91 9.853 13.180 3.526 577 HG3 PRO 91 2HG PRO 91 8.859 13.738 5.647 578 HD3 PRO 91 2HD PRO 91 7.568 14.719 4.033 579 H THR 92 H THR 92 6.289 11.087 4.441 580 HA THR 92 HA THR 92 6.835 8.437 4.669 581 HB THR 92 HB THR 92 3.998 9.519 4.572 582 HG1 THR 92 1HG THR 92 4.559 10.979 5.934 583 HG21 THR 92 3HG2 THR 92 4.436 7.120 5.172 584 HG22 THR 92 1HG2 THR 92 3.738 8.049 6.519 585 HG23 THR 92 2HG2 THR 92 5.473 7.668 6.513 586 H ALA 93 H ALA 93 4.240 9.703 2.520 587 HA ALA 93 HA ALA 93 3.981 7.368 0.965 588 HB1 ALA 93 1HB ALA 93 2.768 8.872 -0.586 589 HB2 ALA 93 2HB ALA 93 2.289 9.145 1.097 590 HB3 ALA 93 3HB ALA 93 3.391 10.263 0.270 591 H LYS 94 H LYS 94 5.961 10.340 0.355 592 HA LYS 94 HA LYS 94 6.887 9.759 -2.152 593 HB3 LYS 94 2HB LYS 94 8.565 10.964 0.076 594 HG3 LYS 94 2HG LYS 94 8.609 11.128 -2.904 595 HD3 LYS 94 2HD LYS 94 8.002 13.422 -2.256 596 HE3 LYS 94 2HE LYS 94 9.502 13.116 0.016 597 HZ1 LYS 94 3HZ LYS 94 11.316 14.703 -0.260 598 HZ2 LYS 94 1HZ LYS 94 10.932 14.892 -1.865 599 HZ3 LYS 94 2HZ LYS 94 11.517 13.467 -1.297 600 H TYR 95 H TYR 95 8.454 8.547 0.849 601 HA TYR 95 HA TYR 95 10.357 6.943 -0.680 602 HB3 TYR 95 2HB TYR 95 10.733 5.829 1.563 603 HD1 TYR 95 2HD TYR 95 12.698 7.050 0.266 604 HD2 TYR 95 1HD TYR 95 10.272 8.813 3.353 605 HE1 TYR 95 2HE TYR 95 14.418 8.816 0.600 606 HE2 TYR 95 1HE TYR 95 11.979 10.535 3.728 607 HH TYR 95 HH TYR 95 13.769 11.650 2.443 608 H ARG 96 H ARG 96 7.078 6.168 0.789 609 HA ARG 96 HA ARG 96 7.256 3.393 0.200 610 HB3 ARG 96 2HB ARG 96 4.771 3.443 0.132 611 HG3 ARG 96 2HG ARG 96 5.896 5.081 2.363 612 HD3 ARG 96 2HD ARG 96 3.470 3.298 2.362 613 HE ARG 96 HE ARG 96 5.064 4.362 4.470 614 HH11 ARG 96 1HH1 ARG 96 1.613 4.277 3.573 615 HH12 ARG 96 2HH1 ARG 96 1.075 4.681 5.162 616 HH21 ARG 96 1HH2 ARG 96 4.296 4.301 6.609 617 HH22 ARG 96 2HH2 ARG 96 2.683 4.914 6.924 618 H ALA 97 H ALA 97 6.066 6.104 -1.933 619 HA ALA 97 HA ALA 97 4.995 4.582 -4.020 620 HB1 ALA 97 1HB ALA 97 5.745 6.627 -5.382 621 HB2 ALA 97 2HB ALA 97 4.682 6.964 -3.998 622 HB3 ALA 97 3HB ALA 97 6.429 7.283 -3.897 623 H ARG 98 H ARG 98 8.205 5.993 -3.716 624 HA ARG 98 HA ARG 98 9.478 4.692 -5.796 625 HB3 ARG 98 2HB ARG 98 11.538 5.222 -4.045 626 HG3 ARG 98 2HG ARG 98 9.744 7.041 -5.680 627 HD3 ARG 98 2HD ARG 98 12.314 7.771 -4.274 628 HE ARG 98 HE ARG 98 11.254 8.679 -6.794 629 HH11 ARG 98 1HH1 ARG 98 12.669 9.969 -3.839 630 HH12 ARG 98 2HH1 ARG 98 13.542 11.273 -4.602 631 HH21 ARG 98 1HH2 ARG 98 12.520 10.289 -7.881 632 HH22 ARG 98 2HH2 ARG 98 13.241 11.574 -6.968 633 H LEU 99 H LEU 99 9.266 3.564 -2.400 634 HA LEU 99 HA LEU 99 10.875 1.255 -2.704 635 HB3 LEU 99 2HB LEU 99 8.513 1.833 -0.864 636 HG LEU 99 HG LEU 99 8.781 -0.521 -0.691 637 HD11 LEU 99 1HD1 LEU 99 10.971 -1.588 -0.174 638 HD12 LEU 99 2HD1 LEU 99 11.779 -0.027 -0.468 639 HD13 LEU 99 3HD1 LEU 99 10.922 -0.867 -1.784 640 HD21 LEU 99 3HD2 LEU 99 9.622 -0.701 1.632 641 HD22 LEU 99 1HD2 LEU 99 8.602 0.731 1.407 642 HD23 LEU 99 2HD2 LEU 99 10.369 0.898 1.489 643 H MET 100 H MET 100 7.338 1.557 -2.893 644 HA MET 100 HA MET 100 6.705 -1.063 -3.699 645 HB3 MET 100 2HB MET 100 4.605 -0.165 -4.498 646 HG3 MET 100 2HG MET 100 3.648 0.689 -2.622 647 HE1 MET 100 3HE MET 100 4.032 -2.042 -2.146 648 HE2 MET 100 1HE MET 100 4.254 -2.177 -0.386 649 HE3 MET 100 2HE MET 100 3.088 -1.015 -1.039 650 H LYS 101 H LYS 101 7.578 1.794 -5.756 651 HA LYS 101 HA LYS 101 7.268 0.461 -8.248 652 HB3 LYS 101 2HB LYS 101 9.369 2.577 -7.548 653 HG3 LYS 101 2HG LYS 101 9.446 1.416 -9.836 654 HD3 LYS 101 2HD LYS 101 7.221 3.294 -10.597 655 HE3 LYS 101 2HE LYS 101 8.153 0.601 -11.684 656 HZ1 LYS 101 3HZ LYS 101 5.846 1.105 -12.239 657 HZ2 LYS 101 1HZ LYS 101 6.776 1.242 -13.591 658 HZ3 LYS 101 2HZ LYS 101 6.240 2.577 -12.775 659 H LYS 102 H LYS 102 10.180 0.738 -6.157 660 HA LYS 102 HA LYS 102 11.861 -0.896 -7.800 661 HB3 LYS 102 2HB LYS 102 12.380 -1.130 -4.904 662 HG3 LYS 102 2HG LYS 102 13.780 0.237 -7.259 663 HD3 LYS 102 2HD LYS 102 14.639 -0.204 -4.374 664 HE3 LYS 102 2HE LYS 102 16.373 -0.883 -6.118 665 HZ1 LYS 102 3HZ LYS 102 16.280 2.025 -6.664 666 HZ2 LYS 102 1HZ LYS 102 16.174 0.814 -7.764 667 HZ3 LYS 102 2HZ LYS 102 17.591 1.096 -6.969 668 H ILE 103 H ILE 103 9.443 -1.758 -5.366 669 HA ILE 103 HA ILE 103 10.087 -4.536 -5.214 670 HB ILE 103 HB ILE 103 7.675 -2.868 -4.518 671 HG13 ILE 103 2HG1 ILE 103 9.854 -2.887 -3.170 672 HG21 ILE 103 1HG2 ILE 103 7.856 -5.844 -4.082 673 HG22 ILE 103 2HG2 ILE 103 6.549 -4.768 -3.531 674 HG23 ILE 103 3HG2 ILE 103 6.774 -5.073 -5.250 675 HD11 ILE 103 3HD1 ILE 103 7.701 -2.240 -2.092 676 HD12 ILE 103 1HD1 ILE 103 7.477 -3.940 -1.620 677 HD13 ILE 103 2HD1 ILE 103 8.866 -3.027 -1.009 678 H ALA 104 H ALA 104 7.724 -2.763 -7.287 679 HA ALA 104 HA ALA 104 6.884 -5.048 -8.769 680 HB1 ALA 104 1HB ALA 104 5.690 -2.902 -8.753 681 HB2 ALA 104 2HB ALA 104 7.083 -2.102 -9.518 682 HB3 ALA 104 3HB ALA 104 6.164 -3.298 -10.417 683 H ASP 105 H ASP 105 9.850 -3.216 -8.923 684 HA ASP 105 HA ASP 105 10.459 -3.754 -11.705 685 HB3 ASP 105 2HB ASP 105 12.359 -2.984 -9.458 686 H LEU 106 H LEU 106 11.275 -5.249 -8.615 687 HA LEU 106 HA LEU 106 12.845 -7.434 -9.876 688 HB3 LEU 106 2HB LEU 106 13.487 -7.964 -7.553 689 HG LEU 106 HG LEU 106 13.761 -5.015 -8.296 690 HD11 LEU 106 1HD1 LEU 106 13.508 -5.085 -5.859 691 HD12 LEU 106 2HD1 LEU 106 15.155 -4.671 -6.340 692 HD13 LEU 106 3HD1 LEU 106 14.798 -6.307 -5.745 693 HD21 LEU 106 3HD2 LEU 106 16.105 -5.568 -8.503 694 HD22 LEU 106 1HD2 LEU 106 15.162 -6.722 -9.448 695 HD23 LEU 106 2HD2 LEU 106 15.837 -7.209 -7.863 696 H TRP 107 H TRP 107 9.752 -7.104 -9.993 697 HA TRP 107 HA TRP 107 8.774 -9.249 -8.406 698 HB3 TRP 107 2HB TRP 107 7.451 -8.361 -10.983 699 HD1 TRP 107 HD TRP 107 5.638 -10.287 -10.912 700 HE1 TRP 107 1HE TRP 107 3.846 -11.057 -9.243 701 HE3 TRP 107 3HE TRP 107 6.955 -7.339 -6.950 702 HZ2 TRP 107 2HZ TRP 107 3.097 -10.475 -6.544 703 HZ3 TRP 107 3HZ TRP 107 5.658 -7.464 -4.823 704 HH2 TRP 107 HH TRP 107 3.682 -8.991 -4.638 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -21.827 2.101 11.857 2 HA2 GLY 1 1HA GLY 1 -21.687 0.203 10.344 3 HA3 GLY 1 2HA GLY 1 -20.111 0.980 10.498 4 H THR 2 H THR 2 -21.940 -1.387 12.607 5 HA THR 2 HA THR 2 -19.555 -2.938 13.147 6 HB THR 2 HB THR 2 -21.607 -4.395 14.130 7 HG1 THR 2 1HG THR 2 -23.274 -3.329 13.389 8 HG21 THR 2 3HG2 THR 2 -21.580 -3.007 16.185 9 HG22 THR 2 1HG2 THR 2 -20.646 -1.762 15.317 10 HG23 THR 2 2HG2 THR 2 -19.956 -3.381 15.576 11 H ASP 3 H ASP 3 -19.888 -5.389 12.877 12 HA ASP 3 HA ASP 3 -21.160 -6.131 10.302 13 HB3 ASP 3 2HB ASP 3 -18.994 -7.871 10.642 14 H PHE 4 H PHE 4 -22.819 -7.344 10.927 15 HA PHE 4 HA PHE 4 -22.477 -9.515 12.843 16 HB3 PHE 4 2HB PHE 4 -24.925 -7.828 13.282 17 HD1 PHE 4 2HD PHE 4 -22.134 -8.404 15.647 18 HD2 PHE 4 1HD PHE 4 -25.979 -9.852 14.309 19 HE1 PHE 4 2HE PHE 4 -22.337 -9.804 17.698 20 HE2 PHE 4 1HE PHE 4 -26.150 -11.265 16.333 21 HZ PHE 4 HZ PHE 4 -24.353 -11.202 18.057 22 H GLY 5 H GLY 5 -22.953 -9.070 9.882 23 HA2 GLY 5 1HA GLY 5 -24.152 -10.353 8.330 24 HA3 GLY 5 2HA GLY 5 -25.493 -10.572 9.477 25 H THR 6 H THR 6 -23.774 -8.180 7.462 26 HA THR 6 HA THR 6 -26.191 -6.830 6.737 27 HB THR 6 HB THR 6 -25.983 -5.788 8.918 28 HG1 THR 6 1HG THR 6 -25.368 -3.544 8.137 29 HG21 THR 6 3HG2 THR 6 -24.066 -4.467 9.663 30 HG22 THR 6 1HG2 THR 6 -23.168 -4.941 8.215 31 HG23 THR 6 2HG2 THR 6 -23.606 -6.154 9.425 32 H THR 7 H THR 7 -24.969 -8.157 5.132 33 HA THR 7 HA THR 7 -22.466 -6.881 4.129 34 HB THR 7 HB THR 7 -23.046 -9.825 4.483 35 HG1 THR 7 1HG THR 7 -21.596 -8.161 6.248 36 HG21 THR 7 3HG2 THR 7 -21.139 -9.431 3.036 37 HG22 THR 7 1HG2 THR 7 -20.550 -9.996 4.605 38 HG23 THR 7 2HG2 THR 7 -20.440 -8.273 4.188 39 H ASN 8 H ASN 8 -25.544 -8.227 3.269 40 HA ASN 8 HA ASN 8 -24.649 -9.202 0.629 41 HB3 ASN 8 2HB ASN 8 -27.403 -9.277 1.925 42 HD21 ASN 8 1HD2 ASN 8 -28.903 -10.006 0.377 43 HD22 ASN 8 2HD2 ASN 8 -28.475 -11.145 -0.883 44 H ASN 9 H ASN 9 -25.124 -6.171 1.451 45 HA ASN 9 HA ASN 9 -27.372 -5.522 -0.365 46 HB3 ASN 9 2HB ASN 9 -27.984 -5.603 1.972 47 HD21 ASN 9 1HD2 ASN 9 -27.169 -2.273 2.328 48 HD22 ASN 9 2HD2 ASN 9 -25.988 -2.488 3.617 49 H PHE 10 H PHE 10 -26.435 -4.671 -2.088 50 HA PHE 10 HA PHE 10 -25.064 -2.041 -1.782 51 HB3 PHE 10 2HB PHE 10 -23.437 -2.767 -3.556 52 HD1 PHE 10 2HD PHE 10 -23.582 -5.606 -1.153 53 HD2 PHE 10 1HD PHE 10 -21.772 -1.817 -2.140 54 HE1 PHE 10 2HE PHE 10 -21.798 -6.030 0.494 55 HE2 PHE 10 1HE PHE 10 -19.982 -2.247 -0.470 56 HZ PHE 10 HZ PHE 10 -19.972 -4.360 0.813 57 H VAL 11 H VAL 11 -27.159 -1.182 -2.547 58 HA VAL 11 HA VAL 11 -27.531 -1.494 -5.476 59 HB VAL 11 HB VAL 11 -30.035 -1.521 -5.065 60 HG11 VAL 11 1HG1 VAL 11 -28.819 -3.516 -5.777 61 HG12 VAL 11 2HG1 VAL 11 -28.483 -3.927 -4.084 62 HG13 VAL 11 3HG1 VAL 11 -30.161 -3.920 -4.686 63 HG21 VAL 11 3HG2 VAL 11 -29.274 -2.371 -2.227 64 HG22 VAL 11 1HG2 VAL 11 -29.969 -0.785 -2.665 65 HG23 VAL 11 2HG2 VAL 11 -30.898 -2.267 -2.935 66 H SER 12 H SER 12 -26.489 0.642 -3.576 67 HA SER 12 HA SER 12 -28.502 2.659 -3.414 68 HB3 SER 12 2HB SER 12 -26.615 2.369 -1.862 69 HG SER 12 HG SER 12 -25.008 1.942 -3.469 70 HA PRO 13 HA PRO 13 -28.256 4.841 -7.271 71 HB3 PRO 13 2HB PRO 13 -29.913 6.223 -6.503 72 HG3 PRO 13 2HG PRO 13 -29.886 7.071 -4.262 73 HD3 PRO 13 2HD PRO 13 -29.744 4.700 -4.163 74 H ASN 14 H ASN 14 -27.229 7.151 -8.228 75 HA ASN 14 HA ASN 14 -24.472 6.297 -8.396 76 HB3 ASN 14 2HB ASN 14 -25.428 8.626 -9.997 77 HD21 ASN 14 1HD2 ASN 14 -25.601 6.370 -12.142 78 HD22 ASN 14 2HD2 ASN 14 -23.933 6.025 -12.527 79 H LEU 15 H LEU 15 -23.529 6.960 -6.412 80 HA LEU 15 HA LEU 15 -23.394 9.885 -5.878 81 HB3 LEU 15 2HB LEU 15 -23.597 7.613 -3.881 82 HG LEU 15 HG LEU 15 -23.573 10.634 -3.566 83 HD11 LEU 15 1HD1 LEU 15 -25.746 9.865 -2.646 84 HD12 LEU 15 2HD1 LEU 15 -24.651 10.337 -1.339 85 HD13 LEU 15 3HD1 LEU 15 -24.907 8.626 -1.693 86 HD21 LEU 15 3HD2 LEU 15 -21.505 9.405 -2.924 87 HD22 LEU 15 1HD2 LEU 15 -22.447 8.360 -1.866 88 HD23 LEU 15 2HD2 LEU 15 -22.305 10.080 -1.512 89 H GLN 16 H GLN 16 -21.406 10.257 -6.751 90 HA GLN 16 HA GLN 16 -19.058 8.637 -6.095 91 HB3 GLN 16 2HB GLN 16 -17.897 10.296 -7.562 92 HG3 GLN 16 2HG GLN 16 -20.527 9.389 -8.811 93 HE21 GLN 16 1HE2 GLN 16 -19.204 8.410 -11.107 94 HE22 GLN 16 2HE2 GLN 16 -18.619 9.772 -12.066 95 H LEU 17 H LEU 17 -20.654 10.493 -4.228 96 HA LEU 17 HA LEU 17 -18.546 12.503 -3.516 97 HB3 LEU 17 2HB LEU 17 -20.227 13.890 -2.719 98 HG LEU 17 HG LEU 17 -20.135 13.424 -5.384 99 HD11 LEU 17 1HD1 LEU 17 -22.356 13.049 -6.343 100 HD12 LEU 17 2HD1 LEU 17 -23.090 12.986 -4.734 101 HD13 LEU 17 3HD1 LEU 17 -22.022 11.703 -5.270 102 HD21 LEU 17 3HD2 LEU 17 -20.517 15.605 -4.375 103 HD22 LEU 17 1HD2 LEU 17 -22.191 15.179 -3.992 104 HD23 LEU 17 2HD2 LEU 17 -21.678 15.344 -5.678 105 H LYS 18 H LYS 18 -17.407 10.996 -2.206 106 HA LYS 18 HA LYS 18 -18.685 10.365 0.423 107 HB3 LYS 18 2HB LYS 18 -18.055 8.113 0.405 108 HG3 LYS 18 2HG LYS 18 -19.169 8.372 -2.392 109 HD3 LYS 18 2HD LYS 18 -18.381 6.106 -1.388 110 HE3 LYS 18 2HE LYS 18 -20.990 6.451 0.143 111 HZ1 LYS 18 3HZ LYS 18 -20.255 4.112 -0.294 112 HZ2 LYS 18 1HZ LYS 18 -20.331 4.511 1.295 113 HZ3 LYS 18 2HZ LYS 18 -18.884 4.451 0.567 114 H GLN 19 H GLN 19 -17.000 9.246 1.960 115 HA GLN 19 HA GLN 19 -14.874 11.083 2.320 116 HB3 GLN 19 2HB GLN 19 -16.182 10.040 4.149 117 HG3 GLN 19 2HG GLN 19 -14.638 7.474 3.532 118 HE21 GLN 19 1HE2 GLN 19 -15.124 9.094 6.162 119 HE22 GLN 19 2HE2 GLN 19 -16.003 7.990 7.174 120 H ASN 20 H ASN 20 -12.770 10.449 2.714 121 HA ASN 20 HA ASN 20 -11.320 9.178 0.584 122 HB3 ASN 20 2HB ASN 20 -10.336 10.064 3.325 123 HD21 ASN 20 1HD2 ASN 20 -8.970 7.855 1.737 124 HD22 ASN 20 2HD2 ASN 20 -7.674 8.630 0.930 125 H VAL 21 H VAL 21 -12.096 7.093 0.560 126 HA VAL 21 HA VAL 21 -11.705 5.181 2.708 127 HB VAL 21 HB VAL 21 -11.840 4.395 -0.230 128 HG11 VAL 21 1HG1 VAL 21 -12.965 3.145 2.313 129 HG12 VAL 21 2HG1 VAL 21 -13.156 2.498 0.668 130 HG13 VAL 21 3HG1 VAL 21 -11.573 2.526 1.408 131 HG21 VAL 21 3HG2 VAL 21 -14.353 4.370 0.075 132 HG22 VAL 21 1HG2 VAL 21 -14.099 5.327 1.564 133 HG23 VAL 21 2HG2 VAL 21 -13.637 5.971 -0.035 134 H LEU 22 H LEU 22 -10.144 3.256 2.384 135 HA LEU 22 HA LEU 22 -7.499 4.143 1.335 136 HB3 LEU 22 2HB LEU 22 -6.703 2.113 2.663 137 HG LEU 22 HG LEU 22 -8.049 4.313 4.300 138 HD11 LEU 22 1HD1 LEU 22 -7.670 2.309 5.648 139 HD12 LEU 22 2HD1 LEU 22 -6.538 3.589 6.114 140 HD13 LEU 22 3HD1 LEU 22 -5.979 2.238 5.109 141 HD21 LEU 22 3HD2 LEU 22 -5.681 5.182 4.476 142 HD22 LEU 22 1HD2 LEU 22 -6.359 5.265 2.848 143 HD23 LEU 22 2HD2 LEU 22 -5.205 3.978 3.257 144 HA PRO 23 HA PRO 23 -8.021 0.908 -1.798 145 HB3 PRO 23 2HB PRO 23 -6.056 1.395 -2.815 146 HG3 PRO 23 2HG PRO 23 -4.313 2.438 -1.613 147 HD3 PRO 23 2HD PRO 23 -6.215 3.654 -0.899 148 HA PRO 24 HA PRO 24 -8.486 -2.812 0.496 149 HB3 PRO 24 2HB PRO 24 -9.571 -3.645 -1.356 150 HG3 PRO 24 2HG PRO 24 -8.731 -3.350 -3.554 151 HD3 PRO 24 2HD PRO 24 -8.781 -1.174 -2.679 152 H THR 25 H THR 25 -7.501 -4.981 1.129 153 HA THR 25 HA THR 25 -4.567 -5.103 0.897 154 HB THR 25 HB THR 25 -5.104 -5.811 3.569 155 HG1 THR 25 1HG THR 25 -7.086 -4.684 3.626 156 HG21 THR 25 3HG2 THR 25 -3.122 -4.614 2.756 157 HG22 THR 25 1HG2 THR 25 -3.861 -3.758 4.112 158 HG23 THR 25 2HG2 THR 25 -4.097 -3.160 2.458 159 HA PRO 26 HA PRO 26 -5.440 -9.338 0.269 160 HB3 PRO 26 2HB PRO 26 -3.223 -9.837 -0.124 161 HG3 PRO 26 2HG PRO 26 -1.549 -8.633 0.984 162 HD3 PRO 26 2HD PRO 26 -2.900 -6.791 0.551 163 H LYS 27 H LYS 27 -6.320 -11.173 1.316 164 HA LYS 27 HA LYS 27 -7.502 -10.466 3.859 165 HB3 LYS 27 2HB LYS 27 -8.937 -11.324 2.126 166 HG3 LYS 27 2HG LYS 27 -7.193 -13.798 2.260 167 HD3 LYS 27 2HD LYS 27 -9.930 -13.672 0.916 168 HE3 LYS 27 2HE LYS 27 -7.806 -15.769 1.513 169 HZ1 LYS 27 3HZ LYS 27 -9.180 -17.439 0.817 170 HZ2 LYS 27 1HZ LYS 27 -10.412 -16.436 0.320 171 HZ3 LYS 27 2HZ LYS 27 -10.068 -16.640 1.919 172 H ASN 28 H ASN 28 -4.814 -10.749 4.419 173 HA ASN 28 HA ASN 28 -4.613 -13.271 5.901 174 HB3 ASN 28 2HB ASN 28 -2.069 -12.843 5.492 175 HD21 ASN 28 1HD2 ASN 28 -4.276 -13.087 2.590 176 HD22 ASN 28 2HD2 ASN 28 -4.242 -14.824 2.641 177 H ILE 29 H ILE 29 -3.575 -9.788 5.553 178 HA ILE 29 HA ILE 29 -3.573 -9.562 8.452 179 HB ILE 29 HB ILE 29 -1.352 -8.810 8.626 180 HG13 ILE 29 2HG1 ILE 29 0.288 -8.541 6.934 181 HG21 ILE 29 1HG2 ILE 29 -1.208 -11.298 6.959 182 HG22 ILE 29 2HG2 ILE 29 0.084 -10.650 7.995 183 HG23 ILE 29 3HG2 ILE 29 -1.466 -11.177 8.723 184 HD11 ILE 29 3HD1 ILE 29 -1.747 -9.181 4.772 185 HD12 ILE 29 1HD1 ILE 29 -0.050 -8.711 4.608 186 HD13 ILE 29 2HD1 ILE 29 -0.421 -10.279 5.252 187 HA PRO 30 HA PRO 30 -5.150 -5.664 7.175 188 HB3 PRO 30 2HB PRO 30 -5.788 -5.513 9.430 189 HG3 PRO 30 2HG PRO 30 -4.183 -5.951 11.210 190 HD3 PRO 30 2HD PRO 30 -4.348 -7.927 9.879 191 H LEU 31 H LEU 31 -4.587 -3.289 6.804 192 HA LEU 31 HA LEU 31 -2.341 -2.733 5.381 193 HB3 LEU 31 2HB LEU 31 -3.923 -0.841 7.145 194 HG LEU 31 HG LEU 31 -3.368 0.819 5.319 195 HD11 LEU 31 1HD1 LEU 31 -2.608 1.173 7.640 196 HD12 LEU 31 2HD1 LEU 31 -1.457 1.813 6.451 197 HD13 LEU 31 3HD1 LEU 31 -1.098 0.319 7.279 198 HD21 LEU 31 3HD2 LEU 31 -2.013 -0.864 3.897 199 HD22 LEU 31 1HD2 LEU 31 -0.684 -0.514 5.036 200 HD23 LEU 31 2HD2 LEU 31 -1.379 0.769 4.080 201 HA PRO 32 HA PRO 32 0.334 -1.094 8.971 202 HB3 PRO 32 2HB PRO 32 -0.846 -0.339 10.788 203 HG3 PRO 32 2HG PRO 32 -2.872 -1.464 11.470 204 HD3 PRO 32 2HD PRO 32 -2.988 -0.761 9.171 205 H ALA 33 H ALA 33 -0.758 -4.348 8.510 206 HA ALA 33 HA ALA 33 1.776 -5.449 9.635 207 HB1 ALA 33 1HB ALA 33 -0.228 -6.513 10.529 208 HB2 ALA 33 2HB ALA 33 -0.839 -6.739 8.879 209 HB3 ALA 33 3HB ALA 33 0.613 -7.622 9.419 210 H PHE 34 H PHE 34 -0.360 -5.183 6.804 211 HA PHE 34 HA PHE 34 1.115 -6.702 5.035 212 HB3 PHE 34 2HB PHE 34 -0.761 -4.379 4.507 213 HD1 PHE 34 1HD PHE 34 0.565 -7.642 3.054 214 HD2 PHE 34 2HD PHE 34 -1.013 -3.668 2.263 215 HE1 PHE 34 1HE PHE 34 1.136 -7.866 0.687 216 HE2 PHE 34 2HE PHE 34 -0.485 -3.955 -0.126 217 HZ PHE 34 HZ PHE 34 0.656 -6.012 -0.917 218 H GLY 35 H GLY 35 2.485 -4.144 6.426 219 HA2 GLY 35 1HA GLY 35 4.395 -3.835 4.214 220 HA3 GLY 35 2HA GLY 35 3.750 -2.375 4.940 221 H GLN 36 H GLN 36 3.730 -2.623 7.537 222 HA GLN 36 HA GLN 36 6.372 -2.462 8.294 223 HB3 GLN 36 2HB GLN 36 5.701 -2.406 10.603 224 HG3 GLN 36 2HG GLN 36 3.432 -1.315 8.905 225 HE21 GLN 36 1HE2 GLN 36 2.438 0.640 9.938 226 HE22 GLN 36 2HE2 GLN 36 1.909 0.487 11.590 227 H ARG 37 H ARG 37 4.407 -5.400 8.343 228 HA ARG 37 HA ARG 37 6.751 -6.914 9.316 229 HB3 ARG 37 2HB ARG 37 5.585 -7.561 10.973 230 HG3 ARG 37 2HG ARG 37 2.913 -7.192 9.703 231 HD3 ARG 37 2HD ARG 37 4.030 -7.530 12.488 232 HE ARG 37 HE ARG 37 1.912 -5.841 12.173 233 HH11 ARG 37 1HH1 ARG 37 2.845 -8.787 13.875 234 HH12 ARG 37 2HH1 ARG 37 1.702 -8.607 15.171 235 HH21 ARG 37 1HH2 ARG 37 0.191 -5.660 13.824 236 HH22 ARG 37 2HH2 ARG 37 0.459 -6.592 15.252 237 H ILE 38 H ILE 38 5.688 -6.211 6.485 238 HA ILE 38 HA ILE 38 5.938 -8.992 5.389 239 HB ILE 38 HB ILE 38 3.807 -6.905 4.876 240 HG13 ILE 38 2HG1 ILE 38 2.227 -8.506 5.567 241 HG21 ILE 38 1HG2 ILE 38 4.442 -9.329 3.161 242 HG22 ILE 38 2HG2 ILE 38 2.891 -8.451 3.120 243 HG23 ILE 38 3HG2 ILE 38 4.382 -7.619 2.679 244 HD11 ILE 38 3HD1 ILE 38 4.374 -10.625 5.645 245 HD12 ILE 38 1HD1 ILE 38 2.750 -10.779 6.346 246 HD13 ILE 38 2HD1 ILE 38 2.921 -10.549 4.601 247 H ILE 39 H ILE 39 5.900 -5.476 4.550 248 HA ILE 39 HA ILE 39 7.697 -5.968 2.267 249 HB ILE 39 HB ILE 39 6.322 -3.476 3.333 250 HG13 ILE 39 2HG1 ILE 39 4.615 -3.674 1.719 251 HG21 ILE 39 1HG2 ILE 39 6.628 -2.630 0.997 252 HG22 ILE 39 2HG2 ILE 39 8.060 -2.639 2.015 253 HG23 ILE 39 3HG2 ILE 39 7.854 -3.902 0.782 254 HD11 ILE 39 3HD1 ILE 39 5.691 -4.563 -0.285 255 HD12 ILE 39 1HD1 ILE 39 5.967 -6.119 0.531 256 HD13 ILE 39 2HD1 ILE 39 4.314 -5.571 0.179 257 H GLY 40 H GLY 40 8.125 -5.612 5.594 258 HA2 GLY 40 1HA GLY 40 10.042 -5.310 6.805 259 HA3 GLY 40 2HA GLY 40 10.911 -5.188 5.282 260 H TRP 41 H TRP 41 8.703 -2.753 5.054 261 HA TRP 41 HA TRP 41 10.755 -0.848 5.093 262 HB3 TRP 41 2HB TRP 41 8.898 -0.943 3.533 263 HD1 TRP 41 HD TRP 41 7.240 -0.898 6.832 264 HE1 TRP 41 1HE TRP 41 4.745 -0.580 6.631 265 HE3 TRP 41 3HE TRP 41 6.979 0.662 1.919 266 HZ2 TRP 41 2HZ TRP 41 2.829 -0.057 4.548 267 HZ3 TRP 41 3HZ TRP 41 4.764 0.941 0.849 268 HH2 TRP 41 HH TRP 41 2.667 0.560 2.171 269 H GLY 42 H GLY 42 10.015 -1.842 7.896 270 HA2 GLY 42 1HA GLY 42 9.804 -1.040 10.047 271 HA3 GLY 42 2HA GLY 42 10.355 0.548 9.450 272 H THR 43 H THR 43 8.871 2.151 9.378 273 HA THR 43 HA THR 43 6.274 1.660 8.345 274 HB THR 43 HB THR 43 5.907 0.822 10.723 275 HG1 THR 43 1HG THR 43 4.438 3.120 10.016 276 HG21 THR 43 3HG2 THR 43 5.621 2.417 12.511 277 HG22 THR 43 1HG2 THR 43 6.319 3.723 11.503 278 HG23 THR 43 2HG2 THR 43 7.301 2.312 11.973 279 H GLY 44 H GLY 44 8.575 3.512 8.078 280 HA2 GLY 44 1HA GLY 44 7.227 6.137 8.327 281 HA3 GLY 44 2HA GLY 44 8.616 5.890 9.410 282 H ALA 45 H ALA 45 8.899 7.836 7.874 283 HA ALA 45 HA ALA 45 9.661 7.576 5.150 284 HB1 ALA 45 1HB ALA 45 9.413 9.791 6.266 285 HB2 ALA 45 2HB ALA 45 10.910 9.498 7.159 286 HB3 ALA 45 3HB ALA 45 10.946 9.669 5.402 287 H GLU 46 H GLU 46 11.821 7.467 8.041 288 HA GLU 46 HA GLU 46 14.117 6.834 6.576 289 HB3 GLU 46 2HB GLU 46 13.860 6.051 9.475 290 HG3 GLU 46 2HG GLU 46 15.589 8.210 9.092 291 H GLY 47 H GLY 47 11.724 4.815 8.194 292 HA2 GLY 47 1HA GLY 47 12.842 2.210 8.103 293 HA3 GLY 47 2HA GLY 47 11.145 2.627 7.935 294 H ALA 48 H ALA 48 10.756 3.904 5.756 295 HA ALA 48 HA ALA 48 11.007 1.910 3.729 296 HB1 ALA 48 1HB ALA 48 9.749 3.563 2.363 297 HB2 ALA 48 2HB ALA 48 9.023 3.333 3.974 298 HB3 ALA 48 3HB ALA 48 10.002 4.790 3.651 299 H ARG 49 H ARG 49 12.819 4.980 4.320 300 HA ARG 49 HA ARG 49 14.105 5.216 1.824 301 HB3 ARG 49 2HB ARG 49 15.211 5.693 4.635 302 HG3 ARG 49 2HG ARG 49 16.117 7.045 2.065 303 HD3 ARG 49 2HD ARG 49 17.227 7.040 4.916 304 HE ARG 49 HE ARG 49 18.254 8.289 2.402 305 HH11 ARG 49 1HH1 ARG 49 18.805 8.121 5.988 306 HH12 ARG 49 2HH1 ARG 49 20.498 8.313 5.771 307 HH21 ARG 49 1HH2 ARG 49 20.582 8.414 2.298 308 HH22 ARG 49 2HH2 ARG 49 21.448 8.702 3.766 309 H GLN 50 H GLN 50 15.054 3.289 4.698 310 HA GLN 50 HA GLN 50 17.445 2.450 3.339 311 HB3 GLN 50 2HB GLN 50 17.673 1.008 5.492 312 HG3 GLN 50 2HG GLN 50 18.087 2.832 6.988 313 HE21 GLN 50 1HE2 GLN 50 18.333 5.391 5.022 314 HE22 GLN 50 2HE2 GLN 50 19.739 4.991 4.041 315 H ARG 51 H ARG 51 14.267 1.201 3.272 316 HA ARG 51 HA ARG 51 15.293 -1.438 2.382 317 HB3 ARG 51 2HB ARG 51 12.928 -2.243 2.875 318 HG3 ARG 51 2HG ARG 51 13.091 -1.989 5.383 319 HD3 ARG 51 2HD ARG 51 15.601 -2.971 3.967 320 HE ARG 51 HE ARG 51 14.947 -2.877 6.729 321 HH11 ARG 51 1HH1 ARG 51 15.837 -5.490 4.479 322 HH12 ARG 51 2HH1 ARG 51 16.892 -6.259 5.584 323 HH21 ARG 51 1HH2 ARG 51 16.504 -3.819 8.144 324 HH22 ARG 51 2HH2 ARG 51 17.287 -5.298 7.707 325 H LEU 52 H LEU 52 15.072 1.118 0.805 326 HA LEU 52 HA LEU 52 13.196 0.209 -1.346 327 HB3 LEU 52 2HB LEU 52 13.894 2.845 -0.101 328 HG LEU 52 HG LEU 52 14.028 3.788 -2.150 329 HD11 LEU 52 1HD1 LEU 52 12.332 1.598 -3.249 330 HD12 LEU 52 2HD1 LEU 52 13.737 2.398 -3.927 331 HD13 LEU 52 3HD1 LEU 52 12.165 3.196 -3.996 332 HD21 LEU 52 3HD2 LEU 52 12.248 4.628 -0.645 333 HD22 LEU 52 1HD2 LEU 52 11.067 3.764 -1.617 334 HD23 LEU 52 2HD2 LEU 52 12.017 5.074 -2.351 335 H GLU 53 H GLU 53 15.999 2.460 -1.023 336 HA GLU 53 HA GLU 53 16.480 2.200 -3.821 337 HB3 GLU 53 2HB GLU 53 18.281 3.671 -3.561 338 HG3 GLU 53 2HG GLU 53 16.698 4.493 -1.109 339 H ASN 54 H ASN 54 17.160 -0.072 -1.460 340 HA ASN 54 HA ASN 54 19.235 -1.394 -3.075 341 HB3 ASN 54 2HB ASN 54 20.388 -0.296 -1.197 342 HD21 ASN 54 1HD2 ASN 54 18.904 0.932 0.206 343 HD22 ASN 54 2HD2 ASN 54 18.062 0.149 1.564 344 H ILE 55 H ILE 55 16.203 -1.731 -2.739 345 HA ILE 55 HA ILE 55 15.561 -4.041 -1.300 346 HB ILE 55 HB ILE 55 14.064 -2.444 -2.604 347 HG13 ILE 55 2HG1 ILE 55 13.611 -5.455 -2.719 348 HG21 ILE 55 1HG2 ILE 55 14.701 -4.298 -4.930 349 HG22 ILE 55 2HG2 ILE 55 13.517 -2.994 -4.896 350 HG23 ILE 55 3HG2 ILE 55 15.254 -2.615 -4.783 351 HD11 ILE 55 3HD1 ILE 55 12.344 -3.204 -1.092 352 HD12 ILE 55 1HD1 ILE 55 11.951 -4.924 -0.975 353 HD13 ILE 55 2HD1 ILE 55 13.539 -4.349 -0.454 354 H GLN 56 H GLN 56 15.473 -6.282 -1.895 355 HA GLN 56 HA GLN 56 17.502 -7.099 -3.917 356 HB3 GLN 56 2HB GLN 56 17.715 -9.194 -2.708 357 HG3 GLN 56 2HG GLN 56 18.216 -8.631 -0.407 358 HE21 GLN 56 1HE2 GLN 56 19.018 -5.490 -0.568 359 HE22 GLN 56 2HE2 GLN 56 20.591 -5.691 -1.307 360 HA PRO 57 HA PRO 57 14.124 -8.881 -6.294 361 HB3 PRO 57 2HB PRO 57 15.718 -9.398 -7.852 362 HG3 PRO 57 2HG PRO 57 17.869 -10.208 -7.278 363 HD3 PRO 57 2HD PRO 57 17.633 -8.220 -5.925 364 H ALA 58 H ALA 58 15.662 -10.662 -3.689 365 HA ALA 58 HA ALA 58 13.690 -12.807 -3.615 366 HB1 ALA 58 1HB ALA 58 16.008 -12.942 -2.735 367 HB2 ALA 58 2HB ALA 58 15.606 -11.757 -1.469 368 HB3 ALA 58 3HB ALA 58 14.786 -13.354 -1.512 369 H ASP 59 H ASP 59 13.993 -9.520 -2.266 370 HA ASP 59 HA ASP 59 12.259 -9.922 -0.034 371 HB3 ASP 59 2HB ASP 59 12.229 -7.230 -0.328 372 H VAL 60 H VAL 60 11.676 -9.375 -3.351 373 HA VAL 60 HA VAL 60 8.911 -8.433 -2.962 374 HB VAL 60 HB VAL 60 10.058 -7.260 -4.703 375 HG11 VAL 60 1HG1 VAL 60 11.046 -9.888 -5.862 376 HG12 VAL 60 2HG1 VAL 60 11.310 -8.309 -6.534 377 HG13 VAL 60 3HG1 VAL 60 12.046 -8.666 -5.000 378 HG21 VAL 60 3HG2 VAL 60 7.894 -7.849 -5.648 379 HG22 VAL 60 1HG2 VAL 60 9.101 -7.958 -6.910 380 HG23 VAL 60 2HG2 VAL 60 8.503 -9.443 -6.177 381 H SER 61 H SER 61 10.696 -11.274 -4.489 382 HA SER 61 HA SER 61 8.374 -12.544 -5.241 383 HB3 SER 61 2HB SER 61 9.831 -14.577 -5.400 384 HG SER 61 HG SER 61 11.157 -13.546 -6.940 385 H MET 62 H MET 62 9.519 -12.273 -2.100 386 HA MET 62 HA MET 62 8.416 -14.598 -0.877 387 HB3 MET 62 2HB MET 62 10.505 -13.382 -0.144 388 HG3 MET 62 2HG MET 62 8.504 -11.582 1.204 389 HE1 MET 62 3HE MET 62 11.581 -12.291 3.720 390 HE2 MET 62 1HE MET 62 9.893 -12.760 3.333 391 HE3 MET 62 2HE MET 62 11.245 -13.423 2.387 392 H ILE 63 H ILE 63 7.407 -11.230 -1.442 393 HA ILE 63 HA ILE 63 5.439 -11.146 0.552 394 HB ILE 63 HB ILE 63 5.271 -9.760 -2.101 395 HG13 ILE 63 2HG1 ILE 63 6.500 -7.848 -1.284 396 HG21 ILE 63 1HG2 ILE 63 4.341 -8.817 0.634 397 HG22 ILE 63 2HG2 ILE 63 4.228 -7.877 -0.871 398 HG23 ILE 63 3HG2 ILE 63 3.323 -9.371 -0.695 399 HD11 ILE 63 3HD1 ILE 63 7.727 -9.533 0.866 400 HD12 ILE 63 1HD1 ILE 63 8.052 -7.850 0.426 401 HD13 ILE 63 2HD1 ILE 63 6.504 -8.274 1.209 402 H LYS 64 H LYS 64 5.361 -12.342 -2.736 403 HA LYS 64 HA LYS 64 2.538 -12.721 -3.046 404 HB3 LYS 64 2HB LYS 64 3.170 -14.398 -4.725 405 HG3 LYS 64 2HG LYS 64 3.811 -11.654 -4.746 406 HD3 LYS 64 2HD LYS 64 6.237 -12.575 -4.959 407 HE3 LYS 64 2HE LYS 64 6.846 -12.732 -7.426 408 HZ1 LYS 64 3HZ LYS 64 6.564 -14.979 -7.652 409 HZ2 LYS 64 1HZ LYS 64 5.243 -15.099 -6.680 410 HZ3 LYS 64 2HZ LYS 64 6.752 -14.786 -6.061 411 H LYS 65 H LYS 65 5.035 -14.664 -1.419 412 HA LYS 65 HA LYS 65 3.385 -16.990 -1.112 413 HB3 LYS 65 2HB LYS 65 5.183 -17.483 0.686 414 HG3 LYS 65 2HG LYS 65 5.351 -17.536 -2.174 415 HD3 LYS 65 2HD LYS 65 7.098 -15.834 -1.822 416 HE3 LYS 65 2HE LYS 65 8.123 -16.532 0.296 417 HZ1 LYS 65 3HZ LYS 65 8.048 -18.903 0.170 418 HZ2 LYS 65 1HZ LYS 65 9.586 -18.425 0.380 419 HZ3 LYS 65 2HZ LYS 65 9.107 -18.939 -1.106 420 H GLN 66 H GLN 66 3.391 -13.918 0.514 421 HA GLN 66 HA GLN 66 1.954 -15.058 2.839 422 HB3 GLN 66 2HB GLN 66 1.991 -12.523 3.475 423 HG3 GLN 66 2HG GLN 66 3.348 -14.441 4.471 424 HE21 GLN 66 1HE2 GLN 66 5.832 -12.092 3.298 425 HE22 GLN 66 2HE2 GLN 66 6.813 -13.301 2.542 426 H GLY 67 H GLY 67 0.994 -14.446 -0.247 427 HA2 GLY 67 1HA GLY 67 -1.261 -14.826 -0.759 428 HA3 GLY 67 2HA GLY 67 -1.769 -14.042 0.733 429 H THR 68 H THR 68 0.483 -12.798 -1.764 430 HA THR 68 HA THR 68 -1.288 -10.417 -2.043 431 HB THR 68 HB THR 68 1.742 -10.508 -2.238 432 HG1 THR 68 1HG THR 68 1.661 -10.953 -0.219 433 HG21 THR 68 3HG2 THR 68 -0.197 -8.235 -1.628 434 HG22 THR 68 1HG2 THR 68 0.754 -8.433 -3.114 435 HG23 THR 68 2HG2 THR 68 1.575 -8.117 -1.607 436 H THR 69 H THR 69 -1.084 -9.190 -4.110 437 HA THR 69 HA THR 69 -0.162 -10.689 -6.467 438 HB THR 69 HB THR 69 -2.134 -9.530 -7.572 439 HG1 THR 69 1HG THR 69 -3.802 -8.821 -6.191 440 HG21 THR 69 3HG2 THR 69 -3.759 -11.264 -6.945 441 HG22 THR 69 1HG2 THR 69 -2.803 -11.656 -5.494 442 HG23 THR 69 2HG2 THR 69 -2.128 -11.952 -7.118 443 H LEU 70 H LEU 70 0.277 -9.152 -8.295 444 HA LEU 70 HA LEU 70 1.959 -7.038 -7.542 445 HB3 LEU 70 2HB LEU 70 0.572 -7.718 -10.187 446 HG LEU 70 HG LEU 70 1.386 -5.436 -10.441 447 HD11 LEU 70 1HD1 LEU 70 3.948 -6.488 -9.194 448 HD12 LEU 70 2HD1 LEU 70 2.955 -5.131 -8.631 449 HD13 LEU 70 3HD1 LEU 70 3.857 -4.999 -10.145 450 HD21 LEU 70 3HD2 LEU 70 1.805 -7.109 -12.237 451 HD22 LEU 70 1HD2 LEU 70 3.411 -7.434 -11.549 452 HD23 LEU 70 2HD2 LEU 70 3.027 -5.824 -12.204 453 H GLU 71 H GLU 71 -1.415 -7.051 -8.517 454 HA GLU 71 HA GLU 71 -1.942 -4.340 -8.892 455 HB3 GLU 71 2HB GLU 71 -4.238 -5.074 -7.991 456 HG3 GLU 71 2HG GLU 71 -3.358 -6.992 -10.109 457 H MET 72 H MET 72 -1.488 -6.041 -5.817 458 HA MET 72 HA MET 72 -2.748 -4.049 -4.181 459 HB3 MET 72 2HB MET 72 -0.432 -5.522 -3.018 460 HG3 MET 72 2HG MET 72 -2.546 -4.418 -1.886 461 HE1 MET 72 3HE MET 72 -2.605 -8.217 -1.617 462 HE2 MET 72 1HE MET 72 -4.224 -8.736 -2.120 463 HE3 MET 72 2HE MET 72 -3.047 -8.239 -3.340 464 H ILE 73 H ILE 73 0.428 -4.287 -5.685 465 HA ILE 73 HA ILE 73 1.765 -2.530 -3.801 466 HB ILE 73 HB ILE 73 2.671 -3.757 -6.445 467 HG13 ILE 73 2HG1 ILE 73 3.749 -5.480 -5.082 468 HG21 ILE 73 1HG2 ILE 73 4.300 -2.660 -4.141 469 HG22 ILE 73 2HG2 ILE 73 4.952 -3.582 -5.507 470 HG23 ILE 73 3HG2 ILE 73 4.180 -2.026 -5.796 471 HD11 ILE 73 3HD1 ILE 73 2.911 -6.053 -2.845 472 HD12 ILE 73 1HD1 ILE 73 3.722 -4.483 -2.814 473 HD13 ILE 73 2HD1 ILE 73 1.943 -4.564 -2.813 474 H THR 74 H THR 74 0.650 -2.306 -7.184 475 HA THR 74 HA THR 74 1.573 0.370 -7.646 476 HB THR 74 HB THR 74 1.187 -1.181 -9.321 477 HG1 THR 74 1HG THR 74 -0.724 0.917 -9.542 478 HG21 THR 74 3HG2 THR 74 -1.701 -1.469 -8.610 479 HG22 THR 74 1HG2 THR 74 -0.376 -2.686 -8.708 480 HG23 THR 74 2HG2 THR 74 -0.988 -1.931 -10.172 481 H ALA 75 H ALA 75 -1.367 -0.999 -6.435 482 HA ALA 75 HA ALA 75 -2.836 1.525 -6.363 483 HB1 ALA 75 1HB ALA 75 -3.345 -0.964 -4.705 484 HB2 ALA 75 2HB ALA 75 -4.444 0.430 -4.907 485 HB3 ALA 75 3HB ALA 75 -4.023 -0.569 -6.310 486 H TRP 76 H TRP 76 -1.006 -0.167 -3.770 487 HA TRP 76 HA TRP 76 -1.473 1.949 -1.845 488 HB3 TRP 76 2HB TRP 76 0.455 0.677 -0.665 489 HD1 TRP 76 HD TRP 76 -1.654 -2.267 -1.380 490 HE1 TRP 76 1HE TRP 76 -3.656 -2.420 0.233 491 HE3 TRP 76 3HE TRP 76 -1.343 2.373 0.761 492 HZ2 TRP 76 2HZ TRP 76 -4.754 -0.887 2.374 493 HZ3 TRP 76 3HZ TRP 76 -2.912 3.015 2.545 494 HH2 TRP 76 HH TRP 76 -4.635 1.406 3.360 495 H GLN 77 H GLN 77 0.934 1.387 -4.391 496 HA GLN 77 HA GLN 77 2.755 3.426 -3.544 497 HB3 GLN 77 2HB GLN 77 1.944 2.433 -6.319 498 HG3 GLN 77 2HG GLN 77 4.018 4.483 -5.526 499 HE21 GLN 77 1HE2 GLN 77 5.626 2.832 -5.847 500 HE22 GLN 77 2HE2 GLN 77 6.076 2.331 -7.485 501 H ASP 78 H ASP 78 0.105 3.529 -5.910 502 HA ASP 78 HA ASP 78 0.460 6.228 -6.425 503 HB3 ASP 78 2HB ASP 78 -2.274 4.971 -6.818 504 H PHE 79 H PHE 79 -1.720 4.691 -4.093 505 HA PHE 79 HA PHE 79 -3.307 6.850 -3.289 506 HB3 PHE 79 2HB PHE 79 -1.966 4.724 -1.560 507 HD1 PHE 79 1HD PHE 79 -5.523 5.792 -1.603 508 HD2 PHE 79 2HD PHE 79 -1.747 6.141 0.462 509 HE1 PHE 79 1HE PHE 79 -6.665 6.848 0.297 510 HE2 PHE 79 2HE PHE 79 -2.881 7.304 2.322 511 HZ PHE 79 HZ PHE 79 -5.354 7.648 2.271 512 H TYR 80 H TYR 80 0.126 6.258 -2.462 513 HA TYR 80 HA TYR 80 0.202 8.657 -0.742 514 HB3 TYR 80 2HB TYR 80 2.641 7.936 -0.543 515 HD1 TYR 80 2HD TYR 80 0.739 8.310 1.486 516 HD2 TYR 80 1HD TYR 80 1.987 4.590 -0.296 517 HE1 TYR 80 2HE TYR 80 -0.041 7.111 3.473 518 HE2 TYR 80 1HE TYR 80 1.211 3.363 1.695 519 HH TYR 80 HH TYR 80 -0.972 4.708 3.850 520 H GLU 81 H GLU 81 1.489 7.550 -3.913 521 HA GLU 81 HA GLU 81 3.099 9.820 -4.485 522 HB3 GLU 81 2HB GLU 81 2.649 9.300 -6.896 523 HG3 GLU 81 2HG GLU 81 3.104 6.696 -5.502 524 H GLN 82 H GLN 82 -0.442 9.453 -5.032 525 HA GLN 82 HA GLN 82 -0.693 11.877 -6.472 526 HB3 GLN 82 2HB GLN 82 -3.097 11.802 -5.741 527 HG3 GLN 82 2HG GLN 82 -3.794 9.806 -6.829 528 HE21 GLN 82 1HE2 GLN 82 -1.023 8.815 -8.429 529 HE22 GLN 82 2HE2 GLN 82 -1.014 10.011 -9.689 530 H GLU 83 H GLU 83 -0.020 11.491 -3.087 531 HA GLU 83 HA GLU 83 -1.191 14.048 -2.281 532 HB3 GLU 83 2HB GLU 83 -0.182 13.568 -0.106 533 HG3 GLU 83 2HG GLU 83 -1.334 11.521 0.474 534 H GLN 84 H GLN 84 1.987 12.842 -3.308 535 HA GLN 84 HA GLN 84 3.454 15.086 -2.324 536 HB3 GLN 84 2HB GLN 84 5.012 14.391 -4.378 537 HG3 GLN 84 2HG GLN 84 5.523 14.045 -1.961 538 HE21 GLN 84 1HE2 GLN 84 4.557 10.873 -3.242 539 HE22 GLN 84 2HE2 GLN 84 3.376 10.555 -1.980 540 H GLN 85 H GLN 85 1.286 14.834 -4.953 541 HA GLN 85 HA GLN 85 2.150 17.043 -6.574 542 HB3 GLN 85 2HB GLN 85 -0.109 16.961 -7.485 543 HG3 GLN 85 2HG GLN 85 0.885 14.135 -6.864 544 HE21 GLN 85 1HE2 GLN 85 -1.729 14.026 -6.709 545 HE22 GLN 85 2HE2 GLN 85 -2.383 13.400 -8.212 546 H ARG 86 H ARG 86 -0.217 16.750 -3.900 547 HA ARG 86 HA ARG 86 -0.741 19.649 -3.918 548 HB3 ARG 86 2HB ARG 86 -2.603 18.186 -3.548 549 HG3 ARG 86 2HG ARG 86 -1.206 17.166 -1.036 550 HD3 ARG 86 2HD ARG 86 -3.287 15.607 -1.121 551 HE ARG 86 HE ARG 86 -3.950 18.392 -0.304 552 HH11 ARG 86 1HH1 ARG 86 -2.977 15.063 0.722 553 HH12 ARG 86 2HH1 ARG 86 -2.911 15.471 2.386 554 HH21 ARG 86 1HH2 ARG 86 -4.082 18.806 1.921 555 HH22 ARG 86 2HH2 ARG 86 -3.631 17.599 3.090 556 H ASN 87 H ASN 87 1.225 17.414 -1.943 557 HA ASN 87 HA ASN 87 2.376 19.793 -0.702 558 HB3 ASN 87 2HB ASN 87 1.093 19.317 1.119 559 HD21 ASN 87 1HD2 ASN 87 2.198 16.013 0.156 560 HD22 ASN 87 2HD2 ASN 87 0.832 15.216 0.872 561 H GLU 88 H GLU 88 4.274 19.688 -1.821 562 HA GLU 88 HA GLU 88 5.525 17.289 -2.609 563 HB3 GLU 88 2HB GLU 88 7.589 18.745 -2.816 564 HG3 GLU 88 2HG GLU 88 5.354 20.271 -4.127 565 H ASN 89 H ASN 89 5.545 18.808 0.546 566 HA ASN 89 HA ASN 89 8.246 17.828 1.157 567 HB3 ASN 89 2HB ASN 89 8.045 19.157 3.196 568 HD21 ASN 89 1HD2 ASN 89 9.257 19.544 0.635 569 HD22 ASN 89 2HD2 ASN 89 8.824 21.158 0.077 570 H ASN 90 H ASN 90 6.619 15.708 0.680 571 HA ASN 90 HA ASN 90 6.098 14.560 3.380 572 HB3 ASN 90 2HB ASN 90 4.220 13.308 1.966 573 HD21 ASN 90 1HD2 ASN 90 3.409 13.435 4.048 574 HD22 ASN 90 2HD2 ASN 90 2.852 14.926 4.782 575 HA PRO 91 HA PRO 91 9.102 11.874 1.232 576 HB3 PRO 91 2HB PRO 91 10.876 12.935 2.318 577 HG3 PRO 91 2HG PRO 91 10.542 13.926 4.489 578 HD3 PRO 91 2HD PRO 91 8.964 14.888 3.095 579 H THR 92 H THR 92 7.203 11.514 4.324 580 HA THR 92 HA THR 92 7.795 8.749 4.683 581 HB THR 92 HB THR 92 5.281 10.245 5.557 582 HG1 THR 92 1HG THR 92 6.527 10.699 7.441 583 HG21 THR 92 3HG2 THR 92 5.293 8.643 7.402 584 HG22 THR 92 1HG2 THR 92 6.811 7.931 6.817 585 HG23 THR 92 2HG2 THR 92 5.327 7.755 5.875 586 H ALA 93 H ALA 93 5.074 10.502 3.125 587 HA ALA 93 HA ALA 93 3.741 8.249 1.898 588 HB1 ALA 93 1HB ALA 93 3.889 11.196 1.315 589 HB2 ALA 93 2HB ALA 93 2.980 10.072 0.293 590 HB3 ALA 93 3HB ALA 93 2.547 10.266 1.997 591 H LYS 94 H LYS 94 6.176 10.564 0.548 592 HA LYS 94 HA LYS 94 6.423 9.362 -1.893 593 HB3 LYS 94 2HB LYS 94 8.663 10.686 -0.342 594 HG3 LYS 94 2HG LYS 94 8.149 10.197 -3.260 595 HD3 LYS 94 2HD LYS 94 8.455 12.557 -3.075 596 HE3 LYS 94 2HE LYS 94 11.032 11.906 -1.589 597 HZ1 LYS 94 3HZ LYS 94 11.277 14.324 -1.540 598 HZ2 LYS 94 1HZ LYS 94 10.018 14.466 -2.595 599 HZ3 LYS 94 2HZ LYS 94 11.417 13.680 -3.057 600 H TYR 95 H TYR 95 8.640 8.539 0.889 601 HA TYR 95 HA TYR 95 10.074 6.608 -0.665 602 HB3 TYR 95 2HB TYR 95 10.717 5.627 1.566 603 HD1 TYR 95 2HD TYR 95 12.451 6.764 -0.290 604 HD2 TYR 95 1HD TYR 95 10.909 8.531 3.330 605 HE1 TYR 95 2HE TYR 95 14.462 8.123 -0.123 606 HE2 TYR 95 1HE TYR 95 12.973 9.860 3.568 607 HH TYR 95 HH TYR 95 15.494 9.895 1.087 608 H ARG 96 H ARG 96 7.301 6.064 1.724 609 HA ARG 96 HA ARG 96 7.386 3.278 1.221 610 HB3 ARG 96 2HB ARG 96 6.375 4.280 3.217 611 HG3 ARG 96 2HG ARG 96 3.814 4.646 1.683 612 HD3 ARG 96 2HD ARG 96 4.756 5.077 4.504 613 HE ARG 96 HE ARG 96 4.098 7.291 3.206 614 HH11 ARG 96 1HH1 ARG 96 2.723 5.745 6.096 615 HH12 ARG 96 2HH1 ARG 96 1.698 7.082 6.482 616 HH21 ARG 96 1HH2 ARG 96 2.764 9.127 3.808 617 HH22 ARG 96 2HH2 ARG 96 1.890 9.056 5.283 618 H ALA 97 H ALA 97 5.685 5.888 -0.644 619 HA ALA 97 HA ALA 97 4.316 4.166 -2.382 620 HB1 ALA 97 1HB ALA 97 4.105 6.062 -3.739 621 HB2 ALA 97 2HB ALA 97 4.214 6.761 -2.127 622 HB3 ALA 97 3HB ALA 97 5.613 6.805 -3.193 623 H ARG 98 H ARG 98 7.576 5.666 -2.642 624 HA ARG 98 HA ARG 98 8.132 4.456 -5.161 625 HB3 ARG 98 2HB ARG 98 10.608 5.160 -4.304 626 HG3 ARG 98 2HG ARG 98 8.278 6.883 -5.179 627 HD3 ARG 98 2HD ARG 98 11.148 7.693 -4.658 628 HE ARG 98 HE ARG 98 11.212 8.943 -6.535 629 HH11 ARG 98 1HH1 ARG 98 7.664 8.281 -6.167 630 HH12 ARG 98 2HH1 ARG 98 7.344 9.121 -7.610 631 HH21 ARG 98 1HH2 ARG 98 10.572 10.198 -8.347 632 HH22 ARG 98 2HH2 ARG 98 8.917 10.237 -8.779 633 H LEU 99 H LEU 99 8.567 3.201 -1.916 634 HA LEU 99 HA LEU 99 10.460 1.169 -2.556 635 HB3 LEU 99 2HB LEU 99 8.273 0.917 -0.471 636 HG LEU 99 HG LEU 99 11.196 0.104 -0.699 637 HD11 LEU 99 1HD1 LEU 99 9.390 0.274 1.755 638 HD12 LEU 99 2HD1 LEU 99 10.867 1.219 1.469 639 HD13 LEU 99 3HD1 LEU 99 10.981 -0.522 1.755 640 HD21 LEU 99 3HD2 LEU 99 8.852 -1.610 -0.046 641 HD22 LEU 99 1HD2 LEU 99 10.568 -2.065 0.068 642 HD23 LEU 99 2HD2 LEU 99 9.909 -1.629 -1.495 643 H MET 100 H MET 100 6.937 1.191 -2.478 644 HA MET 100 HA MET 100 6.335 -1.304 -3.527 645 HB3 MET 100 2HB MET 100 4.278 -0.324 -4.418 646 HG3 MET 100 2HG MET 100 3.924 1.670 -2.609 647 HE1 MET 100 3HE MET 100 2.877 -2.627 -1.292 648 HE2 MET 100 1HE MET 100 4.471 -2.188 -1.966 649 HE3 MET 100 2HE MET 100 4.005 -1.670 -0.318 650 H LYS 101 H LYS 101 7.632 1.523 -5.324 651 HA LYS 101 HA LYS 101 6.985 0.722 -7.976 652 HB3 LYS 101 2HB LYS 101 9.586 2.110 -7.172 653 HG3 LYS 101 2HG LYS 101 8.987 1.393 -9.645 654 HD3 LYS 101 2HD LYS 101 6.931 3.392 -9.190 655 HE3 LYS 101 2HE LYS 101 9.198 4.164 -11.065 656 HZ1 LYS 101 3HZ LYS 101 6.520 5.389 -10.771 657 HZ2 LYS 101 1HZ LYS 101 7.061 4.595 -12.084 658 HZ3 LYS 101 2HZ LYS 101 7.743 6.020 -11.657 659 H LYS 102 H LYS 102 10.160 0.200 -6.291 660 HA LYS 102 HA LYS 102 11.135 -1.423 -8.359 661 HB3 LYS 102 2HB LYS 102 12.827 -2.067 -6.812 662 HG3 LYS 102 2HG LYS 102 12.295 0.850 -6.224 663 HD3 LYS 102 2HD LYS 102 14.483 -0.717 -5.834 664 HE3 LYS 102 2HE LYS 102 15.280 0.812 -8.315 665 HZ1 LYS 102 3HZ LYS 102 16.952 -0.502 -6.977 666 HZ2 LYS 102 1HZ LYS 102 16.819 -0.981 -8.533 667 HZ3 LYS 102 2HZ LYS 102 16.087 -1.874 -7.406 668 H ILE 103 H ILE 103 9.334 -2.301 -5.373 669 HA ILE 103 HA ILE 103 9.477 -5.107 -5.745 670 HB ILE 103 HB ILE 103 7.471 -3.272 -4.389 671 HG13 ILE 103 2HG1 ILE 103 9.832 -3.408 -3.516 672 HG21 ILE 103 1HG2 ILE 103 7.591 -6.280 -4.020 673 HG22 ILE 103 2HG2 ILE 103 6.439 -5.148 -3.287 674 HG23 ILE 103 3HG2 ILE 103 6.356 -5.479 -5.012 675 HD11 ILE 103 3HD1 ILE 103 9.421 -3.920 -1.226 676 HD12 ILE 103 1HD1 ILE 103 8.020 -3.048 -1.874 677 HD13 ILE 103 2HD1 ILE 103 7.943 -4.813 -1.604 678 H ALA 104 H ALA 104 7.066 -2.772 -7.179 679 HA ALA 104 HA ALA 104 5.664 -4.906 -8.537 680 HB1 ALA 104 1HB ALA 104 4.548 -2.945 -9.719 681 HB2 ALA 104 2HB ALA 104 4.456 -2.846 -7.975 682 HB3 ALA 104 3HB ALA 104 5.657 -1.863 -8.858 683 H ASP 105 H ASP 105 8.563 -3.227 -9.199 684 HA ASP 105 HA ASP 105 8.580 -3.494 -12.108 685 HB3 ASP 105 2HB ASP 105 10.988 -2.993 -10.313 686 H LEU 106 H LEU 106 10.109 -5.013 -9.311 687 HA LEU 106 HA LEU 106 11.509 -7.111 -10.784 688 HB3 LEU 106 2HB LEU 106 12.114 -7.816 -8.458 689 HG LEU 106 HG LEU 106 12.583 -4.895 -9.099 690 HD11 LEU 106 1HD1 LEU 106 13.589 -6.446 -6.671 691 HD12 LEU 106 2HD1 LEU 106 12.463 -5.072 -6.655 692 HD13 LEU 106 3HD1 LEU 106 14.128 -4.816 -7.177 693 HD21 LEU 106 3HD2 LEU 106 14.909 -5.684 -9.373 694 HD22 LEU 106 1HD2 LEU 106 13.796 -6.551 -10.442 695 HD23 LEU 106 2HD2 LEU 106 14.414 -7.329 -8.955 696 H TRP 107 H TRP 107 8.306 -6.883 -10.418 697 HA TRP 107 HA TRP 107 7.715 -9.206 -8.959 698 HB3 TRP 107 2HB TRP 107 5.927 -7.991 -11.100 699 HD1 TRP 107 HD TRP 107 4.222 -10.037 -11.061 700 HE1 TRP 107 1HE TRP 107 2.549 -10.889 -9.340 701 HE3 TRP 107 3HE TRP 107 5.714 -7.279 -7.046 702 HZ2 TRP 107 2HZ TRP 107 1.996 -10.566 -6.570 703 HZ3 TRP 107 3HZ TRP 107 4.409 -7.438 -4.906 704 HH2 TRP 107 HH TRP 107 2.608 -9.082 -4.641 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -31.400 14.101 5.472 2 HA2 GLY 1 1HA GLY 1 -29.024 13.044 6.874 3 HA3 GLY 1 2HA GLY 1 -29.549 14.738 7.065 4 H THR 2 H THR 2 -29.460 12.334 8.982 5 HA THR 2 HA THR 2 -30.695 11.262 10.524 6 HB THR 2 HB THR 2 -32.758 13.478 10.324 7 HG1 THR 2 1HG THR 2 -31.438 14.781 11.367 8 HG21 THR 2 3HG2 THR 2 -32.863 13.201 12.780 9 HG22 THR 2 1HG2 THR 2 -31.628 11.923 12.702 10 HG23 THR 2 2HG2 THR 2 -33.228 11.669 11.971 11 H ASP 3 H ASP 3 -30.852 10.245 8.071 12 HA ASP 3 HA ASP 3 -33.566 10.115 7.021 13 HB3 ASP 3 2HB ASP 3 -32.581 9.003 5.132 14 H PHE 4 H PHE 4 -34.768 8.924 8.553 15 HA PHE 4 HA PHE 4 -34.151 6.026 8.579 16 HB3 PHE 4 2HB PHE 4 -33.712 7.025 10.844 17 HD1 PHE 4 1HD PHE 4 -34.493 9.427 11.138 18 HD2 PHE 4 2HD PHE 4 -37.184 6.076 11.502 19 HE1 PHE 4 1HE PHE 4 -36.134 10.870 12.297 20 HE2 PHE 4 2HE PHE 4 -38.817 7.520 12.675 21 HZ PHE 4 HZ PHE 4 -38.301 9.920 13.075 22 H GLY 5 H GLY 5 -36.328 4.815 9.103 23 HA2 GLY 5 1HA GLY 5 -38.843 5.254 8.754 24 HA3 GLY 5 2HA GLY 5 -38.311 5.908 7.193 25 H THR 6 H THR 6 -39.216 4.240 5.884 26 HA THR 6 HA THR 6 -38.952 1.438 6.555 27 HB THR 6 HB THR 6 -40.355 1.406 4.358 28 HG1 THR 6 1HG THR 6 -40.211 3.260 3.375 29 HG21 THR 6 3HG2 THR 6 -41.436 3.060 6.682 30 HG22 THR 6 1HG2 THR 6 -41.405 1.280 6.598 31 HG23 THR 6 2HG2 THR 6 -42.384 2.207 5.449 32 H THR 7 H THR 7 -36.356 2.648 6.161 33 HA THR 7 HA THR 7 -35.796 3.010 3.450 34 HB THR 7 HB THR 7 -34.526 4.149 5.138 35 HG1 THR 7 1HG THR 7 -33.326 2.775 3.171 36 HG21 THR 7 3HG2 THR 7 -32.852 3.106 6.578 37 HG22 THR 7 1HG2 THR 7 -33.301 1.497 5.997 38 HG23 THR 7 2HG2 THR 7 -34.454 2.464 6.945 39 H ASN 8 H ASN 8 -35.588 0.131 5.430 40 HA ASN 8 HA ASN 8 -33.992 -1.412 3.520 41 HB3 ASN 8 2HB ASN 8 -35.540 -2.178 6.039 42 HD21 ASN 8 1HD2 ASN 8 -32.714 -3.221 3.936 43 HD22 ASN 8 2HD2 ASN 8 -33.259 -4.891 3.999 44 H ASN 9 H ASN 9 -37.316 -0.566 3.740 45 HA ASN 9 HA ASN 9 -38.324 -3.099 2.589 46 HB3 ASN 9 2HB ASN 9 -39.725 -0.601 3.609 47 HD21 ASN 9 1HD2 ASN 9 -40.283 -4.089 2.616 48 HD22 ASN 9 2HD2 ASN 9 -41.967 -3.749 2.268 49 H PHE 10 H PHE 10 -36.770 -0.474 1.299 50 HA PHE 10 HA PHE 10 -38.372 -0.554 -1.160 51 HB3 PHE 10 2HB PHE 10 -37.387 2.073 -0.004 52 HD1 PHE 10 2HD PHE 10 -40.428 0.597 -1.701 53 HD2 PHE 10 1HD PHE 10 -37.374 3.647 -1.790 54 HE1 PHE 10 2HE PHE 10 -41.447 1.566 -3.743 55 HE2 PHE 10 1HE PHE 10 -38.396 4.607 -3.827 56 HZ PHE 10 HZ PHE 10 -40.432 3.570 -4.816 57 H VAL 11 H VAL 11 -37.012 0.874 -2.845 58 HA VAL 11 HA VAL 11 -34.305 -0.230 -2.948 59 HB VAL 11 HB VAL 11 -35.743 -0.211 -4.943 60 HG11 VAL 11 1HG1 VAL 11 -36.291 1.875 -6.145 61 HG12 VAL 11 2HG1 VAL 11 -37.125 1.769 -4.594 62 HG13 VAL 11 3HG1 VAL 11 -35.708 2.828 -4.765 63 HG21 VAL 11 3HG2 VAL 11 -33.284 -0.069 -5.201 64 HG22 VAL 11 1HG2 VAL 11 -34.181 0.646 -6.548 65 HG23 VAL 11 2HG2 VAL 11 -33.422 1.701 -5.346 66 H SER 12 H SER 12 -32.506 1.301 -3.128 67 HA SER 12 HA SER 12 -32.978 4.013 -2.030 68 HB3 SER 12 2HB SER 12 -30.754 3.786 -0.853 69 HG SER 12 HG SER 12 -32.889 2.045 -0.148 70 HA PRO 13 HA PRO 13 -30.975 5.115 -5.726 71 HB3 PRO 13 2HB PRO 13 -31.478 7.302 -5.211 72 HG3 PRO 13 2HG PRO 13 -31.181 8.164 -3.007 73 HD3 PRO 13 2HD PRO 13 -32.489 6.217 -2.746 74 H ASN 14 H ASN 14 -28.852 5.877 -6.730 75 HA ASN 14 HA ASN 14 -26.706 4.171 -6.498 76 HB3 ASN 14 2HB ASN 14 -25.461 6.364 -7.444 77 HD21 ASN 14 1HD2 ASN 14 -24.994 4.035 -8.322 78 HD22 ASN 14 2HD2 ASN 14 -25.762 3.700 -9.865 79 H LEU 15 H LEU 15 -25.912 3.824 -4.601 80 HA LEU 15 HA LEU 15 -24.576 5.996 -3.071 81 HB3 LEU 15 2HB LEU 15 -24.068 3.012 -2.749 82 HG LEU 15 HG LEU 15 -22.539 4.934 -1.721 83 HD11 LEU 15 1HD1 LEU 15 -24.576 6.244 -0.864 84 HD12 LEU 15 2HD1 LEU 15 -23.348 5.888 0.359 85 HD13 LEU 15 3HD1 LEU 15 -24.842 4.937 0.287 86 HD21 LEU 15 3HD2 LEU 15 -22.299 2.609 -1.051 87 HD22 LEU 15 1HD2 LEU 15 -23.725 2.737 0.003 88 HD23 LEU 15 2HD2 LEU 15 -22.254 3.654 0.376 89 H GLN 16 H GLN 16 -23.355 6.990 -4.828 90 HA GLN 16 HA GLN 16 -21.139 5.359 -5.980 91 HB3 GLN 16 2HB GLN 16 -20.717 7.474 -7.294 92 HG3 GLN 16 2HG GLN 16 -22.997 7.373 -8.568 93 HE21 GLN 16 1HE2 GLN 16 -22.409 3.979 -8.206 94 HE22 GLN 16 2HE2 GLN 16 -21.209 3.854 -9.506 95 H LEU 17 H LEU 17 -21.368 6.060 -3.055 96 HA LEU 17 HA LEU 17 -18.795 7.428 -2.738 97 HB3 LEU 17 2HB LEU 17 -20.297 9.253 -2.610 98 HG LEU 17 HG LEU 17 -21.737 7.987 -0.227 99 HD11 LEU 17 1HD1 LEU 17 -22.865 10.139 -0.062 100 HD12 LEU 17 2HD1 LEU 17 -21.937 10.763 -1.447 101 HD13 LEU 17 3HD1 LEU 17 -21.114 10.350 0.064 102 HD21 LEU 17 3HD2 LEU 17 -22.856 7.219 -2.225 103 HD22 LEU 17 1HD2 LEU 17 -22.762 8.825 -2.964 104 HD23 LEU 17 2HD2 LEU 17 -23.813 8.534 -1.558 105 H LYS 18 H LYS 18 -17.887 5.517 -2.232 106 HA LYS 18 HA LYS 18 -18.588 4.253 0.370 107 HB3 LYS 18 2HB LYS 18 -16.541 2.803 -0.275 108 HG3 LYS 18 2HG LYS 18 -18.849 2.600 -2.225 109 HD3 LYS 18 2HD LYS 18 -16.923 0.646 -0.889 110 HE3 LYS 18 2HE LYS 18 -19.301 -0.181 -0.922 111 HZ1 LYS 18 3HZ LYS 18 -20.122 0.594 -3.017 112 HZ2 LYS 18 1HZ LYS 18 -19.969 -1.039 -3.092 113 HZ3 LYS 18 2HZ LYS 18 -18.865 -0.112 -3.849 114 H GLN 19 H GLN 19 -16.424 3.700 1.593 115 HA GLN 19 HA GLN 19 -14.878 6.079 2.250 116 HB3 GLN 19 2HB GLN 19 -15.629 4.386 3.951 117 HG3 GLN 19 2HG GLN 19 -13.544 2.531 2.728 118 HE21 GLN 19 1HE2 GLN 19 -16.557 1.444 4.105 119 HE22 GLN 19 2HE2 GLN 19 -15.974 1.136 5.722 120 H ASN 20 H ASN 20 -12.488 5.677 2.288 121 HA ASN 20 HA ASN 20 -11.435 4.556 -0.250 122 HB3 ASN 20 2HB ASN 20 -9.921 5.916 2.001 123 HD21 ASN 20 1HD2 ASN 20 -8.364 3.990 1.289 124 HD22 ASN 20 2HD2 ASN 20 -7.404 4.338 -0.157 125 H VAL 21 H VAL 21 -11.711 2.429 0.023 126 HA VAL 21 HA VAL 21 -11.098 0.819 2.320 127 HB VAL 21 HB VAL 21 -11.420 0.189 -0.652 128 HG11 VAL 21 1HG1 VAL 21 -11.895 -1.703 1.695 129 HG12 VAL 21 2HG1 VAL 21 -12.093 -2.052 -0.031 130 HG13 VAL 21 3HG1 VAL 21 -10.484 -1.758 0.612 131 HG21 VAL 21 3HG2 VAL 21 -13.427 1.346 0.197 132 HG22 VAL 21 1HG2 VAL 21 -13.791 -0.358 -0.065 133 HG23 VAL 21 2HG2 VAL 21 -13.497 0.244 1.588 134 H LEU 22 H LEU 22 -9.228 -0.540 2.627 135 HA LEU 22 HA LEU 22 -6.727 0.479 1.488 136 HB3 LEU 22 2HB LEU 22 -5.767 -1.549 2.829 137 HG LEU 22 HG LEU 22 -7.248 0.497 4.519 138 HD11 LEU 22 1HD1 LEU 22 -4.785 -1.239 5.074 139 HD12 LEU 22 2HD1 LEU 22 -6.409 -1.530 5.713 140 HD13 LEU 22 3HD1 LEU 22 -5.532 -0.074 6.194 141 HD21 LEU 22 3HD2 LEU 22 -5.783 1.718 2.991 142 HD22 LEU 22 1HD2 LEU 22 -4.431 0.611 3.338 143 HD23 LEU 22 2HD2 LEU 22 -5.072 1.702 4.598 144 HA PRO 23 HA PRO 23 -6.274 -2.637 -1.712 145 HB3 PRO 23 2HB PRO 23 -4.482 -1.537 -2.554 146 HG3 PRO 23 2HG PRO 23 -3.121 -0.212 -1.149 147 HD3 PRO 23 2HD PRO 23 -5.255 0.382 -0.387 148 HA PRO 24 HA PRO 24 -5.912 -6.615 -0.024 149 HB3 PRO 24 2HB PRO 24 -6.386 -7.479 -2.116 150 HG3 PRO 24 2HG PRO 24 -5.342 -6.600 -4.082 151 HD3 PRO 24 2HD PRO 24 -6.367 -4.796 -2.917 152 H THR 25 H THR 25 -4.563 -8.388 0.760 153 HA THR 25 HA THR 25 -1.647 -7.935 0.916 154 HB THR 25 HB THR 25 -1.943 -8.590 3.415 155 HG1 THR 25 1HG THR 25 -3.903 -8.326 4.292 156 HG21 THR 25 3HG2 THR 25 -3.065 -5.878 2.603 157 HG22 THR 25 1HG2 THR 25 -1.335 -6.274 2.589 158 HG23 THR 25 2HG2 THR 25 -2.237 -6.293 4.118 159 HA PRO 26 HA PRO 26 -1.753 -12.311 0.226 160 HB3 PRO 26 2HB PRO 26 0.543 -12.343 -0.051 161 HG3 PRO 26 2HG PRO 26 1.915 -10.892 1.180 162 HD3 PRO 26 2HD PRO 26 0.301 -9.293 0.740 163 H LYS 27 H LYS 27 -2.531 -14.134 1.211 164 HA LYS 27 HA LYS 27 -3.591 -13.859 3.930 165 HB3 LYS 27 2HB LYS 27 -5.064 -14.879 2.378 166 HG3 LYS 27 2HG LYS 27 -2.731 -16.675 1.708 167 HD3 LYS 27 2HD LYS 27 -4.838 -17.939 0.516 168 HE3 LYS 27 2HE LYS 27 -2.939 -19.042 1.601 169 HZ1 LYS 27 3HZ LYS 27 -3.024 -17.990 3.777 170 HZ2 LYS 27 1HZ LYS 27 -3.047 -19.612 3.897 171 HZ3 LYS 27 2HZ LYS 27 -4.425 -18.742 4.161 172 H ASN 28 H ASN 28 -0.987 -13.642 4.321 173 HA ASN 28 HA ASN 28 -0.084 -16.213 5.405 174 HB3 ASN 28 2HB ASN 28 2.278 -14.995 5.053 175 HD21 ASN 28 1HD2 ASN 28 1.250 -15.524 1.778 176 HD22 ASN 28 2HD2 ASN 28 1.802 -17.177 1.747 177 H ILE 29 H ILE 29 0.014 -12.581 5.554 178 HA ILE 29 HA ILE 29 0.031 -12.699 8.467 179 HB ILE 29 HB ILE 29 1.938 -11.330 8.713 180 HG13 ILE 29 2HG1 ILE 29 3.355 -10.404 7.038 181 HG21 ILE 29 1HG2 ILE 29 3.802 -12.621 7.857 182 HG22 ILE 29 2HG2 ILE 29 2.491 -13.657 8.491 183 HG23 ILE 29 3HG2 ILE 29 2.743 -13.466 6.730 184 HD11 ILE 29 3HD1 ILE 29 2.796 -10.311 4.703 185 HD12 ILE 29 1HD1 ILE 29 3.164 -11.969 5.145 186 HD13 ILE 29 2HD1 ILE 29 1.469 -11.444 4.895 187 HA PRO 30 HA PRO 30 -2.522 -9.128 7.491 188 HB3 PRO 30 2HB PRO 30 -3.203 -9.224 9.706 189 HG3 PRO 30 2HG PRO 30 -1.644 -9.586 11.468 190 HD3 PRO 30 2HD PRO 30 -1.051 -11.368 10.065 191 H LEU 31 H LEU 31 -2.493 -6.715 7.220 192 HA LEU 31 HA LEU 31 -0.463 -5.627 5.811 193 HB3 LEU 31 2HB LEU 31 -2.476 -4.215 7.563 194 HG LEU 31 HG LEU 31 -2.256 -2.452 5.731 195 HD11 LEU 31 1HD1 LEU 31 -0.790 -1.027 6.971 196 HD12 LEU 31 2HD1 LEU 31 -0.013 -2.374 7.779 197 HD13 LEU 31 3HD1 LEU 31 -1.719 -2.001 8.111 198 HD21 LEU 31 3HD2 LEU 31 -0.316 -2.075 4.546 199 HD22 LEU 31 1HD2 LEU 31 -0.458 -3.814 4.428 200 HD23 LEU 31 2HD2 LEU 31 0.710 -3.079 5.567 201 HA PRO 32 HA PRO 32 1.836 -3.421 9.285 202 HB3 PRO 32 2HB PRO 32 0.532 -2.780 11.043 203 HG3 PRO 32 2HG PRO 32 -1.190 -4.193 11.872 204 HD3 PRO 32 2HD PRO 32 -1.544 -3.905 9.555 205 H ALA 33 H ALA 33 1.534 -6.785 8.981 206 HA ALA 33 HA ALA 33 4.320 -7.225 9.937 207 HB1 ALA 33 1HB ALA 33 3.829 -9.613 9.535 208 HB2 ALA 33 2HB ALA 33 2.791 -8.908 10.795 209 HB3 ALA 33 3HB ALA 33 2.145 -9.173 9.166 210 H PHE 34 H PHE 34 2.048 -7.364 7.173 211 HA PHE 34 HA PHE 34 3.748 -8.425 5.305 212 HB3 PHE 34 2HB PHE 34 1.463 -6.496 4.898 213 HD1 PHE 34 1HD PHE 34 3.541 -9.200 3.177 214 HD2 PHE 34 2HD PHE 34 0.944 -5.763 2.737 215 HE1 PHE 34 1HE PHE 34 4.041 -9.109 0.797 216 HE2 PHE 34 2HE PHE 34 1.460 -5.720 0.307 217 HZ PHE 34 HZ PHE 34 3.014 -7.376 -0.664 218 H GLY 35 H GLY 35 3.922 -5.241 6.512 219 HA2 GLY 35 1HA GLY 35 5.834 -4.392 4.373 220 HA3 GLY 35 2HA GLY 35 5.129 -3.344 5.575 221 H GLN 36 H GLN 36 5.522 -4.191 7.875 222 HA GLN 36 HA GLN 36 8.098 -3.300 8.347 223 HB3 GLN 36 2HB GLN 36 7.556 -3.583 10.700 224 HG3 GLN 36 2HG GLN 36 5.011 -2.887 9.185 225 HE21 GLN 36 1HE2 GLN 36 3.764 -1.115 10.339 226 HE22 GLN 36 2HE2 GLN 36 3.693 -1.340 12.102 227 H ARG 37 H ARG 37 7.140 -6.630 7.927 228 HA ARG 37 HA ARG 37 9.793 -7.560 8.974 229 HB3 ARG 37 2HB ARG 37 8.552 -9.576 9.741 230 HG3 ARG 37 2HG ARG 37 7.376 -7.007 10.852 231 HD3 ARG 37 2HD ARG 37 7.949 -9.739 12.062 232 HE ARG 37 HE ARG 37 7.832 -8.673 14.026 233 HH11 ARG 37 1HH1 ARG 37 5.710 -6.810 11.849 234 HH12 ARG 37 2HH1 ARG 37 5.008 -5.886 13.126 235 HH21 ARG 37 1HH2 ARG 37 6.736 -7.500 15.737 236 HH22 ARG 37 2HH2 ARG 37 5.749 -6.159 15.302 237 H ILE 38 H ILE 38 8.545 -6.932 6.244 238 HA ILE 38 HA ILE 38 9.367 -9.442 4.835 239 HB ILE 38 HB ILE 38 6.884 -7.838 4.240 240 HG13 ILE 38 2HG1 ILE 38 5.453 -9.516 4.989 241 HG21 ILE 38 1HG2 ILE 38 7.920 -10.360 2.925 242 HG22 ILE 38 2HG2 ILE 38 6.285 -9.695 2.675 243 HG23 ILE 38 3HG2 ILE 38 7.696 -8.750 2.210 244 HD11 ILE 38 3HD1 ILE 38 6.158 -11.508 6.265 245 HD12 ILE 38 1HD1 ILE 38 6.601 -11.595 4.555 246 HD13 ILE 38 2HD1 ILE 38 7.838 -11.212 5.776 247 H ILE 39 H ILE 39 8.170 -6.084 4.286 248 HA ILE 39 HA ILE 39 9.816 -5.715 1.942 249 HB ILE 39 HB ILE 39 8.184 -3.722 3.581 250 HG13 ILE 39 2HG1 ILE 39 6.367 -3.975 2.026 251 HG21 ILE 39 1HG2 ILE 39 9.698 -2.521 2.109 252 HG22 ILE 39 2HG2 ILE 39 9.271 -3.553 0.753 253 HG23 ILE 39 3HG2 ILE 39 8.075 -2.423 1.437 254 HD11 ILE 39 3HD1 ILE 39 7.800 -6.401 0.863 255 HD12 ILE 39 1HD1 ILE 39 6.146 -5.886 0.519 256 HD13 ILE 39 2HD1 ILE 39 7.497 -4.879 -0.031 257 H GLY 40 H GLY 40 10.355 -5.274 5.399 258 HA2 GLY 40 1HA GLY 40 12.431 -4.651 6.387 259 HA3 GLY 40 2HA GLY 40 13.056 -4.326 4.794 260 H TRP 41 H TRP 41 10.130 -2.675 5.142 261 HA TRP 41 HA TRP 41 11.514 -0.179 4.914 262 HB3 TRP 41 2HB TRP 41 9.480 -0.935 3.653 263 HD1 TRP 41 HD TRP 41 8.528 -1.650 7.036 264 HE1 TRP 41 1HE TRP 41 6.036 -1.577 7.451 265 HE3 TRP 41 3HE TRP 41 7.108 0.716 2.727 266 HZ2 TRP 41 2HZ TRP 41 3.595 -0.887 5.904 267 HZ3 TRP 41 3HZ TRP 41 4.715 1.036 2.241 268 HH2 TRP 41 HH TRP 41 3.003 0.395 3.839 269 H GLY 42 H GLY 42 11.594 -1.429 7.659 270 HA2 GLY 42 1HA GLY 42 11.185 -0.991 9.901 271 HA3 GLY 42 2HA GLY 42 11.350 0.707 9.444 272 H THR 43 H THR 43 9.585 2.011 9.648 273 HA THR 43 HA THR 43 7.112 1.291 8.604 274 HB THR 43 HB THR 43 6.683 0.058 10.664 275 HG1 THR 43 1HG THR 43 4.834 1.417 11.404 276 HG21 THR 43 3HG2 THR 43 6.504 1.016 12.843 277 HG22 THR 43 1HG2 THR 43 7.041 2.608 12.252 278 HG23 THR 43 2HG2 THR 43 8.156 1.223 12.246 279 H GLY 44 H GLY 44 6.117 3.297 7.958 280 HA2 GLY 44 1HA GLY 44 5.605 5.578 8.395 281 HA3 GLY 44 2HA GLY 44 7.074 5.771 9.328 282 H ALA 45 H ALA 45 8.407 7.058 8.349 283 HA ALA 45 HA ALA 45 8.481 7.348 5.374 284 HB1 ALA 45 1HB ALA 45 9.383 9.615 5.877 285 HB2 ALA 45 2HB ALA 45 7.858 9.402 6.755 286 HB3 ALA 45 3HB ALA 45 9.362 9.251 7.610 287 H GLU 46 H GLU 46 10.572 7.533 8.319 288 HA GLU 46 HA GLU 46 12.968 7.612 6.891 289 HB3 GLU 46 2HB GLU 46 12.857 6.602 9.740 290 HG3 GLU 46 2HG GLU 46 13.971 9.050 9.794 291 H GLY 47 H GLY 47 11.114 4.877 8.147 292 HA2 GLY 47 1HA GLY 47 13.306 2.986 8.090 293 HA3 GLY 47 2HA GLY 47 11.589 2.611 8.225 294 H ALA 48 H ALA 48 10.978 4.128 5.756 295 HA ALA 48 HA ALA 48 11.601 2.072 3.764 296 HB1 ALA 48 1HB ALA 48 10.213 3.513 2.262 297 HB2 ALA 48 2HB ALA 48 9.366 3.083 3.763 298 HB3 ALA 48 3HB ALA 48 10.060 4.704 3.574 299 H ARG 49 H ARG 49 12.580 5.426 4.547 300 HA ARG 49 HA ARG 49 13.797 6.093 2.129 301 HB3 ARG 49 2HB ARG 49 14.580 6.921 4.953 302 HG3 ARG 49 2HG ARG 49 15.358 8.101 2.252 303 HD3 ARG 49 2HD ARG 49 15.278 9.202 5.037 304 HE ARG 49 HE ARG 49 17.111 10.415 4.935 305 HH11 ARG 49 1HH1 ARG 49 17.071 9.134 1.525 306 HH12 ARG 49 2HH1 ARG 49 18.787 9.249 1.448 307 HH21 ARG 49 1HH2 ARG 49 19.287 10.471 4.709 308 HH22 ARG 49 2HH2 ARG 49 20.099 9.982 3.281 309 H GLN 50 H GLN 50 15.556 4.641 4.987 310 HA GLN 50 HA GLN 50 17.954 4.758 3.406 311 HB3 GLN 50 2HB GLN 50 19.181 4.125 5.214 312 HG3 GLN 50 2HG GLN 50 18.380 5.231 7.186 313 HE21 GLN 50 1HE2 GLN 50 16.979 7.550 7.206 314 HE22 GLN 50 2HE2 GLN 50 17.647 8.669 6.008 315 H ARG 51 H ARG 51 15.439 2.529 3.331 316 HA ARG 51 HA ARG 51 17.267 0.375 2.385 317 HB3 ARG 51 2HB ARG 51 15.254 -1.157 2.514 318 HG3 ARG 51 2HG ARG 51 15.143 -1.134 5.056 319 HD3 ARG 51 2HD ARG 51 17.733 -1.294 5.400 320 HE ARG 51 HE ARG 51 16.057 -3.202 3.871 321 HH11 ARG 51 1HH1 ARG 51 18.974 -2.802 5.908 322 HH12 ARG 51 2HH1 ARG 51 18.926 -4.432 6.476 323 HH21 ARG 51 1HH2 ARG 51 16.171 -5.419 4.506 324 HH22 ARG 51 2HH2 ARG 51 17.237 -5.882 5.781 325 H LEU 52 H LEU 52 14.757 2.588 1.329 326 HA LEU 52 HA LEU 52 14.232 1.748 -1.278 327 HB3 LEU 52 2HB LEU 52 14.381 4.366 0.129 328 HG LEU 52 HG LEU 52 14.667 5.042 -2.189 329 HD11 LEU 52 1HD1 LEU 52 12.108 3.650 -2.890 330 HD12 LEU 52 2HD1 LEU 52 13.699 3.001 -3.296 331 HD13 LEU 52 3HD1 LEU 52 13.179 4.553 -3.957 332 HD21 LEU 52 3HD2 LEU 52 12.700 6.476 -2.365 333 HD22 LEU 52 1HD2 LEU 52 13.306 6.379 -0.710 334 HD23 LEU 52 2HD2 LEU 52 11.846 5.469 -1.168 335 H GLU 53 H GLU 53 16.646 4.323 -0.289 336 HA GLU 53 HA GLU 53 17.055 4.827 -3.052 337 HB3 GLU 53 2HB GLU 53 18.413 6.646 -2.425 338 HG3 GLU 53 2HG GLU 53 17.040 6.679 0.212 339 H ASN 54 H ASN 54 18.252 2.381 -1.454 340 HA ASN 54 HA ASN 54 20.591 1.869 -3.159 341 HB3 ASN 54 2HB ASN 54 21.587 2.891 -1.252 342 HD21 ASN 54 1HD2 ASN 54 18.939 0.670 0.019 343 HD22 ASN 54 2HD2 ASN 54 18.761 1.761 1.383 344 H ILE 55 H ILE 55 17.830 0.710 -2.990 345 HA ILE 55 HA ILE 55 17.890 -1.754 -1.575 346 HB ILE 55 HB ILE 55 15.970 -0.350 -2.533 347 HG13 ILE 55 2HG1 ILE 55 15.892 -2.763 -1.491 348 HG21 ILE 55 1HG2 ILE 55 16.465 -2.023 -5.022 349 HG22 ILE 55 2HG2 ILE 55 15.097 -0.953 -4.732 350 HG23 ILE 55 3HG2 ILE 55 16.739 -0.273 -4.880 351 HD11 ILE 55 3HD1 ILE 55 13.467 -2.705 -1.767 352 HD12 ILE 55 1HD1 ILE 55 14.114 -1.073 -1.548 353 HD13 ILE 55 2HD1 ILE 55 13.610 -1.630 -3.163 354 H GLN 56 H GLN 56 17.903 -3.973 -2.612 355 HA GLN 56 HA GLN 56 19.842 -4.165 -4.868 356 HB3 GLN 56 2HB GLN 56 20.878 -6.054 -3.604 357 HG3 GLN 56 2HG GLN 56 21.737 -4.978 -1.622 358 HE21 GLN 56 1HE2 GLN 56 21.684 -1.807 -2.403 359 HE22 GLN 56 2HE2 GLN 56 22.900 -1.801 -3.649 360 HA PRO 57 HA PRO 57 16.927 -6.905 -6.664 361 HB3 PRO 57 2HB PRO 57 18.365 -7.282 -8.387 362 HG3 PRO 57 2HG PRO 57 20.706 -7.460 -8.048 363 HD3 PRO 57 2HD PRO 57 20.239 -5.522 -6.711 364 H ALA 58 H ALA 58 19.003 -8.209 -4.110 365 HA ALA 58 HA ALA 58 17.473 -10.709 -3.918 366 HB1 ALA 58 1HB ALA 58 19.497 -9.405 -2.096 367 HB2 ALA 58 2HB ALA 58 18.801 -11.027 -1.867 368 HB3 ALA 58 3HB ALA 58 19.782 -10.690 -3.295 369 H ASP 59 H ASP 59 16.976 -7.404 -2.886 370 HA ASP 59 HA ASP 59 15.501 -8.056 -0.475 371 HB3 ASP 59 2HB ASP 59 15.488 -5.513 -2.149 372 H VAL 60 H VAL 60 14.750 -7.771 -3.916 373 HA VAL 60 HA VAL 60 11.841 -7.891 -3.397 374 HB VAL 60 HB VAL 60 12.452 -6.494 -5.173 375 HG11 VAL 60 1HG1 VAL 60 14.626 -7.073 -5.854 376 HG12 VAL 60 2HG1 VAL 60 14.147 -8.749 -6.233 377 HG13 VAL 60 3HG1 VAL 60 13.596 -7.456 -7.240 378 HG21 VAL 60 3HG2 VAL 60 11.552 -8.968 -6.645 379 HG22 VAL 60 1HG2 VAL 60 10.492 -8.094 -5.508 380 HG23 VAL 60 2HG2 VAL 60 11.156 -7.258 -6.914 381 H SER 61 H SER 61 14.436 -9.950 -4.662 382 HA SER 61 HA SER 61 12.946 -12.405 -4.793 383 HB3 SER 61 2HB SER 61 15.370 -13.285 -4.935 384 HG SER 61 HG SER 61 14.460 -11.260 -6.778 385 H MET 62 H MET 62 12.817 -10.972 -2.131 386 HA MET 62 HA MET 62 13.243 -13.444 -0.568 387 HB3 MET 62 2HB MET 62 14.958 -11.860 0.129 388 HG3 MET 62 2HG MET 62 12.695 -10.271 1.379 389 HE1 MET 62 3HE MET 62 15.196 -11.652 2.984 390 HE2 MET 62 1HE MET 62 15.545 -10.271 4.054 391 HE3 MET 62 2HE MET 62 13.859 -10.690 3.655 392 H ILE 63 H ILE 63 11.428 -10.384 -1.086 393 HA ILE 63 HA ILE 63 9.261 -10.884 0.640 394 HB ILE 63 HB ILE 63 9.609 -9.304 -1.951 395 HG13 ILE 63 2HG1 ILE 63 10.965 -8.696 0.182 396 HG21 ILE 63 1HG2 ILE 63 7.239 -9.234 -0.039 397 HG22 ILE 63 2HG2 ILE 63 7.552 -8.014 -1.291 398 HG23 ILE 63 3HG2 ILE 63 7.237 -9.673 -1.756 399 HD11 ILE 63 3HD1 ILE 63 10.713 -6.322 -0.128 400 HD12 ILE 63 1HD1 ILE 63 10.635 -7.119 -1.710 401 HD13 ILE 63 2HD1 ILE 63 9.154 -6.546 -0.946 402 H LYS 64 H LYS 64 9.847 -11.761 -2.730 403 HA LYS 64 HA LYS 64 7.300 -12.800 -3.432 404 HB3 LYS 64 2HB LYS 64 8.669 -14.263 -5.032 405 HG3 LYS 64 2HG LYS 64 8.724 -11.282 -4.812 406 HD3 LYS 64 2HD LYS 64 11.014 -12.014 -5.673 407 HE3 LYS 64 2HE LYS 64 9.816 -13.602 -7.432 408 HZ1 LYS 64 3HZ LYS 64 9.368 -12.639 -9.428 409 HZ2 LYS 64 1HZ LYS 64 10.182 -11.257 -9.171 410 HZ3 LYS 64 2HZ LYS 64 8.712 -11.508 -8.462 411 H LYS 65 H LYS 65 9.893 -14.288 -1.528 412 HA LYS 65 HA LYS 65 8.693 -16.948 -1.634 413 HB3 LYS 65 2HB LYS 65 10.514 -17.507 -0.064 414 HG3 LYS 65 2HG LYS 65 10.753 -16.837 -2.797 415 HD3 LYS 65 2HD LYS 65 12.108 -14.829 -1.891 416 HE3 LYS 65 2HE LYS 65 13.294 -16.455 -0.172 417 HZ1 LYS 65 3HZ LYS 65 14.951 -16.854 -2.592 418 HZ2 LYS 65 1HZ LYS 65 14.142 -18.063 -1.808 419 HZ3 LYS 65 2HZ LYS 65 15.396 -17.277 -1.097 420 H GLN 66 H GLN 66 7.990 -14.093 0.188 421 HA GLN 66 HA GLN 66 6.732 -15.737 2.314 422 HB3 GLN 66 2HB GLN 66 6.291 -13.424 3.289 423 HG3 GLN 66 2HG GLN 66 7.985 -15.096 4.168 424 HE21 GLN 66 1HE2 GLN 66 10.079 -12.306 3.629 425 HE22 GLN 66 2HE2 GLN 66 11.177 -13.120 2.500 426 H GLY 67 H GLY 67 5.835 -16.156 -0.184 427 HA2 GLY 67 1HA GLY 67 3.864 -16.428 -1.229 428 HA3 GLY 67 2HA GLY 67 3.175 -15.979 0.340 429 H THR 68 H THR 68 5.036 -13.895 -1.848 430 HA THR 68 HA THR 68 2.679 -12.099 -1.921 431 HB THR 68 HB THR 68 5.649 -11.466 -1.852 432 HG1 THR 68 1HG THR 68 4.631 -12.224 0.142 433 HG21 THR 68 3HG2 THR 68 4.871 -9.123 -1.380 434 HG22 THR 68 1HG2 THR 68 3.227 -9.614 -1.830 435 HG23 THR 68 2HG2 THR 68 4.554 -9.654 -3.024 436 H THR 69 H THR 69 2.744 -10.566 -3.949 437 HA THR 69 HA THR 69 3.664 -11.955 -6.384 438 HB THR 69 HB THR 69 1.439 -11.441 -7.292 439 HG1 THR 69 1HG THR 69 -0.269 -11.032 -5.700 440 HG21 THR 69 3HG2 THR 69 0.235 -13.339 -6.317 441 HG22 THR 69 1HG2 THR 69 1.328 -13.357 -4.921 442 HG23 THR 69 2HG2 THR 69 1.958 -13.711 -6.551 443 H LEU 70 H LEU 70 3.406 -10.503 -8.279 444 HA LEU 70 HA LEU 70 4.333 -7.838 -7.814 445 HB3 LEU 70 2HB LEU 70 3.187 -9.125 -10.342 446 HG LEU 70 HG LEU 70 3.432 -6.737 -10.743 447 HD11 LEU 70 1HD1 LEU 70 4.850 -5.947 -8.957 448 HD12 LEU 70 2HD1 LEU 70 5.718 -5.659 -10.465 449 HD13 LEU 70 3HD1 LEU 70 6.168 -7.037 -9.434 450 HD21 LEU 70 3HD2 LEU 70 4.287 -8.372 -12.441 451 HD22 LEU 70 1HD2 LEU 70 5.916 -8.193 -11.761 452 HD23 LEU 70 2HD2 LEU 70 5.109 -6.805 -12.513 453 H GLU 71 H GLU 71 1.154 -9.263 -8.228 454 HA GLU 71 HA GLU 71 -0.403 -6.876 -8.662 455 HB3 GLU 71 2HB GLU 71 -2.059 -8.404 -7.229 456 HG3 GLU 71 2HG GLU 71 -1.633 -10.258 -9.339 457 H MET 72 H MET 72 0.651 -8.528 -5.603 458 HA MET 72 HA MET 72 -0.669 -6.574 -3.908 459 HB3 MET 72 2HB MET 72 1.734 -7.685 -2.695 460 HG3 MET 72 2HG MET 72 -0.514 -7.018 -1.659 461 HE1 MET 72 3HE MET 72 -1.788 -11.443 -2.146 462 HE2 MET 72 1HE MET 72 -0.416 -10.852 -3.103 463 HE3 MET 72 2HE MET 72 -0.335 -10.810 -1.340 464 H ILE 73 H ILE 73 2.559 -7.061 -5.268 465 HA ILE 73 HA ILE 73 3.625 -4.564 -4.251 466 HB ILE 73 HB ILE 73 4.697 -6.829 -5.974 467 HG13 ILE 73 2HG1 ILE 73 5.879 -7.564 -3.992 468 HG21 ILE 73 1HG2 ILE 73 6.065 -4.290 -5.223 469 HG22 ILE 73 2HG2 ILE 73 6.995 -5.815 -5.226 470 HG23 ILE 73 3HG2 ILE 73 6.169 -5.252 -6.676 471 HD11 ILE 73 3HD1 ILE 73 6.181 -5.479 -2.701 472 HD12 ILE 73 1HD1 ILE 73 4.411 -5.415 -2.424 473 HD13 ILE 73 2HD1 ILE 73 5.375 -6.739 -1.756 474 H THR 74 H THR 74 1.300 -4.300 -5.906 475 HA THR 74 HA THR 74 2.490 -2.041 -7.310 476 HB THR 74 HB THR 74 0.562 -2.474 -9.101 477 HG1 THR 74 1HG THR 74 1.268 -5.120 -8.558 478 HG21 THR 74 3HG2 THR 74 2.082 -3.378 -10.704 479 HG22 THR 74 1HG2 THR 74 3.129 -4.061 -9.437 480 HG23 THR 74 2HG2 THR 74 3.015 -2.302 -9.653 481 H ALA 75 H ALA 75 -0.238 -3.769 -5.870 482 HA ALA 75 HA ALA 75 -1.948 -1.400 -5.849 483 HB1 ALA 75 1HB ALA 75 -3.390 -2.690 -4.409 484 HB2 ALA 75 2HB ALA 75 -2.872 -3.657 -5.795 485 HB3 ALA 75 3HB ALA 75 -2.131 -3.936 -4.189 486 H TRP 76 H TRP 76 0.808 -2.222 -4.033 487 HA TRP 76 HA TRP 76 -0.018 -0.406 -1.821 488 HB3 TRP 76 2HB TRP 76 2.129 -1.446 -0.794 489 HD1 TRP 76 HD TRP 76 0.320 -4.522 -1.567 490 HE1 TRP 76 1HE TRP 76 -1.519 -5.000 0.151 491 HE3 TRP 76 3HE TRP 76 0.011 0.070 0.634 492 HZ2 TRP 76 2HZ TRP 76 -2.685 -3.688 2.460 493 HZ3 TRP 76 3HZ TRP 76 -1.473 0.439 2.580 494 HH2 TRP 76 HH TRP 76 -2.794 -1.480 3.533 495 H GLN 77 H GLN 77 2.130 -0.267 -4.674 496 HA GLN 77 HA GLN 77 3.613 1.915 -3.484 497 HB3 GLN 77 2HB GLN 77 4.417 0.384 -5.256 498 HG3 GLN 77 2HG GLN 77 2.793 1.842 -7.275 499 HE21 GLN 77 1HE2 GLN 77 4.763 2.171 -8.668 500 HE22 GLN 77 2HE2 GLN 77 5.562 0.678 -9.265 501 H ASP 78 H ASP 78 0.983 1.359 -5.916 502 HA ASP 78 HA ASP 78 0.909 4.040 -6.554 503 HB3 ASP 78 2HB ASP 78 -1.604 2.914 -7.280 504 H PHE 79 H PHE 79 -0.735 2.264 -4.191 505 HA PHE 79 HA PHE 79 -2.901 3.959 -3.442 506 HB3 PHE 79 2HB PHE 79 -1.070 2.201 -1.752 507 HD1 PHE 79 2HD PHE 79 -1.128 3.698 0.237 508 HD2 PHE 79 1HD PHE 79 -4.744 2.263 -1.603 509 HE1 PHE 79 2HE PHE 79 -2.419 4.425 2.212 510 HE2 PHE 79 1HE PHE 79 -6.018 2.871 0.418 511 HZ PHE 79 HZ PHE 79 -4.876 4.003 2.330 512 H TYR 80 H TYR 80 0.582 4.173 -2.709 513 HA TYR 80 HA TYR 80 0.162 6.702 -1.226 514 HB3 TYR 80 2HB TYR 80 2.529 6.483 -0.619 515 HD1 TYR 80 1HD TYR 80 0.357 6.661 1.071 516 HD2 TYR 80 2HD TYR 80 2.462 3.088 -0.109 517 HE1 TYR 80 1HE TYR 80 -0.375 5.562 3.158 518 HE2 TYR 80 2HE TYR 80 1.826 2.021 2.060 519 HH TYR 80 HH TYR 80 -0.672 3.105 4.083 520 H GLU 81 H GLU 81 1.606 5.455 -4.265 521 HA GLU 81 HA GLU 81 3.012 7.863 -4.930 522 HB3 GLU 81 2HB GLU 81 2.937 7.115 -7.274 523 HG3 GLU 81 2HG GLU 81 3.564 4.717 -5.510 524 H GLN 82 H GLN 82 -0.435 6.975 -5.379 525 HA GLN 82 HA GLN 82 -1.077 9.413 -6.750 526 HB3 GLN 82 2HB GLN 82 -3.424 8.762 -5.627 527 HG3 GLN 82 2HG GLN 82 -2.679 8.628 -8.069 528 HE21 GLN 82 1HE2 GLN 82 -0.372 7.592 -8.354 529 HE22 GLN 82 2HE2 GLN 82 -0.348 5.852 -8.519 530 H GLU 83 H GLU 83 -0.222 8.947 -3.376 531 HA GLU 83 HA GLU 83 -1.833 11.223 -2.493 532 HB3 GLU 83 2HB GLU 83 -0.728 10.988 -0.374 533 HG3 GLU 83 2HG GLU 83 -0.927 8.574 0.183 534 H GLN 84 H GLN 84 1.430 10.628 -3.785 535 HA GLN 84 HA GLN 84 2.507 13.189 -3.141 536 HB3 GLN 84 2HB GLN 84 3.823 12.727 -5.433 537 HG3 GLN 84 2HG GLN 84 4.790 12.633 -3.151 538 HE21 GLN 84 1HE2 GLN 84 4.368 9.241 -4.165 539 HE22 GLN 84 2HE2 GLN 84 3.501 8.760 -2.695 540 H GLN 85 H GLN 85 0.390 12.140 -5.826 541 HA GLN 85 HA GLN 85 0.839 14.411 -7.381 542 HB3 GLN 85 2HB GLN 85 -0.492 12.222 -7.933 543 HG3 GLN 85 2HG GLN 85 -2.795 14.186 -7.570 544 HE21 GLN 85 1HE2 GLN 85 -3.776 10.981 -7.288 545 HE22 GLN 85 2HE2 GLN 85 -4.112 10.625 -8.972 546 H ARG 86 H ARG 86 -1.346 13.954 -4.661 547 HA ARG 86 HA ARG 86 -2.475 16.668 -4.973 548 HB3 ARG 86 2HB ARG 86 -4.024 14.825 -4.668 549 HG3 ARG 86 2HG ARG 86 -2.594 14.356 -2.012 550 HD3 ARG 86 2HD ARG 86 -5.416 14.158 -2.601 551 HE ARG 86 HE ARG 86 -4.071 11.580 -1.784 552 HH11 ARG 86 1HH1 ARG 86 -7.004 13.174 -2.979 553 HH12 ARG 86 2HH1 ARG 86 -7.674 11.751 -3.674 554 HH21 ARG 86 1HH2 ARG 86 -4.955 9.763 -2.423 555 HH22 ARG 86 2HH2 ARG 86 -6.531 9.663 -3.228 556 H ASN 87 H ASN 87 -0.373 14.883 -2.661 557 HA ASN 87 HA ASN 87 0.267 17.478 -1.477 558 HB3 ASN 87 2HB ASN 87 -1.019 17.088 0.274 559 HD21 ASN 87 1HD2 ASN 87 0.247 13.692 0.061 560 HD22 ASN 87 2HD2 ASN 87 -1.265 13.003 0.626 561 H GLU 88 H GLU 88 2.223 17.655 -2.271 562 HA GLU 88 HA GLU 88 4.179 15.564 -2.393 563 HB3 GLU 88 2HB GLU 88 4.266 17.706 -3.673 564 HG3 GLU 88 2HG GLU 88 5.256 18.969 -1.078 565 H ASN 89 H ASN 89 3.088 17.676 0.131 566 HA ASN 89 HA ASN 89 5.541 17.817 1.590 567 HB3 ASN 89 2HB ASN 89 3.374 18.784 3.204 568 HD21 ASN 89 1HD2 ASN 89 4.390 20.582 0.311 569 HD22 ASN 89 2HD2 ASN 89 5.724 21.389 1.053 570 H ASN 90 H ASN 90 4.255 15.106 1.325 571 HA ASN 90 HA ASN 90 3.873 14.357 4.194 572 HB3 ASN 90 2HB ASN 90 2.373 13.383 1.741 573 HD21 ASN 90 1HD2 ASN 90 3.165 11.289 3.031 574 HD22 ASN 90 2HD2 ASN 90 2.095 10.764 4.386 575 HA PRO 91 HA PRO 91 7.536 12.425 2.197 576 HB3 PRO 91 2HB PRO 91 9.019 13.486 3.602 577 HG3 PRO 91 2HG PRO 91 8.242 14.344 5.686 578 HD3 PRO 91 2HD PRO 91 6.600 15.040 4.184 579 H THR 92 H THR 92 5.789 11.196 5.077 580 HA THR 92 HA THR 92 6.717 8.641 5.206 581 HB THR 92 HB THR 92 3.864 9.483 5.737 582 HG1 THR 92 1HG THR 92 4.582 10.633 7.510 583 HG21 THR 92 3HG2 THR 92 5.771 8.022 7.580 584 HG22 THR 92 1HG2 THR 92 4.855 7.153 6.332 585 HG23 THR 92 2HG2 THR 92 4.004 8.049 7.616 586 H ALA 93 H ALA 93 3.706 9.593 3.475 587 HA ALA 93 HA ALA 93 3.355 7.226 1.968 588 HB1 ALA 93 1HB ALA 93 2.143 8.668 0.373 589 HB2 ALA 93 2HB ALA 93 1.673 9.025 2.044 590 HB3 ALA 93 3HB ALA 93 2.776 10.111 1.167 591 H LYS 94 H LYS 94 5.188 10.222 1.095 592 HA LYS 94 HA LYS 94 5.958 9.515 -1.403 593 HB3 LYS 94 2HB LYS 94 7.745 11.101 0.474 594 HG3 LYS 94 2HG LYS 94 7.257 11.085 -2.489 595 HD3 LYS 94 2HD LYS 94 6.571 13.335 -1.852 596 HE3 LYS 94 2HE LYS 94 9.317 13.493 -0.528 597 HZ1 LYS 94 3HZ LYS 94 7.329 15.662 -0.744 598 HZ2 LYS 94 1HZ LYS 94 8.709 15.585 -1.653 599 HZ3 LYS 94 2HZ LYS 94 8.800 15.700 -0.008 600 H TYR 95 H TYR 95 8.045 8.791 1.445 601 HA TYR 95 HA TYR 95 9.986 7.395 -0.189 602 HB3 TYR 95 2HB TYR 95 10.717 6.394 2.014 603 HD1 TYR 95 2HD TYR 95 12.370 7.867 0.592 604 HD2 TYR 95 1HD TYR 95 9.801 9.352 3.713 605 HE1 TYR 95 2HE TYR 95 13.817 9.821 0.821 606 HE2 TYR 95 1HE TYR 95 11.260 11.312 4.005 607 HH TYR 95 HH TYR 95 13.389 12.113 3.548 608 H ARG 96 H ARG 96 7.214 6.069 1.879 609 HA ARG 96 HA ARG 96 7.992 3.454 1.144 610 HB3 ARG 96 2HB ARG 96 6.767 3.950 3.164 611 HG3 ARG 96 2HG ARG 96 4.194 4.008 1.589 612 HD3 ARG 96 2HD ARG 96 5.042 4.652 4.448 613 HE ARG 96 HE ARG 96 2.618 5.446 3.048 614 HH11 ARG 96 1HH1 ARG 96 3.769 4.475 6.291 615 HH12 ARG 96 2HH1 ARG 96 2.709 5.583 7.116 616 HH21 ARG 96 1HH2 ARG 96 1.245 6.925 4.202 617 HH22 ARG 96 2HH2 ARG 96 1.265 6.981 5.911 618 H ALA 97 H ALA 97 5.774 5.713 -0.573 619 HA ALA 97 HA ALA 97 4.721 3.889 -2.465 620 HB1 ALA 97 1HB ALA 97 5.542 6.726 -3.173 621 HB2 ALA 97 2HB ALA 97 4.087 5.789 -3.559 622 HB3 ALA 97 3HB ALA 97 4.280 6.478 -1.973 623 H ARG 98 H ARG 98 7.558 6.060 -2.637 624 HA ARG 98 HA ARG 98 8.657 5.160 -5.019 625 HB3 ARG 98 2HB ARG 98 10.885 6.005 -3.785 626 HG3 ARG 98 2HG ARG 98 8.436 7.735 -4.267 627 HD3 ARG 98 2HD ARG 98 11.347 8.558 -4.072 628 HE ARG 98 HE ARG 98 9.591 9.490 -5.957 629 HH11 ARG 98 1HH1 ARG 98 11.096 10.998 -3.120 630 HH12 ARG 98 2HH1 ARG 98 11.035 12.611 -3.729 631 HH21 ARG 98 1HH2 ARG 98 9.411 11.642 -6.767 632 HH22 ARG 98 2HH2 ARG 98 9.885 13.000 -5.797 633 H LEU 99 H LEU 99 9.164 3.863 -1.751 634 HA LEU 99 HA LEU 99 11.102 1.897 -2.439 635 HB3 LEU 99 2HB LEU 99 9.074 2.008 -0.194 636 HG LEU 99 HG LEU 99 9.704 -0.311 -0.363 637 HD11 LEU 99 1HD1 LEU 99 12.605 0.628 -0.365 638 HD12 LEU 99 2HD1 LEU 99 11.764 -0.099 -1.760 639 HD13 LEU 99 3HD1 LEU 99 12.022 -1.041 -0.320 640 HD21 LEU 99 3HD2 LEU 99 11.379 1.144 1.723 641 HD22 LEU 99 1HD2 LEU 99 10.899 -0.556 1.782 642 HD23 LEU 99 2HD2 LEU 99 9.649 0.713 1.874 643 H MET 100 H MET 100 7.571 1.444 -1.918 644 HA MET 100 HA MET 100 7.430 -1.231 -2.628 645 HB3 MET 100 2HB MET 100 5.024 -0.626 -3.292 646 HG3 MET 100 2HG MET 100 4.214 -0.348 -1.210 647 HE1 MET 100 3HE MET 100 4.230 -2.849 -1.126 648 HE2 MET 100 1HE MET 100 5.079 -3.676 0.182 649 HE3 MET 100 2HE MET 100 3.953 -2.361 0.562 650 H LYS 101 H LYS 101 6.729 1.485 -4.904 651 HA LYS 101 HA LYS 101 6.729 0.280 -7.313 652 HB3 LYS 101 2HB LYS 101 8.268 2.780 -6.489 653 HG3 LYS 101 2HG LYS 101 7.731 3.865 -8.451 654 HD3 LYS 101 2HD LYS 101 8.687 1.358 -9.797 655 HE3 LYS 101 2HE LYS 101 8.722 3.483 -11.045 656 HZ1 LYS 101 3HZ LYS 101 10.401 4.400 -8.815 657 HZ2 LYS 101 1HZ LYS 101 9.037 5.114 -9.408 658 HZ3 LYS 101 2HZ LYS 101 10.412 5.117 -10.318 659 H LYS 102 H LYS 102 9.798 1.088 -5.673 660 HA LYS 102 HA LYS 102 11.489 0.150 -7.729 661 HB3 LYS 102 2HB LYS 102 12.480 -0.308 -4.963 662 HG3 LYS 102 2HG LYS 102 13.351 1.020 -7.542 663 HD3 LYS 102 2HD LYS 102 14.705 1.406 -4.862 664 HE3 LYS 102 2HE LYS 102 16.215 0.801 -6.753 665 HZ1 LYS 102 3HZ LYS 102 15.089 1.773 -8.600 666 HZ2 LYS 102 1HZ LYS 102 16.579 2.406 -8.470 667 HZ3 LYS 102 2HZ LYS 102 15.283 3.309 -8.018 668 H ILE 103 H ILE 103 9.675 -1.742 -5.405 669 HA ILE 103 HA ILE 103 11.260 -4.122 -5.676 670 HB ILE 103 HB ILE 103 8.368 -3.896 -4.763 671 HG13 ILE 103 2HG1 ILE 103 9.624 -2.217 -3.537 672 HG21 ILE 103 1HG2 ILE 103 8.835 -5.891 -3.474 673 HG22 ILE 103 2HG2 ILE 103 9.333 -6.165 -5.151 674 HG23 ILE 103 3HG2 ILE 103 10.556 -5.817 -3.916 675 HD11 ILE 103 3HD1 ILE 103 9.469 -4.462 -1.596 676 HD12 ILE 103 1HD1 ILE 103 9.216 -2.728 -1.351 677 HD13 ILE 103 2HD1 ILE 103 8.008 -3.671 -2.247 678 H ALA 104 H ALA 104 8.171 -2.902 -7.151 679 HA ALA 104 HA ALA 104 7.740 -5.072 -8.952 680 HB1 ALA 104 1HB ALA 104 6.065 -3.286 -8.486 681 HB2 ALA 104 2HB ALA 104 7.096 -2.104 -9.311 682 HB3 ALA 104 3HB ALA 104 6.391 -3.439 -10.220 683 H ASP 105 H ASP 105 9.826 -2.340 -8.984 684 HA ASP 105 HA ASP 105 10.524 -2.170 -11.746 685 HB3 ASP 105 2HB ASP 105 12.483 -1.282 -9.641 686 H LEU 106 H LEU 106 11.415 -4.456 -9.367 687 HA LEU 106 HA LEU 106 13.791 -5.458 -10.857 688 HB3 LEU 106 2HB LEU 106 14.624 -6.113 -8.593 689 HG LEU 106 HG LEU 106 14.126 -3.129 -8.869 690 HD11 LEU 106 1HD1 LEU 106 14.304 -3.682 -6.479 691 HD12 LEU 106 2HD1 LEU 106 15.763 -2.860 -7.045 692 HD13 LEU 106 3HD1 LEU 106 15.774 -4.624 -6.774 693 HD21 LEU 106 3HD2 LEU 106 15.693 -4.172 -10.486 694 HD22 LEU 106 1HD2 LEU 106 16.625 -4.853 -9.145 695 HD23 LEU 106 2HD2 LEU 106 16.521 -3.083 -9.371 696 H TRP 107 H TRP 107 10.693 -6.111 -10.519 697 HA TRP 107 HA TRP 107 10.637 -8.471 -9.095 698 HB3 TRP 107 2HB TRP 107 8.684 -7.946 -11.374 699 HD1 TRP 107 HD TRP 107 7.351 -10.231 -11.273 700 HE1 TRP 107 1HE TRP 107 6.091 -11.509 -9.463 701 HE3 TRP 107 3HE TRP 107 8.667 -7.346 -7.279 702 HZ2 TRP 107 2HZ TRP 107 5.769 -11.354 -6.591 703 HZ3 TRP 107 3HZ TRP 107 7.880 -7.965 -4.983 704 HH2 TRP 107 HH TRP 107 6.385 -9.915 -4.646 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -35.388 3.183 7.181 2 HA2 GLY 1 1HA GLY 1 -33.084 4.729 6.094 3 HA3 GLY 1 2HA GLY 1 -33.953 5.156 7.587 4 H THR 2 H THR 2 -31.358 4.841 8.135 5 HA THR 2 HA THR 2 -31.428 2.502 9.810 6 HB THR 2 HB THR 2 -30.020 1.637 8.055 7 HG1 THR 2 1HG THR 2 -28.010 1.534 9.240 8 HG21 THR 2 3HG2 THR 2 -29.386 3.679 6.825 9 HG22 THR 2 1HG2 THR 2 -27.969 2.732 7.257 10 HG23 THR 2 2HG2 THR 2 -28.362 4.187 8.172 11 H ASP 3 H ASP 3 -30.412 3.112 11.817 12 HA ASP 3 HA ASP 3 -28.880 5.547 11.917 13 HB3 ASP 3 2HB ASP 3 -31.271 5.329 13.797 14 H PHE 4 H PHE 4 -27.962 3.203 11.792 15 HA PHE 4 HA PHE 4 -27.492 2.101 14.524 16 HB3 PHE 4 2HB PHE 4 -27.512 -0.106 13.558 17 HD1 PHE 4 1HD PHE 4 -29.661 1.312 15.021 18 HD2 PHE 4 2HD PHE 4 -29.598 -0.144 10.954 19 HE1 PHE 4 1HE PHE 4 -32.121 1.222 15.009 20 HE2 PHE 4 2HE PHE 4 -32.065 -0.246 10.958 21 HZ PHE 4 HZ PHE 4 -33.344 0.446 12.984 22 H GLY 5 H GLY 5 -25.450 0.583 14.369 23 HA2 GLY 5 1HA GLY 5 -23.203 2.276 13.990 24 HA3 GLY 5 2HA GLY 5 -23.165 0.534 14.308 25 H THR 6 H THR 6 -23.438 -0.925 12.421 26 HA THR 6 HA THR 6 -22.717 0.293 9.814 27 HB THR 6 HB THR 6 -20.733 -0.178 11.340 28 HG1 THR 6 1HG THR 6 -20.649 -1.489 8.856 29 HG21 THR 6 3HG2 THR 6 -21.470 -2.475 12.096 30 HG22 THR 6 1HG2 THR 6 -19.808 -2.373 11.476 31 HG23 THR 6 2HG2 THR 6 -21.099 -3.059 10.471 32 H THR 7 H THR 7 -25.062 -1.332 11.101 33 HA THR 7 HA THR 7 -24.724 -4.020 10.295 34 HB THR 7 HB THR 7 -26.010 -2.999 12.253 35 HG1 THR 7 1HG THR 7 -26.073 -5.170 11.751 36 HG21 THR 7 3HG2 THR 7 -28.336 -2.480 12.020 37 HG22 THR 7 1HG2 THR 7 -28.330 -2.881 10.290 38 HG23 THR 7 2HG2 THR 7 -27.451 -1.445 10.869 39 H ASN 8 H ASN 8 -25.521 -1.356 8.351 40 HA ASN 8 HA ASN 8 -26.548 -3.224 6.297 41 HB3 ASN 8 2HB ASN 8 -27.728 -0.458 6.540 42 HD21 ASN 8 1HD2 ASN 8 -27.440 -0.626 4.120 43 HD22 ASN 8 2HD2 ASN 8 -28.557 -1.654 3.221 44 H ASN 9 H ASN 9 -24.219 -3.226 5.890 45 HA ASN 9 HA ASN 9 -23.567 -1.085 3.915 46 HB3 ASN 9 2HB ASN 9 -21.582 -2.332 5.856 47 HD21 ASN 9 1HD2 ASN 9 -21.187 -1.980 2.716 48 HD22 ASN 9 2HD2 ASN 9 -19.935 -0.817 2.623 49 H PHE 10 H PHE 10 -24.507 -2.561 2.399 50 HA PHE 10 HA PHE 10 -23.374 -5.168 1.814 51 HB3 PHE 10 2HB PHE 10 -24.290 -4.601 -0.503 52 HD1 PHE 10 1HD PHE 10 -26.492 -3.182 2.241 53 HD2 PHE 10 2HD PHE 10 -25.715 -6.449 -0.479 54 HE1 PHE 10 1HE PHE 10 -28.621 -4.240 2.887 55 HE2 PHE 10 2HE PHE 10 -27.789 -7.541 0.256 56 HZ PHE 10 HZ PHE 10 -29.250 -6.450 1.959 57 H VAL 11 H VAL 11 -21.883 -5.548 -0.088 58 HA VAL 11 HA VAL 11 -20.027 -3.280 -0.579 59 HB VAL 11 HB VAL 11 -18.144 -4.852 -0.242 60 HG11 VAL 11 1HG1 VAL 11 -18.049 -4.589 2.124 61 HG12 VAL 11 2HG1 VAL 11 -18.925 -3.203 1.483 62 HG13 VAL 11 3HG1 VAL 11 -19.816 -4.526 2.269 63 HG21 VAL 11 3HG2 VAL 11 -18.404 -6.889 1.054 64 HG22 VAL 11 1HG2 VAL 11 -20.167 -6.699 1.088 65 HG23 VAL 11 2HG2 VAL 11 -19.326 -7.020 -0.449 66 H SER 12 H SER 12 -22.024 -3.855 -2.260 67 HA SER 12 HA SER 12 -21.656 -5.837 -4.182 68 HB3 SER 12 2HB SER 12 -23.448 -4.771 -5.288 69 HG SER 12 HG SER 12 -23.941 -3.358 -2.937 70 HA PRO 13 HA PRO 13 -18.666 -3.848 -7.003 71 HB3 PRO 13 2HB PRO 13 -18.587 -5.734 -8.257 72 HG3 PRO 13 2HG PRO 13 -20.510 -7.099 -8.580 73 HD3 PRO 13 2HD PRO 13 -20.592 -6.786 -6.258 74 H ASN 14 H ASN 14 -19.633 -1.773 -6.405 75 HA ASN 14 HA ASN 14 -20.241 -0.273 -8.741 76 HB3 ASN 14 2HB ASN 14 -22.590 -0.146 -6.829 77 HD21 ASN 14 1HD2 ASN 14 -22.841 -0.650 -10.278 78 HD22 ASN 14 2HD2 ASN 14 -23.182 1.020 -10.701 79 H LEU 15 H LEU 15 -18.592 1.154 -8.078 80 HA LEU 15 HA LEU 15 -19.220 2.859 -5.701 81 HB3 LEU 15 2HB LEU 15 -16.458 2.097 -6.621 82 HG LEU 15 HG LEU 15 -17.002 4.301 -5.276 83 HD11 LEU 15 1HD1 LEU 15 -18.452 3.196 -3.575 84 HD12 LEU 15 2HD1 LEU 15 -17.062 4.021 -2.850 85 HD13 LEU 15 3HD1 LEU 15 -17.057 2.253 -3.025 86 HD21 LEU 15 3HD2 LEU 15 -14.881 4.105 -4.047 87 HD22 LEU 15 1HD2 LEU 15 -14.740 3.515 -5.709 88 HD23 LEU 15 2HD2 LEU 15 -14.859 2.353 -4.359 89 H GLN 16 H GLN 16 -20.372 4.218 -7.210 90 HA GLN 16 HA GLN 16 -18.681 5.646 -9.191 91 HB3 GLN 16 2HB GLN 16 -21.614 6.188 -8.734 92 HG3 GLN 16 2HG GLN 16 -20.119 7.564 -10.343 93 HE21 GLN 16 1HE2 GLN 16 -21.574 5.206 -12.516 94 HE22 GLN 16 2HE2 GLN 16 -20.082 4.748 -13.341 95 H LEU 17 H LEU 17 -17.682 6.044 -6.753 96 HA LEU 17 HA LEU 17 -17.872 8.857 -6.389 97 HB3 LEU 17 2HB LEU 17 -19.829 8.440 -5.041 98 HG LEU 17 HG LEU 17 -18.183 6.617 -3.214 99 HD11 LEU 17 1HD1 LEU 17 -20.183 6.751 -1.779 100 HD12 LEU 17 2HD1 LEU 17 -20.887 7.955 -2.858 101 HD13 LEU 17 3HD1 LEU 17 -19.386 8.317 -1.971 102 HD21 LEU 17 3HD2 LEU 17 -20.789 6.124 -4.734 103 HD22 LEU 17 1HD2 LEU 17 -20.163 5.088 -3.440 104 HD23 LEU 17 2HD2 LEU 17 -19.258 5.243 -4.931 105 H LYS 18 H LYS 18 -15.759 9.344 -6.180 106 HA LYS 18 HA LYS 18 -13.895 7.327 -5.044 107 HB3 LYS 18 2HB LYS 18 -12.117 8.780 -5.673 108 HG3 LYS 18 2HG LYS 18 -13.609 7.459 -7.553 109 HD3 LYS 18 2HD LYS 18 -13.487 10.420 -8.301 110 HE3 LYS 18 2HE LYS 18 -14.008 8.123 -10.224 111 HZ1 LYS 18 3HZ LYS 18 -13.501 9.978 -11.800 112 HZ2 LYS 18 1HZ LYS 18 -13.417 11.002 -10.564 113 HZ3 LYS 18 2HZ LYS 18 -14.865 10.263 -10.893 114 H GLN 19 H GLN 19 -15.148 7.458 -2.976 115 HA GLN 19 HA GLN 19 -14.797 9.873 -1.386 116 HB3 GLN 19 2HB GLN 19 -16.760 8.531 -1.001 117 HG3 GLN 19 2HG GLN 19 -14.956 6.246 -0.089 118 HE21 GLN 19 1HE2 GLN 19 -18.242 5.757 -1.308 119 HE22 GLN 19 2HE2 GLN 19 -19.030 5.751 0.246 120 H ASN 20 H ASN 20 -13.713 9.451 0.750 121 HA ASN 20 HA ASN 20 -10.941 8.678 0.280 122 HB3 ASN 20 2HB ASN 20 -12.229 9.741 2.799 123 HD21 ASN 20 1HD2 ASN 20 -9.385 8.060 1.385 124 HD22 ASN 20 2HD2 ASN 20 -8.337 8.471 2.730 125 H VAL 21 H VAL 21 -10.971 6.553 0.015 126 HA VAL 21 HA VAL 21 -11.405 4.875 2.425 127 HB VAL 21 HB VAL 21 -13.361 4.643 1.143 128 HG11 VAL 21 1HG1 VAL 21 -11.697 3.864 -1.281 129 HG12 VAL 21 2HG1 VAL 21 -13.467 3.739 -1.157 130 HG13 VAL 21 3HG1 VAL 21 -12.689 5.320 -1.106 131 HG21 VAL 21 3HG2 VAL 21 -13.463 2.264 0.839 132 HG22 VAL 21 1HG2 VAL 21 -11.715 2.144 0.594 133 HG23 VAL 21 2HG2 VAL 21 -12.356 2.582 2.187 134 H LEU 22 H LEU 22 -9.915 3.305 2.789 135 HA LEU 22 HA LEU 22 -7.340 3.535 1.528 136 HB3 LEU 22 2HB LEU 22 -6.883 1.331 2.791 137 HG LEU 22 HG LEU 22 -7.997 3.644 4.429 138 HD11 LEU 22 1HD1 LEU 22 -6.359 1.231 5.310 139 HD12 LEU 22 2HD1 LEU 22 -8.049 1.563 5.726 140 HD13 LEU 22 3HD1 LEU 22 -6.774 2.635 6.323 141 HD21 LEU 22 3HD2 LEU 22 -5.967 4.224 3.066 142 HD22 LEU 22 1HD2 LEU 22 -5.112 2.852 3.782 143 HD23 LEU 22 2HD2 LEU 22 -5.628 4.213 4.794 144 HA PRO 23 HA PRO 23 -7.859 0.595 -1.867 145 HB3 PRO 23 2HB PRO 23 -5.864 1.149 -2.820 146 HG3 PRO 23 2HG PRO 23 -4.176 2.149 -1.489 147 HD3 PRO 23 2HD PRO 23 -6.125 3.279 -0.750 148 HA PRO 24 HA PRO 24 -8.399 -3.284 0.048 149 HB3 PRO 24 2HB PRO 24 -9.410 -3.914 -1.939 150 HG3 PRO 24 2HG PRO 24 -8.367 -3.529 -4.061 151 HD3 PRO 24 2HD PRO 24 -8.622 -1.444 -2.944 152 H THR 25 H THR 25 -7.478 -5.430 0.621 153 HA THR 25 HA THR 25 -4.517 -5.540 0.640 154 HB THR 25 HB THR 25 -5.468 -6.067 3.275 155 HG1 THR 25 1HG THR 25 -7.281 -4.873 3.051 156 HG21 THR 25 3HG2 THR 25 -4.078 -3.612 2.101 157 HG22 THR 25 1HG2 THR 25 -3.294 -5.037 2.802 158 HG23 THR 25 2HG2 THR 25 -4.217 -3.953 3.839 159 HA PRO 26 HA PRO 26 -5.224 -9.822 0.063 160 HB3 PRO 26 2HB PRO 26 -2.968 -10.283 -0.158 161 HG3 PRO 26 2HG PRO 26 -1.422 -8.998 1.052 162 HD3 PRO 26 2HD PRO 26 -2.801 -7.319 0.256 163 H LYS 27 H LYS 27 -6.423 -11.353 0.961 164 HA LYS 27 HA LYS 27 -7.570 -11.199 3.482 165 HB3 LYS 27 2HB LYS 27 -8.706 -12.085 1.562 166 HG3 LYS 27 2HG LYS 27 -6.443 -14.112 1.587 167 HD3 LYS 27 2HD LYS 27 -8.009 -15.497 0.104 168 HE3 LYS 27 2HE LYS 27 -8.432 -15.375 3.124 169 HZ1 LYS 27 3HZ LYS 27 -9.012 -17.552 1.220 170 HZ2 LYS 27 1HZ LYS 27 -10.105 -16.738 2.125 171 HZ3 LYS 27 2HZ LYS 27 -8.988 -17.716 2.869 172 H ASN 28 H ASN 28 -4.708 -11.470 4.046 173 HA ASN 28 HA ASN 28 -4.462 -14.201 5.099 174 HB3 ASN 28 2HB ASN 28 -1.978 -13.764 4.538 175 HD21 ASN 28 1HD2 ASN 28 -3.805 -12.836 1.629 176 HD22 ASN 28 2HD2 ASN 28 -3.820 -14.409 0.912 177 H ILE 29 H ILE 29 -3.878 -10.701 5.474 178 HA ILE 29 HA ILE 29 -3.410 -10.902 8.286 179 HB ILE 29 HB ILE 29 -1.307 -9.841 8.347 180 HG13 ILE 29 2HG1 ILE 29 0.069 -9.032 6.636 181 HG21 ILE 29 1HG2 ILE 29 -1.122 -12.205 8.143 182 HG22 ILE 29 2HG2 ILE 29 -0.977 -12.075 6.365 183 HG23 ILE 29 3HG2 ILE 29 0.283 -11.387 7.416 184 HD11 ILE 29 3HD1 ILE 29 -0.098 -10.558 4.823 185 HD12 ILE 29 1HD1 ILE 29 -1.822 -10.152 4.566 186 HD13 ILE 29 2HD1 ILE 29 -0.563 -8.941 4.282 187 HA PRO 30 HA PRO 30 -5.366 -6.889 7.430 188 HB3 PRO 30 2HB PRO 30 -5.829 -6.894 9.722 189 HG3 PRO 30 2HG PRO 30 -4.114 -7.361 11.341 190 HD3 PRO 30 2HD PRO 30 -4.041 -9.291 9.968 191 H LEU 31 H LEU 31 -4.910 -4.425 7.239 192 HA LEU 31 HA LEU 31 -2.769 -3.645 5.720 193 HB3 LEU 31 2HB LEU 31 -4.375 -2.004 7.681 194 HG LEU 31 HG LEU 31 -3.865 -0.115 6.141 195 HD11 LEU 31 1HD1 LEU 31 -1.317 -0.759 7.653 196 HD12 LEU 31 2HD1 LEU 31 -2.817 -0.244 8.442 197 HD13 LEU 31 3HD1 LEU 31 -2.011 0.799 7.273 198 HD21 LEU 31 3HD2 LEU 31 -1.184 -1.324 5.406 199 HD22 LEU 31 1HD2 LEU 31 -2.064 0.043 4.754 200 HD23 LEU 31 2HD2 LEU 31 -2.635 -1.587 4.391 201 HA PRO 32 HA PRO 32 -0.064 -2.068 9.256 202 HB3 PRO 32 2HB PRO 32 -1.053 -1.515 11.216 203 HG3 PRO 32 2HG PRO 32 -3.034 -2.624 11.926 204 HD3 PRO 32 2HD PRO 32 -3.350 -1.991 9.661 205 H ALA 33 H ALA 33 -0.915 -5.413 8.789 206 HA ALA 33 HA ALA 33 1.778 -6.371 9.608 207 HB1 ALA 33 1HB ALA 33 -0.679 -7.746 8.540 208 HB2 ALA 33 2HB ALA 33 0.889 -8.541 8.839 209 HB3 ALA 33 3HB ALA 33 -0.052 -7.863 10.187 210 H PHE 34 H PHE 34 -0.469 -5.879 6.872 211 HA PHE 34 HA PHE 34 1.034 -7.012 4.941 212 HB3 PHE 34 2HB PHE 34 -0.856 -4.712 4.545 213 HD1 PHE 34 1HD PHE 34 0.624 -7.857 2.943 214 HD2 PHE 34 2HD PHE 34 -1.275 -4.006 2.320 215 HE1 PHE 34 1HE PHE 34 0.947 -8.066 0.542 216 HE2 PHE 34 2HE PHE 34 -1.066 -4.325 -0.105 217 HZ PHE 34 HZ PHE 34 0.090 -6.315 -1.020 218 H GLY 35 H GLY 35 1.816 -3.972 6.292 219 HA2 GLY 35 1HA GLY 35 3.924 -3.558 4.189 220 HA3 GLY 35 2HA GLY 35 3.359 -2.320 5.269 221 H GLN 36 H GLN 36 3.350 -3.287 7.729 222 HA GLN 36 HA GLN 36 6.044 -2.747 8.263 223 HB3 GLN 36 2HB GLN 36 5.432 -2.827 10.580 224 HG3 GLN 36 2HG GLN 36 3.041 -1.830 8.959 225 HE21 GLN 36 1HE2 GLN 36 1.508 -0.416 10.165 226 HE22 GLN 36 2HE2 GLN 36 1.602 -0.512 11.900 227 H ARG 37 H ARG 37 4.515 -5.908 7.997 228 HA ARG 37 HA ARG 37 7.069 -7.142 8.972 229 HB3 ARG 37 2HB ARG 37 5.767 -8.974 9.862 230 HG3 ARG 37 2HG ARG 37 4.321 -6.620 11.045 231 HD3 ARG 37 2HD ARG 37 6.171 -8.630 12.346 232 HE ARG 37 HE ARG 37 4.921 -6.619 13.548 233 HH11 ARG 37 1HH1 ARG 37 4.156 -10.102 13.567 234 HH12 ARG 37 2HH1 ARG 37 3.326 -10.085 15.070 235 HH21 ARG 37 1HH2 ARG 37 3.973 -6.655 15.728 236 HH22 ARG 37 2HH2 ARG 37 3.186 -8.067 16.306 237 H ILE 38 H ILE 38 5.579 -6.477 6.218 238 HA ILE 38 HA ILE 38 6.088 -9.151 4.971 239 HB ILE 38 HB ILE 38 3.933 -7.120 4.388 240 HG13 ILE 38 2HG1 ILE 38 2.275 -8.560 5.223 241 HG21 ILE 38 1HG2 ILE 38 4.477 -8.152 2.308 242 HG22 ILE 38 2HG2 ILE 38 4.451 -9.770 3.021 243 HG23 ILE 38 3HG2 ILE 38 2.948 -8.838 2.851 244 HD11 ILE 38 3HD1 ILE 38 2.910 -10.751 4.733 245 HD12 ILE 38 1HD1 ILE 38 4.311 -10.666 5.871 246 HD13 ILE 38 2HD1 ILE 38 2.641 -10.602 6.469 247 H ILE 39 H ILE 39 6.284 -5.616 4.743 248 HA ILE 39 HA ILE 39 7.835 -5.768 2.215 249 HB ILE 39 HB ILE 39 6.385 -3.391 3.501 250 HG13 ILE 39 2HG1 ILE 39 4.620 -3.617 1.887 251 HG21 ILE 39 1HG2 ILE 39 8.095 -2.611 1.969 252 HG22 ILE 39 2HG2 ILE 39 7.602 -3.761 0.733 253 HG23 ILE 39 3HG2 ILE 39 6.538 -2.412 1.179 254 HD11 ILE 39 3HD1 ILE 39 5.852 -6.241 1.051 255 HD12 ILE 39 1HD1 ILE 39 4.223 -5.713 0.639 256 HD13 ILE 39 2HD1 ILE 39 5.610 -4.814 0.003 257 H GLY 40 H GLY 40 8.111 -5.201 5.632 258 HA2 GLY 40 1HA GLY 40 10.016 -4.701 6.888 259 HA3 GLY 40 2HA GLY 40 10.966 -4.780 5.406 260 H TRP 41 H TRP 41 8.289 -2.622 5.303 261 HA TRP 41 HA TRP 41 10.033 -0.315 5.019 262 HB3 TRP 41 2HB TRP 41 8.022 -0.952 3.587 263 HD1 TRP 41 HD TRP 41 6.718 -1.282 6.874 264 HE1 TRP 41 1HE TRP 41 4.281 -0.751 7.129 265 HE3 TRP 41 3HE TRP 41 5.914 0.855 2.277 266 HZ2 TRP 41 2HZ TRP 41 2.078 0.365 5.453 267 HZ3 TRP 41 3HZ TRP 41 3.685 1.584 1.662 268 HH2 TRP 41 HH TRP 41 1.781 1.440 3.260 269 H GLY 42 H GLY 42 9.703 -1.583 7.750 270 HA2 GLY 42 1HA GLY 42 9.220 -1.097 9.903 271 HA3 GLY 42 2HA GLY 42 9.876 0.508 9.523 272 H THR 43 H THR 43 8.551 2.043 9.866 273 HA THR 43 HA THR 43 5.754 2.203 9.362 274 HB THR 43 HB THR 43 5.554 0.305 10.982 275 HG1 THR 43 1HG THR 43 4.398 2.698 11.840 276 HG21 THR 43 3HG2 THR 43 5.799 0.720 13.363 277 HG22 THR 43 1HG2 THR 43 6.475 2.336 13.038 278 HG23 THR 43 2HG2 THR 43 7.352 0.880 12.499 279 H GLY 44 H GLY 44 8.092 4.028 9.572 280 HA2 GLY 44 1HA GLY 44 6.578 6.292 10.454 281 HA3 GLY 44 2HA GLY 44 7.755 5.951 11.681 282 H ALA 45 H ALA 45 7.358 6.243 8.283 283 HA ALA 45 HA ALA 45 8.632 6.910 6.473 284 HB1 ALA 45 1HB ALA 45 10.241 8.718 6.649 285 HB2 ALA 45 2HB ALA 45 8.745 9.170 7.496 286 HB3 ALA 45 3HB ALA 45 10.170 8.656 8.418 287 H GLU 46 H GLU 46 10.998 6.797 9.069 288 HA GLU 46 HA GLU 46 13.166 6.383 7.695 289 HB3 GLU 46 2HB GLU 46 12.921 4.805 10.258 290 HG3 GLU 46 2HG GLU 46 14.560 7.196 10.427 291 H GLY 47 H GLY 47 11.207 3.638 8.888 292 HA2 GLY 47 1HA GLY 47 12.364 1.360 8.002 293 HA3 GLY 47 2HA GLY 47 10.686 1.673 7.871 294 H ALA 48 H ALA 48 10.080 3.197 5.972 295 HA ALA 48 HA ALA 48 10.512 1.663 3.578 296 HB1 ALA 48 1HB ALA 48 8.983 3.225 2.492 297 HB2 ALA 48 2HB ALA 48 8.344 2.894 4.104 298 HB3 ALA 48 3HB ALA 48 9.194 4.414 3.774 299 H ARG 49 H ARG 49 12.217 4.427 4.936 300 HA ARG 49 HA ARG 49 13.343 5.216 2.323 301 HB3 ARG 49 2HB ARG 49 14.257 5.919 5.164 302 HG3 ARG 49 2HG ARG 49 14.894 8.080 3.760 303 HD3 ARG 49 2HD ARG 49 16.693 5.623 3.689 304 HE ARG 49 HE ARG 49 18.015 7.205 2.673 305 HH11 ARG 49 1HH1 ARG 49 16.376 8.785 5.405 306 HH12 ARG 49 2HH1 ARG 49 17.367 10.197 5.328 307 HH21 ARG 49 1HH2 ARG 49 19.373 9.018 2.678 308 HH22 ARG 49 2HH2 ARG 49 19.130 10.338 3.764 309 H GLN 50 H GLN 50 14.365 3.076 5.078 310 HA GLN 50 HA GLN 50 16.970 2.795 3.826 311 HB3 GLN 50 2HB GLN 50 17.612 1.410 5.509 312 HG3 GLN 50 2HG GLN 50 16.950 2.189 7.619 313 HE21 GLN 50 1HE2 GLN 50 16.506 4.554 8.463 314 HE22 GLN 50 2HE2 GLN 50 17.776 5.573 7.820 315 H ARG 51 H ARG 51 13.924 1.148 3.353 316 HA ARG 51 HA ARG 51 15.356 -1.129 2.056 317 HB3 ARG 51 2HB ARG 51 12.965 -2.185 2.177 318 HG3 ARG 51 2HG ARG 51 13.253 -2.767 4.579 319 HD3 ARG 51 2HD ARG 51 15.810 -2.885 2.952 320 HE ARG 51 HE ARG 51 16.436 -3.607 5.062 321 HH11 ARG 51 1HH1 ARG 51 13.654 -5.573 3.974 322 HH12 ARG 51 2HH1 ARG 51 14.301 -7.034 4.652 323 HH21 ARG 51 1HH2 ARG 51 17.242 -5.608 5.913 324 HH22 ARG 51 2HH2 ARG 51 16.159 -6.958 6.038 325 H LEU 52 H LEU 52 14.998 1.563 0.703 326 HA LEU 52 HA LEU 52 13.252 0.697 -1.570 327 HB3 LEU 52 2HB LEU 52 13.693 3.241 -0.077 328 HG LEU 52 HG LEU 52 13.863 4.287 -2.160 329 HD11 LEU 52 1HD1 LEU 52 12.174 3.916 -4.032 330 HD12 LEU 52 2HD1 LEU 52 11.796 2.364 -3.261 331 HD13 LEU 52 3HD1 LEU 52 13.417 2.700 -3.878 332 HD21 LEU 52 3HD2 LEU 52 12.038 4.980 -0.531 333 HD22 LEU 52 1HD2 LEU 52 10.887 4.209 -1.622 334 HD23 LEU 52 2HD2 LEU 52 11.870 5.582 -2.197 335 H GLU 53 H GLU 53 16.031 2.954 -1.038 336 HA GLU 53 HA GLU 53 16.526 2.993 -3.876 337 HB3 GLU 53 2HB GLU 53 18.072 4.600 -3.521 338 HG3 GLU 53 2HG GLU 53 16.955 4.802 -0.695 339 H ASN 54 H ASN 54 17.217 0.714 -1.556 340 HA ASN 54 HA ASN 54 19.227 -0.649 -3.213 341 HB3 ASN 54 2HB ASN 54 20.451 0.087 -1.336 342 HD21 ASN 54 1HD2 ASN 54 17.319 -1.255 -0.050 343 HD22 ASN 54 2HD2 ASN 54 17.411 -0.155 1.362 344 H ILE 55 H ILE 55 16.772 -1.153 -3.968 345 HA ILE 55 HA ILE 55 15.636 -3.404 -2.472 346 HB ILE 55 HB ILE 55 14.323 -1.672 -3.900 347 HG13 ILE 55 2HG1 ILE 55 13.797 -4.649 -3.961 348 HG21 ILE 55 1HG2 ILE 55 13.970 -2.244 -6.250 349 HG22 ILE 55 2HG2 ILE 55 15.702 -1.901 -5.958 350 HG23 ILE 55 3HG2 ILE 55 15.123 -3.572 -6.127 351 HD11 ILE 55 3HD1 ILE 55 11.939 -4.006 -2.473 352 HD12 ILE 55 1HD1 ILE 55 13.489 -3.457 -1.792 353 HD13 ILE 55 2HD1 ILE 55 12.409 -2.302 -2.608 354 H GLN 56 H GLN 56 15.399 -5.581 -3.639 355 HA GLN 56 HA GLN 56 17.579 -6.231 -5.515 356 HB3 GLN 56 2HB GLN 56 17.974 -8.284 -4.341 357 HG3 GLN 56 2HG GLN 56 18.389 -7.860 -2.031 358 HE21 GLN 56 1HE2 GLN 56 18.807 -4.736 -1.627 359 HE22 GLN 56 2HE2 GLN 56 20.263 -4.488 -2.534 360 HA PRO 57 HA PRO 57 14.023 -8.087 -7.701 361 HB3 PRO 57 2HB PRO 57 15.480 -8.755 -9.366 362 HG3 PRO 57 2HG PRO 57 17.664 -9.559 -8.858 363 HD3 PRO 57 2HD PRO 57 17.573 -7.516 -7.656 364 H ALA 58 H ALA 58 15.941 -10.187 -5.466 365 HA ALA 58 HA ALA 58 13.833 -12.011 -4.921 366 HB1 ALA 58 1HB ALA 58 15.184 -12.484 -2.892 367 HB2 ALA 58 2HB ALA 58 16.133 -12.545 -4.395 368 HB3 ALA 58 3HB ALA 58 16.238 -11.132 -3.320 369 H ASP 59 H ASP 59 14.463 -8.736 -3.697 370 HA ASP 59 HA ASP 59 12.689 -8.932 -1.395 371 HB3 ASP 59 2HB ASP 59 12.761 -6.342 -1.741 372 H VAL 60 H VAL 60 12.315 -8.811 -4.813 373 HA VAL 60 HA VAL 60 9.517 -7.907 -4.655 374 HB VAL 60 HB VAL 60 11.436 -8.080 -6.992 375 HG11 VAL 60 1HG1 VAL 60 9.529 -6.812 -8.102 376 HG12 VAL 60 2HG1 VAL 60 9.255 -8.528 -7.838 377 HG13 VAL 60 3HG1 VAL 60 8.513 -7.332 -6.748 378 HG21 VAL 60 3HG2 VAL 60 12.082 -6.289 -5.609 379 HG22 VAL 60 1HG2 VAL 60 10.958 -5.504 -6.722 380 HG23 VAL 60 2HG2 VAL 60 10.431 -5.935 -5.095 381 H SER 61 H SER 61 11.267 -10.779 -4.571 382 HA SER 61 HA SER 61 8.946 -12.247 -5.649 383 HB3 SER 61 2HB SER 61 10.558 -14.224 -5.407 384 HG SER 61 HG SER 61 11.622 -12.597 -7.311 385 H MET 62 H MET 62 10.421 -11.745 -2.668 386 HA MET 62 HA MET 62 9.344 -13.867 -1.160 387 HB3 MET 62 2HB MET 62 11.295 -12.475 -0.566 388 HG3 MET 62 2HG MET 62 9.285 -10.486 0.536 389 HE1 MET 62 3HE MET 62 10.322 -11.022 2.932 390 HE2 MET 62 1HE MET 62 11.532 -12.152 2.291 391 HE3 MET 62 2HE MET 62 12.041 -10.812 3.335 392 H ILE 63 H ILE 63 7.975 -10.631 -1.780 393 HA ILE 63 HA ILE 63 5.963 -10.696 0.227 394 HB ILE 63 HB ILE 63 6.230 -9.143 -2.372 395 HG13 ILE 63 2HG1 ILE 63 7.958 -8.858 -0.398 396 HG21 ILE 63 1HG2 ILE 63 3.928 -9.057 -1.873 397 HG22 ILE 63 2HG2 ILE 63 4.213 -8.804 -0.124 398 HG23 ILE 63 3HG2 ILE 63 4.578 -7.525 -1.315 399 HD11 ILE 63 3HD1 ILE 63 6.431 -6.431 -1.414 400 HD12 ILE 63 1HD1 ILE 63 7.936 -6.389 -0.486 401 HD13 ILE 63 2HD1 ILE 63 7.893 -7.128 -2.094 402 H LYS 64 H LYS 64 6.083 -11.990 -3.054 403 HA LYS 64 HA LYS 64 3.272 -12.649 -3.282 404 HB3 LYS 64 2HB LYS 64 4.013 -14.269 -4.943 405 HG3 LYS 64 2HG LYS 64 4.356 -11.481 -5.050 406 HD3 LYS 64 2HD LYS 64 6.808 -11.913 -5.289 407 HE3 LYS 64 2HE LYS 64 5.830 -13.349 -7.793 408 HZ1 LYS 64 3HZ LYS 64 8.547 -12.249 -7.335 409 HZ2 LYS 64 1HZ LYS 64 7.563 -11.978 -8.624 410 HZ3 LYS 64 2HZ LYS 64 8.215 -13.444 -8.387 411 H LYS 65 H LYS 65 6.026 -14.232 -1.651 412 HA LYS 65 HA LYS 65 4.663 -16.719 -1.225 413 HB3 LYS 65 2HB LYS 65 6.479 -16.941 0.601 414 HG3 LYS 65 2HG LYS 65 6.626 -17.921 -1.722 415 HD3 LYS 65 2HD LYS 65 8.853 -16.472 -2.684 416 HE3 LYS 65 2HE LYS 65 7.109 -15.663 -4.464 417 HZ1 LYS 65 3HZ LYS 65 7.608 -18.520 -3.970 418 HZ2 LYS 65 1HZ LYS 65 8.501 -17.478 -4.868 419 HZ3 LYS 65 2HZ LYS 65 7.000 -17.868 -5.395 420 H GLN 66 H GLN 66 4.347 -13.613 0.269 421 HA GLN 66 HA GLN 66 3.300 -14.747 2.783 422 HB3 GLN 66 2HB GLN 66 2.725 -12.243 3.123 423 HG3 GLN 66 2HG GLN 66 4.547 -13.510 4.297 424 HE21 GLN 66 1HE2 GLN 66 6.580 -11.060 2.738 425 HE22 GLN 66 2HE2 GLN 66 7.726 -12.210 2.088 426 H GLY 67 H GLY 67 2.011 -14.121 -0.386 427 HA2 GLY 67 1HA GLY 67 -0.277 -14.938 -0.734 428 HA3 GLY 67 2HA GLY 67 -0.750 -14.139 0.749 429 H THR 68 H THR 68 1.179 -12.952 -2.105 430 HA THR 68 HA THR 68 -0.673 -10.628 -2.170 431 HB THR 68 HB THR 68 2.333 -10.421 -2.420 432 HG1 THR 68 1HG THR 68 2.360 -10.847 -0.415 433 HG21 THR 68 3HG2 THR 68 0.093 -8.411 -1.995 434 HG22 THR 68 1HG2 THR 68 1.309 -8.472 -3.308 435 HG23 THR 68 2HG2 THR 68 1.800 -8.025 -1.678 436 H THR 69 H THR 69 -0.687 -9.420 -4.180 437 HA THR 69 HA THR 69 0.490 -10.764 -6.521 438 HB THR 69 HB THR 69 -1.829 -9.933 -7.533 439 HG1 THR 69 1HG THR 69 -3.462 -9.953 -6.193 440 HG21 THR 69 3HG2 THR 69 -0.867 -12.209 -7.657 441 HG22 THR 69 1HG2 THR 69 -2.606 -12.238 -7.372 442 HG23 THR 69 2HG2 THR 69 -1.473 -12.540 -6.016 443 H LEU 70 H LEU 70 0.159 -9.246 -8.475 444 HA LEU 70 HA LEU 70 1.908 -7.069 -8.076 445 HB3 LEU 70 2HB LEU 70 -0.166 -7.471 -10.308 446 HG LEU 70 HG LEU 70 2.144 -7.015 -11.463 447 HD11 LEU 70 1HD1 LEU 70 1.433 -5.041 -12.372 448 HD12 LEU 70 2HD1 LEU 70 0.129 -4.897 -11.146 449 HD13 LEU 70 3HD1 LEU 70 0.190 -6.277 -12.305 450 HD21 LEU 70 3HD2 LEU 70 2.218 -4.748 -9.483 451 HD22 LEU 70 1HD2 LEU 70 3.309 -5.045 -10.832 452 HD23 LEU 70 2HD2 LEU 70 3.340 -6.128 -9.454 453 H GLU 71 H GLU 71 -1.536 -7.302 -8.693 454 HA GLU 71 HA GLU 71 -1.980 -4.690 -9.152 455 HB3 GLU 71 2HB GLU 71 -4.413 -5.334 -8.725 456 HG3 GLU 71 2HG GLU 71 -2.744 -7.352 -10.273 457 H MET 72 H MET 72 -1.663 -6.313 -6.168 458 HA MET 72 HA MET 72 -3.011 -4.430 -4.357 459 HB3 MET 72 2HB MET 72 -1.078 -5.771 -2.847 460 HG3 MET 72 2HG MET 72 -3.700 -5.552 -2.629 461 HE1 MET 72 3HE MET 72 -3.871 -10.067 -3.445 462 HE2 MET 72 1HE MET 72 -2.343 -9.223 -3.151 463 HE3 MET 72 2HE MET 72 -3.610 -9.247 -1.900 464 H ILE 73 H ILE 73 0.346 -5.095 -5.391 465 HA ILE 73 HA ILE 73 1.579 -3.030 -3.852 466 HB ILE 73 HB ILE 73 2.492 -4.339 -6.453 467 HG13 ILE 73 2HG1 ILE 73 3.753 -5.930 -4.993 468 HG21 ILE 73 1HG2 ILE 73 4.759 -3.849 -5.743 469 HG22 ILE 73 2HG2 ILE 73 3.823 -2.370 -5.891 470 HG23 ILE 73 3HG2 ILE 73 4.162 -3.022 -4.280 471 HD11 ILE 73 3HD1 ILE 73 3.571 -4.681 -2.786 472 HD12 ILE 73 1HD1 ILE 73 1.820 -5.021 -2.798 473 HD13 ILE 73 2HD1 ILE 73 2.993 -6.356 -2.715 474 H THR 74 H THR 74 0.433 -3.056 -7.224 475 HA THR 74 HA THR 74 1.287 -0.355 -7.712 476 HB THR 74 HB THR 74 -0.508 -0.590 -9.575 477 HG1 THR 74 1HG THR 74 -0.152 -3.345 -9.024 478 HG21 THR 74 3HG2 THR 74 1.851 -0.779 -10.100 479 HG22 THR 74 1HG2 THR 74 1.022 -2.098 -10.909 480 HG23 THR 74 2HG2 THR 74 1.942 -2.417 -9.418 481 H ALA 75 H ALA 75 -1.791 -1.701 -6.399 482 HA ALA 75 HA ALA 75 -3.134 0.867 -6.603 483 HB1 ALA 75 1HB ALA 75 -4.833 -0.134 -5.140 484 HB2 ALA 75 2HB ALA 75 -4.413 -1.211 -6.479 485 HB3 ALA 75 3HB ALA 75 -3.781 -1.538 -4.845 486 H TRP 76 H TRP 76 -1.218 -0.736 -4.117 487 HA TRP 76 HA TRP 76 -1.606 1.320 -2.098 488 HB3 TRP 76 2HB TRP 76 0.481 -0.082 -1.186 489 HD1 TRP 76 HD TRP 76 -1.908 -2.784 -1.789 490 HE1 TRP 76 1HE TRP 76 -3.780 -2.855 -0.066 491 HE3 TRP 76 3HE TRP 76 -1.126 1.734 0.475 492 HZ2 TRP 76 2HZ TRP 76 -4.580 -1.358 2.277 493 HZ3 TRP 76 3HZ TRP 76 -2.502 2.418 2.417 494 HH2 TRP 76 HH TRP 76 -4.217 0.821 3.345 495 H GLN 77 H GLN 77 0.524 1.016 -4.820 496 HA GLN 77 HA GLN 77 2.513 2.914 -3.810 497 HB3 GLN 77 2HB GLN 77 1.855 1.821 -6.596 498 HG3 GLN 77 2HG GLN 77 4.485 2.704 -6.454 499 HE21 GLN 77 1HE2 GLN 77 4.697 2.866 -8.728 500 HE22 GLN 77 2HE2 GLN 77 3.749 4.065 -9.582 501 H ASP 78 H ASP 78 -0.014 2.891 -6.277 502 HA ASP 78 HA ASP 78 0.040 5.495 -7.052 503 HB3 ASP 78 2HB ASP 78 -2.463 3.807 -6.960 504 H PHE 79 H PHE 79 -1.815 4.114 -4.424 505 HA PHE 79 HA PHE 79 -3.514 6.192 -3.661 506 HB3 PHE 79 2HB PHE 79 -1.933 4.232 -1.937 507 HD1 PHE 79 1HD PHE 79 -5.458 5.561 -2.029 508 HD2 PHE 79 2HD PHE 79 -1.837 5.106 0.264 509 HE1 PHE 79 1HE PHE 79 -6.597 6.520 -0.049 510 HE2 PHE 79 2HE PHE 79 -2.974 6.079 2.244 511 HZ PHE 79 HZ PHE 79 -5.352 6.779 2.092 512 H TYR 80 H TYR 80 -0.063 5.744 -2.764 513 HA TYR 80 HA TYR 80 -0.080 8.312 -1.297 514 HB3 TYR 80 2HB TYR 80 2.399 7.793 -1.026 515 HD1 TYR 80 2HD TYR 80 0.026 7.921 0.786 516 HD2 TYR 80 1HD TYR 80 2.544 4.630 -0.380 517 HE1 TYR 80 2HE TYR 80 -0.699 6.724 2.806 518 HE2 TYR 80 1HE TYR 80 1.709 3.321 1.602 519 HH TYR 80 HH TYR 80 -0.847 4.572 3.747 520 H GLU 81 H GLU 81 0.946 7.053 -4.470 521 HA GLU 81 HA GLU 81 2.638 9.277 -5.032 522 HB3 GLU 81 2HB GLU 81 2.233 8.438 -7.475 523 HG3 GLU 81 2HG GLU 81 3.361 6.174 -5.878 524 H GLN 82 H GLN 82 -0.844 9.266 -5.148 525 HA GLN 82 HA GLN 82 -0.804 11.857 -6.573 526 HB3 GLN 82 2HB GLN 82 -3.119 12.082 -5.452 527 HG3 GLN 82 2HG GLN 82 -2.381 11.018 -7.886 528 HE21 GLN 82 1HE2 GLN 82 -1.745 8.726 -8.061 529 HE22 GLN 82 2HE2 GLN 82 -2.945 7.488 -7.825 530 H GLU 83 H GLU 83 -0.321 10.788 -3.201 531 HA GLU 83 HA GLU 83 -1.217 13.227 -1.995 532 HB3 GLU 83 2HB GLU 83 -0.128 12.393 0.024 533 HG3 GLU 83 2HG GLU 83 -1.010 10.046 0.182 534 H GLN 84 H GLN 84 1.813 12.108 -3.344 535 HA GLN 84 HA GLN 84 3.553 13.849 -2.058 536 HB3 GLN 84 2HB GLN 84 4.740 13.682 -4.520 537 HG3 GLN 84 2HG GLN 84 5.557 12.872 -2.441 538 HE21 GLN 84 1HE2 GLN 84 4.479 9.858 -3.743 539 HE22 GLN 84 2HE2 GLN 84 3.172 9.589 -2.555 540 H GLN 85 H GLN 85 1.387 14.516 -4.747 541 HA GLN 85 HA GLN 85 2.381 16.938 -5.767 542 HB3 GLN 85 2HB GLN 85 0.042 17.347 -6.459 543 HG3 GLN 85 2HG GLN 85 0.706 14.383 -6.551 544 HE21 GLN 85 1HE2 GLN 85 -1.676 14.097 -6.317 545 HE22 GLN 85 2HE2 GLN 85 -2.708 14.386 -7.710 546 H ARG 86 H ARG 86 0.594 16.237 -2.870 547 HA ARG 86 HA ARG 86 0.381 19.155 -2.152 548 HB3 ARG 86 2HB ARG 86 -1.772 18.122 -2.484 549 HG3 ARG 86 2HG ARG 86 -1.090 16.194 -0.226 550 HD3 ARG 86 2HD ARG 86 -3.562 16.245 -1.980 551 HE ARG 86 HE ARG 86 -3.302 14.181 -0.753 552 HH11 ARG 86 1HH1 ARG 86 -3.852 16.965 1.463 553 HH12 ARG 86 2HH1 ARG 86 -4.585 15.947 2.661 554 HH21 ARG 86 1HH2 ARG 86 -3.974 12.943 0.885 555 HH22 ARG 86 2HH2 ARG 86 -4.479 13.568 2.398 556 H ASN 87 H ASN 87 1.876 16.223 -1.192 557 HA ASN 87 HA ASN 87 2.182 16.790 1.621 558 HB3 ASN 87 2HB ASN 87 3.882 14.808 1.213 559 HD21 ASN 87 1HD2 ASN 87 0.867 15.623 2.257 560 HD22 ASN 87 2HD2 ASN 87 0.187 13.995 2.326 561 H GLU 88 H GLU 88 2.983 19.000 1.075 562 HA GLU 88 HA GLU 88 5.582 19.497 0.094 563 HB3 GLU 88 2HB GLU 88 5.334 21.474 1.883 564 HG3 GLU 88 2HG GLU 88 3.498 21.185 -0.509 565 H ASN 89 H ASN 89 4.642 18.018 3.147 566 HA ASN 89 HA ASN 89 7.506 17.826 3.875 567 HB3 ASN 89 2HB ASN 89 6.723 18.461 6.295 568 HD21 ASN 89 1HD2 ASN 89 5.799 21.315 4.664 569 HD22 ASN 89 2HD2 ASN 89 7.409 22.015 4.537 570 H ASN 90 H ASN 90 5.173 15.937 3.049 571 HA ASN 90 HA ASN 90 5.202 14.155 5.446 572 HB3 ASN 90 2HB ASN 90 3.701 13.714 2.891 573 HD21 ASN 90 1HD2 ASN 90 2.014 12.183 3.036 574 HD22 ASN 90 2HD2 ASN 90 1.687 11.208 4.431 575 HA PRO 91 HA PRO 91 8.582 12.254 2.871 576 HB3 PRO 91 2HB PRO 91 10.156 12.780 4.520 577 HG3 PRO 91 2HG PRO 91 9.479 13.037 6.803 578 HD3 PRO 91 2HD PRO 91 8.119 14.414 5.602 579 H THR 92 H THR 92 6.515 10.941 5.486 580 HA THR 92 HA THR 92 7.133 8.293 5.177 581 HB THR 92 HB THR 92 4.579 9.628 6.139 582 HG1 THR 92 1HG THR 92 5.696 9.921 7.965 583 HG21 THR 92 3HG2 THR 92 5.780 6.923 6.878 584 HG22 THR 92 1HG2 THR 92 4.280 7.178 5.943 585 HG23 THR 92 2HG2 THR 92 4.379 7.687 7.640 586 H ALA 93 H ALA 93 4.338 9.999 3.538 587 HA ALA 93 HA ALA 93 3.521 7.623 2.076 588 HB1 ALA 93 1HB ALA 93 2.319 9.291 0.645 589 HB2 ALA 93 2HB ALA 93 1.969 9.511 2.364 590 HB3 ALA 93 3HB ALA 93 3.109 10.594 1.524 591 H LYS 94 H LYS 94 5.597 10.424 1.397 592 HA LYS 94 HA LYS 94 6.272 10.103 -1.168 593 HB3 LYS 94 2HB LYS 94 8.670 10.723 0.452 594 HG3 LYS 94 2HG LYS 94 7.346 11.763 -1.819 595 HD3 LYS 94 2HD LYS 94 6.077 13.239 -0.280 596 HE3 LYS 94 2HE LYS 94 8.143 13.535 1.383 597 HZ1 LYS 94 3HZ LYS 94 8.210 15.970 -0.300 598 HZ2 LYS 94 1HZ LYS 94 9.429 14.896 -0.191 599 HZ3 LYS 94 2HZ LYS 94 9.004 15.747 1.149 600 H TYR 95 H TYR 95 7.986 8.408 1.448 601 HA TYR 95 HA TYR 95 9.658 7.062 -0.543 602 HB3 TYR 95 2HB TYR 95 10.459 5.770 1.476 603 HD1 TYR 95 2HD TYR 95 12.337 6.975 0.277 604 HD2 TYR 95 1HD TYR 95 9.959 8.843 3.302 605 HE1 TYR 95 2HE TYR 95 14.156 8.620 0.702 606 HE2 TYR 95 1HE TYR 95 11.713 10.507 3.702 607 HH TYR 95 HH TYR 95 13.567 11.491 2.667 608 H ARG 96 H ARG 96 6.745 6.145 1.460 609 HA ARG 96 HA ARG 96 6.753 3.373 0.981 610 HB3 ARG 96 2HB ARG 96 4.199 3.658 1.123 611 HG3 ARG 96 2HG ARG 96 5.831 5.008 3.229 612 HD3 ARG 96 2HD ARG 96 3.083 3.815 3.296 613 HE ARG 96 HE ARG 96 4.950 3.480 5.342 614 HH11 ARG 96 1HH1 ARG 96 1.658 4.724 4.919 615 HH12 ARG 96 2HH1 ARG 96 1.131 4.296 6.504 616 HH21 ARG 96 1HH2 ARG 96 4.278 2.740 7.276 617 HH22 ARG 96 2HH2 ARG 96 2.612 2.971 7.846 618 H ALA 97 H ALA 97 5.200 5.973 -1.031 619 HA ALA 97 HA ALA 97 4.082 4.310 -2.969 620 HB1 ALA 97 1HB ALA 97 4.322 7.064 -2.354 621 HB2 ALA 97 2HB ALA 97 5.192 6.896 -3.881 622 HB3 ALA 97 3HB ALA 97 3.489 6.339 -3.716 623 H ARG 98 H ARG 98 7.226 6.031 -2.970 624 HA ARG 98 HA ARG 98 8.166 4.893 -5.339 625 HB3 ARG 98 2HB ARG 98 10.477 5.534 -4.086 626 HG3 ARG 98 2HG ARG 98 8.383 7.198 -5.431 627 HD3 ARG 98 2HD ARG 98 10.620 8.445 -3.759 628 HE ARG 98 HE ARG 98 9.102 9.971 -5.806 629 HH11 ARG 98 1HH1 ARG 98 12.153 8.262 -5.359 630 HH12 ARG 98 2HH1 ARG 98 12.973 9.208 -6.553 631 HH21 ARG 98 1HH2 ARG 98 10.326 11.500 -7.018 632 HH22 ARG 98 2HH2 ARG 98 11.995 11.161 -7.357 633 H LEU 99 H LEU 99 8.269 3.505 -2.083 634 HA LEU 99 HA LEU 99 10.075 1.342 -2.675 635 HB3 LEU 99 2HB LEU 99 7.857 1.545 -0.587 636 HG LEU 99 HG LEU 99 8.418 -0.738 -0.580 637 HD11 LEU 99 1HD1 LEU 99 11.342 0.060 -0.811 638 HD12 LEU 99 2HD1 LEU 99 10.398 -0.850 -2.011 639 HD13 LEU 99 3HD1 LEU 99 10.777 -1.578 -0.455 640 HD21 LEU 99 3HD2 LEU 99 8.478 0.396 1.606 641 HD22 LEU 99 1HD2 LEU 99 10.221 0.714 1.406 642 HD23 LEU 99 2HD2 LEU 99 9.641 -0.949 1.566 643 H MET 100 H MET 100 6.584 1.440 -2.310 644 HA MET 100 HA MET 100 5.957 -1.123 -3.342 645 HB3 MET 100 2HB MET 100 3.727 -0.306 -3.834 646 HG3 MET 100 2HG MET 100 2.929 0.311 -1.777 647 HE1 MET 100 3HE MET 100 3.856 -3.057 -0.402 648 HE2 MET 100 1HE MET 100 2.567 -1.856 -0.607 649 HE3 MET 100 2HE MET 100 3.474 -2.423 -2.025 650 H LYS 101 H LYS 101 6.370 1.937 -5.169 651 HA LYS 101 HA LYS 101 5.988 1.082 -7.797 652 HB3 LYS 101 2HB LYS 101 8.018 3.040 -6.746 653 HG3 LYS 101 2HG LYS 101 7.130 2.284 -9.533 654 HD3 LYS 101 2HD LYS 101 7.435 4.967 -8.317 655 HE3 LYS 101 2HE LYS 101 8.482 4.184 -11.061 656 HZ1 LYS 101 3HZ LYS 101 7.202 6.198 -11.233 657 HZ2 LYS 101 1HZ LYS 101 8.804 6.562 -11.316 658 HZ3 LYS 101 2HZ LYS 101 7.962 6.860 -9.921 659 H LYS 102 H LYS 102 9.084 0.919 -5.944 660 HA LYS 102 HA LYS 102 10.414 -0.381 -8.154 661 HB3 LYS 102 2HB LYS 102 11.708 -0.916 -5.580 662 HG3 LYS 102 2HG LYS 102 12.295 0.880 -7.986 663 HD3 LYS 102 2HD LYS 102 13.984 0.155 -5.579 664 HE3 LYS 102 2HE LYS 102 14.870 1.146 -8.332 665 HZ1 LYS 102 3HZ LYS 102 17.085 0.733 -7.246 666 HZ2 LYS 102 1HZ LYS 102 16.314 0.690 -5.802 667 HZ3 LYS 102 2HZ LYS 102 16.260 2.071 -6.687 668 H ILE 103 H ILE 103 8.405 -1.622 -5.573 669 HA ILE 103 HA ILE 103 9.274 -4.333 -5.997 670 HB ILE 103 HB ILE 103 6.860 -3.158 -4.585 671 HG13 ILE 103 2HG1 ILE 103 9.298 -2.843 -3.656 672 HG21 ILE 103 1HG2 ILE 103 7.821 -6.052 -4.579 673 HG22 ILE 103 2HG2 ILE 103 6.455 -5.385 -3.644 674 HG23 ILE 103 3HG2 ILE 103 6.372 -5.462 -5.400 675 HD11 ILE 103 3HD1 ILE 103 7.340 -2.485 -2.224 676 HD12 ILE 103 1HD1 ILE 103 7.276 -4.219 -1.860 677 HD13 ILE 103 2HD1 ILE 103 8.680 -3.254 -1.360 678 H ALA 104 H ALA 104 6.628 -2.248 -7.344 679 HA ALA 104 HA ALA 104 5.619 -4.379 -9.028 680 HB1 ALA 104 1HB ALA 104 4.457 -2.579 -10.212 681 HB2 ALA 104 2HB ALA 104 4.294 -2.374 -8.449 682 HB3 ALA 104 3HB ALA 104 5.446 -1.364 -9.380 683 H ASP 105 H ASP 105 8.483 -2.422 -9.200 684 HA ASP 105 HA ASP 105 8.718 -2.132 -12.032 685 HB3 ASP 105 2HB ASP 105 10.768 -2.053 -9.782 686 H LEU 106 H LEU 106 10.239 -4.268 -9.665 687 HA LEU 106 HA LEU 106 11.485 -5.991 -11.693 688 HB3 LEU 106 2HB LEU 106 12.489 -7.044 -9.639 689 HG LEU 106 HG LEU 106 12.596 -3.991 -9.740 690 HD11 LEU 106 1HD1 LEU 106 12.953 -4.517 -7.461 691 HD12 LEU 106 2HD1 LEU 106 14.520 -4.174 -8.202 692 HD13 LEU 106 3HD1 LEU 106 14.061 -5.856 -7.867 693 HD21 LEU 106 3HD2 LEU 106 13.640 -5.158 -11.616 694 HD22 LEU 106 1HD2 LEU 106 14.611 -6.146 -10.488 695 HD23 LEU 106 2HD2 LEU 106 14.856 -4.379 -10.601 696 H TRP 107 H TRP 107 8.409 -5.835 -11.073 697 HA TRP 107 HA TRP 107 7.815 -8.468 -10.122 698 HB3 TRP 107 2HB TRP 107 5.883 -6.763 -11.738 699 HD1 TRP 107 HD TRP 107 3.824 -8.363 -11.794 700 HE1 TRP 107 1HE TRP 107 2.655 -9.921 -10.146 701 HE3 TRP 107 3HE TRP 107 6.505 -7.203 -7.670 702 HZ2 TRP 107 2HZ TRP 107 2.528 -10.163 -7.200 703 HZ3 TRP 107 3HZ TRP 107 5.675 -7.849 -5.406 704 HH2 TRP 107 HH TRP 107 3.660 -9.280 -5.183 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -17.689 4.367 10.573 2 HA2 GLY 1 1HA GLY 1 -19.216 3.654 12.347 3 HA3 GLY 1 2HA GLY 1 -20.073 4.593 11.104 4 H THR 2 H THR 2 -22.021 3.575 10.392 5 HA THR 2 HA THR 2 -21.895 0.688 9.920 6 HB THR 2 HB THR 2 -24.282 1.836 11.388 7 HG1 THR 2 1HG THR 2 -21.985 0.743 12.636 8 HG21 THR 2 3HG2 THR 2 -24.416 -0.422 10.303 9 HG22 THR 2 1HG2 THR 2 -24.621 -0.485 12.050 10 HG23 THR 2 2HG2 THR 2 -23.074 -0.968 11.326 11 H ASP 3 H ASP 3 -23.091 0.157 8.076 12 HA ASP 3 HA ASP 3 -25.240 1.920 7.130 13 HB3 ASP 3 2HB ASP 3 -24.365 1.421 4.790 14 H PHE 4 H PHE 4 -26.918 0.633 6.290 15 HA PHE 4 HA PHE 4 -26.547 -1.922 5.197 16 HB3 PHE 4 2HB PHE 4 -28.050 -1.942 7.866 17 HD1 PHE 4 1HD PHE 4 -25.923 -4.196 5.709 18 HD2 PHE 4 2HD PHE 4 -29.659 -3.683 7.815 19 HE1 PHE 4 1HE PHE 4 -26.599 -6.465 5.063 20 HE2 PHE 4 2HE PHE 4 -30.327 -5.987 7.174 21 HZ PHE 4 HZ PHE 4 -28.797 -7.394 5.803 22 H GLY 5 H GLY 5 -28.665 -2.630 4.245 23 HA2 GLY 5 1HA GLY 5 -31.076 -2.451 4.364 24 HA3 GLY 5 2HA GLY 5 -30.929 -0.728 4.677 25 H THR 6 H THR 6 -30.470 -3.234 2.187 26 HA THR 6 HA THR 6 -31.378 -1.221 0.192 27 HB THR 6 HB THR 6 -28.918 -1.275 0.127 28 HG1 THR 6 1HG THR 6 -30.060 -2.371 -2.225 29 HG21 THR 6 3HG2 THR 6 -29.216 -4.147 -0.844 30 HG22 THR 6 1HG2 THR 6 -28.494 -3.641 0.698 31 HG23 THR 6 2HG2 THR 6 -27.729 -3.188 -0.833 32 H THR 7 H THR 7 -31.954 -4.297 1.558 33 HA THR 7 HA THR 7 -32.096 -6.001 -0.536 34 HB THR 7 HB THR 7 -34.138 -6.096 1.687 35 HG1 THR 7 1HG THR 7 -31.413 -6.662 2.149 36 HG21 THR 7 3HG2 THR 7 -32.215 -8.195 0.573 37 HG22 THR 7 1HG2 THR 7 -33.954 -8.077 0.229 38 HG23 THR 7 2HG2 THR 7 -33.409 -8.450 1.870 39 H ASN 8 H ASN 8 -34.284 -3.378 -0.092 40 HA ASN 8 HA ASN 8 -36.530 -4.748 -1.493 41 HB3 ASN 8 2HB ASN 8 -37.902 -2.888 -0.495 42 HD21 ASN 8 1HD2 ASN 8 -36.370 -3.321 2.518 43 HD22 ASN 8 2HD2 ASN 8 -37.180 -4.845 2.870 44 H ASN 9 H ASN 9 -34.073 -3.424 -2.931 45 HA ASN 9 HA ASN 9 -35.774 -2.144 -4.833 46 HB3 ASN 9 2HB ASN 9 -33.322 -0.564 -3.991 47 HD21 ASN 9 1HD2 ASN 9 -34.591 1.973 -4.332 48 HD22 ASN 9 2HD2 ASN 9 -35.082 2.073 -6.015 49 H PHE 10 H PHE 10 -34.975 -2.440 -6.770 50 HA PHE 10 HA PHE 10 -32.867 -4.486 -7.089 51 HB3 PHE 10 2HB PHE 10 -33.985 -5.016 -9.190 52 HD1 PHE 10 2HD PHE 10 -34.216 -6.463 -6.777 53 HD2 PHE 10 1HD PHE 10 -37.211 -3.986 -8.656 54 HE1 PHE 10 2HE PHE 10 -36.001 -7.729 -5.615 55 HE2 PHE 10 1HE PHE 10 -38.989 -5.268 -7.502 56 HZ PHE 10 HZ PHE 10 -38.389 -7.139 -5.976 57 H VAL 11 H VAL 11 -32.552 -1.322 -7.097 58 HA VAL 11 HA VAL 11 -31.091 -1.134 -9.688 59 HB VAL 11 HB VAL 11 -31.501 1.211 -9.698 60 HG11 VAL 11 1HG1 VAL 11 -33.876 1.299 -10.027 61 HG12 VAL 11 2HG1 VAL 11 -33.289 -0.283 -10.561 62 HG13 VAL 11 3HG1 VAL 11 -34.139 -0.128 -9.008 63 HG21 VAL 11 3HG2 VAL 11 -32.759 0.896 -6.965 64 HG22 VAL 11 1HG2 VAL 11 -31.340 1.854 -7.398 65 HG23 VAL 11 2HG2 VAL 11 -32.931 2.342 -7.989 66 H SER 12 H SER 12 -29.214 0.298 -9.677 67 HA SER 12 HA SER 12 -27.288 -0.672 -7.803 68 HB3 SER 12 2HB SER 12 -25.738 0.701 -9.059 69 HG SER 12 HG SER 12 -27.289 0.115 -11.242 70 HA PRO 13 HA PRO 13 -27.764 2.440 -4.698 71 HB3 PRO 13 2HB PRO 13 -26.433 1.129 -3.354 72 HG3 PRO 13 2HG PRO 13 -24.450 0.081 -4.222 73 HD3 PRO 13 2HD PRO 13 -26.226 -0.602 -5.630 74 H ASN 14 H ASN 14 -26.343 4.382 -3.687 75 HA ASN 14 HA ASN 14 -25.459 6.166 -5.863 76 HB3 ASN 14 2HB ASN 14 -27.991 5.894 -5.642 77 HD21 ASN 14 1HD2 ASN 14 -27.903 5.484 -2.838 78 HD22 ASN 14 2HD2 ASN 14 -28.808 6.775 -2.091 79 H LEU 15 H LEU 15 -24.013 5.209 -3.604 80 HA LEU 15 HA LEU 15 -23.710 7.631 -1.916 81 HB3 LEU 15 2HB LEU 15 -23.923 4.823 -0.785 82 HG LEU 15 HG LEU 15 -23.500 7.542 0.331 83 HD11 LEU 15 1HD1 LEU 15 -25.184 7.441 2.095 84 HD12 LEU 15 2HD1 LEU 15 -25.840 5.926 1.432 85 HD13 LEU 15 3HD1 LEU 15 -25.965 7.441 0.512 86 HD21 LEU 15 3HD2 LEU 15 -23.220 6.189 2.463 87 HD22 LEU 15 1HD2 LEU 15 -22.105 5.801 1.142 88 HD23 LEU 15 2HD2 LEU 15 -23.504 4.733 1.493 89 H GLN 16 H GLN 16 -22.020 7.149 -3.970 90 HA GLN 16 HA GLN 16 -19.605 5.807 -2.947 91 HB3 GLN 16 2HB GLN 16 -18.511 6.821 -4.967 92 HG3 GLN 16 2HG GLN 16 -21.088 5.290 -5.470 93 HE21 GLN 16 1HE2 GLN 16 -18.321 3.714 -6.447 94 HE22 GLN 16 2HE2 GLN 16 -18.614 3.937 -8.150 95 H LEU 17 H LEU 17 -20.489 7.356 -0.997 96 HA LEU 17 HA LEU 17 -18.599 9.648 -0.751 97 HB3 LEU 17 2HB LEU 17 -20.271 10.576 0.848 98 HG LEU 17 HG LEU 17 -21.758 11.685 -0.521 99 HD11 LEU 17 1HD1 LEU 17 -19.316 12.152 -0.913 100 HD12 LEU 17 2HD1 LEU 17 -20.390 12.618 -2.235 101 HD13 LEU 17 3HD1 LEU 17 -19.411 11.146 -2.378 102 HD21 LEU 17 3HD2 LEU 17 -22.804 9.730 -1.641 103 HD22 LEU 17 1HD2 LEU 17 -21.437 9.686 -2.786 104 HD23 LEU 17 2HD2 LEU 17 -22.497 11.093 -2.725 105 H LYS 18 H LYS 18 -17.045 8.443 0.302 106 HA LYS 18 HA LYS 18 -17.728 7.712 3.063 107 HB3 LYS 18 2HB LYS 18 -16.129 5.778 3.043 108 HG3 LYS 18 2HG LYS 18 -17.348 4.114 1.734 109 HD3 LYS 18 2HD LYS 18 -19.130 5.984 3.320 110 HE3 LYS 18 2HE LYS 18 -19.744 3.097 2.588 111 HZ1 LYS 18 3HZ LYS 18 -21.127 4.043 4.374 112 HZ2 LYS 18 1HZ LYS 18 -21.996 3.841 3.023 113 HZ3 LYS 18 2HZ LYS 18 -21.481 5.354 3.443 114 H GLN 19 H GLN 19 -15.996 8.127 4.486 115 HA GLN 19 HA GLN 19 -14.103 10.076 3.665 116 HB3 GLN 19 2HB GLN 19 -15.184 9.986 5.854 117 HG3 GLN 19 2HG GLN 19 -14.900 7.404 6.190 118 HE21 GLN 19 1HE2 GLN 19 -13.556 5.753 7.146 119 HE22 GLN 19 2HE2 GLN 19 -11.910 6.120 7.668 120 H ASN 20 H ASN 20 -11.752 9.456 4.769 121 HA ASN 20 HA ASN 20 -10.607 7.927 2.580 122 HB3 ASN 20 2HB ASN 20 -9.202 9.216 4.935 123 HD21 ASN 20 1HD2 ASN 20 -8.320 6.698 2.988 124 HD22 ASN 20 2HD2 ASN 20 -6.875 7.430 2.345 125 H VAL 21 H VAL 21 -11.742 5.980 3.306 126 HA VAL 21 HA VAL 21 -10.519 4.290 5.308 127 HB VAL 21 HB VAL 21 -12.067 3.595 2.755 128 HG11 VAL 21 1HG1 VAL 21 -11.405 1.933 5.222 129 HG12 VAL 21 2HG1 VAL 21 -12.632 1.478 4.026 130 HG13 VAL 21 3HG1 VAL 21 -10.952 1.575 3.534 131 HG21 VAL 21 3HG2 VAL 21 -13.024 3.919 5.634 132 HG22 VAL 21 1HG2 VAL 21 -13.446 4.976 4.270 133 HG23 VAL 21 2HG2 VAL 21 -14.017 3.318 4.291 134 H LEU 22 H LEU 22 -9.192 2.338 4.565 135 HA LEU 22 HA LEU 22 -6.894 3.325 2.979 136 HB3 LEU 22 2HB LEU 22 -5.809 1.229 4.111 137 HG LEU 22 HG LEU 22 -6.814 3.553 5.799 138 HD11 LEU 22 1HD1 LEU 22 -6.361 1.543 7.234 139 HD12 LEU 22 2HD1 LEU 22 -5.176 2.849 7.499 140 HD13 LEU 22 3HD1 LEU 22 -4.762 1.414 6.517 141 HD21 LEU 22 3HD2 LEU 22 -5.156 4.121 4.023 142 HD22 LEU 22 1HD2 LEU 22 -4.019 2.943 4.739 143 HD23 LEU 22 2HD2 LEU 22 -4.562 4.379 5.661 144 HA PRO 23 HA PRO 23 -7.332 0.020 -0.112 145 HB3 PRO 23 2HB PRO 23 -5.361 0.492 -1.147 146 HG3 PRO 23 2HG PRO 23 -3.666 1.656 0.027 147 HD3 PRO 23 2HD PRO 23 -5.657 2.803 0.620 148 HA PRO 24 HA PRO 24 -7.472 -3.796 2.179 149 HB3 PRO 24 2HB PRO 24 -8.563 -4.656 0.306 150 HG3 PRO 24 2HG PRO 24 -7.730 -4.264 -1.909 151 HD3 PRO 24 2HD PRO 24 -8.064 -2.154 -0.940 152 H THR 25 H THR 25 -6.249 -5.717 2.857 153 HA THR 25 HA THR 25 -3.340 -5.696 2.400 154 HB THR 25 HB THR 25 -3.846 -6.129 5.194 155 HG1 THR 25 1HG THR 25 -5.250 -4.733 5.762 156 HG21 THR 25 3HG2 THR 25 -1.756 -5.225 4.390 157 HG22 THR 25 1HG2 THR 25 -2.487 -4.081 5.508 158 HG23 THR 25 2HG2 THR 25 -2.559 -3.783 3.761 159 HA PRO 26 HA PRO 26 -4.103 -10.019 2.277 160 HB3 PRO 26 2HB PRO 26 -1.928 -10.521 1.696 161 HG3 PRO 26 2HG PRO 26 -0.229 -9.128 2.421 162 HD3 PRO 26 2HD PRO 26 -1.576 -7.259 2.307 163 H LYS 27 H LYS 27 -4.948 -11.685 3.537 164 HA LYS 27 HA LYS 27 -5.762 -11.032 6.128 165 HB3 LYS 27 2HB LYS 27 -7.013 -12.501 4.529 166 HG3 LYS 27 2HG LYS 27 -5.051 -14.629 5.540 167 HD3 LYS 27 2HD LYS 27 -7.357 -15.021 3.647 168 HE3 LYS 27 2HE LYS 27 -5.566 -16.792 5.372 169 HZ1 LYS 27 3HZ LYS 27 -7.853 -17.569 5.431 170 HZ2 LYS 27 1HZ LYS 27 -6.849 -18.623 4.710 171 HZ3 LYS 27 2HZ LYS 27 -7.880 -17.682 3.775 172 H ASN 28 H ASN 28 -2.750 -11.307 5.918 173 HA ASN 28 HA ASN 28 -2.213 -13.757 7.415 174 HB3 ASN 28 2HB ASN 28 0.162 -13.038 6.610 175 HD21 ASN 28 1HD2 ASN 28 -2.760 -13.192 4.409 176 HD22 ASN 28 2HD2 ASN 28 -2.343 -14.719 3.725 177 H ILE 29 H ILE 29 -1.528 -10.163 7.325 178 HA ILE 29 HA ILE 29 -1.083 -10.154 10.216 179 HB ILE 29 HB ILE 29 1.085 -9.232 10.049 180 HG13 ILE 29 2HG1 ILE 29 2.349 -8.744 8.085 181 HG21 ILE 29 1HG2 ILE 29 2.444 -10.953 9.082 182 HG22 ILE 29 2HG2 ILE 29 1.031 -11.628 9.930 183 HG23 ILE 29 3HG2 ILE 29 1.064 -11.565 8.147 184 HD11 ILE 29 3HD1 ILE 29 1.379 -10.267 6.379 185 HD12 ILE 29 1HD1 ILE 29 -0.112 -9.266 6.374 186 HD13 ILE 29 2HD1 ILE 29 1.438 -8.579 5.897 187 HA PRO 30 HA PRO 30 -2.984 -6.088 9.639 188 HB3 PRO 30 2HB PRO 30 -3.051 -5.953 11.932 189 HG3 PRO 30 2HG PRO 30 -1.251 -6.655 13.289 190 HD3 PRO 30 2HD PRO 30 -1.566 -8.558 11.930 191 H LEU 31 H LEU 31 -2.518 -3.834 8.898 192 HA LEU 31 HA LEU 31 -0.543 -3.510 7.009 193 HB3 LEU 31 2HB LEU 31 -1.955 -1.416 8.645 194 HG LEU 31 HG LEU 31 -1.678 -0.009 6.633 195 HD11 LEU 31 1HD1 LEU 31 0.128 1.185 7.321 196 HD12 LEU 31 2HD1 LEU 31 1.083 -0.242 7.806 197 HD13 LEU 31 3HD1 LEU 31 -0.300 0.299 8.775 198 HD21 LEU 31 3HD2 LEU 31 0.115 -0.277 5.046 199 HD22 LEU 31 1HD2 LEU 31 -0.829 -1.766 5.066 200 HD23 LEU 31 2HD2 LEU 31 0.741 -1.705 5.885 201 HA PRO 32 HA PRO 32 2.567 -1.462 9.965 202 HB3 PRO 32 2HB PRO 32 1.634 -0.330 11.711 203 HG3 PRO 32 2HG PRO 32 -0.301 -1.147 12.828 204 HD3 PRO 32 2HD PRO 32 -0.816 -1.064 10.521 205 H ALA 33 H ALA 33 1.538 -4.625 9.843 206 HA ALA 33 HA ALA 33 4.250 -5.583 10.618 207 HB1 ALA 33 1HB ALA 33 2.564 -6.888 11.780 208 HB2 ALA 33 2HB ALA 33 1.687 -7.132 10.265 209 HB3 ALA 33 3HB ALA 33 3.299 -7.851 10.474 210 H PHE 34 H PHE 34 1.686 -5.560 8.137 211 HA PHE 34 HA PHE 34 2.885 -6.994 6.170 212 HB3 PHE 34 2HB PHE 34 1.062 -4.611 5.848 213 HD1 PHE 34 1HD PHE 34 2.318 -7.815 4.199 214 HD2 PHE 34 2HD PHE 34 0.205 -4.051 3.736 215 HE1 PHE 34 1HE PHE 34 2.300 -8.094 1.769 216 HE2 PHE 34 2HE PHE 34 0.107 -4.415 1.307 217 HZ PHE 34 HZ PHE 34 1.206 -6.418 0.305 218 H GLY 35 H GLY 35 3.811 -3.786 7.064 219 HA2 GLY 35 1HA GLY 35 5.688 -3.662 4.737 220 HA3 GLY 35 2HA GLY 35 5.196 -2.310 5.716 221 H GLN 36 H GLN 36 5.567 -2.822 8.157 222 HA GLN 36 HA GLN 36 8.216 -2.376 8.604 223 HB3 GLN 36 2HB GLN 36 7.660 -2.364 10.974 224 HG3 GLN 36 2HG GLN 36 5.114 -1.549 9.481 225 HE21 GLN 36 1HE2 GLN 36 4.235 0.544 10.373 226 HE22 GLN 36 2HE2 GLN 36 4.284 0.788 12.083 227 H ARG 37 H ARG 37 6.957 -5.576 8.320 228 HA ARG 37 HA ARG 37 9.531 -6.655 9.397 229 HB3 ARG 37 2HB ARG 37 8.335 -8.499 10.416 230 HG3 ARG 37 2HG ARG 37 7.042 -5.969 11.486 231 HD3 ARG 37 2HD ARG 37 8.228 -8.449 12.796 232 HE ARG 37 HE ARG 37 7.996 -7.095 14.619 233 HH11 ARG 37 1HH1 ARG 37 5.063 -6.818 12.681 234 HH12 ARG 37 2HH1 ARG 37 4.131 -6.058 13.943 235 HH21 ARG 37 1HH2 ARG 37 6.613 -6.454 16.432 236 HH22 ARG 37 2HH2 ARG 37 4.965 -6.105 16.089 237 H ILE 38 H ILE 38 8.016 -6.149 6.718 238 HA ILE 38 HA ILE 38 8.263 -8.906 5.545 239 HB ILE 38 HB ILE 38 6.103 -6.863 5.118 240 HG13 ILE 38 2HG1 ILE 38 4.525 -8.224 6.157 241 HG21 ILE 38 1HG2 ILE 38 6.404 -8.016 3.033 242 HG22 ILE 38 2HG2 ILE 38 6.387 -9.596 3.827 243 HG23 ILE 38 3HG2 ILE 38 4.917 -8.591 3.770 244 HD11 ILE 38 3HD1 ILE 38 6.577 -10.344 6.676 245 HD12 ILE 38 1HD1 ILE 38 4.998 -10.217 7.481 246 HD13 ILE 38 2HD1 ILE 38 5.045 -10.447 5.737 247 H ILE 39 H ILE 39 8.059 -5.383 4.888 248 HA ILE 39 HA ILE 39 9.125 -5.741 2.159 249 HB ILE 39 HB ILE 39 7.947 -3.342 3.641 250 HG13 ILE 39 2HG1 ILE 39 5.930 -3.617 2.404 251 HG21 ILE 39 1HG2 ILE 39 7.666 -2.340 1.332 252 HG22 ILE 39 2HG2 ILE 39 9.348 -2.511 1.852 253 HG23 ILE 39 3HG2 ILE 39 8.672 -3.658 0.699 254 HD11 ILE 39 3HD1 ILE 39 7.042 -6.186 1.254 255 HD12 ILE 39 1HD1 ILE 39 5.364 -5.648 1.147 256 HD13 ILE 39 2HD1 ILE 39 6.626 -4.730 0.309 257 H GLY 40 H GLY 40 10.177 -4.732 5.356 258 HA2 GLY 40 1HA GLY 40 12.393 -4.194 5.976 259 HA3 GLY 40 2HA GLY 40 12.826 -4.013 4.295 260 H TRP 41 H TRP 41 9.945 -2.273 4.751 261 HA TRP 41 HA TRP 41 11.473 0.133 4.272 262 HB3 TRP 41 2HB TRP 41 9.386 -0.551 3.075 263 HD1 TRP 41 HD TRP 41 8.384 -0.671 6.604 264 HE1 TRP 41 1HE TRP 41 5.895 -0.280 6.941 265 HE3 TRP 41 3HE TRP 41 7.039 0.754 1.811 266 HZ2 TRP 41 2HZ TRP 41 3.581 0.081 5.320 267 HZ3 TRP 41 3HZ TRP 41 4.657 0.973 1.258 268 HH2 TRP 41 HH TRP 41 2.906 0.653 2.997 269 H GLY 42 H GLY 42 11.378 -1.109 7.117 270 HA2 GLY 42 1HA GLY 42 11.378 -0.424 9.278 271 HA3 GLY 42 2HA GLY 42 11.804 1.183 8.688 272 H THR 43 H THR 43 10.355 2.758 9.055 273 HA THR 43 HA THR 43 7.479 2.308 9.070 274 HB THR 43 HB THR 43 7.792 1.053 11.052 275 HG1 THR 43 1HG THR 43 7.186 3.624 11.988 276 HG21 THR 43 3HG2 THR 43 10.020 1.619 11.725 277 HG22 THR 43 1HG2 THR 43 8.948 2.038 13.069 278 HG23 THR 43 2HG2 THR 43 9.568 3.311 11.964 279 H GLY 44 H GLY 44 7.986 4.181 7.618 280 HA2 GLY 44 1HA GLY 44 7.206 6.634 8.179 281 HA3 GLY 44 2HA GLY 44 8.727 6.666 9.047 282 H ALA 45 H ALA 45 10.059 7.764 7.913 283 HA ALA 45 HA ALA 45 9.983 7.801 4.911 284 HB1 ALA 45 1HB ALA 45 9.839 10.016 5.961 285 HB2 ALA 45 2HB ALA 45 11.331 9.708 6.869 286 HB3 ALA 45 3HB ALA 45 11.382 9.843 5.104 287 H GLU 46 H GLU 46 12.482 7.751 7.541 288 HA GLU 46 HA GLU 46 14.696 7.251 5.978 289 HB3 GLU 46 2HB GLU 46 15.255 5.936 8.351 290 HG3 GLU 46 2HG GLU 46 15.159 8.892 7.724 291 H GLY 47 H GLY 47 12.454 4.909 7.441 292 HA2 GLY 47 1HA GLY 47 14.030 2.574 7.081 293 HA3 GLY 47 2HA GLY 47 12.298 2.603 7.208 294 H ALA 48 H ALA 48 11.429 3.985 5.178 295 HA ALA 48 HA ALA 48 11.481 2.160 2.971 296 HB1 ALA 48 1HB ALA 48 10.216 4.926 3.271 297 HB2 ALA 48 2HB ALA 48 9.846 3.760 1.979 298 HB3 ALA 48 3HB ALA 48 9.429 3.393 3.659 299 H ARG 49 H ARG 49 13.413 5.045 3.692 300 HA ARG 49 HA ARG 49 14.172 5.483 0.885 301 HB3 ARG 49 2HB ARG 49 15.425 6.287 3.578 302 HG3 ARG 49 2HG ARG 49 15.966 7.822 1.040 303 HD3 ARG 49 2HD ARG 49 17.775 7.584 3.458 304 HE ARG 49 HE ARG 49 17.132 10.223 2.580 305 HH11 ARG 49 1HH1 ARG 49 19.290 7.519 1.553 306 HH12 ARG 49 2HH1 ARG 49 20.492 8.631 1.032 307 HH21 ARG 49 1HH2 ARG 49 18.661 11.583 1.678 308 HH22 ARG 49 2HH2 ARG 49 20.087 10.941 0.957 309 H GLN 50 H GLN 50 15.680 3.950 3.791 310 HA GLN 50 HA GLN 50 18.117 3.344 2.419 311 HB3 GLN 50 2HB GLN 50 18.463 1.901 4.537 312 HG3 GLN 50 2HG GLN 50 17.999 4.882 4.494 313 HE21 GLN 50 1HE2 GLN 50 16.500 4.967 6.252 314 HE22 GLN 50 2HE2 GLN 50 17.047 4.765 7.904 315 H ARG 51 H ARG 51 15.046 1.651 2.635 316 HA ARG 51 HA ARG 51 16.346 -0.718 1.418 317 HB3 ARG 51 2HB ARG 51 13.887 -1.607 1.703 318 HG3 ARG 51 2HG ARG 51 15.836 -2.481 2.933 319 HD3 ARG 51 2HD ARG 51 15.273 -0.193 4.795 320 HE ARG 51 HE ARG 51 14.744 -1.968 6.186 321 HH11 ARG 51 1HH1 ARG 51 18.005 -2.822 5.048 322 HH12 ARG 51 2HH1 ARG 51 18.642 -3.007 6.670 323 HH21 ARG 51 1HH2 ARG 51 15.373 -3.201 7.980 324 HH22 ARG 51 2HH2 ARG 51 17.011 -3.722 8.170 325 H LEU 52 H LEU 52 15.060 2.118 0.226 326 HA LEU 52 HA LEU 52 13.658 0.820 -2.013 327 HB3 LEU 52 2HB LEU 52 14.296 3.680 -1.315 328 HG LEU 52 HG LEU 52 12.131 3.751 -2.901 329 HD11 LEU 52 1HD1 LEU 52 14.599 4.523 -4.268 330 HD12 LEU 52 2HD1 LEU 52 13.812 5.442 -2.940 331 HD13 LEU 52 3HD1 LEU 52 12.944 5.112 -4.442 332 HD21 LEU 52 3HD2 LEU 52 12.593 1.432 -3.882 333 HD22 LEU 52 1HD2 LEU 52 13.856 2.240 -4.819 334 HD23 LEU 52 2HD2 LEU 52 12.175 2.747 -4.980 335 H GLU 53 H GLU 53 16.381 3.229 -1.752 336 HA GLU 53 HA GLU 53 16.239 3.081 -4.513 337 HB3 GLU 53 2HB GLU 53 17.819 4.814 -4.712 338 HG3 GLU 53 2HG GLU 53 17.278 5.339 -1.766 339 H ASN 54 H ASN 54 17.732 1.018 -2.482 340 HA ASN 54 HA ASN 54 19.687 0.004 -4.395 341 HB3 ASN 54 2HB ASN 54 20.908 0.778 -2.539 342 HD21 ASN 54 1HD2 ASN 54 17.973 -0.966 -1.102 343 HD22 ASN 54 2HD2 ASN 54 17.942 0.217 0.200 344 H ILE 55 H ILE 55 16.734 -0.673 -4.130 345 HA ILE 55 HA ILE 55 16.422 -3.199 -2.925 346 HB ILE 55 HB ILE 55 14.663 -1.586 -3.993 347 HG13 ILE 55 2HG1 ILE 55 14.459 -4.618 -4.104 348 HG21 ILE 55 1HG2 ILE 55 15.633 -1.639 -6.304 349 HG22 ILE 55 2HG2 ILE 55 15.119 -3.332 -6.434 350 HG23 ILE 55 3HG2 ILE 55 13.906 -2.072 -6.228 351 HD11 ILE 55 3HD1 ILE 55 14.542 -3.524 -1.860 352 HD12 ILE 55 1HD1 ILE 55 13.206 -2.464 -2.349 353 HD13 ILE 55 2HD1 ILE 55 12.948 -4.205 -2.202 354 H GLN 56 H GLN 56 16.131 -5.321 -4.121 355 HA GLN 56 HA GLN 56 18.045 -5.654 -6.336 356 HB3 GLN 56 2HB GLN 56 18.376 -8.002 -4.997 357 HG3 GLN 56 2HG GLN 56 19.923 -5.534 -5.276 358 HE21 GLN 56 1HE2 GLN 56 19.602 -4.592 -2.923 359 HE22 GLN 56 2HE2 GLN 56 20.799 -5.228 -1.813 360 HA PRO 57 HA PRO 57 14.939 -8.086 -8.214 361 HB3 PRO 57 2HB PRO 57 16.338 -8.351 -9.967 362 HG3 PRO 57 2HG PRO 57 18.706 -8.737 -9.639 363 HD3 PRO 57 2HD PRO 57 18.094 -6.771 -8.455 364 H ALA 58 H ALA 58 16.700 -9.474 -5.611 365 HA ALA 58 HA ALA 58 14.888 -11.855 -5.534 366 HB1 ALA 58 1HB ALA 58 17.363 -12.157 -5.250 367 HB2 ALA 58 2HB ALA 58 17.236 -11.223 -3.735 368 HB3 ALA 58 3HB ALA 58 16.366 -12.755 -3.897 369 H ASP 59 H ASP 59 15.377 -8.675 -4.047 370 HA ASP 59 HA ASP 59 14.215 -9.263 -1.474 371 HB3 ASP 59 2HB ASP 59 13.763 -6.669 -1.668 372 H VAL 60 H VAL 60 12.794 -8.695 -4.609 373 HA VAL 60 HA VAL 60 10.150 -8.075 -3.537 374 HB VAL 60 HB VAL 60 11.151 -8.923 -6.245 375 HG11 VAL 60 1HG1 VAL 60 8.392 -7.968 -5.374 376 HG12 VAL 60 2HG1 VAL 60 8.918 -7.904 -7.054 377 HG13 VAL 60 3HG1 VAL 60 8.793 -9.462 -6.233 378 HG21 VAL 60 3HG2 VAL 60 12.100 -6.814 -5.774 379 HG22 VAL 60 1HG2 VAL 60 10.672 -6.460 -6.756 380 HG23 VAL 60 2HG2 VAL 60 10.611 -6.217 -5.008 381 H SER 61 H SER 61 11.826 -11.062 -4.746 382 HA SER 61 HA SER 61 9.588 -12.623 -4.880 383 HB3 SER 61 2HB SER 61 11.304 -14.578 -4.317 384 HG SER 61 HG SER 61 11.694 -12.826 -6.510 385 H MET 62 H MET 62 11.354 -11.917 -2.109 386 HA MET 62 HA MET 62 10.481 -13.878 -0.268 387 HB3 MET 62 2HB MET 62 12.425 -12.336 -0.003 388 HG3 MET 62 2HG MET 62 10.502 -10.441 1.322 389 HE1 MET 62 3HE MET 62 13.470 -11.854 2.289 390 HE2 MET 62 1HE MET 62 14.072 -10.420 3.148 391 HE3 MET 62 2HE MET 62 12.364 -10.888 3.295 392 H ILE 63 H ILE 63 9.031 -10.764 -1.223 393 HA ILE 63 HA ILE 63 7.185 -10.781 0.924 394 HB ILE 63 HB ILE 63 7.184 -9.330 -1.720 395 HG13 ILE 63 2HG1 ILE 63 9.188 -8.910 -0.211 396 HG21 ILE 63 1HG2 ILE 63 4.897 -9.342 -0.458 397 HG22 ILE 63 2HG2 ILE 63 5.706 -8.450 0.822 398 HG23 ILE 63 3HG2 ILE 63 5.553 -7.758 -0.809 399 HD11 ILE 63 3HD1 ILE 63 8.688 -7.374 -1.965 400 HD12 ILE 63 1HD1 ILE 63 7.396 -6.606 -1.036 401 HD13 ILE 63 2HD1 ILE 63 9.071 -6.460 -0.483 402 H LYS 64 H LYS 64 7.038 -12.312 -2.209 403 HA LYS 64 HA LYS 64 4.222 -12.933 -2.102 404 HB3 LYS 64 2HB LYS 64 4.715 -14.735 -3.662 405 HG3 LYS 64 2HG LYS 64 5.015 -12.038 -4.071 406 HD3 LYS 64 2HD LYS 64 7.473 -12.353 -4.378 407 HE3 LYS 64 2HE LYS 64 8.218 -13.174 -6.628 408 HZ1 LYS 64 3HZ LYS 64 8.316 -14.832 -4.803 409 HZ2 LYS 64 1HZ LYS 64 8.059 -15.518 -6.301 410 HZ3 LYS 64 2HZ LYS 64 6.830 -15.401 -5.282 411 H LYS 65 H LYS 65 7.135 -14.451 -0.670 412 HA LYS 65 HA LYS 65 5.784 -16.860 0.107 413 HB3 LYS 65 2HB LYS 65 7.808 -17.010 1.738 414 HG3 LYS 65 2HG LYS 65 7.727 -17.889 -0.782 415 HD3 LYS 65 2HD LYS 65 8.801 -15.524 -1.332 416 HE3 LYS 65 2HE LYS 65 10.753 -15.780 0.171 417 HZ1 LYS 65 3HZ LYS 65 11.496 -17.969 -0.023 418 HZ2 LYS 65 1HZ LYS 65 12.606 -17.026 -0.777 419 HZ3 LYS 65 2HZ LYS 65 11.605 -17.918 -1.689 420 H GLN 66 H GLN 66 5.738 -13.636 1.365 421 HA GLN 66 HA GLN 66 4.971 -14.526 4.050 422 HB3 GLN 66 2HB GLN 66 4.621 -11.915 4.143 423 HG3 GLN 66 2HG GLN 66 6.433 -13.330 5.278 424 HE21 GLN 66 1HE2 GLN 66 8.519 -11.137 3.580 425 HE22 GLN 66 2HE2 GLN 66 9.499 -12.360 2.778 426 H GLY 67 H GLY 67 3.340 -14.362 1.116 427 HA2 GLY 67 1HA GLY 67 1.043 -14.959 0.977 428 HA3 GLY 67 2HA GLY 67 0.743 -14.179 2.533 429 H THR 68 H THR 68 2.140 -13.131 -0.640 430 HA THR 68 HA THR 68 0.112 -10.932 -0.633 431 HB THR 68 HB THR 68 3.085 -10.642 -1.217 432 HG1 THR 68 1HG THR 68 1.744 -10.824 1.096 433 HG21 THR 68 3HG2 THR 68 2.616 -8.203 -0.784 434 HG22 THR 68 1HG2 THR 68 0.881 -8.575 -0.821 435 HG23 THR 68 2HG2 THR 68 1.896 -8.811 -2.272 436 H THR 69 H THR 69 -0.142 -9.816 -2.790 437 HA THR 69 HA THR 69 0.701 -11.295 -5.169 438 HB THR 69 HB THR 69 -1.599 -10.880 -6.113 439 HG1 THR 69 1HG THR 69 -3.272 -10.461 -4.707 440 HG21 THR 69 3HG2 THR 69 -2.628 -12.834 -5.087 441 HG22 THR 69 1HG2 THR 69 -1.506 -12.758 -3.718 442 HG23 THR 69 2HG2 THR 69 -0.881 -13.100 -5.351 443 H LEU 70 H LEU 70 0.317 -9.775 -7.185 444 HA LEU 70 HA LEU 70 1.610 -7.336 -6.663 445 HB3 LEU 70 2HB LEU 70 0.044 -8.298 -9.104 446 HG LEU 70 HG LEU 70 0.552 -5.870 -9.340 447 HD11 LEU 70 1HD1 LEU 70 2.948 -5.189 -9.459 448 HD12 LEU 70 2HD1 LEU 70 3.407 -6.728 -8.717 449 HD13 LEU 70 3HD1 LEU 70 2.415 -5.556 -7.816 450 HD21 LEU 70 3HD2 LEU 70 0.694 -7.358 -11.304 451 HD22 LEU 70 1HD2 LEU 70 2.386 -7.731 -10.924 452 HD23 LEU 70 2HD2 LEU 70 1.925 -6.090 -11.400 453 H GLU 71 H GLU 71 -1.807 -8.156 -6.912 454 HA GLU 71 HA GLU 71 -3.001 -5.614 -7.123 455 HB3 GLU 71 2HB GLU 71 -4.754 -6.826 -5.598 456 HG3 GLU 71 2HG GLU 71 -4.612 -8.647 -7.852 457 H MET 72 H MET 72 -1.430 -7.134 -4.307 458 HA MET 72 HA MET 72 -2.612 -5.266 -2.389 459 HB3 MET 72 2HB MET 72 -0.081 -6.344 -1.497 460 HG3 MET 72 2HG MET 72 -2.083 -5.851 -0.087 461 HE1 MET 72 3HE MET 72 -2.405 -9.792 -0.335 462 HE2 MET 72 1HE MET 72 -3.803 -9.968 -1.425 463 HE3 MET 72 2HE MET 72 -2.291 -9.288 -2.035 464 H ILE 73 H ILE 73 0.526 -5.654 -4.086 465 HA ILE 73 HA ILE 73 1.797 -3.479 -2.777 466 HB ILE 73 HB ILE 73 2.416 -4.762 -5.473 467 HG13 ILE 73 2HG1 ILE 73 4.034 -6.139 -4.191 468 HG21 ILE 73 1HG2 ILE 73 3.639 -2.664 -5.222 469 HG22 ILE 73 2HG2 ILE 73 4.249 -3.164 -3.637 470 HG23 ILE 73 3HG2 ILE 73 4.730 -4.031 -5.110 471 HD11 ILE 73 3HD1 ILE 73 3.779 -6.523 -1.816 472 HD12 ILE 73 1HD1 ILE 73 4.162 -4.813 -2.052 473 HD13 ILE 73 2HD1 ILE 73 2.483 -5.314 -1.702 474 H THR 74 H THR 74 0.136 -3.676 -5.926 475 HA THR 74 HA THR 74 0.554 -1.007 -6.713 476 HB THR 74 HB THR 74 -1.540 -1.477 -8.117 477 HG1 THR 74 1HG THR 74 -1.174 -4.136 -7.265 478 HG21 THR 74 3HG2 THR 74 0.772 -3.485 -8.211 479 HG22 THR 74 1HG2 THR 74 0.751 -1.878 -8.948 480 HG23 THR 74 2HG2 THR 74 -0.367 -3.140 -9.524 481 H ALA 75 H ALA 75 -2.018 -2.478 -4.652 482 HA ALA 75 HA ALA 75 -3.616 -0.105 -4.615 483 HB1 ALA 75 1HB ALA 75 -3.487 -2.319 -2.521 484 HB2 ALA 75 2HB ALA 75 -4.800 -1.144 -2.765 485 HB3 ALA 75 3HB ALA 75 -4.471 -2.355 -4.008 486 H TRP 76 H TRP 76 -0.752 -0.989 -2.792 487 HA TRP 76 HA TRP 76 -1.167 1.259 -0.906 488 HB3 TRP 76 2HB TRP 76 0.980 0.393 0.122 489 HD1 TRP 76 HD TRP 76 -1.116 -2.725 -0.400 490 HE1 TRP 76 1HE TRP 76 -2.833 -3.000 1.447 491 HE3 TRP 76 3HE TRP 76 -0.373 1.692 2.048 492 HZ2 TRP 76 2HZ TRP 76 -3.636 -1.619 3.832 493 HZ3 TRP 76 3HZ TRP 76 -1.651 2.209 4.101 494 HH2 TRP 76 HH TRP 76 -3.291 0.522 5.009 495 H GLN 77 H GLN 77 0.964 0.602 -3.877 496 HA GLN 77 HA GLN 77 2.729 2.676 -3.109 497 HB3 GLN 77 2HB GLN 77 3.113 0.889 -4.835 498 HG3 GLN 77 2HG GLN 77 1.571 2.563 -6.720 499 HE21 GLN 77 1HE2 GLN 77 3.069 2.887 -8.194 500 HE22 GLN 77 2HE2 GLN 77 3.899 1.551 -9.048 501 H ASP 78 H ASP 78 -0.183 2.458 -5.221 502 HA ASP 78 HA ASP 78 -0.235 5.048 -6.173 503 HB3 ASP 78 2HB ASP 78 -2.845 4.200 -6.235 504 H PHE 79 H PHE 79 -1.447 3.650 -3.226 505 HA PHE 79 HA PHE 79 -3.118 5.761 -2.277 506 HB3 PHE 79 2HB PHE 79 -1.335 3.840 -0.730 507 HD1 PHE 79 1HD PHE 79 -4.902 4.800 -0.242 508 HD2 PHE 79 2HD PHE 79 -0.861 5.152 1.220 509 HE1 PHE 79 1HE PHE 79 -5.748 5.798 1.857 510 HE2 PHE 79 2HE PHE 79 -1.709 6.198 3.303 511 HZ PHE 79 HZ PHE 79 -4.150 6.522 3.629 512 H TYR 80 H TYR 80 0.390 5.134 -1.729 513 HA TYR 80 HA TYR 80 0.709 7.683 -0.408 514 HB3 TYR 80 2HB TYR 80 3.110 7.102 -0.459 515 HD1 TYR 80 1HD TYR 80 1.498 7.264 1.823 516 HD2 TYR 80 2HD TYR 80 2.771 3.709 -0.234 517 HE1 TYR 80 1HE TYR 80 0.927 5.935 3.809 518 HE2 TYR 80 2HE TYR 80 2.171 2.345 1.737 519 HH TYR 80 HH TYR 80 0.689 3.733 4.688 520 H GLU 81 H GLU 81 0.940 6.663 -3.799 521 HA GLU 81 HA GLU 81 2.492 8.842 -4.814 522 HB3 GLU 81 2HB GLU 81 1.264 8.411 -6.958 523 HG3 GLU 81 2HG GLU 81 2.526 6.073 -5.478 524 H GLN 82 H GLN 82 -0.954 8.625 -4.009 525 HA GLN 82 HA GLN 82 -1.580 11.228 -5.099 526 HB3 GLN 82 2HB GLN 82 -3.672 11.094 -3.723 527 HG3 GLN 82 2HG GLN 82 -4.730 9.329 -4.895 528 HE21 GLN 82 1HE2 GLN 82 -2.648 8.471 -7.281 529 HE22 GLN 82 2HE2 GLN 82 -2.637 9.923 -8.264 530 H GLU 83 H GLU 83 -0.060 10.312 -2.115 531 HA GLU 83 HA GLU 83 -0.809 12.666 -0.594 532 HB3 GLU 83 2HB GLU 83 0.944 11.940 0.927 533 HG3 GLU 83 2HG GLU 83 0.593 9.414 1.143 534 H GLN 84 H GLN 84 1.761 11.701 -2.869 535 HA GLN 84 HA GLN 84 3.507 13.914 -2.235 536 HB3 GLN 84 2HB GLN 84 4.565 13.242 -4.494 537 HG3 GLN 84 2HG GLN 84 4.313 11.543 -2.035 538 HE21 GLN 84 1HE2 GLN 84 3.567 9.499 -2.789 539 HE22 GLN 84 2HE2 GLN 84 4.624 8.528 -3.804 540 H GLN 85 H GLN 85 1.273 13.209 -4.964 541 HA GLN 85 HA GLN 85 1.854 15.587 -6.281 542 HB3 GLN 85 2HB GLN 85 0.813 13.756 -7.419 543 HG3 GLN 85 2HG GLN 85 -0.886 13.150 -5.600 544 HE21 GLN 85 1HE2 GLN 85 -3.496 12.931 -5.874 545 HE22 GLN 85 2HE2 GLN 85 -4.326 14.448 -5.750 546 H ARG 86 H ARG 86 -0.659 15.061 -3.809 547 HA ARG 86 HA ARG 86 -1.673 17.733 -4.108 548 HB3 ARG 86 2HB ARG 86 -2.987 15.839 -3.159 549 HG3 ARG 86 2HG ARG 86 -1.315 16.361 -0.686 550 HD3 ARG 86 2HD ARG 86 -3.434 14.255 -0.957 551 HE ARG 86 HE ARG 86 -1.625 15.288 1.140 552 HH11 ARG 86 1HH1 ARG 86 -4.686 13.557 0.740 553 HH12 ARG 86 2HH1 ARG 86 -4.319 12.372 1.968 554 HH21 ARG 86 1HH2 ARG 86 -1.123 13.696 2.754 555 HH22 ARG 86 2HH2 ARG 86 -2.186 12.364 2.958 556 H ASN 87 H ASN 87 0.904 16.318 -1.973 557 HA ASN 87 HA ASN 87 1.630 19.019 -1.179 558 HB3 ASN 87 2HB ASN 87 0.097 18.599 0.473 559 HD21 ASN 87 1HD2 ASN 87 2.146 15.642 0.543 560 HD22 ASN 87 2HD2 ASN 87 1.126 14.745 1.627 561 H GLU 88 H GLU 88 3.492 18.989 -2.207 562 HA GLU 88 HA GLU 88 5.227 16.852 -2.601 563 HB3 GLU 88 2HB GLU 88 6.892 18.821 -3.085 564 HG3 GLU 88 2HG GLU 88 5.292 19.767 -4.907 565 H ASN 89 H ASN 89 4.724 18.011 0.464 566 HA ASN 89 HA ASN 89 7.601 17.931 1.306 567 HB3 ASN 89 2HB ASN 89 6.934 19.230 3.244 568 HD21 ASN 89 1HD2 ASN 89 4.594 21.094 1.759 569 HD22 ASN 89 2HD2 ASN 89 5.586 22.079 0.733 570 H ASN 90 H ASN 90 6.240 15.415 0.839 571 HA ASN 90 HA ASN 90 5.690 14.481 3.606 572 HB3 ASN 90 2HB ASN 90 4.044 13.645 1.176 573 HD21 ASN 90 1HD2 ASN 90 4.469 13.417 4.776 574 HD22 ASN 90 2HD2 ASN 90 2.794 12.958 5.006 575 HA PRO 91 HA PRO 91 8.806 12.116 1.208 576 HB3 PRO 91 2HB PRO 91 10.525 13.287 2.229 577 HG3 PRO 91 2HG PRO 91 10.233 14.170 4.433 578 HD3 PRO 91 2HD PRO 91 8.483 14.962 3.162 579 H THR 92 H THR 92 7.355 11.365 4.407 580 HA THR 92 HA THR 92 7.996 8.638 4.654 581 HB THR 92 HB THR 92 5.424 10.130 5.330 582 HG1 THR 92 1HG THR 92 6.629 9.809 7.506 583 HG21 THR 92 3HG2 THR 92 6.376 7.402 6.249 584 HG22 THR 92 1HG2 THR 92 4.895 7.803 5.376 585 HG23 THR 92 2HG2 THR 92 5.080 8.339 7.042 586 H ALA 93 H ALA 93 5.053 10.059 3.083 587 HA ALA 93 HA ALA 93 4.239 7.628 1.879 588 HB1 ALA 93 1HB ALA 93 2.866 9.162 0.458 589 HB2 ALA 93 2HB ALA 93 2.743 9.568 2.178 590 HB3 ALA 93 3HB ALA 93 3.750 10.556 1.095 591 H LYS 94 H LYS 94 6.234 10.369 0.612 592 HA LYS 94 HA LYS 94 6.562 9.419 -1.964 593 HB3 LYS 94 2HB LYS 94 8.765 10.745 -0.351 594 HG3 LYS 94 2HG LYS 94 8.270 10.261 -3.263 595 HD3 LYS 94 2HD LYS 94 8.129 12.635 -3.123 596 HE3 LYS 94 2HE LYS 94 10.929 12.706 -1.940 597 HZ1 LYS 94 3HZ LYS 94 10.464 14.568 -3.399 598 HZ2 LYS 94 1HZ LYS 94 10.417 15.084 -1.866 599 HZ3 LYS 94 2HZ LYS 94 9.005 14.839 -2.689 600 H TYR 95 H TYR 95 8.791 8.502 0.705 601 HA TYR 95 HA TYR 95 10.260 6.747 -0.996 602 HB3 TYR 95 2HB TYR 95 11.062 5.777 1.170 603 HD1 TYR 95 2HD TYR 95 12.564 7.017 -0.723 604 HD2 TYR 95 1HD TYR 95 10.999 8.810 2.888 605 HE1 TYR 95 2HE TYR 95 14.410 8.627 -0.731 606 HE2 TYR 95 1HE TYR 95 12.866 10.404 2.921 607 HH TYR 95 HH TYR 95 14.596 11.279 1.642 608 H ARG 96 H ARG 96 7.383 6.103 1.119 609 HA ARG 96 HA ARG 96 7.379 3.277 0.709 610 HB3 ARG 96 2HB ARG 96 4.928 3.453 1.194 611 HG3 ARG 96 2HG ARG 96 6.528 5.178 3.075 612 HD3 ARG 96 2HD ARG 96 4.089 3.473 3.530 613 HE ARG 96 HE ARG 96 5.799 3.892 5.462 614 HH11 ARG 96 1HH1 ARG 96 2.918 5.974 4.875 615 HH12 ARG 96 2HH1 ARG 96 2.588 6.096 6.573 616 HH21 ARG 96 1HH2 ARG 96 5.286 4.201 7.701 617 HH22 ARG 96 2HH2 ARG 96 3.882 5.154 8.094 618 H ALA 97 H ALA 97 5.787 5.892 -1.236 619 HA ALA 97 HA ALA 97 4.484 4.187 -3.110 620 HB1 ALA 97 1HB ALA 97 4.640 6.187 -4.605 621 HB2 ALA 97 2HB ALA 97 3.969 6.574 -3.016 622 HB3 ALA 97 3HB ALA 97 5.662 6.986 -3.396 623 H ARG 98 H ARG 98 7.648 5.935 -3.344 624 HA ARG 98 HA ARG 98 8.364 4.934 -5.804 625 HB3 ARG 98 2HB ARG 98 10.483 5.511 -3.700 626 HG3 ARG 98 2HG ARG 98 9.937 6.467 -6.542 627 HD3 ARG 98 2HD ARG 98 12.133 7.321 -4.596 628 HE ARG 98 HE ARG 98 13.046 7.811 -6.654 629 HH11 ARG 98 1HH1 ARG 98 9.804 9.424 -6.417 630 HH12 ARG 98 2HH1 ARG 98 10.181 10.535 -7.659 631 HH21 ARG 98 1HH2 ARG 98 13.199 8.990 -8.647 632 HH22 ARG 98 2HH2 ARG 98 12.218 10.415 -8.782 633 H LEU 99 H LEU 99 8.834 3.467 -2.617 634 HA LEU 99 HA LEU 99 10.484 1.276 -3.472 635 HB3 LEU 99 2HB LEU 99 8.746 1.780 -1.035 636 HG LEU 99 HG LEU 99 8.976 -0.585 -0.981 637 HD11 LEU 99 1HD1 LEU 99 10.698 -1.000 -2.694 638 HD12 LEU 99 2HD1 LEU 99 11.160 -1.752 -1.173 639 HD13 LEU 99 3HD1 LEU 99 11.927 -0.238 -1.666 640 HD21 LEU 99 3HD2 LEU 99 9.522 0.648 1.071 641 HD22 LEU 99 1HD2 LEU 99 11.233 0.751 0.589 642 HD23 LEU 99 2HD2 LEU 99 10.520 -0.825 0.961 643 H MET 100 H MET 100 6.958 1.408 -2.625 644 HA MET 100 HA MET 100 6.465 -1.273 -3.389 645 HB3 MET 100 2HB MET 100 4.070 -0.602 -3.382 646 HG3 MET 100 2HG MET 100 3.900 0.225 -1.081 647 HE1 MET 100 3HE MET 100 3.682 -3.355 -0.134 648 HE2 MET 100 1HE MET 100 3.152 -1.716 0.300 649 HE3 MET 100 2HE MET 100 3.042 -2.267 -1.390 650 H LYS 101 H LYS 101 6.015 1.739 -5.379 651 HA LYS 101 HA LYS 101 5.449 0.744 -7.853 652 HB3 LYS 101 2HB LYS 101 7.550 2.783 -6.998 653 HG3 LYS 101 2HG LYS 101 7.786 2.227 -9.461 654 HD3 LYS 101 2HD LYS 101 5.032 3.536 -9.499 655 HE3 LYS 101 2HE LYS 101 6.976 2.991 -11.770 656 HZ1 LYS 101 3HZ LYS 101 4.173 3.934 -11.808 657 HZ2 LYS 101 1HZ LYS 101 4.744 2.502 -12.385 658 HZ3 LYS 101 2HZ LYS 101 5.191 3.887 -13.130 659 H LYS 102 H LYS 102 8.842 0.789 -6.573 660 HA LYS 102 HA LYS 102 9.858 -0.626 -8.853 661 HB3 LYS 102 2HB LYS 102 11.718 -1.178 -7.212 662 HG3 LYS 102 2HG LYS 102 11.390 1.795 -7.304 663 HD3 LYS 102 2HD LYS 102 13.507 0.379 -6.760 664 HE3 LYS 102 2HE LYS 102 13.296 -1.088 -8.851 665 HZ1 LYS 102 3HZ LYS 102 12.880 0.520 -10.590 666 HZ2 LYS 102 1HZ LYS 102 14.393 -0.068 -10.804 667 HZ3 LYS 102 2HZ LYS 102 14.175 1.423 -10.156 668 H ILE 103 H ILE 103 8.364 -1.810 -5.817 669 HA ILE 103 HA ILE 103 9.275 -4.525 -6.189 670 HB ILE 103 HB ILE 103 7.006 -3.291 -4.575 671 HG13 ILE 103 2HG1 ILE 103 9.408 -2.710 -3.954 672 HG21 ILE 103 1HG2 ILE 103 6.703 -5.354 -3.407 673 HG22 ILE 103 2HG2 ILE 103 6.577 -5.733 -5.119 674 HG23 ILE 103 3HG2 ILE 103 8.080 -6.103 -4.243 675 HD11 ILE 103 3HD1 ILE 103 7.698 -2.683 -2.171 676 HD12 ILE 103 1HD1 ILE 103 8.028 -4.400 -1.843 677 HD13 ILE 103 2HD1 ILE 103 9.292 -3.194 -1.595 678 H ALA 104 H ALA 104 6.368 -2.673 -7.232 679 HA ALA 104 HA ALA 104 5.185 -4.902 -8.653 680 HB1 ALA 104 1HB ALA 104 3.847 -2.995 -7.820 681 HB2 ALA 104 2HB ALA 104 4.787 -1.867 -8.825 682 HB3 ALA 104 3HB ALA 104 3.739 -3.071 -9.585 683 H ASP 105 H ASP 105 7.884 -3.008 -9.383 684 HA ASP 105 HA ASP 105 7.622 -3.081 -12.346 685 HB3 ASP 105 2HB ASP 105 9.978 -2.272 -10.588 686 H LEU 106 H LEU 106 9.750 -4.240 -9.794 687 HA LEU 106 HA LEU 106 10.987 -6.350 -11.384 688 HB3 LEU 106 2HB LEU 106 12.297 -6.598 -9.242 689 HG LEU 106 HG LEU 106 12.124 -3.792 -10.332 690 HD11 LEU 106 1HD1 LEU 106 14.092 -3.312 -8.891 691 HD12 LEU 106 2HD1 LEU 106 13.873 -4.885 -8.096 692 HD13 LEU 106 3HD1 LEU 106 12.609 -3.653 -7.956 693 HD21 LEU 106 3HD2 LEU 106 13.209 -5.553 -11.716 694 HD22 LEU 106 1HD2 LEU 106 14.338 -5.909 -10.366 695 HD23 LEU 106 2HD2 LEU 106 14.364 -4.325 -11.172 696 H TRP 107 H TRP 107 8.088 -6.491 -10.769 697 HA TRP 107 HA TRP 107 7.755 -8.661 -8.878 698 HB3 TRP 107 2HB TRP 107 5.814 -8.032 -11.119 699 HD1 TRP 107 HD TRP 107 3.824 -9.784 -10.840 700 HE1 TRP 107 1HE TRP 107 2.605 -10.846 -8.992 701 HE3 TRP 107 3HE TRP 107 6.248 -7.522 -6.981 702 HZ2 TRP 107 2HZ TRP 107 2.639 -10.804 -6.003 703 HZ3 TRP 107 3HZ TRP 107 5.363 -7.792 -4.659 704 HH2 TRP 107 HH TRP 107 3.434 -9.353 -4.225 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -13.456 1.703 8.114 2 HA2 GLY 1 1HA GLY 1 -13.064 2.284 10.508 3 HA3 GLY 1 2HA GLY 1 -11.496 2.941 9.971 4 H THR 2 H THR 2 -14.039 4.311 11.142 5 HA THR 2 HA THR 2 -15.627 5.746 10.693 6 HB THR 2 HB THR 2 -13.745 7.131 10.890 7 HG1 THR 2 1HG THR 2 -15.262 8.390 8.916 8 HG21 THR 2 3HG2 THR 2 -12.719 8.366 9.003 9 HG22 THR 2 1HG2 THR 2 -13.384 7.140 7.899 10 HG23 THR 2 2HG2 THR 2 -12.221 6.685 9.159 11 H ASP 3 H ASP 3 -16.018 3.474 9.493 12 HA ASP 3 HA ASP 3 -17.203 4.029 6.807 13 HB3 ASP 3 2HB ASP 3 -17.597 1.470 6.963 14 H PHE 4 H PHE 4 -19.243 4.780 7.131 15 HA PHE 4 HA PHE 4 -21.111 3.185 8.618 16 HB3 PHE 4 2HB PHE 4 -20.421 4.646 10.448 17 HD1 PHE 4 1HD PHE 4 -18.499 6.179 9.849 18 HD2 PHE 4 2HD PHE 4 -22.614 7.222 9.079 19 HE1 PHE 4 1HE PHE 4 -17.837 8.544 9.515 20 HE2 PHE 4 2HE PHE 4 -21.945 9.583 8.746 21 HZ PHE 4 HZ PHE 4 -19.563 10.253 8.970 22 H GLY 5 H GLY 5 -23.251 3.599 7.903 23 HA2 GLY 5 1HA GLY 5 -24.907 4.568 6.473 24 HA3 GLY 5 2HA GLY 5 -23.644 5.425 5.579 25 H THR 6 H THR 6 -25.233 2.315 6.077 26 HA THR 6 HA THR 6 -24.536 1.630 3.303 27 HB THR 6 HB THR 6 -22.800 0.592 4.759 28 HG1 THR 6 1HG THR 6 -23.349 -0.409 2.774 29 HG21 THR 6 3HG2 THR 6 -23.326 -1.322 6.156 30 HG22 THR 6 1HG2 THR 6 -25.055 -1.161 5.815 31 HG23 THR 6 2HG2 THR 6 -24.212 0.087 6.755 32 H THR 7 H THR 7 -26.938 2.179 5.527 33 HA THR 7 HA THR 7 -28.384 -0.119 5.766 34 HB THR 7 HB THR 7 -29.742 2.569 5.744 35 HG1 THR 7 1HG THR 7 -28.495 3.486 7.085 36 HG21 THR 7 3HG2 THR 7 -29.542 0.373 7.858 37 HG22 THR 7 1HG2 THR 7 -30.889 0.619 6.731 38 HG23 THR 7 2HG2 THR 7 -30.548 1.844 7.959 39 H ASN 8 H ASN 8 -28.198 1.755 2.927 40 HA ASN 8 HA ASN 8 -30.852 0.866 1.898 41 HB3 ASN 8 2HB ASN 8 -30.981 3.191 2.669 42 HD21 ASN 8 1HD2 ASN 8 -28.978 3.471 -0.330 43 HD22 ASN 8 2HD2 ASN 8 -27.950 4.751 0.272 44 H ASN 9 H ASN 9 -28.236 -0.384 1.516 45 HA ASN 9 HA ASN 9 -27.544 0.362 -1.274 46 HB3 ASN 9 2HB ASN 9 -25.505 -0.526 0.784 47 HD21 ASN 9 1HD2 ASN 9 -24.635 -1.678 -1.392 48 HD22 ASN 9 2HD2 ASN 9 -23.865 -0.575 -2.488 49 H PHE 10 H PHE 10 -28.144 -1.242 -2.446 50 HA PHE 10 HA PHE 10 -28.269 -4.031 -1.688 51 HB3 PHE 10 2HB PHE 10 -28.939 -4.353 -4.014 52 HD1 PHE 10 2HD PHE 10 -30.758 -4.767 -2.273 53 HD2 PHE 10 1HD PHE 10 -30.053 -0.896 -4.054 54 HE1 PHE 10 2HE PHE 10 -32.992 -4.008 -1.517 55 HE2 PHE 10 1HE PHE 10 -32.284 -0.143 -3.283 56 HZ PHE 10 HZ PHE 10 -33.762 -1.694 -2.017 57 H VAL 11 H VAL 11 -27.122 -5.321 -3.979 58 HA VAL 11 HA VAL 11 -24.203 -4.950 -3.508 59 HB VAL 11 HB VAL 11 -25.899 -7.448 -3.127 60 HG11 VAL 11 1HG1 VAL 11 -23.985 -8.186 -4.450 61 HG12 VAL 11 2HG1 VAL 11 -22.868 -7.277 -3.403 62 HG13 VAL 11 3HG1 VAL 11 -23.767 -8.688 -2.779 63 HG21 VAL 11 3HG2 VAL 11 -24.832 -7.534 -0.946 64 HG22 VAL 11 1HG2 VAL 11 -23.768 -6.167 -1.351 65 HG23 VAL 11 2HG2 VAL 11 -25.505 -5.913 -1.171 66 H SER 12 H SER 12 -23.819 -4.112 -5.557 67 HA SER 12 HA SER 12 -23.792 -6.006 -7.724 68 HB3 SER 12 2HB SER 12 -24.956 -4.027 -9.145 69 HG SER 12 HG SER 12 -27.005 -5.188 -8.612 70 HA PRO 13 HA PRO 13 -20.245 -3.502 -8.742 71 HB3 PRO 13 2HB PRO 13 -19.828 -4.921 -10.487 72 HG3 PRO 13 2HG PRO 13 -21.608 -5.661 -11.956 73 HD3 PRO 13 2HD PRO 13 -22.127 -6.255 -9.697 74 H ASN 14 H ASN 14 -21.365 -1.659 -7.806 75 HA ASN 14 HA ASN 14 -20.978 0.564 -9.525 76 HB3 ASN 14 2HB ASN 14 -23.844 0.521 -8.530 77 HD21 ASN 14 1HD2 ASN 14 -23.222 2.882 -8.171 78 HD22 ASN 14 2HD2 ASN 14 -23.358 3.891 -9.573 79 H LEU 15 H LEU 15 -19.591 1.315 -7.957 80 HA LEU 15 HA LEU 15 -20.839 2.507 -5.585 81 HB3 LEU 15 2HB LEU 15 -18.362 0.736 -5.306 82 HG LEU 15 HG LEU 15 -19.752 2.686 -3.438 83 HD11 LEU 15 1HD1 LEU 15 -20.025 0.476 -2.378 84 HD12 LEU 15 2HD1 LEU 15 -18.867 1.471 -1.485 85 HD13 LEU 15 3HD1 LEU 15 -18.286 0.167 -2.544 86 HD21 LEU 15 3HD2 LEU 15 -17.555 3.427 -4.290 87 HD22 LEU 15 1HD2 LEU 15 -16.822 1.904 -3.761 88 HD23 LEU 15 2HD2 LEU 15 -17.451 3.065 -2.577 89 H GLN 16 H GLN 16 -20.566 4.486 -6.459 90 HA GLN 16 HA GLN 16 -17.870 5.236 -7.489 91 HB3 GLN 16 2HB GLN 16 -18.999 7.080 -8.614 92 HG3 GLN 16 2HG GLN 16 -20.687 4.574 -9.007 93 HE21 GLN 16 1HE2 GLN 16 -18.745 5.651 -11.631 94 HE22 GLN 16 2HE2 GLN 16 -20.017 6.539 -12.479 95 H LEU 17 H LEU 17 -18.981 5.100 -4.634 96 HA LEU 17 HA LEU 17 -18.902 7.900 -3.717 97 HB3 LEU 17 2HB LEU 17 -19.763 6.939 -1.631 98 HG LEU 17 HG LEU 17 -21.940 6.280 -2.208 99 HD11 LEU 17 1HD1 LEU 17 -21.076 8.304 -4.301 100 HD12 LEU 17 2HD1 LEU 17 -21.375 8.668 -2.586 101 HD13 LEU 17 3HD1 LEU 17 -22.696 8.097 -3.633 102 HD21 LEU 17 3HD2 LEU 17 -21.327 6.013 -5.151 103 HD22 LEU 17 1HD2 LEU 17 -22.803 5.606 -4.285 104 HD23 LEU 17 2HD2 LEU 17 -21.367 4.620 -4.035 105 H LYS 18 H LYS 18 -16.652 8.110 -3.972 106 HA LYS 18 HA LYS 18 -14.761 6.508 -2.422 107 HB3 LYS 18 2HB LYS 18 -13.071 8.150 -2.999 108 HG3 LYS 18 2HG LYS 18 -14.466 6.611 -4.876 109 HD3 LYS 18 2HD LYS 18 -13.737 9.250 -6.181 110 HE3 LYS 18 2HE LYS 18 -15.569 6.995 -7.100 111 HZ1 LYS 18 3HZ LYS 18 -15.453 9.222 -8.258 112 HZ2 LYS 18 1HZ LYS 18 -15.150 7.899 -9.222 113 HZ3 LYS 18 2HZ LYS 18 -13.928 8.856 -8.686 114 H GLN 19 H GLN 19 -14.410 6.629 -0.246 115 HA GLN 19 HA GLN 19 -14.837 9.157 1.196 116 HB3 GLN 19 2HB GLN 19 -16.790 7.856 1.696 117 HG3 GLN 19 2HG GLN 19 -14.899 5.489 1.592 118 HE21 GLN 19 1HE2 GLN 19 -14.961 4.801 3.738 119 HE22 GLN 19 2HE2 GLN 19 -16.279 3.817 4.209 120 H ASN 20 H ASN 20 -13.786 8.514 3.562 121 HA ASN 20 HA ASN 20 -10.958 8.089 2.939 122 HB3 ASN 20 2HB ASN 20 -12.282 8.585 5.616 123 HD21 ASN 20 1HD2 ASN 20 -9.590 7.086 4.978 124 HD22 ASN 20 2HD2 ASN 20 -8.421 8.137 5.725 125 H VAL 21 H VAL 21 -10.971 5.889 2.350 126 HA VAL 21 HA VAL 21 -11.135 3.978 4.615 127 HB VAL 21 HB VAL 21 -13.309 3.954 3.566 128 HG11 VAL 21 1HG1 VAL 21 -12.686 4.573 1.233 129 HG12 VAL 21 2HG1 VAL 21 -12.029 2.942 1.005 130 HG13 VAL 21 3HG1 VAL 21 -13.758 3.165 1.339 131 HG21 VAL 21 3HG2 VAL 21 -12.430 1.911 4.591 132 HG22 VAL 21 1HG2 VAL 21 -13.557 1.565 3.278 133 HG23 VAL 21 2HG2 VAL 21 -11.812 1.370 3.008 134 H LEU 22 H LEU 22 -9.562 2.473 4.638 135 HA LEU 22 HA LEU 22 -7.285 2.906 2.896 136 HB3 LEU 22 2HB LEU 22 -6.347 0.931 4.175 137 HG LEU 22 HG LEU 22 -7.522 3.125 5.935 138 HD11 LEU 22 1HD1 LEU 22 -5.414 1.025 6.612 139 HD12 LEU 22 2HD1 LEU 22 -7.066 1.110 7.264 140 HD13 LEU 22 3HD1 LEU 22 -5.905 2.385 7.638 141 HD21 LEU 22 3HD2 LEU 22 -4.777 2.724 4.670 142 HD22 LEU 22 1HD2 LEU 22 -5.131 3.950 5.891 143 HD23 LEU 22 2HD2 LEU 22 -5.939 4.010 4.320 144 HA PRO 23 HA PRO 23 -8.200 -0.473 0.004 145 HB3 PRO 23 2HB PRO 23 -6.460 -0.016 -1.372 146 HG3 PRO 23 2HG PRO 23 -4.700 1.325 -0.575 147 HD3 PRO 23 2HD PRO 23 -6.447 2.447 0.496 148 HA PRO 24 HA PRO 24 -7.990 -4.075 2.504 149 HB3 PRO 24 2HB PRO 24 -9.487 -4.942 0.953 150 HG3 PRO 24 2HG PRO 24 -9.007 -4.850 -1.426 151 HD3 PRO 24 2HD PRO 24 -9.090 -2.621 -0.574 152 H THR 25 H THR 25 -6.893 -6.317 2.717 153 HA THR 25 HA THR 25 -4.003 -6.254 2.077 154 HB THR 25 HB THR 25 -3.872 -7.134 4.579 155 HG1 THR 25 1HG THR 25 -5.513 -6.771 5.814 156 HG21 THR 25 3HG2 THR 25 -3.544 -4.881 5.440 157 HG22 THR 25 1HG2 THR 25 -4.462 -4.197 4.082 158 HG23 THR 25 2HG2 THR 25 -2.894 -4.977 3.793 159 HA PRO 26 HA PRO 26 -4.782 -10.632 1.436 160 HB3 PRO 26 2HB PRO 26 -2.593 -11.047 0.884 161 HG3 PRO 26 2HG PRO 26 -0.918 -9.690 1.693 162 HD3 PRO 26 2HD PRO 26 -2.296 -7.848 1.649 163 H LYS 27 H LYS 27 -5.560 -12.444 2.595 164 HA LYS 27 HA LYS 27 -6.534 -11.780 5.190 165 HB3 LYS 27 2HB LYS 27 -7.794 -13.096 3.497 166 HG3 LYS 27 2HG LYS 27 -6.129 -15.464 4.475 167 HD3 LYS 27 2HD LYS 27 -8.196 -15.371 2.284 168 HE3 LYS 27 2HE LYS 27 -6.727 -17.444 2.553 169 HZ1 LYS 27 3HZ LYS 27 -6.653 -17.938 4.814 170 HZ2 LYS 27 1HZ LYS 27 -7.842 -18.929 4.318 171 HZ3 LYS 27 2HZ LYS 27 -8.249 -17.548 5.077 172 H ASN 28 H ASN 28 -3.537 -12.149 5.061 173 HA ASN 28 HA ASN 28 -3.002 -14.484 6.733 174 HB3 ASN 28 2HB ASN 28 -0.628 -13.537 6.211 175 HD21 ASN 28 1HD2 ASN 28 -2.868 -14.243 3.346 176 HD22 ASN 28 2HD2 ASN 28 -1.906 -15.660 3.067 177 H ILE 29 H ILE 29 -2.184 -10.895 6.536 178 HA ILE 29 HA ILE 29 -2.116 -10.910 9.497 179 HB ILE 29 HB ILE 29 0.034 -9.932 9.482 180 HG13 ILE 29 2HG1 ILE 29 1.367 -9.374 7.583 181 HG21 ILE 29 1HG2 ILE 29 1.448 -11.597 8.585 182 HG22 ILE 29 2HG2 ILE 29 -0.035 -12.360 9.222 183 HG23 ILE 29 3HG2 ILE 29 0.195 -12.142 7.471 184 HD11 ILE 29 3HD1 ILE 29 0.560 -9.129 5.365 185 HD12 ILE 29 1HD1 ILE 29 0.346 -10.816 5.770 186 HD13 ILE 29 2HD1 ILE 29 -1.053 -9.698 5.761 187 HA PRO 30 HA PRO 30 -4.117 -6.960 9.355 188 HB3 PRO 30 2HB PRO 30 -4.140 -6.876 11.611 189 HG3 PRO 30 2HG PRO 30 -2.329 -7.713 12.895 190 HD3 PRO 30 2HD PRO 30 -2.716 -9.490 11.368 191 H LEU 31 H LEU 31 -3.781 -4.579 8.884 192 HA LEU 31 HA LEU 31 -1.904 -4.027 6.899 193 HB3 LEU 31 2HB LEU 31 -3.377 -2.137 8.750 194 HG LEU 31 HG LEU 31 -3.279 -0.680 6.650 195 HD11 LEU 31 1HD1 LEU 31 -1.538 0.672 7.457 196 HD12 LEU 31 2HD1 LEU 31 -0.698 -0.685 8.245 197 HD13 LEU 31 3HD1 LEU 31 -2.260 -0.102 8.851 198 HD21 LEU 31 3HD2 LEU 31 -1.454 -0.749 5.158 199 HD22 LEU 31 1HD2 LEU 31 -1.976 -2.417 5.259 200 HD23 LEU 31 2HD2 LEU 31 -0.526 -1.873 6.145 201 HA PRO 32 HA PRO 32 1.128 -2.077 10.057 202 HB3 PRO 32 2HB PRO 32 0.316 -1.358 12.029 203 HG3 PRO 32 2HG PRO 32 -1.697 -2.255 12.902 204 HD3 PRO 32 2HD PRO 32 -2.145 -1.841 10.595 205 H ALA 33 H ALA 33 0.321 -5.331 9.538 206 HA ALA 33 HA ALA 33 3.052 -6.255 10.305 207 HB1 ALA 33 1HB ALA 33 0.502 -7.791 9.786 208 HB2 ALA 33 2HB ALA 33 2.102 -8.515 10.053 209 HB3 ALA 33 3HB ALA 33 1.307 -7.597 11.346 210 H PHE 34 H PHE 34 0.603 -5.979 7.712 211 HA PHE 34 HA PHE 34 1.899 -7.433 5.780 212 HB3 PHE 34 2HB PHE 34 0.030 -5.086 5.408 213 HD1 PHE 34 1HD PHE 34 1.368 -8.259 3.719 214 HD2 PHE 34 2HD PHE 34 -0.702 -4.477 3.220 215 HE1 PHE 34 1HE PHE 34 1.506 -8.466 1.298 216 HE2 PHE 34 2HE PHE 34 -0.574 -4.736 0.793 217 HZ PHE 34 HZ PHE 34 0.575 -6.670 -0.192 218 H GLY 35 H GLY 35 3.137 -4.504 6.922 219 HA2 GLY 35 1HA GLY 35 4.872 -4.231 4.501 220 HA3 GLY 35 2HA GLY 35 4.326 -2.869 5.445 221 H GLN 36 H GLN 36 4.726 -3.496 7.989 222 HA GLN 36 HA GLN 36 7.477 -3.019 8.245 223 HB3 GLN 36 2HB GLN 36 7.149 -2.955 10.602 224 HG3 GLN 36 2HG GLN 36 4.510 -2.145 9.311 225 HE21 GLN 36 1HE2 GLN 36 3.165 -0.690 10.655 226 HE22 GLN 36 2HE2 GLN 36 3.211 -0.942 12.382 227 H ARG 37 H ARG 37 5.940 -6.146 8.081 228 HA ARG 37 HA ARG 37 8.530 -7.453 8.794 229 HB3 ARG 37 2HB ARG 37 7.257 -9.271 9.852 230 HG3 ARG 37 2HG ARG 37 6.469 -6.589 11.055 231 HD3 ARG 37 2HD ARG 37 5.986 -9.172 11.931 232 HE ARG 37 HE ARG 37 8.540 -9.026 12.568 233 HH11 ARG 37 1HH1 ARG 37 5.804 -8.364 14.796 234 HH12 ARG 37 2HH1 ARG 37 6.578 -9.114 16.137 235 HH21 ARG 37 1HH2 ARG 37 9.534 -9.982 14.360 236 HH22 ARG 37 2HH2 ARG 37 8.734 -10.108 15.878 237 H ILE 38 H ILE 38 7.176 -6.646 6.232 238 HA ILE 38 HA ILE 38 7.147 -9.291 4.859 239 HB ILE 38 HB ILE 38 4.941 -7.233 4.795 240 HG13 ILE 38 2HG1 ILE 38 3.399 -8.906 5.541 241 HG21 ILE 38 1HG2 ILE 38 5.262 -9.632 2.966 242 HG22 ILE 38 2HG2 ILE 38 3.750 -8.721 3.156 243 HG23 ILE 38 3HG2 ILE 38 5.178 -7.919 2.510 244 HD11 ILE 38 3HD1 ILE 38 4.282 -10.976 4.689 245 HD12 ILE 38 1HD1 ILE 38 5.723 -10.849 5.739 246 HD13 ILE 38 2HD1 ILE 38 4.115 -11.069 6.446 247 H ILE 39 H ILE 39 6.456 -5.828 4.138 248 HA ILE 39 HA ILE 39 7.786 -5.914 1.589 249 HB ILE 39 HB ILE 39 6.859 -3.596 3.351 250 HG13 ILE 39 2HG1 ILE 39 4.866 -3.475 2.037 251 HG21 ILE 39 1HG2 ILE 39 8.459 -2.723 1.792 252 HG22 ILE 39 2HG2 ILE 39 7.715 -3.592 0.456 253 HG23 ILE 39 3HG2 ILE 39 6.844 -2.249 1.238 254 HD11 ILE 39 3HD1 ILE 39 5.783 -5.907 0.476 255 HD12 ILE 39 1HD1 ILE 39 4.165 -5.197 0.427 256 HD13 ILE 39 2HD1 ILE 39 5.537 -4.268 -0.196 257 H GLY 40 H GLY 40 8.778 -4.992 4.889 258 HA2 GLY 40 1HA GLY 40 11.090 -5.011 5.551 259 HA3 GLY 40 2HA GLY 40 11.577 -4.601 3.918 260 H TRP 41 H TRP 41 8.951 -2.669 4.481 261 HA TRP 41 HA TRP 41 10.600 -0.420 4.305 262 HB3 TRP 41 2HB TRP 41 8.412 -0.821 3.220 263 HD1 TRP 41 HD TRP 41 7.594 -1.134 6.802 264 HE1 TRP 41 1HE TRP 41 5.114 -0.999 7.181 265 HE3 TRP 41 3HE TRP 41 6.163 0.570 2.168 266 HZ2 TRP 41 2HZ TRP 41 2.721 -0.265 5.663 267 HZ3 TRP 41 3HZ TRP 41 3.767 0.829 1.635 268 HH2 TRP 41 HH TRP 41 2.044 0.431 3.387 269 H GLY 42 H GLY 42 10.638 -1.777 7.061 270 HA2 GLY 42 1HA GLY 42 11.077 -1.144 9.215 271 HA3 GLY 42 2HA GLY 42 11.147 0.542 8.651 272 H THR 43 H THR 43 9.442 1.878 9.147 273 HA THR 43 HA THR 43 6.790 0.832 8.902 274 HB THR 43 HB THR 43 7.208 0.058 11.234 275 HG1 THR 43 1HG THR 43 5.424 2.248 11.241 276 HG21 THR 43 3HG2 THR 43 7.904 2.936 11.846 277 HG22 THR 43 1HG2 THR 43 8.954 1.488 11.935 278 HG23 THR 43 2HG2 THR 43 7.615 1.653 13.060 279 H GLY 44 H GLY 44 8.590 3.065 8.093 280 HA2 GLY 44 1HA GLY 44 6.688 5.332 8.375 281 HA3 GLY 44 2HA GLY 44 8.221 5.498 9.239 282 H ALA 45 H ALA 45 8.134 7.373 7.787 283 HA ALA 45 HA ALA 45 8.634 7.330 4.972 284 HB1 ALA 45 1HB ALA 45 9.705 9.546 5.372 285 HB2 ALA 45 2HB ALA 45 8.147 9.424 6.213 286 HB3 ALA 45 3HB ALA 45 9.655 9.264 7.118 287 H GLU 46 H GLU 46 10.993 7.586 7.677 288 HA GLU 46 HA GLU 46 13.343 7.162 6.443 289 HB3 GLU 46 2HB GLU 46 13.740 5.825 8.775 290 HG3 GLU 46 2HG GLU 46 14.725 7.935 8.405 291 H GLY 47 H GLY 47 11.364 4.437 7.771 292 HA2 GLY 47 1HA GLY 47 13.052 2.371 6.891 293 HA3 GLY 47 2HA GLY 47 11.339 2.226 7.209 294 H ALA 48 H ALA 48 10.145 3.772 5.304 295 HA ALA 48 HA ALA 48 10.347 2.108 2.968 296 HB1 ALA 48 1HB ALA 48 8.212 3.099 3.729 297 HB2 ALA 48 2HB ALA 48 8.848 4.730 3.411 298 HB3 ALA 48 3HB ALA 48 8.595 3.582 2.072 299 H ARG 49 H ARG 49 12.237 4.854 3.872 300 HA ARG 49 HA ARG 49 12.860 5.607 1.076 301 HB3 ARG 49 2HB ARG 49 13.878 6.527 3.804 302 HG3 ARG 49 2HG ARG 49 14.332 7.895 1.130 303 HD3 ARG 49 2HD ARG 49 15.390 8.389 3.961 304 HE ARG 49 HE ARG 49 16.206 9.484 1.494 305 HH11 ARG 49 1HH1 ARG 49 15.145 10.659 4.678 306 HH12 ARG 49 2HH1 ARG 49 16.318 11.894 4.810 307 HH21 ARG 49 1HH2 ARG 49 17.701 11.213 1.553 308 HH22 ARG 49 2HH2 ARG 49 17.856 12.224 2.943 309 H GLN 50 H GLN 50 14.494 4.326 3.995 310 HA GLN 50 HA GLN 50 16.974 3.817 2.701 311 HB3 GLN 50 2HB GLN 50 17.362 2.478 4.890 312 HG3 GLN 50 2HG GLN 50 16.715 5.416 4.665 313 HE21 GLN 50 1HE2 GLN 50 15.212 5.678 6.367 314 HE22 GLN 50 2HE2 GLN 50 15.820 5.752 8.036 315 H ARG 51 H ARG 51 14.036 1.903 3.063 316 HA ARG 51 HA ARG 51 15.420 -0.340 1.712 317 HB3 ARG 51 2HB ARG 51 13.657 -1.770 2.580 318 HG3 ARG 51 2HG ARG 51 14.031 -1.520 5.031 319 HD3 ARG 51 2HD ARG 51 16.790 -1.108 4.276 320 HE ARG 51 HE ARG 51 15.937 -3.866 4.413 321 HH11 ARG 51 1HH1 ARG 51 16.430 -1.007 6.490 322 HH12 ARG 51 2HH1 ARG 51 16.875 -1.936 7.854 323 HH21 ARG 51 1HH2 ARG 51 16.366 -5.061 6.232 324 HH22 ARG 51 2HH2 ARG 51 16.537 -4.304 7.796 325 H LEU 52 H LEU 52 14.196 2.230 0.460 326 HA LEU 52 HA LEU 52 12.635 0.804 -1.671 327 HB3 LEU 52 2HB LEU 52 12.992 3.708 -0.893 328 HG LEU 52 HG LEU 52 10.953 3.719 -2.665 329 HD11 LEU 52 1HD1 LEU 52 13.526 4.721 -3.633 330 HD12 LEU 52 2HD1 LEU 52 12.625 5.497 -2.308 331 HD13 LEU 52 3HD1 LEU 52 11.919 5.343 -3.925 332 HD21 LEU 52 3HD2 LEU 52 11.697 1.577 -3.782 333 HD22 LEU 52 1HD2 LEU 52 12.982 2.579 -4.482 334 HD23 LEU 52 2HD2 LEU 52 11.295 2.987 -4.788 335 H GLU 53 H GLU 53 15.140 3.354 -1.245 336 HA GLU 53 HA GLU 53 15.215 3.588 -3.967 337 HB3 GLU 53 2HB GLU 53 17.290 5.022 -3.592 338 HG3 GLU 53 2HG GLU 53 15.119 5.484 -1.513 339 H ASN 54 H ASN 54 16.647 1.150 -2.335 340 HA ASN 54 HA ASN 54 18.628 0.509 -4.372 341 HB3 ASN 54 2HB ASN 54 20.169 1.237 -2.893 342 HD21 ASN 54 1HD2 ASN 54 17.455 0.196 -0.626 343 HD22 ASN 54 2HD2 ASN 54 17.635 1.610 0.376 344 H ILE 55 H ILE 55 15.929 -0.451 -3.983 345 HA ILE 55 HA ILE 55 15.675 -2.831 -2.566 346 HB ILE 55 HB ILE 55 13.922 -1.333 -3.848 347 HG13 ILE 55 2HG1 ILE 55 13.589 -4.349 -3.660 348 HG21 ILE 55 1HG2 ILE 55 13.185 -2.116 -5.999 349 HG22 ILE 55 2HG2 ILE 55 14.940 -1.813 -6.122 350 HG23 ILE 55 3HG2 ILE 55 14.315 -3.458 -5.985 351 HD11 ILE 55 3HD1 ILE 55 12.635 -2.021 -1.938 352 HD12 ILE 55 1HD1 ILE 55 12.202 -3.714 -1.682 353 HD13 ILE 55 2HD1 ILE 55 13.877 -3.208 -1.453 354 H GLN 56 H GLN 56 15.267 -5.085 -3.611 355 HA GLN 56 HA GLN 56 17.264 -5.646 -5.711 356 HB3 GLN 56 2HB GLN 56 17.642 -7.831 -4.439 357 HG3 GLN 56 2HG GLN 56 18.948 -5.336 -4.218 358 HE21 GLN 56 1HE2 GLN 56 18.543 -3.861 -2.423 359 HE22 GLN 56 2HE2 GLN 56 18.944 -4.385 -0.825 360 HA PRO 57 HA PRO 57 13.844 -7.947 -7.431 361 HB3 PRO 57 2HB PRO 57 15.206 -8.453 -9.196 362 HG3 PRO 57 2HG PRO 57 17.501 -9.037 -8.936 363 HD3 PRO 57 2HD PRO 57 17.201 -6.962 -7.849 364 H ALA 58 H ALA 58 15.841 -9.355 -4.956 365 HA ALA 58 HA ALA 58 14.145 -11.697 -4.488 366 HB1 ALA 58 1HB ALA 58 16.564 -11.619 -3.990 367 HB2 ALA 58 2HB ALA 58 16.273 -10.348 -2.781 368 HB3 ALA 58 3HB ALA 58 15.567 -11.965 -2.552 369 H ASP 59 H ASP 59 14.402 -8.317 -3.283 370 HA ASP 59 HA ASP 59 12.939 -8.789 -0.845 371 HB3 ASP 59 2HB ASP 59 12.634 -6.144 -1.164 372 H VAL 60 H VAL 60 11.965 -8.470 -4.131 373 HA VAL 60 HA VAL 60 9.136 -7.946 -3.441 374 HB VAL 60 HB VAL 60 9.767 -6.714 -5.310 375 HG11 VAL 60 1HG1 VAL 60 10.988 -9.187 -6.604 376 HG12 VAL 60 2HG1 VAL 60 10.829 -7.595 -7.300 377 HG13 VAL 60 3HG1 VAL 60 11.893 -7.790 -5.932 378 HG21 VAL 60 3HG2 VAL 60 7.611 -7.995 -5.553 379 HG22 VAL 60 1HG2 VAL 60 8.363 -7.483 -7.074 380 HG23 VAL 60 2HG2 VAL 60 8.483 -9.169 -6.566 381 H SER 61 H SER 61 11.169 -10.510 -4.977 382 HA SER 61 HA SER 61 9.073 -12.507 -4.732 383 HB3 SER 61 2HB SER 61 11.072 -14.023 -5.395 384 HG SER 61 HG SER 61 10.489 -12.141 -7.382 385 H MET 62 H MET 62 9.659 -11.175 -2.302 386 HA MET 62 HA MET 62 9.667 -13.736 -0.767 387 HB3 MET 62 2HB MET 62 11.619 -12.382 -0.085 388 HG3 MET 62 2HG MET 62 9.590 -10.338 0.879 389 HE1 MET 62 3HE MET 62 10.291 -10.853 3.311 390 HE2 MET 62 1HE MET 62 11.530 -12.060 2.909 391 HE3 MET 62 2HE MET 62 11.942 -10.687 3.961 392 H ILE 63 H ILE 63 8.248 -10.490 -1.369 393 HA ILE 63 HA ILE 63 6.112 -10.640 0.445 394 HB ILE 63 HB ILE 63 6.078 -9.340 -2.312 395 HG13 ILE 63 2HG1 ILE 63 8.145 -8.653 -0.942 396 HG21 ILE 63 1HG2 ILE 63 3.916 -9.371 -1.176 397 HG22 ILE 63 2HG2 ILE 63 4.615 -8.636 0.276 398 HG23 ILE 63 3HG2 ILE 63 4.504 -7.728 -1.241 399 HD11 ILE 63 3HD1 ILE 63 7.956 -6.339 -1.550 400 HD12 ILE 63 1HD1 ILE 63 7.196 -7.325 -2.811 401 HD13 ILE 63 2HD1 ILE 63 6.199 -6.433 -1.666 402 H LYS 64 H LYS 64 6.449 -11.721 -2.895 403 HA LYS 64 HA LYS 64 3.807 -12.630 -3.378 404 HB3 LYS 64 2HB LYS 64 4.990 -14.191 -5.017 405 HG3 LYS 64 2HG LYS 64 4.903 -11.291 -4.935 406 HD3 LYS 64 2HD LYS 64 7.390 -11.793 -5.730 407 HE3 LYS 64 2HE LYS 64 7.114 -11.187 -8.285 408 HZ1 LYS 64 3HZ LYS 64 7.033 -14.061 -7.687 409 HZ2 LYS 64 1HZ LYS 64 8.394 -13.116 -7.510 410 HZ3 LYS 64 2HZ LYS 64 7.715 -13.290 -8.963 411 H LYS 65 H LYS 65 6.384 -14.184 -1.465 412 HA LYS 65 HA LYS 65 5.052 -16.788 -1.471 413 HB3 LYS 65 2HB LYS 65 6.747 -17.237 0.358 414 HG3 LYS 65 2HG LYS 65 7.136 -17.755 -2.073 415 HD3 LYS 65 2HD LYS 65 8.587 -15.111 -1.998 416 HE3 LYS 65 2HE LYS 65 9.754 -16.187 -4.100 417 HZ1 LYS 65 3HZ LYS 65 11.409 -17.352 -2.556 418 HZ2 LYS 65 1HZ LYS 65 10.532 -16.756 -1.319 419 HZ3 LYS 65 2HZ LYS 65 11.232 -15.755 -2.444 420 H GLN 66 H GLN 66 4.551 -13.803 0.226 421 HA GLN 66 HA GLN 66 3.592 -15.202 2.643 422 HB3 GLN 66 2HB GLN 66 3.367 -12.795 3.470 423 HG3 GLN 66 2HG GLN 66 5.326 -14.694 3.777 424 HE21 GLN 66 1HE2 GLN 66 6.055 -11.314 2.693 425 HE22 GLN 66 2HE2 GLN 66 7.753 -11.669 2.433 426 H GLY 67 H GLY 67 2.171 -15.333 -0.027 427 HA2 GLY 67 1HA GLY 67 -0.012 -15.583 -0.504 428 HA3 GLY 67 2HA GLY 67 -0.407 -14.982 1.112 429 H THR 68 H THR 68 1.366 -13.289 -1.494 430 HA THR 68 HA THR 68 -0.680 -11.134 -1.426 431 HB THR 68 HB THR 68 2.270 -10.750 -1.978 432 HG1 THR 68 1HG THR 68 2.669 -11.328 -0.069 433 HG21 THR 68 3HG2 THR 68 0.801 -8.859 -2.473 434 HG22 THR 68 1HG2 THR 68 1.795 -8.481 -1.072 435 HG23 THR 68 2HG2 THR 68 0.098 -8.954 -0.838 436 H THR 69 H THR 69 -1.112 -10.062 -3.478 437 HA THR 69 HA THR 69 0.161 -11.259 -5.867 438 HB THR 69 HB THR 69 -1.978 -10.878 -7.014 439 HG1 THR 69 1HG THR 69 -3.817 -10.521 -5.800 440 HG21 THR 69 3HG2 THR 69 -3.064 -12.860 -6.170 441 HG22 THR 69 1HG2 THR 69 -2.338 -12.657 -4.561 442 HG23 THR 69 2HG2 THR 69 -1.315 -13.073 -5.947 443 H LEU 70 H LEU 70 -0.136 -9.703 -7.779 444 HA LEU 70 HA LEU 70 1.199 -7.298 -7.210 445 HB3 LEU 70 2HB LEU 70 -0.429 -8.164 -9.653 446 HG LEU 70 HG LEU 70 0.051 -5.718 -9.757 447 HD11 LEU 70 1HD1 LEU 70 2.023 -5.531 -8.308 448 HD12 LEU 70 2HD1 LEU 70 2.420 -4.971 -9.935 449 HD13 LEU 70 3HD1 LEU 70 2.955 -6.574 -9.406 450 HD21 LEU 70 3HD2 LEU 70 1.254 -5.776 -11.908 451 HD22 LEU 70 1HD2 LEU 70 0.067 -7.085 -11.805 452 HD23 LEU 70 2HD2 LEU 70 1.795 -7.429 -11.572 453 H GLU 71 H GLU 71 -2.269 -8.027 -7.550 454 HA GLU 71 HA GLU 71 -3.222 -5.364 -7.598 455 HB3 GLU 71 2HB GLU 71 -5.077 -6.960 -6.102 456 HG3 GLU 71 2HG GLU 71 -4.992 -6.753 -9.095 457 H MET 72 H MET 72 -1.902 -7.193 -5.000 458 HA MET 72 HA MET 72 -3.048 -5.466 -2.903 459 HB3 MET 72 2HB MET 72 -0.794 -7.027 -2.029 460 HG3 MET 72 2HG MET 72 -2.627 -6.084 -0.679 461 HE1 MET 72 3HE MET 72 -3.828 -9.270 -2.843 462 HE2 MET 72 1HE MET 72 -3.581 -9.851 -1.176 463 HE3 MET 72 2HE MET 72 -5.219 -9.751 -1.857 464 H ILE 73 H ILE 73 -0.466 -5.123 -5.094 465 HA ILE 73 HA ILE 73 1.078 -3.396 -3.205 466 HB ILE 73 HB ILE 73 1.632 -4.489 -6.005 467 HG13 ILE 73 2HG1 ILE 73 3.430 -5.787 -4.802 468 HG21 ILE 73 1HG2 ILE 73 3.676 -3.041 -4.309 469 HG22 ILE 73 2HG2 ILE 73 3.845 -3.671 -5.943 470 HG23 ILE 73 3HG2 ILE 73 2.782 -2.300 -5.656 471 HD11 ILE 73 3HD1 ILE 73 1.755 -5.267 -2.280 472 HD12 ILE 73 1HD1 ILE 73 3.072 -6.423 -2.461 473 HD13 ILE 73 2HD1 ILE 73 3.411 -4.687 -2.548 474 H THR 74 H THR 74 -0.773 -3.429 -6.275 475 HA THR 74 HA THR 74 -0.138 -0.786 -6.942 476 HB THR 74 HB THR 74 -2.225 -1.065 -8.443 477 HG1 THR 74 1HG THR 74 -2.810 -3.279 -8.650 478 HG21 THR 74 3HG2 THR 74 0.166 -1.539 -9.100 479 HG22 THR 74 1HG2 THR 74 -1.018 -2.546 -9.943 480 HG23 THR 74 2HG2 THR 74 -0.061 -3.222 -8.601 481 H ALA 75 H ALA 75 -2.718 -1.955 -4.753 482 HA ALA 75 HA ALA 75 -4.179 0.580 -5.088 483 HB1 ALA 75 1HB ALA 75 -4.802 -1.521 -3.001 484 HB2 ALA 75 2HB ALA 75 -5.873 -0.376 -3.808 485 HB3 ALA 75 3HB ALA 75 -5.231 -1.739 -4.721 486 H TRP 76 H TRP 76 -2.125 -0.972 -2.637 487 HA TRP 76 HA TRP 76 -2.266 1.091 -0.647 488 HB3 TRP 76 2HB TRP 76 0.074 0.068 -0.059 489 HD1 TRP 76 HD TRP 76 -1.858 -3.097 -0.496 490 HE1 TRP 76 1HE TRP 76 -3.462 -3.522 1.388 491 HE3 TRP 76 3HE TRP 76 -1.403 1.397 1.878 492 HZ2 TRP 76 2HZ TRP 76 -4.507 -2.046 3.676 493 HZ3 TRP 76 3HZ TRP 76 -2.765 1.889 3.884 494 HH2 TRP 76 HH TRP 76 -4.338 0.141 4.774 495 H GLN 77 H GLN 77 -0.209 0.590 -3.521 496 HA GLN 77 HA GLN 77 1.567 2.758 -3.090 497 HB3 GLN 77 2HB GLN 77 0.394 1.566 -5.642 498 HG3 GLN 77 2HG GLN 77 2.843 3.338 -5.215 499 HE21 GLN 77 1HE2 GLN 77 3.125 4.249 -7.712 500 HE22 GLN 77 2HE2 GLN 77 3.597 2.880 -8.755 501 H ASP 78 H ASP 78 -1.450 2.613 -5.074 502 HA ASP 78 HA ASP 78 -1.170 5.356 -5.754 503 HB3 ASP 78 2HB ASP 78 -3.832 3.980 -6.045 504 H PHE 79 H PHE 79 -2.966 3.765 -3.180 505 HA PHE 79 HA PHE 79 -4.500 5.949 -2.180 506 HB3 PHE 79 2HB PHE 79 -3.022 3.679 -0.795 507 HD1 PHE 79 1HD PHE 79 -2.160 4.880 1.169 508 HD2 PHE 79 2HD PHE 79 -6.342 5.059 0.110 509 HE1 PHE 79 1HE PHE 79 -2.678 5.937 3.354 510 HE2 PHE 79 2HE PHE 79 -6.849 6.061 2.320 511 HZ PHE 79 HZ PHE 79 -5.019 6.547 3.921 512 H TYR 80 H TYR 80 -1.030 5.078 -1.562 513 HA TYR 80 HA TYR 80 -0.652 7.448 0.047 514 HB3 TYR 80 2HB TYR 80 1.801 6.860 -0.280 515 HD1 TYR 80 2HD TYR 80 0.156 7.055 2.060 516 HD2 TYR 80 1HD TYR 80 1.608 3.565 0.018 517 HE1 TYR 80 2HE TYR 80 -0.272 5.748 4.078 518 HE2 TYR 80 1HE TYR 80 1.141 2.181 2.031 519 HH TYR 80 HH TYR 80 0.345 2.229 4.363 520 H GLU 81 H GLU 81 -0.277 6.778 -3.422 521 HA GLU 81 HA GLU 81 1.093 9.298 -3.945 522 HB3 GLU 81 2HB GLU 81 0.341 8.799 -6.342 523 HG3 GLU 81 2HG GLU 81 1.504 6.290 -5.106 524 H GLN 82 H GLN 82 -2.210 8.336 -3.944 525 HA GLN 82 HA GLN 82 -3.276 10.997 -4.446 526 HB3 GLN 82 2HB GLN 82 -5.424 9.848 -3.549 527 HG3 GLN 82 2HG GLN 82 -5.804 9.784 -5.741 528 HE21 GLN 82 1HE2 GLN 82 -3.517 7.518 -6.979 529 HE22 GLN 82 2HE2 GLN 82 -2.450 8.660 -7.755 530 H GLU 83 H GLU 83 -1.846 9.818 -1.602 531 HA GLU 83 HA GLU 83 -3.139 12.093 -0.189 532 HB3 GLU 83 2HB GLU 83 -3.530 9.809 0.784 533 HG3 GLU 83 2HG GLU 83 -0.718 9.587 0.927 534 H GLN 84 H GLN 84 -0.375 11.617 -1.881 535 HA GLN 84 HA GLN 84 1.372 12.937 0.120 536 HB3 GLN 84 2HB GLN 84 2.003 10.914 -1.232 537 HG3 GLN 84 2HG GLN 84 3.287 12.794 -3.201 538 HE21 GLN 84 1HE2 GLN 84 2.278 9.513 -2.247 539 HE22 GLN 84 2HE2 GLN 84 3.334 8.608 -3.297 540 H GLN 85 H GLN 85 0.477 13.312 -3.196 541 HA GLN 85 HA GLN 85 1.490 15.783 -3.892 542 HB3 GLN 85 2HB GLN 85 -0.305 15.957 -5.579 543 HG3 GLN 85 2HG GLN 85 0.684 13.151 -5.055 544 HE21 GLN 85 1HE2 GLN 85 -1.324 12.069 -5.261 545 HE22 GLN 85 2HE2 GLN 85 -2.153 11.923 -6.782 546 H ARG 86 H ARG 86 -1.605 15.236 -2.334 547 HA ARG 86 HA ARG 86 -2.613 17.859 -2.203 548 HB3 ARG 86 2HB ARG 86 -4.002 15.903 -1.655 549 HG3 ARG 86 2HG ARG 86 -2.310 15.775 0.864 550 HD3 ARG 86 2HD ARG 86 -4.604 13.933 0.211 551 HE ARG 86 HE ARG 86 -2.650 13.136 1.604 552 HH11 ARG 86 1HH1 ARG 86 -4.795 15.377 3.241 553 HH12 ARG 86 2HH1 ARG 86 -4.279 14.865 4.813 554 HH21 ARG 86 1HH2 ARG 86 -2.115 12.341 3.654 555 HH22 ARG 86 2HH2 ARG 86 -2.928 12.945 5.050 556 H ASN 87 H ASN 87 0.041 16.558 -0.331 557 HA ASN 87 HA ASN 87 0.357 19.113 0.964 558 HB3 ASN 87 2HB ASN 87 -0.787 18.415 2.801 559 HD21 ASN 87 1HD2 ASN 87 0.839 15.417 1.625 560 HD22 ASN 87 2HD2 ASN 87 -0.393 14.326 2.203 561 H GLU 88 H GLU 88 2.214 19.369 -0.150 562 HA GLU 88 HA GLU 88 4.077 17.576 -0.995 563 HB3 GLU 88 2HB GLU 88 5.715 19.530 -0.879 564 HG3 GLU 88 2HG GLU 88 4.367 21.164 -2.219 565 H ASN 89 H ASN 89 3.679 18.536 2.275 566 HA ASN 89 HA ASN 89 6.372 18.082 3.254 567 HB3 ASN 89 2HB ASN 89 5.425 18.546 5.429 568 HD21 ASN 89 1HD2 ASN 89 6.047 20.252 2.851 569 HD22 ASN 89 2HD2 ASN 89 5.353 21.795 3.313 570 H ASN 90 H ASN 90 4.190 15.713 2.291 571 HA ASN 90 HA ASN 90 4.556 14.141 4.775 572 HB3 ASN 90 2HB ASN 90 2.538 13.205 2.769 573 HD21 ASN 90 1HD2 ASN 90 0.668 12.168 3.955 574 HD22 ASN 90 2HD2 ASN 90 0.637 12.225 5.684 575 HA PRO 91 HA PRO 91 7.423 11.979 1.960 576 HB3 PRO 91 2HB PRO 91 9.221 12.904 3.100 577 HG3 PRO 91 2HG PRO 91 9.052 13.341 5.445 578 HD3 PRO 91 2HD PRO 91 7.335 14.467 4.363 579 H THR 92 H THR 92 5.730 10.961 4.886 580 HA THR 92 HA THR 92 6.572 8.270 5.018 581 HB THR 92 HB THR 92 3.898 9.497 5.835 582 HG1 THR 92 1HG THR 92 5.204 10.535 7.106 583 HG21 THR 92 3HG2 THR 92 5.354 6.936 6.676 584 HG22 THR 92 1HG2 THR 92 3.785 7.061 5.845 585 HG23 THR 92 2HG2 THR 92 3.935 7.621 7.513 586 H ALA 93 H ALA 93 3.451 9.483 3.633 587 HA ALA 93 HA ALA 93 2.823 7.216 2.156 588 HB1 ALA 93 1HB ALA 93 1.499 8.864 0.795 589 HB2 ALA 93 2HB ALA 93 1.359 9.173 2.523 590 HB3 ALA 93 3HB ALA 93 2.387 10.211 1.536 591 H LYS 94 H LYS 94 4.738 10.064 1.117 592 HA LYS 94 HA LYS 94 5.077 9.502 -1.536 593 HB3 LYS 94 2HB LYS 94 7.107 10.664 0.371 594 HG3 LYS 94 2HG LYS 94 6.916 10.564 -2.625 595 HD3 LYS 94 2HD LYS 94 6.732 12.871 -2.155 596 HE3 LYS 94 2HE LYS 94 8.972 12.415 -0.148 597 HZ1 LYS 94 3HZ LYS 94 8.923 14.912 -0.036 598 HZ2 LYS 94 1HZ LYS 94 8.353 14.887 -1.597 599 HZ3 LYS 94 2HZ LYS 94 9.830 14.223 -1.224 600 H TYR 95 H TYR 95 7.330 8.365 1.001 601 HA TYR 95 HA TYR 95 8.816 6.806 -0.905 602 HB3 TYR 95 2HB TYR 95 9.817 5.833 1.204 603 HD1 TYR 95 2HD TYR 95 11.089 7.208 -0.790 604 HD2 TYR 95 1HD TYR 95 9.741 8.793 2.985 605 HE1 TYR 95 2HE TYR 95 12.723 9.035 -0.990 606 HE2 TYR 95 1HE TYR 95 11.398 10.626 2.816 607 HH TYR 95 HH TYR 95 13.848 10.683 0.248 608 H ARG 96 H ARG 96 6.143 5.926 1.414 609 HA ARG 96 HA ARG 96 6.254 3.127 1.005 610 HB3 ARG 96 2HB ARG 96 3.778 3.170 1.424 611 HG3 ARG 96 2HG ARG 96 5.281 4.900 3.372 612 HD3 ARG 96 2HD ARG 96 2.966 3.018 3.825 613 HE ARG 96 HE ARG 96 4.824 3.450 5.678 614 HH11 ARG 96 1HH1 ARG 96 1.503 4.744 5.410 615 HH12 ARG 96 2HH1 ARG 96 1.373 5.163 7.082 616 HH21 ARG 96 1HH2 ARG 96 4.519 3.819 8.031 617 HH22 ARG 96 2HH2 ARG 96 3.055 4.542 8.563 618 H ALA 97 H ALA 97 4.570 5.635 -0.961 619 HA ALA 97 HA ALA 97 3.454 3.850 -2.866 620 HB1 ALA 97 1HB ALA 97 2.666 6.104 -2.866 621 HB2 ALA 97 2HB ALA 97 4.307 6.773 -2.970 622 HB3 ALA 97 3HB ALA 97 3.617 5.914 -4.355 623 H ARG 98 H ARG 98 6.541 5.783 -3.005 624 HA ARG 98 HA ARG 98 7.257 4.808 -5.486 625 HB3 ARG 98 2HB ARG 98 9.555 5.411 -3.656 626 HG3 ARG 98 2HG ARG 98 8.372 6.388 -6.246 627 HD3 ARG 98 2HD ARG 98 10.428 7.995 -4.731 628 HE ARG 98 HE ARG 98 10.595 8.611 -6.981 629 HH11 ARG 98 1HH1 ARG 98 7.104 8.606 -6.136 630 HH12 ARG 98 2HH1 ARG 98 6.599 9.044 -7.708 631 HH21 ARG 98 1HH2 ARG 98 9.922 9.218 -9.020 632 HH22 ARG 98 2HH2 ARG 98 8.225 9.391 -9.384 633 H LEU 99 H LEU 99 7.862 3.385 -2.345 634 HA LEU 99 HA LEU 99 9.618 1.284 -3.146 635 HB3 LEU 99 2HB LEU 99 7.643 1.674 -0.875 636 HG LEU 99 HG LEU 99 7.955 -0.642 -0.727 637 HD11 LEU 99 1HD1 LEU 99 10.918 -0.252 -1.318 638 HD12 LEU 99 2HD1 LEU 99 9.750 -1.052 -2.384 639 HD13 LEU 99 3HD1 LEU 99 10.159 -1.775 -0.838 640 HD21 LEU 99 3HD2 LEU 99 9.398 -0.785 1.265 641 HD22 LEU 99 1HD2 LEU 99 8.434 0.707 1.300 642 HD23 LEU 99 2HD2 LEU 99 10.164 0.750 0.867 643 H MET 100 H MET 100 6.033 1.361 -2.694 644 HA MET 100 HA MET 100 5.460 -1.214 -3.647 645 HB3 MET 100 2HB MET 100 3.273 -0.305 -4.275 646 HG3 MET 100 2HG MET 100 2.615 0.391 -1.960 647 HE1 MET 100 3HE MET 100 3.008 -2.917 0.154 648 HE2 MET 100 1HE MET 100 4.017 -1.447 0.292 649 HE3 MET 100 2HE MET 100 2.233 -1.313 0.070 650 H LYS 101 H LYS 101 5.861 1.860 -5.557 651 HA LYS 101 HA LYS 101 5.212 0.869 -8.111 652 HB3 LYS 101 2HB LYS 101 7.469 2.825 -7.458 653 HG3 LYS 101 2HG LYS 101 7.116 1.913 -9.941 654 HD3 LYS 101 2HD LYS 101 5.031 4.091 -9.600 655 HE3 LYS 101 2HE LYS 101 6.055 2.929 -12.211 656 HZ1 LYS 101 3HZ LYS 101 4.235 5.193 -11.568 657 HZ2 LYS 101 1HZ LYS 101 3.821 3.817 -12.360 658 HZ3 LYS 101 2HZ LYS 101 4.844 4.870 -13.069 659 H LYS 102 H LYS 102 8.453 1.084 -6.682 660 HA LYS 102 HA LYS 102 9.806 -0.358 -8.708 661 HB3 LYS 102 2HB LYS 102 10.944 -0.816 -6.043 662 HG3 LYS 102 2HG LYS 102 11.840 0.674 -8.542 663 HD3 LYS 102 2HD LYS 102 13.228 0.253 -5.879 664 HE3 LYS 102 2HE LYS 102 14.554 -0.547 -7.989 665 HZ1 LYS 102 3HZ LYS 102 14.216 1.468 -9.296 666 HZ2 LYS 102 1HZ LYS 102 15.804 1.202 -8.998 667 HZ3 LYS 102 2HZ LYS 102 15.017 2.374 -8.158 668 H ILE 103 H ILE 103 8.192 -1.615 -5.762 669 HA ILE 103 HA ILE 103 8.932 -4.330 -6.045 670 HB ILE 103 HB ILE 103 6.530 -2.917 -4.828 671 HG13 ILE 103 2HG1 ILE 103 8.976 -2.951 -3.849 672 HG21 ILE 103 1HG2 ILE 103 5.666 -5.114 -5.519 673 HG22 ILE 103 2HG2 ILE 103 7.046 -5.909 -4.742 674 HG23 ILE 103 3HG2 ILE 103 5.830 -5.039 -3.775 675 HD11 ILE 103 3HD1 ILE 103 8.225 -3.111 -1.575 676 HD12 ILE 103 1HD1 ILE 103 7.039 -2.182 -2.498 677 HD13 ILE 103 2HD1 ILE 103 6.697 -3.869 -2.060 678 H ALA 104 H ALA 104 6.005 -2.605 -7.293 679 HA ALA 104 HA ALA 104 4.972 -4.799 -8.761 680 HB1 ALA 104 1HB ALA 104 3.654 -3.029 -9.920 681 HB2 ALA 104 2HB ALA 104 3.643 -2.810 -8.163 682 HB3 ALA 104 3HB ALA 104 4.674 -1.787 -9.187 683 H ASP 105 H ASP 105 7.720 -2.792 -9.410 684 HA ASP 105 HA ASP 105 7.607 -2.962 -12.326 685 HB3 ASP 105 2HB ASP 105 10.213 -2.302 -11.056 686 H LEU 106 H LEU 106 8.784 -4.846 -9.700 687 HA LEU 106 HA LEU 106 10.578 -6.559 -11.359 688 HB3 LEU 106 2HB LEU 106 11.749 -6.904 -9.136 689 HG LEU 106 HG LEU 106 11.695 -4.108 -10.285 690 HD11 LEU 106 1HD1 LEU 106 13.266 -5.060 -7.847 691 HD12 LEU 106 2HD1 LEU 106 12.004 -3.824 -7.869 692 HD13 LEU 106 3HD1 LEU 106 13.521 -3.521 -8.721 693 HD21 LEU 106 3HD2 LEU 106 13.930 -4.672 -10.994 694 HD22 LEU 106 1HD2 LEU 106 12.916 -6.083 -11.391 695 HD23 LEU 106 2HD2 LEU 106 13.960 -6.133 -9.982 696 H TRP 107 H TRP 107 7.622 -6.673 -10.776 697 HA TRP 107 HA TRP 107 7.235 -8.689 -8.841 698 HB3 TRP 107 2HB TRP 107 5.275 -8.009 -11.057 699 HD1 TRP 107 HD TRP 107 3.515 -9.855 -10.670 700 HE1 TRP 107 1HE TRP 107 2.290 -10.876 -8.736 701 HE3 TRP 107 3HE TRP 107 5.738 -7.180 -6.951 702 HZ2 TRP 107 2HZ TRP 107 2.210 -10.514 -5.817 703 HZ3 TRP 107 3HZ TRP 107 5.034 -7.522 -4.567 704 HH2 TRP 107 HH TRP 107 3.213 -9.133 -4.015 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -17.742 -7.965 16.134 2 HA2 GLY 1 1HA GLY 1 -19.686 -9.788 14.876 3 HA3 GLY 1 2HA GLY 1 -19.583 -8.050 14.551 4 H THR 2 H THR 2 -18.775 -7.807 12.504 5 HA THR 2 HA THR 2 -17.538 -7.866 10.705 6 HB THR 2 HB THR 2 -15.251 -9.067 12.282 7 HG1 THR 2 1HG THR 2 -15.819 -7.424 13.523 8 HG21 THR 2 3HG2 THR 2 -13.896 -7.721 10.743 9 HG22 THR 2 1HG2 THR 2 -15.358 -7.038 10.003 10 HG23 THR 2 2HG2 THR 2 -14.962 -8.768 9.819 11 H ASP 3 H ASP 3 -18.236 -9.240 9.052 12 HA ASP 3 HA ASP 3 -16.963 -11.810 8.827 13 HB3 ASP 3 2HB ASP 3 -19.897 -12.155 8.508 14 H PHE 4 H PHE 4 -17.314 -12.701 6.609 15 HA PHE 4 HA PHE 4 -18.779 -10.967 4.776 16 HB3 PHE 4 2HB PHE 4 -15.894 -11.474 4.052 17 HD1 PHE 4 2HD PHE 4 -18.462 -8.734 4.406 18 HD2 PHE 4 1HD PHE 4 -15.524 -10.579 1.861 19 HE1 PHE 4 2HE PHE 4 -18.960 -7.082 2.635 20 HE2 PHE 4 1HE PHE 4 -15.969 -8.893 0.119 21 HZ PHE 4 HZ PHE 4 -17.743 -7.174 0.464 22 H GLY 5 H GLY 5 -19.573 -12.035 3.132 23 HA2 GLY 5 1HA GLY 5 -18.640 -14.819 2.542 24 HA3 GLY 5 2HA GLY 5 -20.346 -14.349 2.536 25 H THR 6 H THR 6 -21.170 -13.203 0.748 26 HA THR 6 HA THR 6 -19.267 -12.647 -1.466 27 HB THR 6 HB THR 6 -20.182 -14.982 -1.402 28 HG1 THR 6 1HG THR 6 -19.375 -14.140 -3.233 29 HG21 THR 6 3HG2 THR 6 -22.803 -13.648 -2.157 30 HG22 THR 6 1HG2 THR 6 -22.488 -14.561 -0.669 31 HG23 THR 6 2HG2 THR 6 -22.447 -15.380 -2.245 32 H THR 7 H THR 7 -20.773 -10.821 0.355 33 HA THR 7 HA THR 7 -22.989 -9.722 -1.121 34 HB THR 7 HB THR 7 -22.940 -9.919 1.298 35 HG1 THR 7 1HG THR 7 -24.405 -8.534 0.642 36 HG21 THR 7 3HG2 THR 7 -20.611 -9.281 1.788 37 HG22 THR 7 1HG2 THR 7 -21.784 -8.346 2.724 38 HG23 THR 7 2HG2 THR 7 -20.983 -7.602 1.330 39 H ASN 8 H ASN 8 -20.707 -9.715 -2.782 40 HA ASN 8 HA ASN 8 -20.626 -6.802 -3.437 41 HB3 ASN 8 2HB ASN 8 -18.334 -8.762 -3.803 42 HD21 ASN 8 1HD2 ASN 8 -16.327 -7.823 -4.611 43 HD22 ASN 8 2HD2 ASN 8 -16.427 -6.455 -5.693 44 H ASN 9 H ASN 9 -21.978 -9.698 -4.236 45 HA ASN 9 HA ASN 9 -21.431 -9.773 -7.106 46 HB3 ASN 9 2HB ASN 9 -23.401 -11.426 -5.467 47 HD21 ASN 9 1HD2 ASN 9 -24.925 -12.135 -6.986 48 HD22 ASN 9 2HD2 ASN 9 -24.510 -12.631 -8.617 49 H PHE 10 H PHE 10 -22.228 -7.347 -6.950 50 HA PHE 10 HA PHE 10 -24.511 -7.170 -8.573 51 HB3 PHE 10 2HB PHE 10 -25.841 -7.412 -6.493 52 HD1 PHE 10 1HD PHE 10 -24.240 -7.688 -4.455 53 HD2 PHE 10 2HD PHE 10 -25.585 -3.879 -5.958 54 HE1 PHE 10 1HE PHE 10 -23.519 -6.597 -2.355 55 HE2 PHE 10 2HE PHE 10 -24.828 -2.781 -3.886 56 HZ PHE 10 HZ PHE 10 -23.779 -4.149 -2.062 57 H VAL 11 H VAL 11 -24.905 -4.740 -9.062 58 HA VAL 11 HA VAL 11 -22.560 -3.255 -9.455 59 HB VAL 11 HB VAL 11 -24.452 -2.942 -10.826 60 HG11 VAL 11 1HG1 VAL 11 -26.093 -1.893 -8.477 61 HG12 VAL 11 2HG1 VAL 11 -26.583 -1.953 -10.166 62 HG13 VAL 11 3HG1 VAL 11 -26.321 -3.455 -9.277 63 HG21 VAL 11 3HG2 VAL 11 -24.089 -0.397 -9.204 64 HG22 VAL 11 1HG2 VAL 11 -23.029 -0.962 -10.514 65 HG23 VAL 11 2HG2 VAL 11 -24.708 -0.520 -10.856 66 H SER 12 H SER 12 -21.221 -2.534 -7.798 67 HA SER 12 HA SER 12 -22.253 -1.750 -5.236 68 HB3 SER 12 2HB SER 12 -20.031 -1.129 -4.729 69 HG SER 12 HG SER 12 -20.244 -3.356 -5.375 70 HA PRO 13 HA PRO 13 -23.709 2.235 -6.430 71 HB3 PRO 13 2HB PRO 13 -24.640 2.335 -4.310 72 HG3 PRO 13 2HG PRO 13 -23.400 1.747 -2.359 73 HD3 PRO 13 2HD PRO 13 -23.306 -0.148 -3.768 74 H ASN 14 H ASN 14 -23.079 4.719 -6.320 75 HA ASN 14 HA ASN 14 -20.171 5.091 -6.707 76 HB3 ASN 14 2HB ASN 14 -21.061 7.149 -8.000 77 HD21 ASN 14 1HD2 ASN 14 -22.723 4.655 -9.759 78 HD22 ASN 14 2HD2 ASN 14 -21.327 4.097 -10.642 79 H LEU 15 H LEU 15 -19.391 6.326 -5.236 80 HA LEU 15 HA LEU 15 -20.993 8.625 -4.416 81 HB3 LEU 15 2HB LEU 15 -21.018 7.198 -2.425 82 HG LEU 15 HG LEU 15 -18.032 7.823 -2.369 83 HD11 LEU 15 1HD1 LEU 15 -18.875 8.965 -0.529 84 HD12 LEU 15 2HD1 LEU 15 -18.189 7.462 0.092 85 HD13 LEU 15 3HD1 LEU 15 -19.974 7.652 -0.085 86 HD21 LEU 15 3HD2 LEU 15 -19.703 5.414 -1.510 87 HD22 LEU 15 1HD2 LEU 15 -17.922 5.543 -1.473 88 HD23 LEU 15 2HD2 LEU 15 -18.782 5.547 -3.022 89 H GLN 16 H GLN 16 -20.133 10.214 -5.450 90 HA GLN 16 HA GLN 16 -17.408 10.181 -6.457 91 HB3 GLN 16 2HB GLN 16 -18.118 12.255 -7.554 92 HG3 GLN 16 2HG GLN 16 -20.562 10.518 -7.796 93 HE21 GLN 16 1HE2 GLN 16 -19.318 9.648 -10.479 94 HE22 GLN 16 2HE2 GLN 16 -19.549 11.061 -11.483 95 H LEU 17 H LEU 17 -17.405 10.210 -3.488 96 HA LEU 17 HA LEU 17 -16.468 12.845 -2.777 97 HB3 LEU 17 2HB LEU 17 -17.921 13.234 -1.044 98 HG LEU 17 HG LEU 17 -19.236 13.189 -3.396 99 HD11 LEU 17 1HD1 LEU 17 -21.213 11.803 -3.347 100 HD12 LEU 17 2HD1 LEU 17 -20.873 11.255 -1.688 101 HD13 LEU 17 3HD1 LEU 17 -19.836 10.737 -3.017 102 HD21 LEU 17 3HD2 LEU 17 -20.557 13.477 -0.681 103 HD22 LEU 17 1HD2 LEU 17 -21.283 13.992 -2.225 104 HD23 LEU 17 2HD2 LEU 17 -19.801 14.752 -1.646 105 H LYS 18 H LYS 18 -14.801 12.442 -1.647 106 HA LYS 18 HA LYS 18 -14.227 9.843 -0.254 107 HB3 LYS 18 2HB LYS 18 -11.855 10.164 -1.243 108 HG3 LYS 18 2HG LYS 18 -14.122 8.832 -2.412 109 HD3 LYS 18 2HD LYS 18 -13.983 10.154 -4.409 110 HE3 LYS 18 2HE LYS 18 -10.989 9.669 -4.158 111 HZ1 LYS 18 3HZ LYS 18 -10.729 10.582 -6.303 112 HZ2 LYS 18 1HZ LYS 18 -12.358 10.692 -6.560 113 HZ3 LYS 18 2HZ LYS 18 -11.615 9.207 -6.433 114 H GLN 19 H GLN 19 -14.405 10.784 1.816 115 HA GLN 19 HA GLN 19 -12.877 13.186 2.498 116 HB3 GLN 19 2HB GLN 19 -13.566 12.065 4.873 117 HG3 GLN 19 2HG GLN 19 -14.393 14.194 4.414 118 HE21 GLN 19 1HE2 GLN 19 -16.604 12.119 2.328 119 HE22 GLN 19 2HE2 GLN 19 -17.021 13.469 1.294 120 H ASN 20 H ASN 20 -11.533 12.721 4.618 121 HA ASN 20 HA ASN 20 -9.164 11.449 3.518 122 HB3 ASN 20 2HB ASN 20 -9.420 12.838 6.194 123 HD21 ASN 20 1HD2 ASN 20 -7.713 11.159 6.607 124 HD22 ASN 20 2HD2 ASN 20 -6.036 11.567 6.180 125 H VAL 21 H VAL 21 -9.992 9.259 3.635 126 HA VAL 21 HA VAL 21 -9.540 8.015 6.309 127 HB VAL 21 HB VAL 21 -11.808 7.952 5.937 128 HG11 VAL 21 1HG1 VAL 21 -11.334 6.894 3.123 129 HG12 VAL 21 2HG1 VAL 21 -12.905 6.844 3.939 130 HG13 VAL 21 3HG1 VAL 21 -12.152 8.400 3.607 131 HG21 VAL 21 3HG2 VAL 21 -10.774 5.810 6.746 132 HG22 VAL 21 1HG2 VAL 21 -12.345 5.593 5.958 133 HG23 VAL 21 2HG2 VAL 21 -10.855 5.194 5.083 134 H LEU 22 H LEU 22 -8.292 6.216 6.422 135 HA LEU 22 HA LEU 22 -6.301 5.933 4.336 136 HB3 LEU 22 2HB LEU 22 -5.356 4.197 5.765 137 HG LEU 22 HG LEU 22 -6.384 6.379 7.618 138 HD11 LEU 22 1HD1 LEU 22 -4.513 5.794 9.047 139 HD12 LEU 22 2HD1 LEU 22 -3.919 4.592 7.870 140 HD13 LEU 22 3HD1 LEU 22 -5.445 4.331 8.719 141 HD21 LEU 22 3HD2 LEU 22 -5.150 7.331 5.701 142 HD22 LEU 22 1HD2 LEU 22 -3.786 6.224 6.028 143 HD23 LEU 22 2HD2 LEU 22 -4.236 7.492 7.199 144 HA PRO 23 HA PRO 23 -8.553 2.802 2.103 145 HB3 PRO 23 2HB PRO 23 -7.168 3.015 0.311 146 HG3 PRO 23 2HG PRO 23 -4.904 3.648 0.609 147 HD3 PRO 23 2HD PRO 23 -6.062 5.165 2.003 148 HA PRO 24 HA PRO 24 -8.785 -0.805 4.507 149 HB3 PRO 24 2HB PRO 24 -10.626 -1.387 3.283 150 HG3 PRO 24 2HG PRO 24 -10.697 -1.110 0.933 151 HD3 PRO 24 2HD PRO 24 -9.955 0.978 1.721 152 H THR 25 H THR 25 -8.238 -3.401 4.542 153 HA THR 25 HA THR 25 -5.514 -3.892 3.584 154 HB THR 25 HB THR 25 -5.198 -4.534 6.257 155 HG1 THR 25 1HG THR 25 -7.055 -2.508 6.092 156 HG21 THR 25 3HG2 THR 25 -3.668 -3.366 4.685 157 HG22 THR 25 1HG2 THR 25 -3.631 -2.724 6.323 158 HG23 THR 25 2HG2 THR 25 -4.494 -1.842 5.032 159 HA PRO 26 HA PRO 26 -6.849 -8.051 3.603 160 HB3 PRO 26 2HB PRO 26 -4.788 -8.774 2.734 161 HG3 PRO 26 2HG PRO 26 -2.826 -7.672 3.418 162 HD3 PRO 26 2HD PRO 26 -3.922 -5.648 3.374 163 H LYS 27 H LYS 27 -7.446 -9.840 4.989 164 HA LYS 27 HA LYS 27 -7.866 -8.929 7.712 165 HB3 LYS 27 2HB LYS 27 -9.764 -9.816 6.512 166 HG3 LYS 27 2HG LYS 27 -8.190 -12.416 6.437 167 HD3 LYS 27 2HD LYS 27 -10.985 -11.914 5.339 168 HE3 LYS 27 2HE LYS 27 -9.418 -13.964 4.767 169 HZ1 LYS 27 3HZ LYS 27 -10.739 -14.965 7.226 170 HZ2 LYS 27 1HZ LYS 27 -9.171 -14.535 7.214 171 HZ3 LYS 27 2HZ LYS 27 -9.716 -15.788 6.279 172 H ASN 28 H ASN 28 -5.309 -9.148 7.722 173 HA ASN 28 HA ASN 28 -4.766 -11.552 9.311 174 HB3 ASN 28 2HB ASN 28 -2.440 -11.492 8.308 175 HD21 ASN 28 1HD2 ASN 28 -4.200 -11.365 5.362 176 HD22 ASN 28 2HD2 ASN 28 -4.857 -13.004 5.392 177 H ILE 29 H ILE 29 -3.703 -8.089 8.635 178 HA ILE 29 HA ILE 29 -2.883 -7.926 11.456 179 HB ILE 29 HB ILE 29 -0.655 -7.367 10.941 180 HG13 ILE 29 2HG1 ILE 29 0.374 -7.266 8.761 181 HG21 ILE 29 1HG2 ILE 29 -1.231 -9.827 9.315 182 HG22 ILE 29 2HG2 ILE 29 0.331 -9.337 9.973 183 HG23 ILE 29 3HG2 ILE 29 -0.996 -9.731 11.074 184 HD11 ILE 29 3HD1 ILE 29 -0.757 -7.144 6.742 185 HD12 ILE 29 1HD1 ILE 29 -1.251 -8.683 7.431 186 HD13 ILE 29 2HD1 ILE 29 -2.362 -7.277 7.461 187 HA PRO 30 HA PRO 30 -4.112 -3.641 10.777 188 HB3 PRO 30 2HB PRO 30 -3.909 -3.392 13.044 189 HG3 PRO 30 2HG PRO 30 -2.029 -4.250 14.243 190 HD3 PRO 30 2HD PRO 30 -2.854 -6.148 13.061 191 H LEU 31 H LEU 31 -3.364 -1.404 10.090 192 HA LEU 31 HA LEU 31 -1.665 -1.249 7.974 193 HB3 LEU 31 2HB LEU 31 -2.277 0.946 10.006 194 HG LEU 31 HG LEU 31 -2.295 2.396 7.913 195 HD11 LEU 31 1HD1 LEU 31 0.497 1.691 8.870 196 HD12 LEU 31 2HD1 LEU 31 -0.668 2.718 9.755 197 HD13 LEU 31 3HD1 LEU 31 -0.094 3.222 8.172 198 HD21 LEU 31 3HD2 LEU 31 -0.905 1.959 6.068 199 HD22 LEU 31 1HD2 LEU 31 -1.881 0.505 6.290 200 HD23 LEU 31 2HD2 LEU 31 -0.181 0.516 6.813 201 HA PRO 32 HA PRO 32 2.218 -0.070 10.419 202 HB3 PRO 32 2HB PRO 32 1.742 1.160 12.313 203 HG3 PRO 32 2HG PRO 32 -0.038 0.483 13.804 204 HD3 PRO 32 2HD PRO 32 -0.775 0.990 11.590 205 H ALA 33 H ALA 33 0.630 -2.939 10.320 206 HA ALA 33 HA ALA 33 3.092 -4.482 10.912 207 HB1 ALA 33 1HB ALA 33 1.310 -5.202 12.395 208 HB2 ALA 33 2HB ALA 33 0.236 -5.388 10.992 209 HB3 ALA 33 3HB ALA 33 1.661 -6.441 11.163 210 H PHE 34 H PHE 34 0.301 -3.970 8.734 211 HA PHE 34 HA PHE 34 1.063 -5.799 6.763 212 HB3 PHE 34 2HB PHE 34 -0.475 -3.198 6.476 213 HD1 PHE 34 1HD PHE 34 0.057 -6.650 4.909 214 HD2 PHE 34 2HD PHE 34 -1.435 -2.648 4.452 215 HE1 PHE 34 1HE PHE 34 -0.323 -7.085 2.543 216 HE2 PHE 34 2HE PHE 34 -1.889 -3.110 2.039 217 HZ PHE 34 HZ PHE 34 -1.301 -5.312 1.072 218 H GLY 35 H GLY 35 2.678 -2.986 7.595 219 HA2 GLY 35 1HA GLY 35 4.067 -2.686 4.977 220 HA3 GLY 35 2HA GLY 35 3.958 -1.481 6.250 221 H GLN 36 H GLN 36 4.733 -2.109 8.370 222 HA GLN 36 HA GLN 36 7.397 -2.416 8.500 223 HB3 GLN 36 2HB GLN 36 6.987 -3.059 10.924 224 HG3 GLN 36 2HG GLN 36 7.085 -0.687 10.556 225 HE21 GLN 36 1HE2 GLN 36 5.060 1.012 11.666 226 HE22 GLN 36 2HE2 GLN 36 3.951 1.446 10.376 227 H ARG 37 H ARG 37 5.093 -5.064 9.300 228 HA ARG 37 HA ARG 37 7.368 -6.900 9.685 229 HB3 ARG 37 2HB ARG 37 5.821 -8.296 10.839 230 HG3 ARG 37 2HG ARG 37 4.665 -5.672 11.728 231 HD3 ARG 37 2HD ARG 37 4.473 -8.065 12.858 232 HE ARG 37 HE ARG 37 7.240 -7.366 13.272 233 HH11 ARG 37 1HH1 ARG 37 4.507 -8.964 14.960 234 HH12 ARG 37 2HH1 ARG 37 5.538 -9.898 15.970 235 HH21 ARG 37 1HH2 ARG 37 8.559 -8.613 14.615 236 HH22 ARG 37 2HH2 ARG 37 7.893 -9.570 15.899 237 H ILE 38 H ILE 38 6.147 -6.022 6.930 238 HA ILE 38 HA ILE 38 5.823 -8.763 5.794 239 HB ILE 38 HB ILE 38 4.010 -6.362 5.347 240 HG13 ILE 38 2HG1 ILE 38 2.196 -7.551 6.228 241 HG21 ILE 38 1HG2 ILE 38 4.198 -7.429 3.246 242 HG22 ILE 38 2HG2 ILE 38 4.002 -9.048 3.956 243 HG23 ILE 38 3HG2 ILE 38 2.640 -7.898 3.919 244 HD11 ILE 38 3HD1 ILE 38 3.946 -9.882 6.947 245 HD12 ILE 38 1HD1 ILE 38 2.243 -9.625 7.365 246 HD13 ILE 38 2HD1 ILE 38 2.688 -9.885 5.678 247 H ILE 39 H ILE 39 5.732 -5.336 4.797 248 HA ILE 39 HA ILE 39 7.051 -5.768 2.284 249 HB ILE 39 HB ILE 39 6.512 -3.172 3.809 250 HG13 ILE 39 2HG1 ILE 39 4.371 -2.922 2.728 251 HG21 ILE 39 1HG2 ILE 39 6.338 -2.154 1.589 252 HG22 ILE 39 2HG2 ILE 39 7.946 -2.829 1.852 253 HG23 ILE 39 3HG2 ILE 39 6.802 -3.700 0.826 254 HD11 ILE 39 3HD1 ILE 39 3.187 -4.781 1.671 255 HD12 ILE 39 1HD1 ILE 39 4.571 -4.296 0.677 256 HD13 ILE 39 2HD1 ILE 39 4.662 -5.754 1.702 257 H GLY 40 H GLY 40 8.172 -5.029 5.576 258 HA2 GLY 40 1HA GLY 40 10.375 -4.862 6.338 259 HA3 GLY 40 2HA GLY 40 10.952 -5.155 4.704 260 H TRP 41 H TRP 41 8.695 -2.646 4.638 261 HA TRP 41 HA TRP 41 10.579 -0.634 3.931 262 HB3 TRP 41 2HB TRP 41 8.186 -0.957 3.125 263 HD1 TRP 41 HD TRP 41 7.790 -1.037 6.680 264 HE1 TRP 41 1HE TRP 41 5.599 -0.082 7.552 265 HE3 TRP 41 3HE TRP 41 6.066 1.161 2.377 266 HZ2 TRP 41 2HZ TRP 41 3.304 1.279 6.518 267 HZ3 TRP 41 3HZ TRP 41 3.854 2.155 2.322 268 HH2 TRP 41 HH TRP 41 2.427 2.238 4.396 269 H GLY 42 H GLY 42 10.748 -1.620 6.864 270 HA2 GLY 42 1HA GLY 42 10.834 -0.801 9.005 271 HA3 GLY 42 2HA GLY 42 11.533 0.635 8.240 272 H THR 43 H THR 43 10.444 2.477 8.562 273 HA THR 43 HA THR 43 7.626 2.857 8.790 274 HB THR 43 HB THR 43 7.551 1.419 10.643 275 HG1 THR 43 1HG THR 43 6.828 3.841 10.957 276 HG21 THR 43 3HG2 THR 43 10.077 2.780 11.519 277 HG22 THR 43 1HG2 THR 43 9.716 1.052 11.364 278 HG23 THR 43 2HG2 THR 43 9.032 1.962 12.717 279 H GLY 44 H GLY 44 8.607 4.500 7.458 280 HA2 GLY 44 1HA GLY 44 8.305 6.994 8.486 281 HA3 GLY 44 2HA GLY 44 10.019 6.657 8.728 282 H ALA 45 H ALA 45 11.307 6.811 7.183 283 HA ALA 45 HA ALA 45 10.393 7.282 4.338 284 HB1 ALA 45 1HB ALA 45 12.094 9.123 4.160 285 HB2 ALA 45 2HB ALA 45 10.753 9.545 5.226 286 HB3 ALA 45 3HB ALA 45 12.324 9.067 5.914 287 H GLU 46 H GLU 46 13.261 7.024 6.456 288 HA GLU 46 HA GLU 46 15.053 6.048 4.549 289 HB3 GLU 46 2HB GLU 46 15.901 5.054 7.010 290 HG3 GLU 46 2HG GLU 46 16.747 7.528 7.334 291 H GLY 47 H GLY 47 12.774 4.223 6.692 292 HA2 GLY 47 1HA GLY 47 13.691 1.638 6.085 293 HA3 GLY 47 2HA GLY 47 12.057 2.066 6.531 294 H ALA 48 H ALA 48 11.137 3.586 4.516 295 HA ALA 48 HA ALA 48 10.598 1.662 2.458 296 HB1 ALA 48 1HB ALA 48 8.845 3.168 3.268 297 HB2 ALA 48 2HB ALA 48 9.809 4.588 2.785 298 HB3 ALA 48 3HB ALA 48 9.141 3.487 1.554 299 H ARG 49 H ARG 49 13.171 3.958 2.791 300 HA ARG 49 HA ARG 49 13.544 4.269 -0.148 301 HB3 ARG 49 2HB ARG 49 15.131 4.990 2.343 302 HG3 ARG 49 2HG ARG 49 15.766 6.252 -0.319 303 HD3 ARG 49 2HD ARG 49 17.102 5.683 2.340 304 HE ARG 49 HE ARG 49 18.471 5.959 -0.233 305 HH11 ARG 49 1HH1 ARG 49 18.863 5.958 3.365 306 HH12 ARG 49 2HH1 ARG 49 20.581 5.827 3.209 307 HH21 ARG 49 1HH2 ARG 49 20.594 5.575 -0.326 308 HH22 ARG 49 2HH2 ARG 49 21.540 5.240 1.089 309 H GLN 50 H GLN 50 14.929 2.508 2.693 310 HA GLN 50 HA GLN 50 17.133 1.481 1.257 311 HB3 GLN 50 2HB GLN 50 17.225 -0.053 3.364 312 HG3 GLN 50 2HG GLN 50 17.255 2.958 3.408 313 HE21 GLN 50 1HE2 GLN 50 17.362 4.133 5.267 314 HE22 GLN 50 2HE2 GLN 50 17.002 3.428 6.822 315 H ARG 51 H ARG 51 13.813 0.276 1.626 316 HA ARG 51 HA ARG 51 14.747 -2.207 0.306 317 HB3 ARG 51 2HB ARG 51 12.548 -3.205 0.900 318 HG3 ARG 51 2HG ARG 51 12.816 -3.372 3.283 319 HD3 ARG 51 2HD ARG 51 15.219 -3.844 3.581 320 HE ARG 51 HE ARG 51 13.509 -5.187 1.807 321 HH11 ARG 51 1HH1 ARG 51 16.969 -4.940 2.578 322 HH12 ARG 51 2HH1 ARG 51 17.322 -6.581 2.167 323 HH21 ARG 51 1HH2 ARG 51 13.977 -7.366 1.158 324 HH22 ARG 51 2HH2 ARG 51 15.531 -8.029 1.496 325 H LEU 52 H LEU 52 13.602 0.723 -0.718 326 HA LEU 52 HA LEU 52 11.843 -0.218 -2.869 327 HB3 LEU 52 2HB LEU 52 13.059 2.374 -1.925 328 HG LEU 52 HG LEU 52 13.051 2.600 -4.424 329 HD11 LEU 52 1HD1 LEU 52 10.070 2.361 -4.262 330 HD12 LEU 52 2HD1 LEU 52 11.107 1.052 -4.859 331 HD13 LEU 52 3HD1 LEU 52 11.061 2.603 -5.710 332 HD21 LEU 52 3HD2 LEU 52 11.002 4.263 -2.960 333 HD22 LEU 52 1HD2 LEU 52 11.804 4.681 -4.505 334 HD23 LEU 52 2HD2 LEU 52 12.767 4.536 -3.034 335 H GLU 53 H GLU 53 15.045 1.501 -2.654 336 HA GLU 53 HA GLU 53 15.072 1.725 -5.496 337 HB3 GLU 53 2HB GLU 53 17.134 3.004 -5.169 338 HG3 GLU 53 2HG GLU 53 15.311 3.610 -2.809 339 H ASN 54 H ASN 54 15.754 -0.873 -3.852 340 HA ASN 54 HA ASN 54 17.634 -2.092 -5.758 341 HB3 ASN 54 2HB ASN 54 19.113 -1.443 -4.085 342 HD21 ASN 54 1HD2 ASN 54 16.365 -2.907 -1.981 343 HD22 ASN 54 2HD2 ASN 54 16.478 -1.486 -0.953 344 H ILE 55 H ILE 55 14.617 -2.191 -4.977 345 HA ILE 55 HA ILE 55 14.127 -4.524 -3.466 346 HB ILE 55 HB ILE 55 12.636 -2.534 -4.009 347 HG13 ILE 55 2HG1 ILE 55 12.034 -4.715 -2.781 348 HG21 ILE 55 1HG2 ILE 55 11.818 -4.174 -6.428 349 HG22 ILE 55 2HG2 ILE 55 11.106 -2.661 -5.866 350 HG23 ILE 55 3HG2 ILE 55 12.773 -2.673 -6.482 351 HD11 ILE 55 3HD1 ILE 55 10.742 -2.509 -2.837 352 HD12 ILE 55 1HD1 ILE 55 9.733 -3.229 -4.110 353 HD13 ILE 55 2HD1 ILE 55 9.791 -3.961 -2.495 354 H GLN 56 H GLN 56 13.380 -6.613 -4.085 355 HA GLN 56 HA GLN 56 14.586 -7.449 -6.696 356 HB3 GLN 56 2HB GLN 56 14.829 -9.661 -5.406 357 HG3 GLN 56 2HG GLN 56 16.765 -9.067 -4.131 358 HE21 GLN 56 1HE2 GLN 56 16.984 -5.948 -5.686 359 HE22 GLN 56 2HE2 GLN 56 17.745 -6.508 -7.148 360 HA PRO 57 HA PRO 57 10.616 -9.153 -7.839 361 HB3 PRO 57 2HB PRO 57 11.616 -9.861 -9.791 362 HG3 PRO 57 2HG PRO 57 13.809 -10.803 -9.826 363 HD3 PRO 57 2HD PRO 57 13.970 -8.672 -8.801 364 H ALA 58 H ALA 58 12.838 -10.872 -5.688 365 HA ALA 58 HA ALA 58 10.807 -12.842 -4.927 366 HB1 ALA 58 1HB ALA 58 12.495 -13.575 -3.331 367 HB2 ALA 58 2HB ALA 58 13.207 -13.399 -4.948 368 HB3 ALA 58 3HB ALA 58 13.500 -12.155 -3.696 369 H ASP 59 H ASP 59 11.549 -9.533 -4.001 370 HA ASP 59 HA ASP 59 10.649 -9.861 -1.240 371 HB3 ASP 59 2HB ASP 59 11.038 -7.194 -2.560 372 H VAL 60 H VAL 60 9.302 -9.168 -4.380 373 HA VAL 60 HA VAL 60 6.741 -8.141 -3.300 374 HB VAL 60 HB VAL 60 7.222 -7.245 -5.403 375 HG11 VAL 60 1HG1 VAL 60 7.654 -8.476 -7.442 376 HG12 VAL 60 2HG1 VAL 60 8.938 -8.744 -6.275 377 HG13 VAL 60 3HG1 VAL 60 7.691 -9.995 -6.584 378 HG21 VAL 60 3HG2 VAL 60 5.302 -9.431 -6.185 379 HG22 VAL 60 1HG2 VAL 60 4.870 -8.124 -5.064 380 HG23 VAL 60 2HG2 VAL 60 5.389 -7.730 -6.708 381 H SER 61 H SER 61 8.020 -11.061 -4.930 382 HA SER 61 HA SER 61 5.920 -12.805 -4.233 383 HB3 SER 61 2HB SER 61 7.422 -14.440 -5.284 384 HG SER 61 HG SER 61 7.655 -12.964 -7.266 385 H MET 62 H MET 62 6.843 -11.542 -1.869 386 HA MET 62 HA MET 62 6.923 -14.044 -0.314 387 HB3 MET 62 2HB MET 62 9.148 -12.957 -0.116 388 HG3 MET 62 2HG MET 62 7.722 -10.901 1.606 389 HE1 MET 62 3HE MET 62 10.631 -12.858 2.145 390 HE2 MET 62 1HE MET 62 11.109 -11.627 3.346 391 HE3 MET 62 2HE MET 62 9.398 -12.106 3.165 392 H ILE 63 H ILE 63 5.831 -10.713 -0.765 393 HA ILE 63 HA ILE 63 4.230 -10.505 1.589 394 HB ILE 63 HB ILE 63 4.042 -9.028 -1.058 395 HG13 ILE 63 2HG1 ILE 63 6.309 -8.880 0.253 396 HG21 ILE 63 1HG2 ILE 63 2.765 -8.667 1.690 397 HG22 ILE 63 2HG2 ILE 63 2.964 -7.280 0.608 398 HG23 ILE 63 3HG2 ILE 63 2.018 -8.676 0.106 399 HD11 ILE 63 3HD1 ILE 63 6.388 -6.390 -0.061 400 HD12 ILE 63 1HD1 ILE 63 5.881 -7.310 -1.494 401 HD13 ILE 63 2HD1 ILE 63 4.689 -6.433 -0.543 402 H LYS 64 H LYS 64 3.578 -11.426 -1.794 403 HA LYS 64 HA LYS 64 0.809 -11.747 -1.721 404 HB3 LYS 64 2HB LYS 64 1.183 -13.576 -3.430 405 HG3 LYS 64 2HG LYS 64 2.179 -10.785 -3.564 406 HD3 LYS 64 2HD LYS 64 4.125 -11.864 -4.535 407 HE3 LYS 64 2HE LYS 64 2.307 -12.822 -6.769 408 HZ1 LYS 64 3HZ LYS 64 4.963 -12.563 -6.840 409 HZ2 LYS 64 1HZ LYS 64 4.149 -13.671 -7.706 410 HZ3 LYS 64 2HZ LYS 64 4.848 -14.096 -6.287 411 H LYS 65 H LYS 65 3.257 -13.903 -0.366 412 HA LYS 65 HA LYS 65 1.425 -16.113 0.063 413 HB3 LYS 65 2HB LYS 65 3.371 -16.965 1.479 414 HG3 LYS 65 2HG LYS 65 3.083 -16.876 -1.282 415 HD3 LYS 65 2HD LYS 65 5.064 -15.032 -1.044 416 HE3 LYS 65 2HE LYS 65 7.211 -16.153 -1.508 417 HZ1 LYS 65 3HZ LYS 65 6.318 -17.463 0.971 418 HZ2 LYS 65 1HZ LYS 65 6.627 -15.850 0.956 419 HZ3 LYS 65 2HZ LYS 65 7.801 -16.903 0.555 420 H GLN 66 H GLN 66 1.961 -13.142 1.762 421 HA GLN 66 HA GLN 66 1.086 -14.286 4.349 422 HB3 GLN 66 2HB GLN 66 1.148 -11.606 4.759 423 HG3 GLN 66 2HG GLN 66 3.035 -13.826 5.090 424 HE21 GLN 66 1HE2 GLN 66 4.436 -12.113 2.982 425 HE22 GLN 66 2HE2 GLN 66 5.655 -11.282 3.927 426 H GLY 67 H GLY 67 -0.500 -13.389 1.502 427 HA2 GLY 67 1HA GLY 67 -2.917 -13.672 1.411 428 HA3 GLY 67 2HA GLY 67 -3.037 -13.018 3.045 429 H THR 68 H THR 68 -1.441 -11.932 -0.031 430 HA THR 68 HA THR 68 -2.922 -9.399 0.228 431 HB THR 68 HB THR 68 0.031 -9.832 -0.433 432 HG1 THR 68 1HG THR 68 -1.302 -9.054 1.929 433 HG21 THR 68 3HG2 THR 68 0.159 -7.340 -0.087 434 HG22 THR 68 1HG2 THR 68 -1.601 -7.283 -0.069 435 HG23 THR 68 2HG2 THR 68 -0.753 -7.820 -1.529 436 H THR 69 H THR 69 -3.578 -8.576 -1.826 437 HA THR 69 HA THR 69 -2.876 -10.111 -4.255 438 HB THR 69 HB THR 69 -5.102 -9.121 -5.036 439 HG1 THR 69 1HG THR 69 -6.585 -8.680 -3.455 440 HG21 THR 69 3HG2 THR 69 -6.399 -10.995 -4.038 441 HG22 THR 69 1HG2 THR 69 -5.075 -11.291 -2.899 442 HG23 THR 69 2HG2 THR 69 -4.813 -11.491 -4.655 443 H LEU 70 H LEU 70 -3.097 -8.755 -6.180 444 HA LEU 70 HA LEU 70 -1.273 -6.702 -6.182 445 HB3 LEU 70 2HB LEU 70 -3.737 -6.939 -8.023 446 HG LEU 70 HG LEU 70 -1.579 -6.886 -9.565 447 HD11 LEU 70 1HD1 LEU 70 -3.213 -4.488 -9.157 448 HD12 LEU 70 2HD1 LEU 70 -3.579 -5.955 -10.087 449 HD13 LEU 70 3HD1 LEU 70 -2.195 -4.970 -10.579 450 HD21 LEU 70 3HD2 LEU 70 -0.064 -6.023 -7.689 451 HD22 LEU 70 1HD2 LEU 70 -0.893 -4.483 -7.893 452 HD23 LEU 70 2HD2 LEU 70 0.019 -5.254 -9.230 453 H GLU 71 H GLU 71 -4.755 -6.562 -6.225 454 HA GLU 71 HA GLU 71 -4.906 -3.907 -6.770 455 HB3 GLU 71 2HB GLU 71 -7.385 -4.303 -5.854 456 HG3 GLU 71 2HG GLU 71 -7.358 -6.441 -7.681 457 H MET 72 H MET 72 -4.141 -5.332 -3.848 458 HA MET 72 HA MET 72 -5.122 -3.494 -1.851 459 HB3 MET 72 2HB MET 72 -2.658 -5.131 -1.365 460 HG3 MET 72 2HG MET 72 -5.379 -4.872 -0.065 461 HE1 MET 72 3HE MET 72 -5.371 -7.564 -0.894 462 HE2 MET 72 1HE MET 72 -5.286 -8.625 0.520 463 HE3 MET 72 2HE MET 72 -6.347 -7.191 0.542 464 H ILE 73 H ILE 73 -2.183 -3.982 -3.796 465 HA ILE 73 HA ILE 73 -0.547 -2.094 -2.347 466 HB ILE 73 HB ILE 73 -0.159 -3.570 -4.999 467 HG13 ILE 73 2HG1 ILE 73 1.161 -5.220 -3.637 468 HG21 ILE 73 1HG2 ILE 73 2.214 -3.325 -4.658 469 HG22 ILE 73 2HG2 ILE 73 1.428 -1.748 -4.772 470 HG23 ILE 73 3HG2 ILE 73 1.957 -2.348 -3.194 471 HD11 ILE 73 3HD1 ILE 73 1.573 -3.968 -1.555 472 HD12 ILE 73 1HD1 ILE 73 -0.184 -3.888 -1.232 473 HD13 ILE 73 2HD1 ILE 73 0.638 -5.427 -1.206 474 H THR 74 H THR 74 -2.357 -2.083 -5.423 475 HA THR 74 HA THR 74 -1.329 0.381 -6.387 476 HB THR 74 HB THR 74 -3.428 0.133 -7.860 477 HG1 THR 74 1HG THR 74 -4.445 -1.906 -7.605 478 HG21 THR 74 3HG2 THR 74 -1.664 -2.356 -7.576 479 HG22 THR 74 1HG2 THR 74 -1.191 -0.876 -8.420 480 HG23 THR 74 2HG2 THR 74 -2.554 -1.833 -9.019 481 H ALA 75 H ALA 75 -4.066 -0.378 -4.249 482 HA ALA 75 HA ALA 75 -5.047 2.365 -4.210 483 HB1 ALA 75 1HB ALA 75 -6.233 1.666 -2.174 484 HB2 ALA 75 2HB ALA 75 -6.425 0.449 -3.459 485 HB3 ALA 75 3HB ALA 75 -5.282 0.168 -2.115 486 H TRP 76 H TRP 76 -2.513 0.613 -2.458 487 HA TRP 76 HA TRP 76 -2.244 2.712 -0.459 488 HB3 TRP 76 2HB TRP 76 -0.069 1.313 0.003 489 HD1 TRP 76 HD TRP 76 -2.387 -1.463 0.368 490 HE1 TRP 76 1HE TRP 76 -3.707 -1.370 2.589 491 HE3 TRP 76 3HE TRP 76 -1.303 3.323 1.707 492 HZ2 TRP 76 2HZ TRP 76 -4.063 0.517 4.764 493 HZ3 TRP 76 3HZ TRP 76 -2.179 4.274 3.843 494 HH2 TRP 76 HH TRP 76 -3.532 2.897 5.350 495 H GLN 77 H GLN 77 -0.427 1.910 -3.572 496 HA GLN 77 HA GLN 77 1.647 3.682 -2.939 497 HB3 GLN 77 2HB GLN 77 1.578 1.938 -4.709 498 HG3 GLN 77 2HG GLN 77 0.229 3.870 -6.501 499 HE21 GLN 77 1HE2 GLN 77 1.746 3.718 -8.237 500 HE22 GLN 77 2HE2 GLN 77 2.041 2.174 -9.003 501 H ASP 78 H ASP 78 -1.385 4.084 -4.799 502 HA ASP 78 HA ASP 78 -1.046 6.750 -5.554 503 HB3 ASP 78 2HB ASP 78 -3.845 5.899 -5.042 504 H PHE 79 H PHE 79 -2.293 5.344 -2.565 505 HA PHE 79 HA PHE 79 -3.500 7.734 -1.479 506 HB3 PHE 79 2HB PHE 79 -2.268 5.325 -0.104 507 HD1 PHE 79 2HD PHE 79 -5.010 7.839 0.640 508 HD2 PHE 79 1HD PHE 79 -1.415 5.879 2.008 509 HE1 PHE 79 2HE PHE 79 -5.190 9.021 2.820 510 HE2 PHE 79 1HE PHE 79 -1.627 7.024 4.189 511 HZ PHE 79 HZ PHE 79 -3.501 8.638 4.580 512 H TYR 80 H TYR 80 -0.142 6.525 -1.420 513 HA TYR 80 HA TYR 80 0.718 8.794 0.237 514 HB3 TYR 80 2HB TYR 80 2.990 7.810 -0.120 515 HD1 TYR 80 2HD TYR 80 1.908 8.303 2.279 516 HD2 TYR 80 1HD TYR 80 1.705 4.557 0.180 517 HE1 TYR 80 2HE TYR 80 1.247 7.176 4.383 518 HE2 TYR 80 1HE TYR 80 1.055 3.410 2.236 519 HH TYR 80 HH TYR 80 0.279 3.741 4.430 520 H GLU 81 H GLU 81 0.512 8.037 -3.217 521 HA GLU 81 HA GLU 81 2.327 10.142 -4.090 522 HB3 GLU 81 2HB GLU 81 1.086 9.791 -6.283 523 HG3 GLU 81 2HG GLU 81 2.207 7.439 -4.742 524 H GLN 82 H GLN 82 -1.133 10.036 -3.357 525 HA GLN 82 HA GLN 82 -1.755 12.720 -3.957 526 HB3 GLN 82 2HB GLN 82 -3.194 12.086 -1.644 527 HG3 GLN 82 2HG GLN 82 -4.357 12.834 -3.570 528 HE21 GLN 82 1HE2 GLN 82 -3.329 9.383 -4.305 529 HE22 GLN 82 2HE2 GLN 82 -3.601 9.515 -5.998 530 H GLU 83 H GLU 83 0.352 11.555 -1.368 531 HA GLU 83 HA GLU 83 -0.128 13.825 0.415 532 HB3 GLU 83 2HB GLU 83 1.872 13.017 1.594 533 HG3 GLU 83 2HG GLU 83 1.315 10.533 1.875 534 H GLN 84 H GLN 84 2.038 13.001 -2.269 535 HA GLN 84 HA GLN 84 3.908 15.120 -1.733 536 HB3 GLN 84 2HB GLN 84 4.360 14.676 -4.326 537 HG3 GLN 84 2HG GLN 84 5.810 13.901 -2.375 538 HE21 GLN 84 1HE2 GLN 84 4.242 11.022 -3.880 539 HE22 GLN 84 2HE2 GLN 84 3.741 10.390 -2.289 540 H GLN 85 H GLN 85 0.934 14.822 -3.740 541 HA GLN 85 HA GLN 85 1.346 17.220 -5.073 542 HB3 GLN 85 2HB GLN 85 -0.526 15.382 -5.398 543 HG3 GLN 85 2HG GLN 85 -2.094 17.642 -4.069 544 HE21 GLN 85 1HE2 GLN 85 -3.238 14.431 -4.309 545 HE22 GLN 85 2HE2 GLN 85 -4.385 14.652 -5.625 546 H ARG 86 H ARG 86 -0.017 16.772 -1.867 547 HA ARG 86 HA ARG 86 -0.574 19.627 -1.578 548 HB3 ARG 86 2HB ARG 86 -1.974 18.212 -0.274 549 HG3 ARG 86 2HG ARG 86 0.466 17.205 1.248 550 HD3 ARG 86 2HD ARG 86 -2.486 16.553 1.547 551 HE ARG 86 HE ARG 86 -1.186 14.684 2.366 552 HH11 ARG 86 1HH1 ARG 86 -1.070 17.651 4.405 553 HH12 ARG 86 2HH1 ARG 86 -0.816 16.737 5.841 554 HH21 ARG 86 1HH2 ARG 86 -0.495 13.602 4.249 555 HH22 ARG 86 2HH2 ARG 86 -0.354 14.479 5.740 556 H ASN 87 H ASN 87 2.058 17.456 -0.194 557 HA ASN 87 HA ASN 87 3.761 19.817 -0.162 558 HB3 ASN 87 2HB ASN 87 2.778 20.127 1.932 559 HD21 ASN 87 1HD2 ASN 87 3.860 16.680 2.045 560 HD22 ASN 87 2HD2 ASN 87 2.877 16.260 3.453 561 H GLU 88 H GLU 88 4.429 18.354 -1.924 562 HA GLU 88 HA GLU 88 5.788 16.052 -1.881 563 HB3 GLU 88 2HB GLU 88 5.381 17.165 -3.912 564 HG3 GLU 88 2HG GLU 88 6.932 19.468 -2.714 565 H ASN 89 H ASN 89 6.785 18.348 0.216 566 HA ASN 89 HA ASN 89 9.713 17.946 0.094 567 HB3 ASN 89 2HB ASN 89 9.750 19.425 2.038 568 HD21 ASN 89 1HD2 ASN 89 9.369 19.693 -1.128 569 HD22 ASN 89 2HD2 ASN 89 8.781 21.315 -1.305 570 H ASN 90 H ASN 90 7.533 15.767 0.628 571 HA ASN 90 HA ASN 90 8.093 14.925 3.396 572 HB3 ASN 90 2HB ASN 90 5.742 15.602 2.812 573 HD21 ASN 90 1HD2 ASN 90 3.927 13.441 2.144 574 HD22 ASN 90 2HD2 ASN 90 4.280 12.999 0.473 575 HA PRO 91 HA PRO 91 10.106 11.824 0.589 576 HB3 PRO 91 2HB PRO 91 12.212 12.432 1.298 577 HG3 PRO 91 2HG PRO 91 12.489 13.501 3.436 578 HD3 PRO 91 2HD PRO 91 10.854 14.674 2.296 579 H THR 92 H THR 92 8.595 11.582 3.719 580 HA THR 92 HA THR 92 8.790 8.851 4.400 581 HB THR 92 HB THR 92 6.537 10.866 4.807 582 HG1 THR 92 1HG THR 92 7.696 11.874 6.186 583 HG21 THR 92 3HG2 THR 92 7.464 8.797 6.819 584 HG22 THR 92 1HG2 THR 92 6.278 8.381 5.577 585 HG23 THR 92 2HG2 THR 92 5.918 9.685 6.739 586 H ALA 93 H ALA 93 5.946 10.514 3.081 587 HA ALA 93 HA ALA 93 4.577 8.262 2.101 588 HB1 ALA 93 1HB ALA 93 3.386 10.103 0.828 589 HB2 ALA 93 2HB ALA 93 3.506 10.395 2.583 590 HB3 ALA 93 3HB ALA 93 4.594 11.231 1.480 591 H LYS 94 H LYS 94 6.728 10.663 0.470 592 HA LYS 94 HA LYS 94 6.467 9.759 -2.099 593 HB3 LYS 94 2HB LYS 94 9.152 10.665 -1.023 594 HG3 LYS 94 2HG LYS 94 7.471 11.273 -3.481 595 HD3 LYS 94 2HD LYS 94 8.473 13.332 -2.623 596 HE3 LYS 94 2HE LYS 94 11.050 11.692 -2.954 597 HZ1 LYS 94 3HZ LYS 94 12.297 13.622 -2.530 598 HZ2 LYS 94 1HZ LYS 94 10.971 14.619 -2.534 599 HZ3 LYS 94 2HZ LYS 94 11.441 13.859 -3.902 600 H TYR 95 H TYR 95 8.690 8.353 0.357 601 HA TYR 95 HA TYR 95 9.676 6.357 -1.534 602 HB3 TYR 95 2HB TYR 95 10.529 5.304 0.623 603 HD1 TYR 95 1HD TYR 95 11.879 5.994 -1.631 604 HD2 TYR 95 2HD TYR 95 11.641 8.248 2.014 605 HE1 TYR 95 1HE TYR 95 13.796 7.363 -2.379 606 HE2 TYR 95 2HE TYR 95 13.563 9.648 1.270 607 HH TYR 95 HH TYR 95 15.147 9.185 -1.870 608 H ARG 96 H ARG 96 7.151 6.288 1.073 609 HA ARG 96 HA ARG 96 6.509 3.534 0.818 610 HB3 ARG 96 2HB ARG 96 4.218 4.214 1.582 611 HG3 ARG 96 2HG ARG 96 6.317 5.723 3.157 612 HD3 ARG 96 2HD ARG 96 3.736 4.363 3.961 613 HE ARG 96 HE ARG 96 5.952 5.161 5.578 614 HH11 ARG 96 1HH1 ARG 96 2.381 5.348 5.530 615 HH12 ARG 96 2HH1 ARG 96 2.266 5.892 7.171 616 HH21 ARG 96 1HH2 ARG 96 5.702 5.454 7.895 617 HH22 ARG 96 2HH2 ARG 96 4.155 5.793 8.545 618 H ALA 97 H ALA 97 5.209 6.280 -1.038 619 HA ALA 97 HA ALA 97 3.323 5.049 -2.736 620 HB1 ALA 97 1HB ALA 97 3.451 7.438 -2.743 621 HB2 ALA 97 2HB ALA 97 5.217 7.446 -2.895 622 HB3 ALA 97 3HB ALA 97 4.235 6.974 -4.270 623 H ARG 98 H ARG 98 6.654 6.001 -3.459 624 HA ARG 98 HA ARG 98 6.903 4.727 -5.857 625 HB3 ARG 98 2HB ARG 98 9.478 4.779 -5.158 626 HG3 ARG 98 2HG ARG 98 7.762 7.312 -5.235 627 HD3 ARG 98 2HD ARG 98 10.732 6.762 -5.451 628 HE ARG 98 HE ARG 98 9.327 9.180 -6.536 629 HH11 ARG 98 1HH1 ARG 98 12.176 7.027 -6.564 630 HH12 ARG 98 2HH1 ARG 98 13.009 7.965 -7.737 631 HH21 ARG 98 1HH2 ARG 98 10.488 10.352 -8.166 632 HH22 ARG 98 2HH2 ARG 98 11.931 9.706 -8.878 633 H LEU 99 H LEU 99 7.496 3.291 -2.665 634 HA LEU 99 HA LEU 99 8.719 0.873 -3.617 635 HB3 LEU 99 2HB LEU 99 7.227 1.156 -1.003 636 HG LEU 99 HG LEU 99 9.920 -0.035 -1.783 637 HD11 LEU 99 1HD1 LEU 99 8.555 0.103 0.943 638 HD12 LEU 99 2HD1 LEU 99 9.932 1.095 0.435 639 HD13 LEU 99 3HD1 LEU 99 10.144 -0.650 0.609 640 HD21 LEU 99 3HD2 LEU 99 7.610 -1.541 -0.715 641 HD22 LEU 99 1HD2 LEU 99 9.258 -2.138 -0.990 642 HD23 LEU 99 2HD2 LEU 99 8.317 -1.610 -2.369 643 H MET 100 H MET 100 5.394 1.585 -2.478 644 HA MET 100 HA MET 100 4.276 -0.966 -3.156 645 HB3 MET 100 2HB MET 100 2.101 0.265 -3.252 646 HG3 MET 100 2HG MET 100 1.948 0.616 -0.942 647 HE1 MET 100 3HE MET 100 2.150 -1.179 1.139 648 HE2 MET 100 1HE MET 100 1.044 -1.402 -0.261 649 HE3 MET 100 2HE MET 100 1.954 -2.788 0.404 650 H LYS 101 H LYS 101 4.365 2.050 -5.177 651 HA LYS 101 HA LYS 101 3.453 1.012 -7.558 652 HB3 LYS 101 2HB LYS 101 5.775 2.923 -7.227 653 HG3 LYS 101 2HG LYS 101 4.174 3.878 -9.183 654 HD3 LYS 101 2HD LYS 101 6.228 1.717 -9.769 655 HE3 LYS 101 2HE LYS 101 5.166 4.187 -11.224 656 HZ1 LYS 101 3HZ LYS 101 7.513 3.958 -11.675 657 HZ2 LYS 101 1HZ LYS 101 6.651 3.394 -12.990 658 HZ3 LYS 101 2HZ LYS 101 7.340 2.344 -11.980 659 H LYS 102 H LYS 102 6.804 0.755 -6.478 660 HA LYS 102 HA LYS 102 7.665 -0.857 -8.682 661 HB3 LYS 102 2HB LYS 102 9.032 -1.406 -6.083 662 HG3 LYS 102 2HG LYS 102 9.729 -0.571 -8.931 663 HD3 LYS 102 2HD LYS 102 11.588 -0.510 -6.539 664 HE3 LYS 102 2HE LYS 102 12.450 -1.746 -8.556 665 HZ1 LYS 102 3HZ LYS 102 13.090 -0.319 -10.432 666 HZ2 LYS 102 1HZ LYS 102 12.188 0.909 -9.826 667 HZ3 LYS 102 2HZ LYS 102 11.487 -0.481 -10.320 668 H ILE 103 H ILE 103 6.266 -1.883 -5.546 669 HA ILE 103 HA ILE 103 6.635 -4.668 -6.005 670 HB ILE 103 HB ILE 103 4.679 -3.036 -4.335 671 HG13 ILE 103 2HG1 ILE 103 7.288 -3.460 -3.885 672 HG21 ILE 103 1HG2 ILE 103 3.921 -5.038 -3.186 673 HG22 ILE 103 2HG2 ILE 103 3.520 -5.181 -4.901 674 HG23 ILE 103 3HG2 ILE 103 4.907 -6.065 -4.247 675 HD11 ILE 103 3HD1 ILE 103 6.917 -3.510 -1.460 676 HD12 ILE 103 1HD1 ILE 103 6.042 -2.216 -2.277 677 HD13 ILE 103 2HD1 ILE 103 5.166 -3.679 -1.725 678 H ALA 104 H ALA 104 3.935 -2.458 -6.843 679 HA ALA 104 HA ALA 104 2.351 -4.409 -8.249 680 HB1 ALA 104 1HB ALA 104 1.498 -2.276 -7.225 681 HB2 ALA 104 2HB ALA 104 2.426 -1.356 -8.436 682 HB3 ALA 104 3HB ALA 104 1.088 -2.405 -8.933 683 H ASP 105 H ASP 105 5.333 -3.008 -9.174 684 HA ASP 105 HA ASP 105 4.823 -3.022 -12.070 685 HB3 ASP 105 2HB ASP 105 7.316 -2.482 -10.433 686 H LEU 106 H LEU 106 5.935 -5.124 -9.556 687 HA LEU 106 HA LEU 106 7.267 -7.016 -11.434 688 HB3 LEU 106 2HB LEU 106 8.511 -7.712 -9.361 689 HG LEU 106 HG LEU 106 8.822 -4.787 -10.127 690 HD11 LEU 106 1HD1 LEU 106 10.539 -6.536 -8.320 691 HD12 LEU 106 2HD1 LEU 106 9.566 -5.138 -7.827 692 HD13 LEU 106 3HD1 LEU 106 10.956 -4.903 -8.902 693 HD21 LEU 106 3HD2 LEU 106 9.382 -6.388 -11.908 694 HD22 LEU 106 1HD2 LEU 106 10.397 -7.326 -10.798 695 HD23 LEU 106 2HD2 LEU 106 10.847 -5.651 -11.268 696 H TRP 107 H TRP 107 4.406 -6.690 -10.592 697 HA TRP 107 HA TRP 107 3.843 -8.660 -8.675 698 HB3 TRP 107 2HB TRP 107 1.845 -7.565 -10.725 699 HD1 TRP 107 HD TRP 107 -0.460 -8.727 -10.050 700 HE1 TRP 107 1HE TRP 107 -1.424 -9.829 -7.899 701 HE3 TRP 107 3HE TRP 107 3.075 -7.189 -6.779 702 HZ2 TRP 107 2HZ TRP 107 -0.789 -9.828 -5.086 703 HZ3 TRP 107 3HZ TRP 107 2.726 -7.422 -4.370 704 HH2 TRP 107 HH TRP 107 0.754 -8.698 -3.470 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -40.014 -12.060 22.353 2 HA2 GLY 1 1HA GLY 1 -39.636 -11.816 25.289 3 HA3 GLY 1 2HA GLY 1 -38.463 -12.529 24.129 4 H THR 2 H THR 2 -36.974 -11.175 23.181 5 HA THR 2 HA THR 2 -37.800 -8.645 22.278 6 HB THR 2 HB THR 2 -37.013 -7.880 24.444 7 HG1 THR 2 1HG THR 2 -35.461 -6.419 23.620 8 HG21 THR 2 3HG2 THR 2 -34.729 -7.973 25.202 9 HG22 THR 2 1HG2 THR 2 -34.246 -8.953 23.802 10 HG23 THR 2 2HG2 THR 2 -35.345 -9.623 25.029 11 H ASP 3 H ASP 3 -37.419 -9.203 20.233 12 HA ASP 3 HA ASP 3 -35.817 -11.659 19.918 13 HB3 ASP 3 2HB ASP 3 -37.754 -12.594 18.915 14 H PHE 4 H PHE 4 -35.142 -8.822 18.867 15 HA PHE 4 HA PHE 4 -35.367 -9.300 15.928 16 HB3 PHE 4 2HB PHE 4 -36.037 -6.994 15.668 17 HD1 PHE 4 2HD PHE 4 -38.004 -8.519 15.039 18 HD2 PHE 4 1HD PHE 4 -37.412 -7.033 19.047 19 HE1 PHE 4 2HE PHE 4 -40.350 -9.087 15.603 20 HE2 PHE 4 1HE PHE 4 -39.756 -7.639 19.611 21 HZ PHE 4 HZ PHE 4 -41.224 -8.656 17.889 22 H GLY 5 H GLY 5 -33.707 -8.349 14.635 23 HA2 GLY 5 1HA GLY 5 -31.628 -6.646 15.522 24 HA3 GLY 5 2HA GLY 5 -31.118 -8.316 15.808 25 H THR 6 H THR 6 -32.801 -6.461 13.178 26 HA THR 6 HA THR 6 -31.350 -8.048 11.143 27 HB THR 6 HB THR 6 -33.458 -7.285 9.821 28 HG1 THR 6 1HG THR 6 -35.175 -6.662 11.084 29 HG21 THR 6 3HG2 THR 6 -33.147 -9.597 10.665 30 HG22 THR 6 1HG2 THR 6 -34.838 -9.084 10.770 31 HG23 THR 6 2HG2 THR 6 -33.832 -9.125 12.234 32 H THR 7 H THR 7 -30.950 -5.129 12.533 33 HA THR 7 HA THR 7 -31.479 -3.254 10.629 34 HB THR 7 HB THR 7 -29.465 -2.778 12.815 35 HG1 THR 7 1HG THR 7 -31.139 -2.867 14.330 36 HG21 THR 7 3HG2 THR 7 -32.079 -1.373 12.055 37 HG22 THR 7 1HG2 THR 7 -30.458 -0.855 11.552 38 HG23 THR 7 2HG2 THR 7 -30.896 -0.819 13.264 39 H ASN 8 H ASN 8 -29.411 -5.278 9.516 40 HA ASN 8 HA ASN 8 -27.677 -3.180 8.373 41 HB3 ASN 8 2HB ASN 8 -26.233 -5.695 9.171 42 HD21 ASN 8 1HD2 ASN 8 -25.262 -4.721 7.003 43 HD22 ASN 8 2HD2 ASN 8 -24.063 -3.441 7.248 44 H ASN 9 H ASN 9 -29.916 -4.424 7.222 45 HA ASN 9 HA ASN 9 -28.544 -5.409 4.803 46 HB3 ASN 9 2HB ASN 9 -31.110 -6.731 5.759 47 HD21 ASN 9 1HD2 ASN 9 -29.585 -9.253 4.833 48 HD22 ASN 9 2HD2 ASN 9 -29.612 -9.137 3.078 49 H PHE 10 H PHE 10 -28.825 -3.334 3.910 50 HA PHE 10 HA PHE 10 -31.434 -2.767 2.879 51 HB3 PHE 10 2HB PHE 10 -31.830 -1.624 4.937 52 HD1 PHE 10 1HD PHE 10 -29.173 0.716 3.674 53 HD2 PHE 10 2HD PHE 10 -30.583 -1.683 6.968 54 HE1 PHE 10 1HE PHE 10 -27.526 1.800 5.159 55 HE2 PHE 10 2HE PHE 10 -28.947 -0.557 8.465 56 HZ PHE 10 HZ PHE 10 -27.442 1.193 7.575 57 H VAL 11 H VAL 11 -31.266 -0.849 1.344 58 HA VAL 11 HA VAL 11 -28.711 -0.868 -0.085 59 HB VAL 11 HB VAL 11 -30.785 -1.451 -1.258 60 HG11 VAL 11 1HG1 VAL 11 -32.481 -0.224 0.016 61 HG12 VAL 11 2HG1 VAL 11 -31.832 1.322 -0.576 62 HG13 VAL 11 3HG1 VAL 11 -32.575 0.169 -1.700 63 HG21 VAL 11 3HG2 VAL 11 -30.620 -0.032 -3.186 64 HG22 VAL 11 1HG2 VAL 11 -29.875 1.271 -2.249 65 HG23 VAL 11 2HG2 VAL 11 -29.002 -0.253 -2.516 66 H SER 12 H SER 12 -27.882 1.236 -0.834 67 HA SER 12 HA SER 12 -28.397 3.465 1.060 68 HB3 SER 12 2HB SER 12 -26.222 2.965 1.472 69 HG SER 12 HG SER 12 -25.647 2.440 -1.257 70 HA PRO 13 HA PRO 13 -29.562 5.901 -2.504 71 HB3 PRO 13 2HB PRO 13 -30.271 7.467 -0.903 72 HG3 PRO 13 2HG PRO 13 -28.859 8.083 0.941 73 HD3 PRO 13 2HD PRO 13 -29.211 5.751 1.098 74 H ASN 14 H ASN 14 -28.639 7.650 -3.979 75 HA ASN 14 HA ASN 14 -26.236 6.898 -5.112 76 HB3 ASN 14 2HB ASN 14 -28.127 7.948 -6.340 77 HD21 ASN 14 1HD2 ASN 14 -29.525 9.321 -4.827 78 HD22 ASN 14 2HD2 ASN 14 -29.294 11.034 -4.814 79 H LEU 15 H LEU 15 -24.518 7.167 -4.459 80 HA LEU 15 HA LEU 15 -23.415 9.650 -3.165 81 HB3 LEU 15 2HB LEU 15 -22.065 6.941 -3.380 82 HG LEU 15 HG LEU 15 -21.034 9.671 -2.747 83 HD11 LEU 15 1HD1 LEU 15 -20.391 7.375 -0.873 84 HD12 LEU 15 2HD1 LEU 15 -21.318 8.832 -0.450 85 HD13 LEU 15 3HD1 LEU 15 -19.609 8.968 -0.881 86 HD21 LEU 15 3HD2 LEU 15 -19.873 8.324 -4.451 87 HD22 LEU 15 1HD2 LEU 15 -19.689 6.988 -3.306 88 HD23 LEU 15 2HD2 LEU 15 -18.813 8.502 -3.061 89 H GLN 16 H GLN 16 -23.341 10.961 -4.946 90 HA GLN 16 HA GLN 16 -21.616 10.109 -7.231 91 HB3 GLN 16 2HB GLN 16 -22.571 12.132 -8.326 92 HG3 GLN 16 2HG GLN 16 -24.858 11.302 -8.645 93 HE21 GLN 16 1HE2 GLN 16 -23.685 8.108 -7.547 94 HE22 GLN 16 2HE2 GLN 16 -22.974 7.709 -9.077 95 H LEU 17 H LEU 17 -20.487 10.501 -4.609 96 HA LEU 17 HA LEU 17 -18.971 13.054 -4.906 97 HB3 LEU 17 2HB LEU 17 -18.908 13.316 -2.572 98 HG LEU 17 HG LEU 17 -21.098 14.058 -3.882 99 HD11 LEU 17 1HD1 LEU 17 -22.218 12.086 -1.825 100 HD12 LEU 17 2HD1 LEU 17 -22.301 11.866 -3.571 101 HD13 LEU 17 3HD1 LEU 17 -23.154 13.207 -2.845 102 HD21 LEU 17 3HD2 LEU 17 -21.983 15.024 -1.781 103 HD22 LEU 17 1HD2 LEU 17 -20.234 15.219 -1.917 104 HD23 LEU 17 2HD2 LEU 17 -20.902 13.978 -0.834 105 H LYS 18 H LYS 18 -17.471 11.755 -6.035 106 HA LYS 18 HA LYS 18 -16.337 9.326 -4.882 107 HB3 LYS 18 2HB LYS 18 -14.688 9.611 -6.835 108 HG3 LYS 18 2HG LYS 18 -17.709 9.520 -7.249 109 HD3 LYS 18 2HD LYS 18 -15.554 8.787 -9.273 110 HE3 LYS 18 2HE LYS 18 -18.513 8.191 -8.936 111 HZ1 LYS 18 3HZ LYS 18 -17.061 8.088 -11.511 112 HZ2 LYS 18 1HZ LYS 18 -18.343 9.059 -11.120 113 HZ3 LYS 18 2HZ LYS 18 -18.522 7.431 -11.196 114 H GLN 19 H GLN 19 -13.996 9.058 -4.284 115 HA GLN 19 HA GLN 19 -12.737 11.402 -3.091 116 HB3 GLN 19 2HB GLN 19 -14.545 11.008 -1.560 117 HG3 GLN 19 2HG GLN 19 -14.247 8.188 -2.141 118 HE21 GLN 19 1HE2 GLN 19 -12.383 7.279 -1.026 119 HE22 GLN 19 2HE2 GLN 19 -12.324 7.223 0.707 120 H ASN 20 H ASN 20 -10.977 10.523 -1.527 121 HA ASN 20 HA ASN 20 -9.190 8.869 -3.066 122 HB3 ASN 20 2HB ASN 20 -8.740 9.827 -0.226 123 HD21 ASN 20 1HD2 ASN 20 -7.416 7.451 -1.480 124 HD22 ASN 20 2HD2 ASN 20 -5.843 8.004 -2.030 125 H VAL 21 H VAL 21 -10.676 7.037 -3.060 126 HA VAL 21 HA VAL 21 -10.745 5.252 -0.766 127 HB VAL 21 HB VAL 21 -11.114 4.766 -3.757 128 HG11 VAL 21 1HG1 VAL 21 -11.683 2.933 -1.401 129 HG12 VAL 21 2HG1 VAL 21 -12.357 2.691 -3.029 130 HG13 VAL 21 3HG1 VAL 21 -10.616 2.623 -2.802 131 HG21 VAL 21 3HG2 VAL 21 -12.856 6.258 -2.847 132 HG22 VAL 21 1HG2 VAL 21 -13.536 4.680 -3.206 133 HG23 VAL 21 2HG2 VAL 21 -13.164 5.101 -1.526 134 H LEU 22 H LEU 22 -9.436 3.177 -0.772 135 HA LEU 22 HA LEU 22 -6.628 3.795 -1.409 136 HB3 LEU 22 2HB LEU 22 -6.248 1.578 -0.151 137 HG LEU 22 HG LEU 22 -7.679 3.829 1.308 138 HD11 LEU 22 1HD1 LEU 22 -7.737 1.750 2.613 139 HD12 LEU 22 2HD1 LEU 22 -6.669 2.934 3.353 140 HD13 LEU 22 3HD1 LEU 22 -5.969 1.574 2.443 141 HD21 LEU 22 3HD2 LEU 22 -5.400 4.499 2.009 142 HD22 LEU 22 1HD2 LEU 22 -5.623 4.644 0.272 143 HD23 LEU 22 2HD2 LEU 22 -4.713 3.258 0.921 144 HA PRO 23 HA PRO 23 -6.477 1.154 -4.965 145 HB3 PRO 23 2HB PRO 23 -4.316 1.581 -5.441 146 HG3 PRO 23 2HG PRO 23 -2.978 2.517 -3.758 147 HD3 PRO 23 2HD PRO 23 -4.972 3.551 -3.112 148 HA PRO 24 HA PRO 24 -7.284 -3.129 -3.981 149 HB3 PRO 24 2HB PRO 24 -7.361 -3.735 -6.165 150 HG3 PRO 24 2HG PRO 24 -5.966 -2.651 -7.779 151 HD3 PRO 24 2HD PRO 24 -6.969 -0.904 -6.537 152 H THR 25 H THR 25 -6.054 -5.351 -3.486 153 HA THR 25 HA THR 25 -3.402 -5.175 -2.453 154 HB THR 25 HB THR 25 -4.730 -5.713 -0.035 155 HG1 THR 25 1HG THR 25 -5.798 -3.329 -1.133 156 HG21 THR 25 3HG2 THR 25 -3.525 -3.044 -0.818 157 HG22 THR 25 1HG2 THR 25 -2.600 -4.474 -0.347 158 HG23 THR 25 2HG2 THR 25 -3.672 -3.680 0.809 159 HA PRO 26 HA PRO 26 -4.119 -9.463 -2.798 160 HB3 PRO 26 2HB PRO 26 -1.821 -9.772 -2.544 161 HG3 PRO 26 2HG PRO 26 -0.635 -8.564 -0.890 162 HD3 PRO 26 2HD PRO 26 -1.766 -6.766 -1.795 163 H LYS 27 H LYS 27 -5.344 -11.144 -1.949 164 HA LYS 27 HA LYS 27 -7.069 -10.395 0.281 165 HB3 LYS 27 2HB LYS 27 -8.052 -11.217 -1.762 166 HG3 LYS 27 2HG LYS 27 -6.692 -13.867 -1.161 167 HD3 LYS 27 2HD LYS 27 -8.251 -13.347 -3.678 168 HE3 LYS 27 2HE LYS 27 -7.089 -15.591 -2.777 169 HZ1 LYS 27 3HZ LYS 27 -8.475 -16.929 -1.556 170 HZ2 LYS 27 1HZ LYS 27 -9.876 -16.163 -1.975 171 HZ3 LYS 27 2HZ LYS 27 -8.829 -15.518 -0.880 172 H ASN 28 H ASN 28 -4.715 -10.713 1.448 173 HA ASN 28 HA ASN 28 -4.650 -13.364 2.707 174 HB3 ASN 28 2HB ASN 28 -2.149 -12.993 2.669 175 HD21 ASN 28 1HD2 ASN 28 -3.524 -12.473 -0.704 176 HD22 ASN 28 2HD2 ASN 28 -3.230 -14.122 -1.150 177 H ILE 29 H ILE 29 -4.064 -9.795 3.100 178 HA ILE 29 HA ILE 29 -4.150 -10.113 5.964 179 HB ILE 29 HB ILE 29 -2.042 -9.108 6.402 180 HG13 ILE 29 2HG1 ILE 29 -0.379 -8.368 4.868 181 HG21 ILE 29 1HG2 ILE 29 -1.883 -11.441 6.178 182 HG22 ILE 29 2HG2 ILE 29 -1.503 -11.294 4.436 183 HG23 ILE 29 3HG2 ILE 29 -0.373 -10.670 5.671 184 HD11 ILE 29 3HD1 ILE 29 -2.283 -8.899 2.567 185 HD12 ILE 29 1HD1 ILE 29 -0.749 -8.049 2.523 186 HD13 ILE 29 2HD1 ILE 29 -0.752 -9.771 2.879 187 HA PRO 30 HA PRO 30 -5.849 -5.975 5.297 188 HB3 PRO 30 2HB PRO 30 -6.489 -5.957 7.522 189 HG3 PRO 30 2HG PRO 30 -5.134 -6.887 9.194 190 HD3 PRO 30 2HD PRO 30 -5.107 -8.660 7.634 191 H LEU 31 H LEU 31 -5.239 -3.662 5.058 192 HA LEU 31 HA LEU 31 -2.859 -3.064 3.788 193 HB3 LEU 31 2HB LEU 31 -4.770 -1.264 5.298 194 HG LEU 31 HG LEU 31 -4.039 0.501 3.726 195 HD11 LEU 31 1HD1 LEU 31 -3.422 0.598 6.159 196 HD12 LEU 31 2HD1 LEU 31 -2.379 1.490 5.066 197 HD13 LEU 31 3HD1 LEU 31 -1.818 -0.042 5.727 198 HD21 LEU 31 3HD2 LEU 31 -1.872 0.525 2.741 199 HD22 LEU 31 1HD2 LEU 31 -2.685 -0.973 2.240 200 HD23 LEU 31 2HD2 LEU 31 -1.416 -1.012 3.476 201 HA PRO 32 HA PRO 32 -0.688 -1.587 7.839 202 HB3 PRO 32 2HB PRO 32 -1.983 -0.894 9.539 203 HG3 PRO 32 2HG PRO 32 -4.236 -1.640 9.698 204 HD3 PRO 32 2HD PRO 32 -3.966 -1.087 7.420 205 H ALA 33 H ALA 33 -1.468 -4.647 6.799 206 HA ALA 33 HA ALA 33 0.920 -5.800 8.154 207 HB1 ALA 33 1HB ALA 33 -1.536 -7.149 7.071 208 HB2 ALA 33 2HB ALA 33 -0.050 -8.000 7.582 209 HB3 ALA 33 3HB ALA 33 -1.018 -7.089 8.763 210 H PHE 34 H PHE 34 -0.774 -5.082 5.093 211 HA PHE 34 HA PHE 34 1.128 -6.423 3.466 212 HB3 PHE 34 2HB PHE 34 -0.709 -4.170 2.631 213 HD1 PHE 34 1HD PHE 34 0.997 -7.427 1.538 214 HD2 PHE 34 2HD PHE 34 -0.558 -3.567 0.333 215 HE1 PHE 34 1HE PHE 34 1.996 -7.699 -0.668 216 HE2 PHE 34 2HE PHE 34 0.407 -3.897 -1.906 217 HZ PHE 34 HZ PHE 34 1.740 -5.927 -2.403 218 H GLY 35 H GLY 35 2.228 -4.341 5.394 219 HA2 GLY 35 1HA GLY 35 4.422 -4.339 3.668 220 HA3 GLY 35 2HA GLY 35 4.045 -2.647 3.965 221 H GLN 36 H GLN 36 3.108 -3.209 6.769 222 HA GLN 36 HA GLN 36 5.477 -2.922 8.183 223 HB3 GLN 36 2HB GLN 36 3.988 -3.822 10.152 224 HG3 GLN 36 2HG GLN 36 3.955 -1.488 10.019 225 HE21 GLN 36 1HE2 GLN 36 4.113 0.211 8.716 226 HE22 GLN 36 2HE2 GLN 36 2.933 0.691 7.465 227 H ARG 37 H ARG 37 4.075 -6.006 7.078 228 HA ARG 37 HA ARG 37 6.540 -7.322 8.131 229 HB3 ARG 37 2HB ARG 37 5.183 -9.294 8.751 230 HG3 ARG 37 2HG ARG 37 4.254 -6.861 10.295 231 HD3 ARG 37 2HD ARG 37 4.377 -9.778 10.758 232 HE ARG 37 HE ARG 37 6.274 -8.419 12.179 233 HH11 ARG 37 1HH1 ARG 37 3.162 -9.769 13.274 234 HH12 ARG 37 2HH1 ARG 37 3.790 -10.260 14.805 235 HH21 ARG 37 1HH2 ARG 37 7.108 -9.161 14.123 236 HH22 ARG 37 2HH2 ARG 37 6.119 -9.845 15.345 237 H ILE 38 H ILE 38 5.636 -6.295 5.473 238 HA ILE 38 HA ILE 38 5.962 -8.794 3.889 239 HB ILE 38 HB ILE 38 3.696 -6.795 3.560 240 HG13 ILE 38 2HG1 ILE 38 2.149 -8.604 3.919 241 HG21 ILE 38 1HG2 ILE 38 4.242 -7.238 1.330 242 HG22 ILE 38 2HG2 ILE 38 4.675 -8.913 1.664 243 HG23 ILE 38 3HG2 ILE 38 2.973 -8.426 1.667 244 HD11 ILE 38 3HD1 ILE 38 4.477 -10.484 4.283 245 HD12 ILE 38 1HD1 ILE 38 2.815 -10.773 4.818 246 HD13 ILE 38 2HD1 ILE 38 3.127 -10.536 3.093 247 H ILE 39 H ILE 39 6.381 -5.253 4.137 248 HA ILE 39 HA ILE 39 7.880 -5.286 1.555 249 HB ILE 39 HB ILE 39 6.060 -3.167 2.745 250 HG13 ILE 39 2HG1 ILE 39 4.587 -3.489 0.857 251 HG21 ILE 39 1HG2 ILE 39 6.310 -1.916 0.599 252 HG22 ILE 39 2HG2 ILE 39 7.701 -1.879 1.669 253 HG23 ILE 39 3HG2 ILE 39 7.720 -2.937 0.251 254 HD11 ILE 39 3HD1 ILE 39 4.794 -5.367 -0.713 255 HD12 ILE 39 1HD1 ILE 39 6.122 -4.221 -0.946 256 HD13 ILE 39 2HD1 ILE 39 6.402 -5.751 -0.078 257 H GLY 40 H GLY 40 8.382 -5.318 4.789 258 HA2 GLY 40 1HA GLY 40 10.210 -4.820 6.042 259 HA3 GLY 40 2HA GLY 40 10.984 -4.255 4.568 260 H TRP 41 H TRP 41 8.188 -2.435 4.847 261 HA TRP 41 HA TRP 41 9.898 -0.159 5.220 262 HB3 TRP 41 2HB TRP 41 8.203 -0.393 3.461 263 HD1 TRP 41 HD TRP 41 6.169 -0.844 6.591 264 HE1 TRP 41 1HE TRP 41 3.711 -0.723 6.068 265 HE3 TRP 41 3HE TRP 41 6.528 0.751 1.753 266 HZ2 TRP 41 2HZ TRP 41 2.037 -0.172 3.700 267 HZ3 TRP 41 3HZ TRP 41 4.488 0.942 0.358 268 HH2 TRP 41 HH TRP 41 2.286 0.536 1.311 269 H GLY 42 H GLY 42 8.937 -1.890 7.587 270 HA2 GLY 42 1HA GLY 42 8.276 -1.670 9.770 271 HA3 GLY 42 2HA GLY 42 9.119 -0.108 9.713 272 H THR 43 H THR 43 7.938 1.663 10.086 273 HA THR 43 HA THR 43 5.186 1.743 9.117 274 HB THR 43 HB THR 43 5.763 2.452 12.009 275 HG1 THR 43 1HG THR 43 4.759 0.446 12.531 276 HG21 THR 43 3HG2 THR 43 3.309 2.195 12.223 277 HG22 THR 43 1HG2 THR 43 3.210 1.722 10.509 278 HG23 THR 43 2HG2 THR 43 3.686 3.382 10.963 279 H GLY 44 H GLY 44 4.448 3.856 8.764 280 HA2 GLY 44 1HA GLY 44 4.555 6.093 8.447 281 HA3 GLY 44 2HA GLY 44 5.880 6.144 9.614 282 H ALA 45 H ALA 45 6.966 7.691 8.411 283 HA ALA 45 HA ALA 45 7.711 7.310 5.598 284 HB1 ALA 45 1HB ALA 45 9.054 9.364 5.973 285 HB2 ALA 45 2HB ALA 45 7.403 9.591 6.560 286 HB3 ALA 45 3HB ALA 45 8.715 9.288 7.709 287 H GLU 46 H GLU 46 9.536 7.211 8.810 288 HA GLU 46 HA GLU 46 11.940 6.939 7.789 289 HB3 GLU 46 2HB GLU 46 10.882 5.750 10.366 290 HG3 GLU 46 2HG GLU 46 13.225 7.515 10.320 291 H GLY 47 H GLY 47 9.700 4.187 8.800 292 HA2 GLY 47 1HA GLY 47 11.715 2.258 8.487 293 HA3 GLY 47 2HA GLY 47 9.998 1.921 8.403 294 H ALA 48 H ALA 48 9.547 3.681 6.047 295 HA ALA 48 HA ALA 48 10.344 1.933 3.888 296 HB1 ALA 48 1HB ALA 48 9.353 3.645 2.423 297 HB2 ALA 48 2HB ALA 48 8.271 3.281 3.781 298 HB3 ALA 48 3HB ALA 48 9.223 4.771 3.796 299 H ARG 49 H ARG 49 11.568 5.073 5.110 300 HA ARG 49 HA ARG 49 13.610 5.512 3.108 301 HB3 ARG 49 2HB ARG 49 13.132 6.412 5.999 302 HG3 ARG 49 2HG ARG 49 14.595 8.449 5.221 303 HD3 ARG 49 2HD ARG 49 15.826 5.921 6.299 304 HE ARG 49 HE ARG 49 17.444 7.754 6.026 305 HH11 ARG 49 1HH1 ARG 49 15.297 8.107 8.913 306 HH12 ARG 49 2HH1 ARG 49 16.634 8.630 9.892 307 HH21 ARG 49 1HH2 ARG 49 18.964 8.704 7.266 308 HH22 ARG 49 2HH2 ARG 49 18.726 9.083 8.927 309 H GLN 50 H GLN 50 13.461 3.544 6.088 310 HA GLN 50 HA GLN 50 16.292 3.140 6.236 311 HB3 GLN 50 2HB GLN 50 15.573 1.181 7.746 312 HG3 GLN 50 2HG GLN 50 14.390 2.588 9.494 313 HE21 GLN 50 1HE2 GLN 50 16.331 5.040 7.988 314 HE22 GLN 50 2HE2 GLN 50 17.781 4.701 8.919 315 H ARG 51 H ARG 51 13.633 1.307 4.657 316 HA ARG 51 HA ARG 51 15.597 -0.760 3.918 317 HB3 ARG 51 2HB ARG 51 13.330 -1.582 2.701 318 HG3 ARG 51 2HG ARG 51 14.512 -2.869 4.402 319 HD3 ARG 51 2HD ARG 51 13.376 -0.760 6.271 320 HE ARG 51 HE ARG 51 12.630 -2.467 7.496 321 HH11 ARG 51 1HH1 ARG 51 15.877 -3.455 6.344 322 HH12 ARG 51 2HH1 ARG 51 15.663 -5.077 6.884 323 HH21 ARG 51 1HH2 ARG 51 12.576 -4.473 8.554 324 HH22 ARG 51 2HH2 ARG 51 13.864 -5.601 8.289 325 H LEU 52 H LEU 52 13.781 1.776 2.266 326 HA LEU 52 HA LEU 52 13.915 1.106 -0.367 327 HB3 LEU 52 2HB LEU 52 14.309 3.719 1.110 328 HG LEU 52 HG LEU 52 15.443 4.205 -0.939 329 HD11 LEU 52 1HD1 LEU 52 14.651 2.480 -2.508 330 HD12 LEU 52 2HD1 LEU 52 14.327 4.067 -3.167 331 HD13 LEU 52 3HD1 LEU 52 13.025 3.125 -2.410 332 HD21 LEU 52 3HD2 LEU 52 14.116 5.904 0.011 333 HD22 LEU 52 1HD2 LEU 52 12.649 5.339 -0.831 334 HD23 LEU 52 2HD2 LEU 52 14.026 6.032 -1.736 335 H GLU 53 H GLU 53 16.538 2.875 1.294 336 HA GLU 53 HA GLU 53 17.965 3.078 -1.160 337 HB3 GLU 53 2HB GLU 53 19.519 4.441 0.098 338 HG3 GLU 53 2HG GLU 53 16.875 4.756 1.595 339 H ASN 54 H ASN 54 17.750 0.406 0.690 340 HA ASN 54 HA ASN 54 20.349 -0.696 0.003 341 HB3 ASN 54 2HB ASN 54 20.996 0.474 2.000 342 HD21 ASN 54 1HD2 ASN 54 19.318 1.992 2.675 343 HD22 ASN 54 2HD2 ASN 54 18.138 1.510 3.912 344 H ILE 55 H ILE 55 17.747 -1.372 -0.821 345 HA ILE 55 HA ILE 55 16.602 -3.460 0.823 346 HB ILE 55 HB ILE 55 15.512 -2.055 -1.002 347 HG13 ILE 55 2HG1 ILE 55 14.703 -4.355 0.127 348 HG21 ILE 55 1HG2 ILE 55 15.548 -2.944 -3.296 349 HG22 ILE 55 2HG2 ILE 55 17.171 -2.424 -2.774 350 HG23 ILE 55 3HG2 ILE 55 16.758 -4.134 -2.853 351 HD11 ILE 55 3HD1 ILE 55 12.593 -4.040 -1.026 352 HD12 ILE 55 1HD1 ILE 55 13.368 -2.473 -0.645 353 HD13 ILE 55 2HD1 ILE 55 13.399 -3.096 -2.309 354 H GLN 56 H GLN 56 16.620 -5.844 0.096 355 HA GLN 56 HA GLN 56 19.099 -6.556 -1.316 356 HB3 GLN 56 2HB GLN 56 19.574 -8.246 0.218 357 HG3 GLN 56 2HG GLN 56 19.494 -7.463 2.477 358 HE21 GLN 56 1HE2 GLN 56 20.074 -4.892 3.165 359 HE22 GLN 56 2HE2 GLN 56 21.414 -4.246 2.247 360 HA PRO 57 HA PRO 57 16.418 -8.852 -3.924 361 HB3 PRO 57 2HB PRO 57 18.144 -9.788 -5.059 362 HG3 PRO 57 2HG PRO 57 20.222 -10.141 -3.998 363 HD3 PRO 57 2HD PRO 57 19.608 -7.982 -3.184 364 H ALA 58 H ALA 58 17.402 -10.527 -0.920 365 HA ALA 58 HA ALA 58 15.347 -12.560 -1.127 366 HB1 ALA 58 1HB ALA 58 16.845 -11.480 1.287 367 HB2 ALA 58 2HB ALA 58 15.761 -12.895 1.297 368 HB3 ALA 58 3HB ALA 58 17.239 -12.926 0.313 369 H ASP 59 H ASP 59 15.228 -9.161 -0.284 370 HA ASP 59 HA ASP 59 12.887 -9.432 1.432 371 HB3 ASP 59 2HB ASP 59 13.671 -6.717 0.601 372 H VAL 60 H VAL 60 13.448 -9.197 -1.938 373 HA VAL 60 HA VAL 60 10.627 -8.374 -2.372 374 HB VAL 60 HB VAL 60 12.020 -7.213 -3.836 375 HG11 VAL 60 1HG1 VAL 60 13.347 -9.839 -4.576 376 HG12 VAL 60 2HG1 VAL 60 13.507 -8.361 -5.491 377 HG13 VAL 60 3HG1 VAL 60 14.094 -8.385 -3.821 378 HG21 VAL 60 3HG2 VAL 60 11.152 -7.773 -5.962 379 HG22 VAL 60 1HG2 VAL 60 11.043 -9.489 -5.563 380 HG23 VAL 60 2HG2 VAL 60 9.928 -8.343 -4.800 381 H SER 61 H SER 61 12.929 -11.119 -2.839 382 HA SER 61 HA SER 61 11.017 -13.023 -3.623 383 HB3 SER 61 2HB SER 61 12.754 -14.618 -3.109 384 HG SER 61 HG SER 61 14.240 -13.814 -4.441 385 H MET 62 H MET 62 10.223 -11.542 -1.093 386 HA MET 62 HA MET 62 9.338 -13.863 0.532 387 HB3 MET 62 2HB MET 62 10.596 -12.472 1.945 388 HG3 MET 62 2HG MET 62 8.760 -10.163 1.239 389 HE1 MET 62 3HE MET 62 8.871 -9.906 5.081 390 HE2 MET 62 1HE MET 62 7.893 -9.952 3.603 391 HE3 MET 62 2HE MET 62 8.744 -11.407 4.141 392 H ILE 63 H ILE 63 8.587 -10.798 -1.159 393 HA ILE 63 HA ILE 63 5.960 -10.562 -0.519 394 HB ILE 63 HB ILE 63 7.337 -9.636 -3.052 395 HG13 ILE 63 2HG1 ILE 63 8.570 -9.000 -0.917 396 HG21 ILE 63 1HG2 ILE 63 4.956 -8.447 -1.540 397 HG22 ILE 63 2HG2 ILE 63 5.678 -7.837 -3.055 398 HG23 ILE 63 3HG2 ILE 63 4.850 -9.379 -3.052 399 HD11 ILE 63 3HD1 ILE 63 8.612 -7.497 -2.881 400 HD12 ILE 63 1HD1 ILE 63 7.271 -6.574 -2.168 401 HD13 ILE 63 2HD1 ILE 63 8.823 -6.688 -1.318 402 H LYS 64 H LYS 64 7.418 -12.530 -2.895 403 HA LYS 64 HA LYS 64 4.960 -12.979 -4.495 404 HB3 LYS 64 2HB LYS 64 6.192 -14.679 -5.695 405 HG3 LYS 64 2HG LYS 64 6.812 -11.946 -5.691 406 HD3 LYS 64 2HD LYS 64 9.396 -13.568 -5.707 407 HE3 LYS 64 2HE LYS 64 10.429 -11.324 -6.028 408 HZ1 LYS 64 3HZ LYS 64 8.825 -11.759 -8.418 409 HZ2 LYS 64 1HZ LYS 64 9.896 -12.920 -7.925 410 HZ3 LYS 64 2HZ LYS 64 10.430 -11.443 -8.278 411 H LYS 65 H LYS 65 6.438 -14.458 -1.693 412 HA LYS 65 HA LYS 65 4.839 -16.889 -1.787 413 HB3 LYS 65 2HB LYS 65 5.814 -17.145 0.560 414 HG3 LYS 65 2HG LYS 65 7.116 -17.458 -1.919 415 HD3 LYS 65 2HD LYS 65 8.483 -15.408 -1.136 416 HE3 LYS 65 2HE LYS 65 8.699 -16.293 1.270 417 HZ1 LYS 65 3HZ LYS 65 9.446 -18.526 0.946 418 HZ2 LYS 65 1HZ LYS 65 10.739 -17.673 1.513 419 HZ3 LYS 65 2HZ LYS 65 10.680 -18.056 -0.062 420 H GLN 66 H GLN 66 4.177 -13.578 -0.952 421 HA GLN 66 HA GLN 66 2.423 -14.328 1.120 422 HB3 GLN 66 2HB GLN 66 3.106 -12.912 2.312 423 HG3 GLN 66 2HG GLN 66 4.087 -10.800 0.595 424 HE21 GLN 66 1HE2 GLN 66 4.930 -13.340 2.978 425 HE22 GLN 66 2HE2 GLN 66 6.632 -13.118 2.609 426 H GLY 67 H GLY 67 1.775 -14.946 -1.558 427 HA2 GLY 67 1HA GLY 67 -0.090 -14.949 -2.964 428 HA3 GLY 67 2HA GLY 67 -0.926 -14.142 -1.631 429 H THR 68 H THR 68 1.926 -12.703 -3.078 430 HA THR 68 HA THR 68 0.222 -10.543 -4.246 431 HB THR 68 HB THR 68 2.964 -10.445 -2.995 432 HG1 THR 68 1HG THR 68 1.216 -10.922 -1.536 433 HG21 THR 68 3HG2 THR 68 2.717 -8.557 -4.500 434 HG22 THR 68 1HG2 THR 68 2.684 -8.042 -2.830 435 HG23 THR 68 2HG2 THR 68 1.156 -8.156 -3.720 436 H THR 69 H THR 69 1.123 -9.354 -6.104 437 HA THR 69 HA THR 69 3.001 -10.802 -7.842 438 HB THR 69 HB THR 69 1.433 -9.958 -9.678 439 HG1 THR 69 1HG THR 69 -0.696 -9.615 -9.066 440 HG21 THR 69 3HG2 THR 69 -0.123 -11.890 -9.498 441 HG22 THR 69 1HG2 THR 69 0.440 -12.184 -7.842 442 HG23 THR 69 2HG2 THR 69 1.557 -12.339 -9.231 443 H LEU 70 H LEU 70 3.727 -9.245 -9.605 444 HA LEU 70 HA LEU 70 4.793 -6.870 -8.491 445 HB3 LEU 70 2HB LEU 70 4.454 -7.711 -11.404 446 HG LEU 70 HG LEU 70 5.170 -5.327 -11.297 447 HD11 LEU 70 1HD1 LEU 70 7.368 -4.784 -10.283 448 HD12 LEU 70 2HD1 LEU 70 7.426 -6.398 -9.540 449 HD13 LEU 70 3HD1 LEU 70 6.179 -5.227 -9.062 450 HD21 LEU 70 3HD2 LEU 70 6.091 -6.770 -13.034 451 HD22 LEU 70 1HD2 LEU 70 7.399 -7.308 -11.956 452 HD23 LEU 70 2HD2 LEU 70 7.323 -5.624 -12.507 453 H GLU 71 H GLU 71 1.835 -7.481 -10.275 454 HA GLU 71 HA GLU 71 0.920 -4.904 -10.930 455 HB3 GLU 71 2HB GLU 71 -1.376 -6.131 -10.388 456 HG3 GLU 71 2HG GLU 71 -0.667 -7.862 -12.352 457 H MET 72 H MET 72 1.105 -6.464 -7.748 458 HA MET 72 HA MET 72 -0.695 -4.572 -6.475 459 HB3 MET 72 2HB MET 72 1.308 -5.741 -4.698 460 HG3 MET 72 2HG MET 72 -1.054 -5.054 -4.111 461 HE1 MET 72 3HE MET 72 -0.909 -8.569 -6.175 462 HE2 MET 72 1HE MET 72 -1.045 -8.947 -4.438 463 HE3 MET 72 2HE MET 72 -2.398 -9.291 -5.537 464 H ILE 73 H ILE 73 2.751 -4.828 -7.143 465 HA ILE 73 HA ILE 73 3.586 -2.767 -5.274 466 HB ILE 73 HB ILE 73 5.007 -4.258 -7.513 467 HG13 ILE 73 2HG1 ILE 73 5.959 -5.688 -5.643 468 HG21 ILE 73 1HG2 ILE 73 7.120 -3.763 -6.630 469 HG22 ILE 73 2HG2 ILE 73 6.280 -2.228 -6.820 470 HG23 ILE 73 3HG2 ILE 73 6.452 -2.961 -5.210 471 HD11 ILE 73 3HD1 ILE 73 4.496 -6.035 -3.669 472 HD12 ILE 73 1HD1 ILE 73 5.266 -4.433 -3.625 473 HD13 ILE 73 2HD1 ILE 73 3.551 -4.615 -4.081 474 H THR 74 H THR 74 3.014 -2.995 -8.824 475 HA THR 74 HA THR 74 3.919 -0.354 -9.469 476 HB THR 74 HB THR 74 2.350 -0.759 -11.451 477 HG1 THR 74 1HG THR 74 1.386 -2.676 -11.612 478 HG21 THR 74 3HG2 THR 74 4.483 -2.843 -10.772 479 HG22 THR 74 1HG2 THR 74 4.709 -1.313 -11.657 480 HG23 THR 74 2HG2 THR 74 3.762 -2.623 -12.367 481 H ALA 75 H ALA 75 0.668 -1.631 -8.485 482 HA ALA 75 HA ALA 75 -0.559 0.934 -8.803 483 HB1 ALA 75 1HB ALA 75 -1.835 -1.150 -8.743 484 HB2 ALA 75 2HB ALA 75 -1.421 -1.374 -7.018 485 HB3 ALA 75 3HB ALA 75 -2.422 0.012 -7.538 486 H TRP 76 H TRP 76 0.774 -0.670 -5.883 487 HA TRP 76 HA TRP 76 0.151 1.592 -4.169 488 HB3 TRP 76 2HB TRP 76 1.838 0.354 -2.619 489 HD1 TRP 76 HD TRP 76 -0.399 -2.423 -3.794 490 HE1 TRP 76 1HE TRP 76 -2.584 -2.420 -2.513 491 HE3 TRP 76 3HE TRP 76 0.006 2.084 -1.480 492 HZ2 TRP 76 2HZ TRP 76 -3.726 -0.939 -0.172 493 HZ3 TRP 76 3HZ TRP 76 -1.699 2.821 0.179 494 HH2 TRP 76 HH TRP 76 -3.545 1.250 0.846 495 H GLN 77 H GLN 77 2.681 1.113 -6.464 496 HA GLN 77 HA GLN 77 4.466 3.081 -5.229 497 HB3 GLN 77 2HB GLN 77 4.297 1.875 -8.034 498 HG3 GLN 77 2HG GLN 77 6.359 3.692 -6.755 499 HE21 GLN 77 1HE2 GLN 77 7.618 4.161 -9.261 500 HE22 GLN 77 2HE2 GLN 77 8.601 2.686 -9.540 501 H ASP 78 H ASP 78 2.352 2.919 -8.121 502 HA ASP 78 HA ASP 78 2.803 5.621 -8.774 503 HB3 ASP 78 2HB ASP 78 0.305 4.355 -9.822 504 H PHE 79 H PHE 79 0.296 4.112 -6.814 505 HA PHE 79 HA PHE 79 -1.574 6.136 -6.462 506 HB3 PHE 79 2HB PHE 79 -0.389 4.231 -4.428 507 HD1 PHE 79 2HD PHE 79 -3.939 5.227 -5.055 508 HD2 PHE 79 1HD PHE 79 -0.582 5.489 -2.368 509 HE1 PHE 79 2HE PHE 79 -5.423 6.138 -3.292 510 HE2 PHE 79 1HE PHE 79 -2.073 6.413 -0.602 511 HZ PHE 79 HZ PHE 79 -4.482 6.722 -1.046 512 H TYR 80 H TYR 80 1.665 5.852 -4.942 513 HA TYR 80 HA TYR 80 1.220 8.386 -3.475 514 HB3 TYR 80 2HB TYR 80 3.521 7.820 -2.548 515 HD1 TYR 80 2HD TYR 80 1.189 8.345 -1.166 516 HD2 TYR 80 1HD TYR 80 2.750 4.517 -2.279 517 HE1 TYR 80 2HE TYR 80 -0.009 7.361 0.733 518 HE2 TYR 80 1HE TYR 80 1.541 3.445 -0.359 519 HH TYR 80 HH TYR 80 0.031 5.481 2.139 520 H GLU 81 H GLU 81 3.302 7.090 -6.080 521 HA GLU 81 HA GLU 81 5.005 9.304 -6.332 522 HB3 GLU 81 2HB GLU 81 5.206 8.565 -8.772 523 HG3 GLU 81 2HG GLU 81 5.246 5.992 -7.247 524 H GLN 82 H GLN 82 1.631 9.203 -7.368 525 HA GLN 82 HA GLN 82 1.820 11.761 -8.730 526 HB3 GLN 82 2HB GLN 82 -0.621 11.703 -8.672 527 HG3 GLN 82 2HG GLN 82 -0.921 10.167 -10.269 528 HE21 GLN 82 1HE2 GLN 82 1.593 7.976 -10.065 529 HE22 GLN 82 2HE2 GLN 82 2.757 8.791 -11.088 530 H GLU 83 H GLU 83 1.497 10.855 -5.329 531 HA GLU 83 HA GLU 83 0.098 13.215 -4.485 532 HB3 GLU 83 2HB GLU 83 0.726 12.532 -2.205 533 HG3 GLU 83 2HG GLU 83 -0.232 10.246 -2.162 534 H GLN 84 H GLN 84 3.457 12.232 -4.873 535 HA GLN 84 HA GLN 84 4.680 14.321 -3.452 536 HB3 GLN 84 2HB GLN 84 6.490 13.910 -5.450 537 HG3 GLN 84 2HG GLN 84 6.756 13.343 -3.037 538 HE21 GLN 84 1HE2 GLN 84 6.117 10.165 -4.663 539 HE22 GLN 84 2HE2 GLN 84 4.710 9.875 -3.647 540 H GLN 85 H GLN 85 3.123 14.387 -6.591 541 HA GLN 85 HA GLN 85 4.431 16.823 -7.500 542 HB3 GLN 85 2HB GLN 85 2.984 16.660 -9.399 543 HG3 GLN 85 2HG GLN 85 3.586 13.785 -8.552 544 HE21 GLN 85 1HE2 GLN 85 1.464 13.862 -10.219 545 HE22 GLN 85 2HE2 GLN 85 1.982 13.687 -11.894 546 H ARG 86 H ARG 86 1.148 15.974 -6.292 547 HA ARG 86 HA ARG 86 0.288 18.723 -6.136 548 HB3 ARG 86 2HB ARG 86 -1.410 17.049 -6.264 549 HG3 ARG 86 2HG ARG 86 -0.467 15.992 -3.564 550 HD3 ARG 86 2HD ARG 86 -2.111 14.159 -4.061 551 HE ARG 86 HE ARG 86 -3.652 16.666 -3.931 552 HH11 ARG 86 1HH1 ARG 86 -2.389 13.829 -2.089 553 HH12 ARG 86 2HH1 ARG 86 -2.734 14.542 -0.565 554 HH21 ARG 86 1HH2 ARG 86 -4.409 17.379 -1.867 555 HH22 ARG 86 2HH2 ARG 86 -3.912 16.554 -0.416 556 H ASN 87 H ASN 87 2.101 16.650 -3.815 557 HA ASN 87 HA ASN 87 2.702 19.059 -2.372 558 HB3 ASN 87 2HB ASN 87 0.928 18.714 -1.011 559 HD21 ASN 87 1HD2 ASN 87 2.211 15.351 -1.235 560 HD22 ASN 87 2HD2 ASN 87 0.616 14.607 -1.119 561 H GLU 88 H GLU 88 4.871 18.882 -2.747 562 HA GLU 88 HA GLU 88 6.510 16.604 -2.529 563 HB3 GLU 88 2HB GLU 88 8.327 18.294 -2.105 564 HG3 GLU 88 2HG GLU 88 7.956 19.918 -3.935 565 H ASN 89 H ASN 89 4.920 18.445 -0.116 566 HA ASN 89 HA ASN 89 6.793 18.119 1.994 567 HB3 ASN 89 2HB ASN 89 4.596 18.893 3.338 568 HD21 ASN 89 1HD2 ASN 89 5.347 21.157 0.670 569 HD22 ASN 89 2HD2 ASN 89 6.540 22.016 1.618 570 H ASN 90 H ASN 90 5.103 15.600 0.746 571 HA ASN 90 HA ASN 90 4.571 14.327 3.397 572 HB3 ASN 90 2HB ASN 90 3.295 12.666 1.811 573 HD21 ASN 90 1HD2 ASN 90 2.229 12.948 3.876 574 HD22 ASN 90 2HD2 ASN 90 1.002 14.158 4.031 575 HA PRO 91 HA PRO 91 8.288 12.067 1.998 576 HB3 PRO 91 2HB PRO 91 9.581 13.080 3.627 577 HG3 PRO 91 2HG PRO 91 8.577 13.854 5.649 578 HD3 PRO 91 2HD PRO 91 7.328 14.807 3.975 579 H THR 92 H THR 92 5.697 11.218 4.392 580 HA THR 92 HA THR 92 6.331 8.500 4.644 581 HB THR 92 HB THR 92 3.584 9.816 4.671 582 HG1 THR 92 1HG THR 92 3.977 10.057 6.834 583 HG21 THR 92 3HG2 THR 92 3.049 7.906 6.226 584 HG22 THR 92 1HG2 THR 92 4.649 7.205 5.854 585 HG23 THR 92 2HG2 THR 92 3.424 7.359 4.586 586 H ALA 93 H ALA 93 4.315 10.165 2.225 587 HA ALA 93 HA ALA 93 3.630 7.871 0.639 588 HB1 ALA 93 1HB ALA 93 2.355 9.964 0.543 589 HB2 ALA 93 2HB ALA 93 3.792 10.874 0.062 590 HB3 ALA 93 3HB ALA 93 3.111 9.681 -1.048 591 H LYS 94 H LYS 94 6.076 10.460 0.260 592 HA LYS 94 HA LYS 94 7.238 9.679 -2.041 593 HB3 LYS 94 2HB LYS 94 8.814 10.845 0.282 594 HG3 LYS 94 2HG LYS 94 8.939 11.067 -2.728 595 HD3 LYS 94 2HD LYS 94 8.750 13.337 -1.968 596 HE3 LYS 94 2HE LYS 94 11.055 12.608 -0.097 597 HZ1 LYS 94 3HZ LYS 94 10.158 15.204 -1.115 598 HZ2 LYS 94 1HZ LYS 94 11.676 14.708 -0.811 599 HZ3 LYS 94 2HZ LYS 94 10.644 15.091 0.440 600 H TYR 95 H TYR 95 8.611 8.672 1.130 601 HA TYR 95 HA TYR 95 10.653 7.087 -0.048 602 HB3 TYR 95 2HB TYR 95 10.678 5.932 2.225 603 HD1 TYR 95 2HD TYR 95 12.841 7.103 1.337 604 HD2 TYR 95 1HD TYR 95 9.878 8.957 3.839 605 HE1 TYR 95 2HE TYR 95 14.519 8.748 2.079 606 HE2 TYR 95 1HE TYR 95 11.535 10.639 4.569 607 HH TYR 95 HH TYR 95 14.850 10.830 3.261 608 H ARG 96 H ARG 96 7.302 6.058 1.016 609 HA ARG 96 HA ARG 96 7.943 3.323 0.473 610 HB3 ARG 96 2HB ARG 96 6.307 3.845 2.075 611 HG3 ARG 96 2HG ARG 96 4.452 4.612 -0.225 612 HD3 ARG 96 2HD ARG 96 3.297 3.505 1.614 613 HE ARG 96 HE ARG 96 4.843 5.380 3.306 614 HH11 ARG 96 1HH1 ARG 96 2.138 2.998 3.231 615 HH12 ARG 96 2HH1 ARG 96 2.255 2.637 4.906 616 HH21 ARG 96 1HH2 ARG 96 5.005 4.724 5.597 617 HH22 ARG 96 2HH2 ARG 96 3.550 4.058 6.275 618 H ALA 97 H ALA 97 6.526 5.886 -1.686 619 HA ALA 97 HA ALA 97 5.846 4.133 -3.774 620 HB1 ALA 97 1HB ALA 97 5.676 6.835 -3.298 621 HB2 ALA 97 2HB ALA 97 7.008 6.791 -4.457 622 HB3 ALA 97 3HB ALA 97 5.435 6.046 -4.850 623 H ARG 98 H ARG 98 8.889 5.940 -3.096 624 HA ARG 98 HA ARG 98 10.398 4.854 -5.201 625 HB3 ARG 98 2HB ARG 98 12.265 5.330 -3.191 626 HG3 ARG 98 2HG ARG 98 10.876 7.199 -5.115 627 HD3 ARG 98 2HD ARG 98 13.285 7.768 -3.321 628 HE ARG 98 HE ARG 98 12.075 9.498 -5.430 629 HH11 ARG 98 1HH1 ARG 98 15.036 7.955 -4.186 630 HH12 ARG 98 2HH1 ARG 98 16.011 8.537 -5.493 631 HH21 ARG 98 1HH2 ARG 98 13.399 10.348 -7.056 632 HH22 ARG 98 2HH2 ARG 98 15.039 9.906 -7.193 633 H LEU 99 H LEU 99 9.883 3.539 -1.935 634 HA LEU 99 HA LEU 99 11.705 1.371 -2.074 635 HB3 LEU 99 2HB LEU 99 9.106 1.801 -0.584 636 HG LEU 99 HG LEU 99 9.316 -0.555 -0.448 637 HD11 LEU 99 1HD1 LEU 99 11.626 -0.901 -1.250 638 HD12 LEU 99 2HD1 LEU 99 11.351 -1.703 0.291 639 HD13 LEU 99 3HD1 LEU 99 12.264 -0.183 0.251 640 HD21 LEU 99 3HD2 LEU 99 9.840 -0.800 1.948 641 HD22 LEU 99 1HD2 LEU 99 8.955 0.719 1.654 642 HD23 LEU 99 2HD2 LEU 99 10.712 0.739 1.945 643 H MET 100 H MET 100 8.207 1.439 -2.911 644 HA MET 100 HA MET 100 7.965 -1.150 -3.947 645 HB3 MET 100 2HB MET 100 6.247 -0.197 -5.493 646 HG3 MET 100 2HG MET 100 4.709 0.523 -3.711 647 HE1 MET 100 3HE MET 100 4.276 -2.480 -1.208 648 HE2 MET 100 1HE MET 100 5.046 -0.899 -0.900 649 HE3 MET 100 2HE MET 100 3.538 -0.992 -1.851 650 H LYS 101 H LYS 101 9.175 1.821 -5.637 651 HA LYS 101 HA LYS 101 9.550 0.681 -8.163 652 HB3 LYS 101 2HB LYS 101 11.466 2.759 -6.993 653 HG3 LYS 101 2HG LYS 101 10.499 1.946 -9.704 654 HD3 LYS 101 2HD LYS 101 10.064 4.595 -9.039 655 HE3 LYS 101 2HE LYS 101 12.671 4.406 -10.583 656 HZ1 LYS 101 3HZ LYS 101 11.182 6.849 -9.880 657 HZ2 LYS 101 1HZ LYS 101 10.830 6.049 -11.224 658 HZ3 LYS 101 2HZ LYS 101 12.367 6.658 -11.024 659 H LYS 102 H LYS 102 11.794 0.642 -5.445 660 HA LYS 102 HA LYS 102 13.861 -0.838 -6.864 661 HB3 LYS 102 2HB LYS 102 14.393 -1.455 -4.315 662 HG3 LYS 102 2HG LYS 102 14.764 1.431 -4.521 663 HD3 LYS 102 2HD LYS 102 16.377 -0.207 -3.403 664 HE3 LYS 102 2HE LYS 102 16.781 -0.902 -6.338 665 HZ1 LYS 102 3HZ LYS 102 18.497 -2.421 -5.380 666 HZ2 LYS 102 1HZ LYS 102 18.577 -1.443 -4.063 667 HZ3 LYS 102 2HZ LYS 102 18.922 -0.861 -5.568 668 H ILE 103 H ILE 103 11.062 -1.908 -4.926 669 HA ILE 103 HA ILE 103 11.784 -4.689 -4.952 670 HB ILE 103 HB ILE 103 9.166 -3.168 -4.699 671 HG13 ILE 103 2HG1 ILE 103 10.996 -3.146 -2.890 672 HG21 ILE 103 1HG2 ILE 103 9.522 -6.158 -4.449 673 HG22 ILE 103 2HG2 ILE 103 8.039 -5.239 -4.066 674 HG23 ILE 103 3HG2 ILE 103 8.608 -5.336 -5.726 675 HD11 ILE 103 3HD1 ILE 103 8.686 -2.592 -2.295 676 HD12 ILE 103 1HD1 ILE 103 8.338 -4.313 -2.017 677 HD13 ILE 103 2HD1 ILE 103 9.539 -3.479 -1.016 678 H ALA 104 H ALA 104 9.903 -2.660 -7.218 679 HA ALA 104 HA ALA 104 9.436 -4.726 -9.134 680 HB1 ALA 104 1HB ALA 104 8.057 -2.662 -8.722 681 HB2 ALA 104 2HB ALA 104 9.397 -1.677 -9.374 682 HB3 ALA 104 3HB ALA 104 8.538 -2.820 -10.420 683 H ASP 105 H ASP 105 12.382 -3.540 -8.438 684 HA ASP 105 HA ASP 105 13.384 -3.408 -11.265 685 HB3 ASP 105 2HB ASP 105 14.676 -2.626 -8.625 686 H LEU 106 H LEU 106 12.975 -5.406 -8.567 687 HA LEU 106 HA LEU 106 15.235 -7.210 -9.249 688 HB3 LEU 106 2HB LEU 106 15.193 -7.713 -6.781 689 HG LEU 106 HG LEU 106 15.567 -4.765 -7.470 690 HD11 LEU 106 1HD1 LEU 106 14.815 -4.953 -5.123 691 HD12 LEU 106 2HD1 LEU 106 16.491 -4.438 -5.261 692 HD13 LEU 106 3HD1 LEU 106 16.113 -6.128 -4.789 693 HD21 LEU 106 3HD2 LEU 106 17.534 -6.992 -6.721 694 HD22 LEU 106 1HD2 LEU 106 17.931 -5.296 -7.026 695 HD23 LEU 106 2HD2 LEU 106 17.293 -6.262 -8.349 696 H TRP 107 H TRP 107 12.192 -7.175 -10.020 697 HA TRP 107 HA TRP 107 11.062 -9.183 -8.389 698 HB3 TRP 107 2HB TRP 107 9.883 -8.020 -10.930 699 HD1 TRP 107 HD TRP 107 8.188 -10.037 -11.249 700 HE1 TRP 107 1HE TRP 107 6.193 -10.928 -9.915 701 HE3 TRP 107 3HE TRP 107 8.892 -7.392 -6.961 702 HZ2 TRP 107 2HZ TRP 107 5.062 -10.572 -7.308 703 HZ3 TRP 107 3HZ TRP 107 7.316 -7.684 -5.033 704 HH2 TRP 107 HH TRP 107 5.412 -9.297 -5.220 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -17.775 1.472 16.641 2 HA2 GLY 1 1HA GLY 1 -15.574 3.265 15.807 3 HA3 GLY 1 2HA GLY 1 -15.595 2.247 17.269 4 H THR 2 H THR 2 -14.781 0.090 17.081 5 HA THR 2 HA THR 2 -13.413 -0.666 14.729 6 HB THR 2 HB THR 2 -13.449 -2.904 16.192 7 HG1 THR 2 1HG THR 2 -13.853 -2.490 18.333 8 HG21 THR 2 3HG2 THR 2 -11.459 -1.516 15.887 9 HG22 THR 2 1HG2 THR 2 -11.611 -2.043 17.562 10 HG23 THR 2 2HG2 THR 2 -12.036 -0.370 17.118 11 H ASP 3 H ASP 3 -14.758 -0.863 12.902 12 HA ASP 3 HA ASP 3 -16.779 -3.050 13.008 13 HB3 ASP 3 2HB ASP 3 -17.383 -0.701 12.043 14 H PHE 4 H PHE 4 -16.773 -4.322 10.845 15 HA PHE 4 HA PHE 4 -14.535 -4.298 9.158 16 HB3 PHE 4 2HB PHE 4 -13.337 -5.629 10.780 17 HD1 PHE 4 1HD PHE 4 -15.726 -8.353 9.910 18 HD2 PHE 4 2HD PHE 4 -14.219 -5.810 13.050 19 HE1 PHE 4 1HE PHE 4 -16.840 -9.777 11.601 20 HE2 PHE 4 2HE PHE 4 -15.301 -7.276 14.747 21 HZ PHE 4 HZ PHE 4 -16.623 -9.251 14.019 22 H GLY 5 H GLY 5 -14.985 -5.772 7.327 23 HA2 GLY 5 1HA GLY 5 -16.415 -7.785 6.750 24 HA3 GLY 5 2HA GLY 5 -17.800 -6.801 7.239 25 H THR 6 H THR 6 -14.898 -6.611 5.084 26 HA THR 6 HA THR 6 -16.400 -4.948 3.202 27 HB THR 6 HB THR 6 -13.896 -4.268 2.725 28 HG1 THR 6 1HG THR 6 -12.551 -4.665 4.462 29 HG21 THR 6 3HG2 THR 6 -15.604 -2.789 3.769 30 HG22 THR 6 1HG2 THR 6 -14.008 -2.584 4.502 31 HG23 THR 6 2HG2 THR 6 -15.260 -3.511 5.355 32 H THR 7 H THR 7 -16.311 -7.967 3.241 33 HA THR 7 HA THR 7 -14.308 -8.774 1.457 34 HB THR 7 HB THR 7 -16.563 -10.533 2.416 35 HG1 THR 7 1HG THR 7 -15.730 -10.562 4.451 36 HG21 THR 7 3HG2 THR 7 -14.656 -11.592 1.287 37 HG22 THR 7 1HG2 THR 7 -14.700 -12.063 2.988 38 HG23 THR 7 2HG2 THR 7 -13.526 -10.842 2.435 39 H ASN 8 H ASN 8 -16.694 -7.132 0.142 40 HA ASN 8 HA ASN 8 -17.265 -9.153 -1.958 41 HB3 ASN 8 2HB ASN 8 -19.579 -7.552 -0.904 42 HD21 ASN 8 1HD2 ASN 8 -21.324 -8.139 -2.240 43 HD22 ASN 8 2HD2 ASN 8 -21.297 -9.566 -3.274 44 H ASN 9 H ASN 9 -15.828 -6.339 -1.911 45 HA ASN 9 HA ASN 9 -17.407 -5.162 -4.138 46 HB3 ASN 9 2HB ASN 9 -16.582 -2.989 -3.649 47 HD21 ASN 9 1HD2 ASN 9 -18.750 -2.302 -3.116 48 HD22 ASN 9 2HD2 ASN 9 -19.357 -2.480 -1.488 49 H PHE 10 H PHE 10 -16.409 -5.623 -5.868 50 HA PHE 10 HA PHE 10 -13.422 -5.734 -6.095 51 HB3 PHE 10 2HB PHE 10 -13.801 -7.572 -7.718 52 HD1 PHE 10 1HD PHE 10 -12.089 -8.347 -6.179 53 HD2 PHE 10 2HD PHE 10 -16.267 -8.497 -5.121 54 HE1 PHE 10 1HE PHE 10 -11.568 -9.948 -4.368 55 HE2 PHE 10 2HE PHE 10 -15.743 -10.121 -3.306 56 HZ PHE 10 HZ PHE 10 -13.395 -10.868 -2.946 57 H VAL 11 H VAL 11 -14.759 -3.327 -6.552 58 HA VAL 11 HA VAL 11 -14.604 -3.010 -9.477 59 HB VAL 11 HB VAL 11 -16.652 -1.656 -9.491 60 HG11 VAL 11 1HG1 VAL 11 -17.267 -4.454 -8.449 61 HG12 VAL 11 2HG1 VAL 11 -18.258 -3.468 -9.536 62 HG13 VAL 11 3HG1 VAL 11 -16.694 -4.110 -10.081 63 HG21 VAL 11 3HG2 VAL 11 -16.886 -0.994 -7.140 64 HG22 VAL 11 1HG2 VAL 11 -18.338 -1.789 -7.712 65 HG23 VAL 11 2HG2 VAL 11 -17.209 -2.680 -6.672 66 H SER 12 H SER 12 -13.572 -1.098 -10.060 67 HA SER 12 HA SER 12 -13.203 0.955 -7.942 68 HB3 SER 12 2HB SER 12 -11.128 -0.052 -7.967 69 HG SER 12 HG SER 12 -10.072 -0.216 -10.201 70 HA PRO 13 HA PRO 13 -15.105 2.889 -11.717 71 HB3 PRO 13 2HB PRO 13 -17.307 2.701 -11.033 72 HG3 PRO 13 2HG PRO 13 -17.838 2.285 -8.772 73 HD3 PRO 13 2HD PRO 13 -16.214 0.665 -9.279 74 H ASN 14 H ASN 14 -15.100 5.211 -12.041 75 HA ASN 14 HA ASN 14 -12.533 6.036 -11.337 76 HB3 ASN 14 2HB ASN 14 -14.487 7.864 -12.753 77 HD21 ASN 14 1HD2 ASN 14 -13.286 9.379 -14.074 78 HD22 ASN 14 2HD2 ASN 14 -11.570 9.211 -14.348 79 H LEU 15 H LEU 15 -14.455 6.309 -9.035 80 HA LEU 15 HA LEU 15 -14.882 9.173 -8.582 81 HB3 LEU 15 2HB LEU 15 -15.580 6.713 -6.926 82 HG LEU 15 HG LEU 15 -15.796 9.153 -5.881 83 HD11 LEU 15 1HD1 LEU 15 -16.911 10.184 -7.852 84 HD12 LEU 15 2HD1 LEU 15 -18.000 10.189 -6.454 85 HD13 LEU 15 3HD1 LEU 15 -18.219 9.003 -7.744 86 HD21 LEU 15 3HD2 LEU 15 -17.758 8.469 -4.655 87 HD22 LEU 15 1HD2 LEU 15 -16.783 7.025 -4.947 88 HD23 LEU 15 2HD2 LEU 15 -18.242 7.334 -5.914 89 H GLN 16 H GLN 16 -12.568 9.846 -8.281 90 HA GLN 16 HA GLN 16 -11.105 8.767 -6.031 91 HB3 GLN 16 2HB GLN 16 -10.543 11.381 -7.453 92 HG3 GLN 16 2HG GLN 16 -8.467 9.249 -6.842 93 HE21 GLN 16 1HE2 GLN 16 -6.326 10.053 -7.444 94 HE22 GLN 16 2HE2 GLN 16 -6.084 11.703 -7.893 95 H LEU 17 H LEU 17 -13.693 10.423 -5.839 96 HA LEU 17 HA LEU 17 -12.845 12.369 -3.742 97 HB3 LEU 17 2HB LEU 17 -13.360 13.725 -5.453 98 HG LEU 17 HG LEU 17 -15.395 14.143 -6.547 99 HD11 LEU 17 1HD1 LEU 17 -13.815 12.541 -7.642 100 HD12 LEU 17 2HD1 LEU 17 -15.497 12.458 -8.207 101 HD13 LEU 17 3HD1 LEU 17 -14.881 11.210 -7.120 102 HD21 LEU 17 3HD2 LEU 17 -17.368 12.744 -6.548 103 HD22 LEU 17 1HD2 LEU 17 -17.009 13.298 -4.905 104 HD23 LEU 17 2HD2 LEU 17 -16.614 11.632 -5.388 105 H LYS 18 H LYS 18 -13.101 10.257 -2.841 106 HA LYS 18 HA LYS 18 -15.753 9.696 -1.547 107 HB3 LYS 18 2HB LYS 18 -14.731 7.684 -0.616 108 HG3 LYS 18 2HG LYS 18 -13.803 7.831 -3.509 109 HD3 LYS 18 2HD LYS 18 -15.041 5.553 -1.925 110 HE3 LYS 18 2HE LYS 18 -15.204 5.529 -4.471 111 HZ1 LYS 18 3HZ LYS 18 -13.183 4.828 -5.572 112 HZ2 LYS 18 1HZ LYS 18 -12.287 5.060 -4.221 113 HZ3 LYS 18 2HZ LYS 18 -12.965 6.348 -4.993 114 H GLN 19 H GLN 19 -15.668 9.425 0.964 115 HA GLN 19 HA GLN 19 -14.284 11.643 2.156 116 HB3 GLN 19 2HB GLN 19 -15.253 10.113 4.230 117 HG3 GLN 19 2HG GLN 19 -16.391 12.237 2.500 118 HE21 GLN 19 1HE2 GLN 19 -17.623 10.520 5.473 119 HE22 GLN 19 2HE2 GLN 19 -19.292 10.651 5.009 120 H ASN 20 H ASN 20 -13.109 11.312 4.090 121 HA ASN 20 HA ASN 20 -10.587 10.018 3.745 122 HB3 ASN 20 2HB ASN 20 -11.749 11.287 6.257 123 HD21 ASN 20 1HD2 ASN 20 -9.928 9.156 6.675 124 HD22 ASN 20 2HD2 ASN 20 -8.265 9.736 6.776 125 H VAL 21 H VAL 21 -11.129 7.817 3.567 126 HA VAL 21 HA VAL 21 -11.048 6.527 6.225 127 HB VAL 21 HB VAL 21 -13.372 6.421 5.713 128 HG11 VAL 21 1HG1 VAL 21 -12.634 5.216 3.028 129 HG12 VAL 21 2HG1 VAL 21 -14.269 5.233 3.722 130 HG13 VAL 21 3HG1 VAL 21 -13.477 6.754 3.346 131 HG21 VAL 21 3HG2 VAL 21 -13.834 4.096 5.913 132 HG22 VAL 21 1HG2 VAL 21 -12.277 3.646 5.172 133 HG23 VAL 21 2HG2 VAL 21 -12.332 4.423 6.767 134 H LEU 22 H LEU 22 -10.113 4.347 6.144 135 HA LEU 22 HA LEU 22 -7.847 4.315 4.335 136 HB3 LEU 22 2HB LEU 22 -7.418 2.077 5.515 137 HG LEU 22 HG LEU 22 -7.814 4.421 7.417 138 HD11 LEU 22 1HD1 LEU 22 -6.076 3.268 8.769 139 HD12 LEU 22 2HD1 LEU 22 -6.081 1.918 7.617 140 HD13 LEU 22 3HD1 LEU 22 -7.527 2.275 8.572 141 HD21 LEU 22 3HD2 LEU 22 -5.257 4.626 7.026 142 HD22 LEU 22 1HD2 LEU 22 -6.351 5.255 5.764 143 HD23 LEU 22 2HD2 LEU 22 -5.534 3.703 5.546 144 HA PRO 23 HA PRO 23 -9.636 1.242 1.474 145 HB3 PRO 23 2HB PRO 23 -7.988 1.526 -0.059 146 HG3 PRO 23 2HG PRO 23 -5.915 2.445 0.589 147 HD3 PRO 23 2HD PRO 23 -7.298 3.844 1.867 148 HA PRO 24 HA PRO 24 -9.741 -2.427 3.930 149 HB3 PRO 24 2HB PRO 24 -11.202 -3.343 2.423 150 HG3 PRO 24 2HG PRO 24 -10.946 -3.024 0.091 151 HD3 PRO 24 2HD PRO 24 -10.768 -0.848 0.951 152 H THR 25 H THR 25 -8.633 -4.704 4.299 153 HA THR 25 HA THR 25 -5.803 -4.763 3.411 154 HB THR 25 HB THR 25 -5.432 -5.608 5.937 155 HG1 THR 25 1HG THR 25 -7.034 -3.395 6.519 156 HG21 THR 25 3HG2 THR 25 -4.489 -3.396 6.469 157 HG22 THR 25 1HG2 THR 25 -5.357 -2.717 5.073 158 HG23 THR 25 2HG2 THR 25 -4.087 -3.918 4.818 159 HA PRO 26 HA PRO 26 -6.603 -9.034 2.898 160 HB3 PRO 26 2HB PRO 26 -4.472 -9.639 2.282 161 HG3 PRO 26 2HG PRO 26 -2.747 -8.241 2.920 162 HD3 PRO 26 2HD PRO 26 -4.140 -6.403 2.807 163 H LYS 27 H LYS 27 -7.358 -10.814 4.027 164 HA LYS 27 HA LYS 27 -8.158 -10.362 6.781 165 HB3 LYS 27 2HB LYS 27 -9.821 -11.268 5.350 166 HG3 LYS 27 2HG LYS 27 -7.676 -13.249 4.563 167 HD3 LYS 27 2HD LYS 27 -10.015 -14.262 3.502 168 HE3 LYS 27 2HE LYS 27 -8.038 -15.549 4.272 169 HZ1 LYS 27 3HZ LYS 27 -7.937 -16.252 6.549 170 HZ2 LYS 27 1HZ LYS 27 -9.239 -15.350 6.974 171 HZ3 LYS 27 2HZ LYS 27 -7.845 -14.612 6.529 172 H ASN 28 H ASN 28 -5.449 -10.415 6.953 173 HA ASN 28 HA ASN 28 -4.783 -13.037 8.076 174 HB3 ASN 28 2HB ASN 28 -2.441 -12.584 7.042 175 HD21 ASN 28 1HD2 ASN 28 -4.938 -12.811 4.372 176 HD22 ASN 28 2HD2 ASN 28 -4.641 -14.525 4.315 177 H ILE 29 H ILE 29 -3.911 -9.466 7.752 178 HA ILE 29 HA ILE 29 -3.224 -9.481 10.586 179 HB ILE 29 HB ILE 29 -0.992 -8.740 10.305 180 HG13 ILE 29 2HG1 ILE 29 0.198 -8.250 8.336 181 HG21 ILE 29 1HG2 ILE 29 -1.294 -11.056 8.415 182 HG22 ILE 29 2HG2 ILE 29 0.192 -10.532 9.215 183 HG23 ILE 29 3HG2 ILE 29 -1.179 -11.116 10.196 184 HD11 ILE 29 3HD1 ILE 29 -0.796 -8.133 6.140 185 HD12 ILE 29 1HD1 ILE 29 -0.659 -9.800 6.670 186 HD13 ILE 29 2HD1 ILE 29 -2.247 -8.966 6.680 187 HA PRO 30 HA PRO 30 -4.878 -5.374 10.116 188 HB3 PRO 30 2HB PRO 30 -4.767 -5.335 12.457 189 HG3 PRO 30 2HG PRO 30 -2.703 -5.897 13.610 190 HD3 PRO 30 2HD PRO 30 -3.379 -7.816 12.334 191 H LEU 31 H LEU 31 -4.335 -2.992 9.777 192 HA LEU 31 HA LEU 31 -2.463 -2.493 7.788 193 HB3 LEU 31 2HB LEU 31 -3.629 -0.526 9.802 194 HG LEU 31 HG LEU 31 -3.442 1.116 7.961 195 HD11 LEU 31 1HD1 LEU 31 -1.265 1.909 8.313 196 HD12 LEU 31 2HD1 LEU 31 -0.596 0.322 8.685 197 HD13 LEU 31 3HD1 LEU 31 -1.709 1.110 9.824 198 HD21 LEU 31 3HD2 LEU 31 -1.913 0.809 6.105 199 HD22 LEU 31 1HD2 LEU 31 -3.072 -0.540 6.124 200 HD23 LEU 31 2HD2 LEU 31 -1.424 -0.770 6.723 201 HA PRO 32 HA PRO 32 0.833 -1.149 10.948 202 HB3 PRO 32 2HB PRO 32 0.212 -0.268 12.836 203 HG3 PRO 32 2HG PRO 32 -1.902 -0.918 13.834 204 HD3 PRO 32 2HD PRO 32 -2.273 -0.388 11.551 205 H ALA 33 H ALA 33 -0.196 -4.061 10.094 206 HA ALA 33 HA ALA 33 2.443 -5.284 10.703 207 HB1 ALA 33 1HB ALA 33 -0.187 -6.717 10.529 208 HB2 ALA 33 2HB ALA 33 1.407 -7.499 10.653 209 HB3 ALA 33 3HB ALA 33 0.792 -6.518 12.003 210 H PHE 34 H PHE 34 -0.247 -4.807 8.399 211 HA PHE 34 HA PHE 34 0.623 -6.519 6.416 212 HB3 PHE 34 2HB PHE 34 -1.030 -4.003 6.211 213 HD1 PHE 34 1HD PHE 34 -0.254 -7.293 4.400 214 HD2 PHE 34 2HD PHE 34 -1.728 -3.226 4.106 215 HE1 PHE 34 1HE PHE 34 -0.462 -7.518 1.966 216 HE2 PHE 34 2HE PHE 34 -1.974 -3.503 1.678 217 HZ PHE 34 HZ PHE 34 -1.338 -5.633 0.589 218 H GLY 35 H GLY 35 2.098 -3.516 7.188 219 HA2 GLY 35 1HA GLY 35 3.767 -3.732 4.723 220 HA3 GLY 35 2HA GLY 35 3.456 -2.247 5.569 221 H GLN 36 H GLN 36 3.793 -2.778 8.152 222 HA GLN 36 HA GLN 36 6.402 -2.657 8.767 223 HB3 GLN 36 2HB GLN 36 5.452 -3.763 11.028 224 HG3 GLN 36 2HG GLN 36 5.967 -1.386 10.785 225 HE21 GLN 36 1HE2 GLN 36 5.652 0.096 9.106 226 HE22 GLN 36 2HE2 GLN 36 4.035 0.879 8.940 227 H ARG 37 H ARG 37 4.685 -5.833 8.474 228 HA ARG 37 HA ARG 37 7.353 -7.147 8.756 229 HB3 ARG 37 2HB ARG 37 5.970 -9.067 9.736 230 HG3 ARG 37 2HG ARG 37 6.027 -6.597 11.482 231 HD3 ARG 37 2HD ARG 37 6.337 -9.607 11.859 232 HE ARG 37 HE ARG 37 7.582 -7.578 13.511 233 HH11 ARG 37 1HH1 ARG 37 5.998 -10.807 13.726 234 HH12 ARG 37 2HH1 ARG 37 7.169 -11.396 14.860 235 HH21 ARG 37 1HH2 ARG 37 9.101 -8.508 15.111 236 HH22 ARG 37 2HH2 ARG 37 8.843 -10.137 15.613 237 H ILE 38 H ILE 38 5.810 -6.306 6.334 238 HA ILE 38 HA ILE 38 5.725 -8.986 4.968 239 HB ILE 38 HB ILE 38 3.615 -6.888 4.595 240 HG13 ILE 38 2HG1 ILE 38 1.999 -7.992 5.842 241 HG21 ILE 38 1HG2 ILE 38 3.811 -8.243 2.628 242 HG22 ILE 38 2HG2 ILE 38 3.722 -9.737 3.579 243 HG23 ILE 38 3HG2 ILE 38 2.307 -8.662 3.447 244 HD11 ILE 38 3HD1 ILE 38 2.242 -10.298 5.642 245 HD12 ILE 38 1HD1 ILE 38 3.892 -10.285 6.360 246 HD13 ILE 38 2HD1 ILE 38 2.461 -9.922 7.346 247 H ILE 39 H ILE 39 5.868 -5.444 4.682 248 HA ILE 39 HA ILE 39 6.759 -5.611 1.856 249 HB ILE 39 HB ILE 39 5.589 -3.328 3.471 250 HG13 ILE 39 2HG1 ILE 39 3.486 -3.620 2.326 251 HG21 ILE 39 1HG2 ILE 39 6.859 -2.435 1.628 252 HG22 ILE 39 2HG2 ILE 39 6.027 -3.464 0.476 253 HG23 ILE 39 3HG2 ILE 39 5.138 -2.189 1.334 254 HD11 ILE 39 3HD1 ILE 39 4.575 -6.146 1.050 255 HD12 ILE 39 1HD1 ILE 39 2.892 -5.582 1.026 256 HD13 ILE 39 2HD1 ILE 39 4.141 -4.659 0.176 257 H GLY 40 H GLY 40 8.048 -5.330 5.020 258 HA2 GLY 40 1HA GLY 40 10.099 -4.713 5.779 259 HA3 GLY 40 2HA GLY 40 10.638 -4.675 4.092 260 H TRP 41 H TRP 41 8.000 -2.561 4.760 261 HA TRP 41 HA TRP 41 9.702 -0.281 4.169 262 HB3 TRP 41 2HB TRP 41 7.470 -0.798 3.107 263 HD1 TRP 41 HD TRP 41 6.742 -1.039 6.637 264 HE1 TRP 41 1HE TRP 41 4.362 -0.520 7.236 265 HE3 TRP 41 3HE TRP 41 5.112 0.858 2.089 266 HZ2 TRP 41 2HZ TRP 41 2.017 0.647 5.990 267 HZ3 TRP 41 3HZ TRP 41 2.779 1.552 1.857 268 HH2 TRP 41 HH TRP 41 1.258 1.523 3.822 269 H GLY 42 H GLY 42 9.811 -1.629 6.823 270 HA2 GLY 42 1HA GLY 42 9.994 -1.216 9.066 271 HA3 GLY 42 2HA GLY 42 10.515 0.419 8.580 272 H THR 43 H THR 43 9.464 1.961 9.274 273 HA THR 43 HA THR 43 6.624 2.090 8.997 274 HB THR 43 HB THR 43 7.641 2.720 11.789 275 HG1 THR 43 1HG THR 43 6.663 0.894 12.523 276 HG21 THR 43 3HG2 THR 43 4.881 2.403 10.602 277 HG22 THR 43 1HG2 THR 43 5.691 3.950 10.956 278 HG23 THR 43 2HG2 THR 43 5.245 2.843 12.281 279 H GLY 44 H GLY 44 6.487 3.977 7.955 280 HA2 GLY 44 1HA GLY 44 6.467 6.362 8.164 281 HA3 GLY 44 2HA GLY 44 8.061 6.310 8.925 282 H ALA 45 H ALA 45 8.658 7.766 7.377 283 HA ALA 45 HA ALA 45 8.426 7.418 4.494 284 HB1 ALA 45 1HB ALA 45 10.076 9.347 6.192 285 HB2 ALA 45 2HB ALA 45 9.870 9.466 4.442 286 HB3 ALA 45 3HB ALA 45 8.469 9.650 5.511 287 H GLU 46 H GLU 46 11.185 7.352 6.794 288 HA GLU 46 HA GLU 46 13.326 6.649 5.203 289 HB3 GLU 46 2HB GLU 46 13.637 5.349 7.654 290 HG3 GLU 46 2HG GLU 46 13.983 8.266 6.911 291 H GLY 47 H GLY 47 11.394 4.388 7.199 292 HA2 GLY 47 1HA GLY 47 12.468 2.098 6.408 293 HA3 GLY 47 2HA GLY 47 10.774 2.219 6.858 294 H ALA 48 H ALA 48 9.749 3.704 4.746 295 HA ALA 48 HA ALA 48 9.456 1.723 2.683 296 HB1 ALA 48 1HB ALA 48 7.629 3.263 3.272 297 HB2 ALA 48 2HB ALA 48 8.609 4.650 2.765 298 HB3 ALA 48 3HB ALA 48 8.070 3.454 1.563 299 H ARG 49 H ARG 49 11.589 4.646 2.913 300 HA ARG 49 HA ARG 49 12.077 4.788 0.085 301 HB3 ARG 49 2HB ARG 49 13.708 5.779 2.478 302 HG3 ARG 49 2HG ARG 49 13.647 6.774 -0.403 303 HD3 ARG 49 2HD ARG 49 15.453 7.405 1.969 304 HE ARG 49 HE ARG 49 15.906 7.772 -0.791 305 HH11 ARG 49 1HH1 ARG 49 16.161 9.549 2.315 306 HH12 ARG 49 2HH1 ARG 49 17.324 10.691 1.717 307 HH21 ARG 49 1HH2 ARG 49 17.312 9.380 -1.596 308 HH22 ARG 49 2HH2 ARG 49 18.019 10.596 -0.604 309 H GLN 50 H GLN 50 13.904 3.449 2.888 310 HA GLN 50 HA GLN 50 16.169 2.693 1.382 311 HB3 GLN 50 2HB GLN 50 16.381 1.233 3.622 312 HG3 GLN 50 2HG GLN 50 17.881 3.030 3.123 313 HE21 GLN 50 1HE2 GLN 50 16.969 4.579 1.421 314 HE22 GLN 50 2HE2 GLN 50 16.672 6.163 2.038 315 H ARG 51 H ARG 51 13.055 1.128 1.710 316 HA ARG 51 HA ARG 51 14.274 -1.350 0.702 317 HB3 ARG 51 2HB ARG 51 11.307 -0.979 1.275 318 HG3 ARG 51 2HG ARG 51 12.053 -3.219 0.400 319 HD3 ARG 51 2HD ARG 51 13.753 -3.070 2.894 320 HE ARG 51 HE ARG 51 12.541 -5.502 1.735 321 HH11 ARG 51 1HH1 ARG 51 14.512 -4.075 4.367 322 HH12 ARG 51 2HH1 ARG 51 14.707 -5.605 5.149 323 HH21 ARG 51 1HH2 ARG 51 13.181 -7.558 2.700 324 HH22 ARG 51 2HH2 ARG 51 13.915 -7.514 4.283 325 H LEU 52 H LEU 52 11.882 1.063 -0.272 326 HA LEU 52 HA LEU 52 11.005 0.107 -2.712 327 HB3 LEU 52 2HB LEU 52 11.763 2.855 -1.760 328 HG LEU 52 HG LEU 52 9.524 3.237 -3.268 329 HD11 LEU 52 1HD1 LEU 52 10.480 4.848 -4.456 330 HD12 LEU 52 2HD1 LEU 52 12.018 4.027 -4.553 331 HD13 LEU 52 3HD1 LEU 52 11.489 4.755 -3.010 332 HD21 LEU 52 3HD2 LEU 52 9.887 1.089 -4.558 333 HD22 LEU 52 1HD2 LEU 52 11.213 1.963 -5.360 334 HD23 LEU 52 2HD2 LEU 52 9.563 2.575 -5.457 335 H GLU 53 H GLU 53 13.731 2.399 -2.274 336 HA GLU 53 HA GLU 53 13.619 2.778 -4.978 337 HB3 GLU 53 2HB GLU 53 15.887 3.972 -4.744 338 HG3 GLU 53 2HG GLU 53 13.970 4.624 -2.455 339 H ASN 54 H ASN 54 15.179 0.234 -3.398 340 HA ASN 54 HA ASN 54 16.814 -0.481 -5.698 341 HB3 ASN 54 2HB ASN 54 18.417 0.191 -4.237 342 HD21 ASN 54 1HD2 ASN 54 16.142 -1.438 -1.819 343 HD22 ASN 54 2HD2 ASN 54 16.070 -0.002 -0.832 344 H ILE 55 H ILE 55 14.074 -1.445 -4.558 345 HA ILE 55 HA ILE 55 14.226 -3.985 -3.389 346 HB ILE 55 HB ILE 55 12.383 -2.234 -3.663 347 HG13 ILE 55 2HG1 ILE 55 12.290 -4.775 -2.801 348 HG21 ILE 55 1HG2 ILE 55 12.461 -2.195 -6.173 349 HG22 ILE 55 2HG2 ILE 55 11.628 -3.765 -6.164 350 HG23 ILE 55 3HG2 ILE 55 10.850 -2.339 -5.446 351 HD11 ILE 55 3HD1 ILE 55 11.058 -2.734 -1.969 352 HD12 ILE 55 1HD1 ILE 55 9.781 -3.128 -3.154 353 HD13 ILE 55 2HD1 ILE 55 10.210 -4.262 -1.843 354 H GLN 56 H GLN 56 13.633 -6.113 -4.288 355 HA GLN 56 HA GLN 56 14.689 -6.516 -7.072 356 HB3 GLN 56 2HB GLN 56 15.106 -8.854 -6.125 357 HG3 GLN 56 2HG GLN 56 16.743 -6.689 -6.088 358 HE21 GLN 56 1HE2 GLN 56 16.614 -5.053 -4.308 359 HE22 GLN 56 2HE2 GLN 56 16.850 -5.572 -2.644 360 HA PRO 57 HA PRO 57 10.777 -8.447 -8.143 361 HB3 PRO 57 2HB PRO 57 11.618 -9.153 -10.169 362 HG3 PRO 57 2HG PRO 57 13.881 -9.886 -10.379 363 HD3 PRO 57 2HD PRO 57 13.944 -7.746 -9.333 364 H ALA 58 H ALA 58 13.274 -10.493 -6.482 365 HA ALA 58 HA ALA 58 11.369 -12.487 -5.678 366 HB1 ALA 58 1HB ALA 58 13.082 -13.157 -4.046 367 HB2 ALA 58 2HB ALA 58 13.770 -12.917 -5.667 368 HB3 ALA 58 3HB ALA 58 14.000 -11.680 -4.400 369 H ASP 59 H ASP 59 12.207 -9.323 -4.384 370 HA ASP 59 HA ASP 59 11.090 -9.632 -1.752 371 HB3 ASP 59 2HB ASP 59 11.047 -7.093 -1.791 372 H VAL 60 H VAL 60 9.669 -9.333 -4.912 373 HA VAL 60 HA VAL 60 7.097 -8.321 -3.873 374 HB VAL 60 HB VAL 60 8.123 -8.942 -6.676 375 HG11 VAL 60 1HG1 VAL 60 5.830 -9.411 -6.861 376 HG12 VAL 60 2HG1 VAL 60 5.367 -8.097 -5.756 377 HG13 VAL 60 3HG1 VAL 60 6.007 -7.733 -7.373 378 HG21 VAL 60 3HG2 VAL 60 7.529 -6.431 -5.086 379 HG22 VAL 60 1HG2 VAL 60 9.107 -6.962 -5.736 380 HG23 VAL 60 2HG2 VAL 60 7.816 -6.431 -6.813 381 H SER 61 H SER 61 8.440 -11.266 -5.448 382 HA SER 61 HA SER 61 6.116 -12.899 -5.046 383 HB3 SER 61 2HB SER 61 7.601 -14.661 -5.777 384 HG SER 61 HG SER 61 7.135 -13.030 -7.388 385 H MET 62 H MET 62 7.294 -11.584 -2.508 386 HA MET 62 HA MET 62 7.150 -13.980 -0.773 387 HB3 MET 62 2HB MET 62 9.185 -12.591 -0.528 388 HG3 MET 62 2HG MET 62 7.396 -10.536 0.798 389 HE1 MET 62 3HE MET 62 10.992 -10.625 2.499 390 HE2 MET 62 1HE MET 62 9.252 -10.976 2.707 391 HE3 MET 62 2HE MET 62 10.265 -12.039 1.701 392 H ILE 63 H ILE 63 5.775 -10.824 -1.734 393 HA ILE 63 HA ILE 63 4.163 -10.445 0.547 394 HB ILE 63 HB ILE 63 3.961 -9.302 -2.281 395 HG13 ILE 63 2HG1 ILE 63 6.166 -8.943 -1.061 396 HG21 ILE 63 1HG2 ILE 63 1.857 -8.917 -1.104 397 HG22 ILE 63 2HG2 ILE 63 2.716 -8.275 0.312 398 HG23 ILE 63 3HG2 ILE 63 2.715 -7.402 -1.235 399 HD11 ILE 63 3HD1 ILE 63 6.359 -6.589 -1.418 400 HD12 ILE 63 1HD1 ILE 63 5.433 -7.321 -2.741 401 HD13 ILE 63 2HD1 ILE 63 4.610 -6.385 -1.478 402 H LYS 64 H LYS 64 3.556 -12.217 -2.471 403 HA LYS 64 HA LYS 64 0.659 -12.289 -2.077 404 HB3 LYS 64 2HB LYS 64 0.534 -13.730 -3.899 405 HG3 LYS 64 2HG LYS 64 1.651 -11.293 -4.289 406 HD3 LYS 64 2HD LYS 64 3.587 -13.315 -5.511 407 HE3 LYS 64 2HE LYS 64 4.643 -11.157 -6.406 408 HZ1 LYS 64 3HZ LYS 64 3.289 -11.251 -8.374 409 HZ2 LYS 64 1HZ LYS 64 2.100 -12.127 -7.598 410 HZ3 LYS 64 2HZ LYS 64 3.632 -12.703 -7.836 411 H LYS 65 H LYS 65 3.418 -14.224 -1.026 412 HA LYS 65 HA LYS 65 1.883 -16.517 -0.255 413 HB3 LYS 65 2HB LYS 65 3.926 -16.847 1.314 414 HG3 LYS 65 2HG LYS 65 3.668 -17.290 -1.464 415 HD3 LYS 65 2HD LYS 65 5.614 -15.399 -1.361 416 HE3 LYS 65 2HE LYS 65 6.908 -17.770 -0.282 417 HZ1 LYS 65 3HZ LYS 65 8.846 -17.508 -1.784 418 HZ2 LYS 65 1HZ LYS 65 7.884 -16.705 -2.866 419 HZ3 LYS 65 2HZ LYS 65 7.602 -18.292 -2.505 420 H GLN 66 H GLN 66 2.156 -13.320 1.079 421 HA GLN 66 HA GLN 66 1.230 -14.218 3.718 422 HB3 GLN 66 2HB GLN 66 1.298 -11.626 4.063 423 HG3 GLN 66 2HG GLN 66 2.770 -13.323 5.137 424 HE21 GLN 66 1HE2 GLN 66 5.274 -11.695 3.296 425 HE22 GLN 66 2HE2 GLN 66 5.847 -13.184 2.480 426 H GLY 67 H GLY 67 -0.369 -14.040 0.874 427 HA2 GLY 67 1HA GLY 67 -2.638 -14.506 0.853 428 HA3 GLY 67 2HA GLY 67 -2.846 -13.648 2.379 429 H THR 68 H THR 68 -1.048 -12.153 -0.187 430 HA THR 68 HA THR 68 -2.995 -9.954 -0.273 431 HB THR 68 HB THR 68 -0.168 -10.069 -1.401 432 HG1 THR 68 1HG THR 68 0.533 -10.329 0.514 433 HG21 THR 68 3HG2 THR 68 -0.131 -7.671 -0.670 434 HG22 THR 68 1HG2 THR 68 -1.835 -7.807 -0.234 435 HG23 THR 68 2HG2 THR 68 -1.330 -7.986 -1.931 436 H THR 69 H THR 69 -3.326 -8.822 -2.523 437 HA THR 69 HA THR 69 -2.658 -10.448 -4.861 438 HB THR 69 HB THR 69 -4.955 -9.886 -5.805 439 HG1 THR 69 1HG THR 69 -6.603 -9.606 -4.301 440 HG21 THR 69 3HG2 THR 69 -5.012 -11.905 -3.535 441 HG22 THR 69 1HG2 THR 69 -4.178 -12.172 -5.085 442 HG23 THR 69 2HG2 THR 69 -5.924 -11.926 -5.063 443 H LEU 70 H LEU 70 -3.008 -9.118 -6.861 444 HA LEU 70 HA LEU 70 -1.582 -6.714 -6.799 445 HB3 LEU 70 2HB LEU 70 -3.455 -8.014 -8.816 446 HG LEU 70 HG LEU 70 -3.137 -5.673 -9.579 447 HD11 LEU 70 1HD1 LEU 70 -0.175 -6.373 -9.378 448 HD12 LEU 70 2HD1 LEU 70 -1.042 -5.080 -8.480 449 HD13 LEU 70 3HD1 LEU 70 -0.840 -4.966 -10.230 450 HD21 LEU 70 3HD2 LEU 70 -1.468 -7.755 -11.072 451 HD22 LEU 70 1HD2 LEU 70 -2.240 -6.322 -11.769 452 HD23 LEU 70 2HD2 LEU 70 -3.241 -7.623 -11.134 453 H GLU 71 H GLU 71 -5.111 -7.228 -6.716 454 HA GLU 71 HA GLU 71 -6.057 -4.586 -6.980 455 HB3 GLU 71 2HB GLU 71 -7.862 -5.489 -5.446 456 HG3 GLU 71 2HG GLU 71 -7.504 -7.538 -7.605 457 H MET 72 H MET 72 -4.492 -6.200 -4.258 458 HA MET 72 HA MET 72 -5.517 -4.358 -2.248 459 HB3 MET 72 2HB MET 72 -3.087 -5.880 -1.570 460 HG3 MET 72 2HG MET 72 -5.917 -5.866 -0.550 461 HE1 MET 72 3HE MET 72 -6.783 -8.206 -0.104 462 HE2 MET 72 1HE MET 72 -5.659 -8.562 -1.439 463 HE3 MET 72 2HE MET 72 -5.699 -9.610 0.006 464 H ILE 73 H ILE 73 -2.574 -4.794 -4.150 465 HA ILE 73 HA ILE 73 -1.072 -2.757 -2.798 466 HB ILE 73 HB ILE 73 -0.694 -4.034 -5.535 467 HG13 ILE 73 2HG1 ILE 73 1.016 -5.462 -4.173 468 HG21 ILE 73 1HG2 ILE 73 1.315 -2.585 -3.775 469 HG22 ILE 73 2HG2 ILE 73 1.705 -3.511 -5.249 470 HG23 ILE 73 3HG2 ILE 73 0.711 -2.062 -5.366 471 HD11 ILE 73 3HD1 ILE 73 0.347 -4.189 -1.898 472 HD12 ILE 73 1HD1 ILE 73 -0.983 -5.334 -1.932 473 HD13 ILE 73 2HD1 ILE 73 0.681 -5.932 -1.936 474 H THR 74 H THR 74 -2.959 -2.806 -5.826 475 HA THR 74 HA THR 74 -2.403 -0.091 -6.549 476 HB THR 74 HB THR 74 -4.614 -0.468 -7.901 477 HG1 THR 74 1HG THR 74 -3.965 -3.176 -7.261 478 HG21 THR 74 3HG2 THR 74 -3.363 -1.785 -9.570 479 HG22 THR 74 1HG2 THR 74 -2.148 -2.216 -8.345 480 HG23 THR 74 2HG2 THR 74 -2.345 -0.527 -8.852 481 H ALA 75 H ALA 75 -5.042 -1.440 -4.479 482 HA ALA 75 HA ALA 75 -6.367 1.054 -4.150 483 HB1 ALA 75 1HB ALA 75 -6.113 -1.270 -2.188 484 HB2 ALA 75 2HB ALA 75 -7.294 0.054 -2.092 485 HB3 ALA 75 3HB ALA 75 -7.355 -1.080 -3.454 486 H TRP 76 H TRP 76 -3.790 -0.444 -2.126 487 HA TRP 76 HA TRP 76 -3.632 1.790 -0.339 488 HB3 TRP 76 2HB TRP 76 -1.309 0.688 0.160 489 HD1 TRP 76 HD TRP 76 -3.693 -2.256 0.149 490 HE1 TRP 76 1HE TRP 76 -5.095 -2.312 2.212 491 HE3 TRP 76 3HE TRP 76 -2.463 2.319 2.055 492 HZ2 TRP 76 2HZ TRP 76 -5.526 -0.653 4.594 493 HZ3 TRP 76 3HZ TRP 76 -3.397 3.062 4.229 494 HH2 TRP 76 HH TRP 76 -4.923 1.546 5.505 495 H GLN 77 H GLN 77 -1.884 1.051 -3.340 496 HA GLN 77 HA GLN 77 0.102 3.061 -3.237 497 HB3 GLN 77 2HB GLN 77 -1.474 1.766 -5.497 498 HG3 GLN 77 2HG GLN 77 0.947 3.579 -5.707 499 HE21 GLN 77 1HE2 GLN 77 1.039 4.158 -8.195 500 HE22 GLN 77 2HE2 GLN 77 1.338 2.658 -9.138 501 H ASP 78 H ASP 78 -3.166 3.159 -4.738 502 HA ASP 78 HA ASP 78 -3.068 5.869 -5.489 503 HB3 ASP 78 2HB ASP 78 -5.791 5.154 -4.960 504 H PHE 79 H PHE 79 -4.429 4.382 -2.507 505 HA PHE 79 HA PHE 79 -5.405 6.750 -1.338 506 HB3 PHE 79 2HB PHE 79 -4.231 4.223 -0.139 507 HD1 PHE 79 1HD PHE 79 -7.012 6.381 1.111 508 HD2 PHE 79 2HD PHE 79 -2.972 5.000 1.760 509 HE1 PHE 79 1HE PHE 79 -7.025 7.395 3.400 510 HE2 PHE 79 2HE PHE 79 -2.977 6.059 3.999 511 HZ PHE 79 HZ PHE 79 -4.988 7.268 4.795 512 H TYR 80 H TYR 80 -2.028 5.477 -1.282 513 HA TYR 80 HA TYR 80 -1.141 7.694 0.388 514 HB3 TYR 80 2HB TYR 80 1.169 6.884 -0.302 515 HD1 TYR 80 1HD TYR 80 -0.029 7.201 2.223 516 HD2 TYR 80 2HD TYR 80 0.463 3.550 -0.015 517 HE1 TYR 80 1HE TYR 80 -0.429 5.936 4.252 518 HE2 TYR 80 2HE TYR 80 0.047 2.237 2.024 519 HH TYR 80 HH TYR 80 -0.717 2.345 4.291 520 H GLU 81 H GLU 81 -1.293 7.109 -3.145 521 HA GLU 81 HA GLU 81 0.124 9.511 -3.873 522 HB3 GLU 81 2HB GLU 81 -1.239 9.150 -6.047 523 HG3 GLU 81 2HG GLU 81 0.330 6.850 -4.826 524 H GLN 82 H GLN 82 -3.089 8.904 -2.926 525 HA GLN 82 HA GLN 82 -4.064 11.621 -3.369 526 HB3 GLN 82 2HB GLN 82 -5.843 10.924 -1.574 527 HG3 GLN 82 2HG GLN 82 -5.873 10.822 -4.314 528 HE21 GLN 82 1HE2 GLN 82 -5.362 9.149 -5.783 529 HE22 GLN 82 2HE2 GLN 82 -5.913 7.539 -5.643 530 H GLU 83 H GLU 83 -2.534 10.115 -0.439 531 HA GLU 83 HA GLU 83 -2.990 12.674 0.966 532 HB3 GLU 83 2HB GLU 83 -3.387 10.977 2.459 533 HG3 GLU 83 2HG GLU 83 -0.877 9.641 1.556 534 H GLN 84 H GLN 84 -0.830 11.769 -1.371 535 HA GLN 84 HA GLN 84 1.341 13.368 -0.142 536 HB3 GLN 84 2HB GLN 84 1.482 11.026 -1.286 537 HG3 GLN 84 2HG GLN 84 2.517 12.647 -3.595 538 HE21 GLN 84 1HE2 GLN 84 1.473 9.493 -2.233 539 HE22 GLN 84 2HE2 GLN 84 2.484 8.525 -3.262 540 H GLN 85 H GLN 85 -0.473 13.031 -3.160 541 HA GLN 85 HA GLN 85 0.617 15.225 -4.468 542 HB3 GLN 85 2HB GLN 85 -0.843 13.493 -5.474 543 HG3 GLN 85 2HG GLN 85 -3.143 15.277 -4.598 544 HE21 GLN 85 1HE2 GLN 85 -5.141 13.782 -4.556 545 HE22 GLN 85 2HE2 GLN 85 -5.533 13.101 -6.138 546 H ARG 86 H ARG 86 -1.840 15.289 -1.989 547 HA ARG 86 HA ARG 86 -2.706 17.996 -2.284 548 HB3 ARG 86 2HB ARG 86 -3.991 16.543 -0.865 549 HG3 ARG 86 2HG ARG 86 -1.592 16.414 1.014 550 HD3 ARG 86 2HD ARG 86 -2.955 14.794 2.295 551 HE ARG 86 HE ARG 86 -3.467 17.619 2.265 552 HH11 ARG 86 1HH1 ARG 86 -4.000 14.679 4.187 553 HH12 ARG 86 2HH1 ARG 86 -4.596 15.580 5.525 554 HH21 ARG 86 1HH2 ARG 86 -4.406 18.721 3.974 555 HH22 ARG 86 2HH2 ARG 86 -4.761 17.841 5.445 556 H ASN 87 H ASN 87 0.393 16.751 -0.753 557 HA ASN 87 HA ASN 87 1.216 19.478 -0.599 558 HB3 ASN 87 2HB ASN 87 -0.021 19.025 1.573 559 HD21 ASN 87 1HD2 ASN 87 -0.043 16.472 1.928 560 HD22 ASN 87 2HD2 ASN 87 0.933 15.967 3.239 561 H GLU 88 H GLU 88 3.313 19.633 -1.027 562 HA GLU 88 HA GLU 88 4.876 17.384 -1.826 563 HB3 GLU 88 2HB GLU 88 6.719 19.415 -1.295 564 HG3 GLU 88 2HG GLU 88 6.211 20.226 -3.666 565 H ASN 89 H ASN 89 4.414 18.912 1.284 566 HA ASN 89 HA ASN 89 6.880 17.932 2.444 567 HB3 ASN 89 2HB ASN 89 6.213 18.990 4.462 568 HD21 ASN 89 1HD2 ASN 89 7.469 20.043 2.086 569 HD22 ASN 89 2HD2 ASN 89 6.939 21.695 1.935 570 H ASN 90 H ASN 90 4.464 15.979 1.526 571 HA ASN 90 HA ASN 90 4.653 14.329 4.018 572 HB3 ASN 90 2HB ASN 90 2.707 13.953 1.737 573 HD21 ASN 90 1HD2 ASN 90 0.855 12.619 2.643 574 HD22 ASN 90 2HD2 ASN 90 1.089 11.344 3.754 575 HA PRO 91 HA PRO 91 7.526 12.182 1.134 576 HB3 PRO 91 2HB PRO 91 9.326 13.129 2.301 577 HG3 PRO 91 2HG PRO 91 9.172 13.603 4.640 578 HD3 PRO 91 2HD PRO 91 7.478 14.776 3.614 579 H THR 92 H THR 92 5.772 11.284 4.104 580 HA THR 92 HA THR 92 6.621 8.583 4.293 581 HB THR 92 HB THR 92 4.141 10.057 5.252 582 HG1 THR 92 1HG THR 92 6.325 9.386 6.883 583 HG21 THR 92 3HG2 THR 92 5.175 7.338 6.069 584 HG22 THR 92 1HG2 THR 92 3.591 7.777 5.363 585 HG23 THR 92 2HG2 THR 92 3.985 8.311 6.995 586 H ALA 93 H ALA 93 3.522 9.987 3.106 587 HA ALA 93 HA ALA 93 2.562 7.638 1.858 588 HB1 ALA 93 1HB ALA 93 1.275 9.660 2.327 589 HB2 ALA 93 2HB ALA 93 2.142 10.550 1.054 590 HB3 ALA 93 3HB ALA 93 1.136 9.141 0.655 591 H LYS 94 H LYS 94 4.570 10.341 0.603 592 HA LYS 94 HA LYS 94 4.687 9.630 -2.048 593 HB3 LYS 94 2HB LYS 94 7.268 10.574 -0.831 594 HG3 LYS 94 2HG LYS 94 5.606 11.121 -3.224 595 HD3 LYS 94 2HD LYS 94 5.237 13.206 -1.962 596 HE3 LYS 94 2HE LYS 94 8.294 13.275 -2.244 597 HZ1 LYS 94 3HZ LYS 94 6.859 15.546 -1.060 598 HZ2 LYS 94 1HZ LYS 94 7.064 15.512 -2.679 599 HZ3 LYS 94 2HZ LYS 94 8.353 15.482 -1.704 600 H TYR 95 H TYR 95 7.102 8.444 0.360 601 HA TYR 95 HA TYR 95 8.334 6.679 -1.562 602 HB3 TYR 95 2HB TYR 95 9.361 5.614 0.453 603 HD1 TYR 95 1HD TYR 95 10.730 7.093 -1.472 604 HD2 TYR 95 2HD TYR 95 9.437 8.444 2.424 605 HE1 TYR 95 1HE TYR 95 12.486 8.856 -1.479 606 HE2 TYR 95 2HE TYR 95 11.229 10.116 2.465 607 HH TYR 95 HH TYR 95 13.023 11.016 1.374 608 H ARG 96 H ARG 96 5.747 6.113 0.916 609 HA ARG 96 HA ARG 96 5.431 3.361 0.625 610 HB3 ARG 96 2HB ARG 96 2.983 3.947 1.192 611 HG3 ARG 96 2HG ARG 96 5.249 5.025 2.928 612 HD3 ARG 96 2HD ARG 96 2.349 4.284 3.462 613 HE ARG 96 HE ARG 96 4.485 3.739 5.189 614 HH11 ARG 96 1HH1 ARG 96 1.358 5.437 5.277 615 HH12 ARG 96 2HH1 ARG 96 1.159 5.269 6.983 616 HH21 ARG 96 1HH2 ARG 96 4.106 3.298 7.346 617 HH22 ARG 96 2HH2 ARG 96 2.604 3.828 8.118 618 H ALA 97 H ALA 97 3.751 5.874 -1.173 619 HA ALA 97 HA ALA 97 2.132 4.262 -2.877 620 HB1 ALA 97 1HB ALA 97 1.746 6.644 -2.823 621 HB2 ALA 97 2HB ALA 97 3.446 6.992 -3.269 622 HB3 ALA 97 3HB ALA 97 2.360 6.254 -4.451 623 H ARG 98 H ARG 98 5.333 5.772 -3.499 624 HA ARG 98 HA ARG 98 5.748 4.559 -5.955 625 HB3 ARG 98 2HB ARG 98 8.316 4.807 -5.033 626 HG3 ARG 98 2HG ARG 98 6.410 7.002 -5.918 627 HD3 ARG 98 2HD ARG 98 9.271 7.033 -4.997 628 HE ARG 98 HE ARG 98 8.409 8.978 -7.075 629 HH11 ARG 98 1HH1 ARG 98 10.561 6.309 -6.332 630 HH12 ARG 98 2HH1 ARG 98 11.906 6.871 -7.242 631 HH21 ARG 98 1HH2 ARG 98 10.136 9.787 -8.367 632 HH22 ARG 98 2HH2 ARG 98 11.698 9.083 -8.248 633 H LEU 99 H LEU 99 6.503 3.270 -2.739 634 HA LEU 99 HA LEU 99 7.904 0.954 -3.587 635 HB3 LEU 99 2HB LEU 99 6.273 1.561 -1.091 636 HG LEU 99 HG LEU 99 6.460 -0.778 -0.936 637 HD11 LEU 99 1HD1 LEU 99 8.519 -2.036 -1.258 638 HD12 LEU 99 2HD1 LEU 99 9.380 -0.570 -1.724 639 HD13 LEU 99 3HD1 LEU 99 8.092 -1.228 -2.768 640 HD21 LEU 99 3HD2 LEU 99 8.238 -0.972 0.866 641 HD22 LEU 99 1HD2 LEU 99 7.173 0.445 1.058 642 HD23 LEU 99 2HD2 LEU 99 8.825 0.623 0.416 643 H MET 100 H MET 100 4.444 1.323 -2.666 644 HA MET 100 HA MET 100 3.565 -1.226 -3.481 645 HB3 MET 100 2HB MET 100 1.321 -0.250 -3.605 646 HG3 MET 100 2HG MET 100 1.020 0.538 -1.420 647 HE1 MET 100 3HE MET 100 0.786 -0.968 0.610 648 HE2 MET 100 1HE MET 100 0.418 -1.846 -0.900 649 HE3 MET 100 2HE MET 100 1.345 -2.644 0.393 650 H LYS 101 H LYS 101 3.719 1.746 -5.458 651 HA LYS 101 HA LYS 101 2.715 0.869 -7.900 652 HB3 LYS 101 2HB LYS 101 5.048 2.714 -7.346 653 HG3 LYS 101 2HG LYS 101 3.285 2.325 -9.790 654 HD3 LYS 101 2HD LYS 101 4.366 4.777 -8.489 655 HE3 LYS 101 2HE LYS 101 4.492 4.377 -11.499 656 HZ1 LYS 101 3HZ LYS 101 3.747 6.580 -10.770 657 HZ2 LYS 101 1HZ LYS 101 5.223 6.666 -11.480 658 HZ3 LYS 101 2HZ LYS 101 5.101 6.768 -9.852 659 H LYS 102 H LYS 102 6.126 0.830 -6.942 660 HA LYS 102 HA LYS 102 7.100 -0.638 -9.155 661 HB3 LYS 102 2HB LYS 102 8.356 -0.862 -6.390 662 HG3 LYS 102 2HG LYS 102 9.400 -0.478 -9.237 663 HD3 LYS 102 2HD LYS 102 10.882 -0.234 -6.586 664 HE3 LYS 102 2HE LYS 102 11.862 -0.330 -9.466 665 HZ1 LYS 102 3HZ LYS 102 13.120 1.271 -8.191 666 HZ2 LYS 102 1HZ LYS 102 14.043 -0.067 -8.472 667 HZ3 LYS 102 2HZ LYS 102 13.414 0.174 -6.991 668 H ILE 103 H ILE 103 5.423 -1.804 -6.285 669 HA ILE 103 HA ILE 103 6.483 -4.463 -6.528 670 HB ILE 103 HB ILE 103 4.251 -3.238 -4.880 671 HG13 ILE 103 2HG1 ILE 103 6.777 -2.881 -4.410 672 HG21 ILE 103 1HG2 ILE 103 5.131 -6.129 -4.907 673 HG22 ILE 103 2HG2 ILE 103 4.049 -5.405 -3.711 674 HG23 ILE 103 3HG2 ILE 103 3.537 -5.498 -5.398 675 HD11 ILE 103 3HD1 ILE 103 5.071 -2.588 -2.600 676 HD12 ILE 103 1HD1 ILE 103 5.349 -4.293 -2.154 677 HD13 ILE 103 2HD1 ILE 103 6.659 -3.134 -2.055 678 H ALA 104 H ALA 104 3.492 -2.831 -7.715 679 HA ALA 104 HA ALA 104 2.448 -5.209 -8.984 680 HB1 ALA 104 1HB ALA 104 2.017 -2.250 -9.594 681 HB2 ALA 104 2HB ALA 104 1.051 -3.597 -10.220 682 HB3 ALA 104 3HB ALA 104 1.046 -3.240 -8.476 683 H ASP 105 H ASP 105 5.039 -3.078 -9.825 684 HA ASP 105 HA ASP 105 4.932 -3.501 -12.727 685 HB3 ASP 105 2HB ASP 105 7.509 -2.767 -12.309 686 H LEU 106 H LEU 106 6.035 -5.277 -9.987 687 HA LEU 106 HA LEU 106 7.759 -7.075 -11.632 688 HB3 LEU 106 2HB LEU 106 8.887 -7.429 -9.321 689 HG LEU 106 HG LEU 106 9.030 -4.661 -10.596 690 HD11 LEU 106 1HD1 LEU 106 11.052 -4.322 -9.204 691 HD12 LEU 106 2HD1 LEU 106 10.713 -5.850 -8.341 692 HD13 LEU 106 3HD1 LEU 106 9.590 -4.481 -8.240 693 HD21 LEU 106 3HD2 LEU 106 11.147 -5.400 -11.470 694 HD22 LEU 106 1HD2 LEU 106 9.944 -6.624 -11.885 695 HD23 LEU 106 2HD2 LEU 106 11.070 -6.927 -10.551 696 H TRP 107 H TRP 107 4.791 -7.049 -10.826 697 HA TRP 107 HA TRP 107 4.437 -8.917 -8.859 698 HB3 TRP 107 2HB TRP 107 2.444 -8.617 -11.144 699 HD1 TRP 107 HD TRP 107 0.223 -9.844 -10.432 700 HE1 TRP 107 1HE TRP 107 -0.936 -10.451 -8.277 701 HE3 TRP 107 3HE TRP 107 3.382 -7.492 -7.173 702 HZ2 TRP 107 2HZ TRP 107 -0.614 -9.928 -5.467 703 HZ3 TRP 107 3HZ TRP 107 2.821 -7.473 -4.717 704 HH2 TRP 107 HH TRP 107 0.822 -8.658 -3.879 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -4.103 11.751 12.830 2 HA2 GLY 1 1HA GLY 1 -6.514 13.167 11.835 3 HA3 GLY 1 2HA GLY 1 -5.544 11.991 10.918 4 H THR 2 H THR 2 -7.764 12.401 13.657 5 HA THR 2 HA THR 2 -7.655 9.795 14.635 6 HB THR 2 HB THR 2 -8.428 11.893 15.713 7 HG1 THR 2 1HG THR 2 -10.516 10.120 16.142 8 HG21 THR 2 3HG2 THR 2 -11.071 11.457 14.276 9 HG22 THR 2 1HG2 THR 2 -9.952 12.805 14.030 10 HG23 THR 2 2HG2 THR 2 -10.767 12.606 15.587 11 H ASP 3 H ASP 3 -9.306 8.066 14.627 12 HA ASP 3 HA ASP 3 -10.835 7.828 12.111 13 HB3 ASP 3 2HB ASP 3 -8.598 6.718 11.901 14 H PHE 4 H PHE 4 -12.900 7.335 12.531 15 HA PHE 4 HA PHE 4 -13.745 5.359 14.358 16 HB3 PHE 4 2HB PHE 4 -14.728 8.160 15.071 17 HD1 PHE 4 1HD PHE 4 -13.530 5.083 16.877 18 HD2 PHE 4 2HD PHE 4 -16.875 7.695 16.075 19 HE1 PHE 4 1HE PHE 4 -14.911 3.811 18.476 20 HE2 PHE 4 2HE PHE 4 -18.265 6.380 17.652 21 HZ PHE 4 HZ PHE 4 -17.285 4.439 18.859 22 H GLY 5 H GLY 5 -16.378 5.748 14.470 23 HA2 GLY 5 1HA GLY 5 -18.320 6.702 13.533 24 HA3 GLY 5 2HA GLY 5 -17.420 7.213 12.101 25 H THR 6 H THR 6 -17.111 3.929 13.334 26 HA THR 6 HA THR 6 -18.687 2.689 11.133 27 HB THR 6 HB THR 6 -16.578 1.342 10.732 28 HG1 THR 6 1HG THR 6 -14.673 2.009 11.598 29 HG21 THR 6 3HG2 THR 6 -17.114 3.408 9.346 30 HG22 THR 6 1HG2 THR 6 -15.403 2.952 9.395 31 HG23 THR 6 2HG2 THR 6 -15.982 4.311 10.379 32 H THR 7 H THR 7 -18.881 3.018 14.174 33 HA THR 7 HA THR 7 -18.731 0.332 15.200 34 HB THR 7 HB THR 7 -18.483 2.319 16.598 35 HG1 THR 7 1HG THR 7 -19.192 0.691 17.821 36 HG21 THR 7 3HG2 THR 7 -20.052 3.873 15.475 37 HG22 THR 7 1HG2 THR 7 -20.352 3.744 17.210 38 HG23 THR 7 2HG2 THR 7 -21.418 2.895 16.066 39 H ASN 8 H ASN 8 -20.003 0.396 12.660 40 HA ASN 8 HA ASN 8 -22.577 -0.741 13.057 41 HB3 ASN 8 2HB ASN 8 -22.640 1.696 11.268 42 HD21 ASN 8 1HD2 ASN 8 -24.945 1.839 13.737 43 HD22 ASN 8 2HD2 ASN 8 -26.208 0.890 12.983 44 H ASN 9 H ASN 9 -23.224 -0.439 10.198 45 HA ASN 9 HA ASN 9 -21.212 -0.816 8.345 46 HB3 ASN 9 2HB ASN 9 -22.308 -3.580 8.994 47 HD21 ASN 9 1HD2 ASN 9 -19.448 -4.507 8.791 48 HD22 ASN 9 2HD2 ASN 9 -19.049 -4.397 7.117 49 H PHE 10 H PHE 10 -22.292 -0.787 6.283 50 HA PHE 10 HA PHE 10 -25.065 -1.712 6.108 51 HB3 PHE 10 2HB PHE 10 -25.357 0.501 7.055 52 HD1 PHE 10 2HD PHE 10 -23.288 1.795 7.580 53 HD2 PHE 10 1HD PHE 10 -24.931 1.710 3.589 54 HE1 PHE 10 2HE PHE 10 -21.979 3.822 6.983 55 HE2 PHE 10 1HE PHE 10 -23.576 3.670 2.986 56 HZ PHE 10 HZ PHE 10 -22.084 4.736 4.691 57 H VAL 11 H VAL 11 -26.010 -1.711 4.017 58 HA VAL 11 HA VAL 11 -24.719 -0.595 1.722 59 HB VAL 11 HB VAL 11 -23.355 -2.615 1.845 60 HG11 VAL 11 1HG1 VAL 11 -24.229 -4.868 1.706 61 HG12 VAL 11 2HG1 VAL 11 -24.903 -4.072 3.131 62 HG13 VAL 11 3HG1 VAL 11 -25.903 -4.277 1.685 63 HG21 VAL 11 3HG2 VAL 11 -25.394 -2.948 -0.391 64 HG22 VAL 11 1HG2 VAL 11 -24.012 -1.821 -0.408 65 HG23 VAL 11 2HG2 VAL 11 -23.752 -3.574 -0.330 66 H SER 12 H SER 12 -26.187 -0.397 -0.040 67 HA SER 12 HA SER 12 -28.488 -2.024 -0.289 68 HB3 SER 12 2HB SER 12 -29.870 -0.657 0.884 69 HG SER 12 HG SER 12 -28.675 0.804 1.809 70 HA PRO 13 HA PRO 13 -27.568 -0.764 -4.558 71 HB3 PRO 13 2HB PRO 13 -29.207 -2.007 -5.509 72 HG3 PRO 13 2HG PRO 13 -31.127 -2.600 -4.236 73 HD3 PRO 13 2HD PRO 13 -29.434 -2.906 -2.652 74 H ASN 14 H ASN 14 -26.765 1.334 -3.789 75 HA ASN 14 HA ASN 14 -28.509 3.553 -4.666 76 HB3 ASN 14 2HB ASN 14 -29.211 2.905 -2.373 77 HD21 ASN 14 1HD2 ASN 14 -27.835 5.493 -0.796 78 HD22 ASN 14 2HD2 ASN 14 -26.559 4.687 0.074 79 H LEU 15 H LEU 15 -25.658 2.477 -5.146 80 HA LEU 15 HA LEU 15 -24.046 4.714 -4.218 81 HB3 LEU 15 2HB LEU 15 -23.387 2.452 -6.093 82 HG LEU 15 HG LEU 15 -21.738 4.417 -5.946 83 HD11 LEU 15 1HD1 LEU 15 -22.062 4.904 -3.477 84 HD12 LEU 15 2HD1 LEU 15 -20.378 4.662 -3.942 85 HD13 LEU 15 3HD1 LEU 15 -21.274 3.363 -3.119 86 HD21 LEU 15 3HD2 LEU 15 -21.004 2.197 -6.636 87 HD22 LEU 15 1HD2 LEU 15 -20.790 1.707 -4.942 88 HD23 LEU 15 2HD2 LEU 15 -19.767 2.978 -5.648 89 H GLN 16 H GLN 16 -25.259 6.334 -5.100 90 HA GLN 16 HA GLN 16 -25.464 6.805 -7.985 91 HB3 GLN 16 2HB GLN 16 -27.394 7.067 -6.596 92 HG3 GLN 16 2HG GLN 16 -25.675 8.339 -4.663 93 HE21 GLN 16 1HE2 GLN 16 -25.732 10.485 -6.433 94 HE22 GLN 16 2HE2 GLN 16 -26.615 11.790 -5.646 95 H LEU 17 H LEU 17 -22.715 6.959 -6.708 96 HA LEU 17 HA LEU 17 -21.752 9.425 -7.590 97 HB3 LEU 17 2HB LEU 17 -22.703 10.209 -5.443 98 HG LEU 17 HG LEU 17 -21.841 9.823 -3.338 99 HD11 LEU 17 1HD1 LEU 17 -22.388 7.020 -4.340 100 HD12 LEU 17 2HD1 LEU 17 -23.607 8.237 -3.896 101 HD13 LEU 17 3HD1 LEU 17 -22.519 7.612 -2.673 102 HD21 LEU 17 3HD2 LEU 17 -19.457 9.337 -4.063 103 HD22 LEU 17 1HD2 LEU 17 -19.937 7.623 -4.132 104 HD23 LEU 17 2HD2 LEU 17 -20.066 8.529 -2.621 105 H LYS 18 H LYS 18 -19.698 9.016 -8.056 106 HA LYS 18 HA LYS 18 -18.520 6.359 -7.358 107 HB3 LYS 18 2HB LYS 18 -16.749 8.001 -9.004 108 HG3 LYS 18 2HG LYS 18 -17.380 6.061 -10.647 109 HD3 LYS 18 2HD LYS 18 -16.109 5.538 -7.935 110 HE3 LYS 18 2HE LYS 18 -15.450 3.956 -10.411 111 HZ1 LYS 18 3HZ LYS 18 -14.299 3.641 -8.278 112 HZ2 LYS 18 1HZ LYS 18 -15.080 2.287 -8.761 113 HZ3 LYS 18 2HZ LYS 18 -15.747 3.219 -7.575 114 H GLN 19 H GLN 19 -16.776 6.089 -6.012 115 HA GLN 19 HA GLN 19 -16.074 8.478 -4.392 116 HB3 GLN 19 2HB GLN 19 -17.874 6.795 -3.620 117 HG3 GLN 19 2HG GLN 19 -15.653 5.132 -2.492 118 HE21 GLN 19 1HE2 GLN 19 -17.886 5.369 -1.095 119 HE22 GLN 19 2HE2 GLN 19 -18.991 4.026 -1.407 120 H ASN 20 H ASN 20 -14.263 7.753 -2.755 121 HA ASN 20 HA ASN 20 -11.901 7.038 -4.301 122 HB3 ASN 20 2HB ASN 20 -12.011 7.347 -1.283 123 HD21 ASN 20 1HD2 ASN 20 -9.890 5.880 -3.016 124 HD22 ASN 20 2HD2 ASN 20 -8.540 6.963 -2.938 125 H VAL 21 H VAL 21 -12.510 4.868 -4.924 126 HA VAL 21 HA VAL 21 -12.584 2.819 -2.818 127 HB VAL 21 HB VAL 21 -12.181 2.155 -5.741 128 HG11 VAL 21 1HG1 VAL 21 -13.694 0.232 -5.011 129 HG12 VAL 21 2HG1 VAL 21 -12.139 0.262 -4.182 130 HG13 VAL 21 3HG1 VAL 21 -13.615 0.842 -3.365 131 HG21 VAL 21 3HG2 VAL 21 -14.667 2.072 -5.994 132 HG22 VAL 21 1HG2 VAL 21 -14.850 2.877 -4.436 133 HG23 VAL 21 2HG2 VAL 21 -14.084 3.724 -5.804 134 H LEU 22 H LEU 22 -10.862 0.995 -2.966 135 HA LEU 22 HA LEU 22 -8.145 2.217 -3.099 136 HB3 LEU 22 2HB LEU 22 -7.572 0.265 -1.551 137 HG LEU 22 HG LEU 22 -9.640 2.214 -0.457 138 HD11 LEU 22 1HD1 LEU 22 -7.620 0.532 1.095 139 HD12 LEU 22 2HD1 LEU 22 -9.328 0.118 0.911 140 HD13 LEU 22 3HD1 LEU 22 -8.872 1.610 1.747 141 HD21 LEU 22 3HD2 LEU 22 -7.666 3.413 0.440 142 HD22 LEU 22 1HD2 LEU 22 -7.631 3.370 -1.308 143 HD23 LEU 22 2HD2 LEU 22 -6.578 2.270 -0.395 144 HA PRO 23 HA PRO 23 -7.083 -0.994 -6.106 145 HB3 PRO 23 2HB PRO 23 -4.950 -0.261 -6.383 146 HG3 PRO 23 2HG PRO 23 -3.928 1.012 -4.675 147 HD3 PRO 23 2HD PRO 23 -6.104 1.942 -4.737 148 HA PRO 24 HA PRO 24 -7.848 -4.795 -4.117 149 HB3 PRO 24 2HB PRO 24 -8.240 -5.490 -6.332 150 HG3 PRO 24 2HG PRO 24 -6.579 -5.138 -8.043 151 HD3 PRO 24 2HD PRO 24 -7.247 -3.046 -7.168 152 H THR 25 H THR 25 -6.928 -7.057 -3.486 153 HA THR 25 HA THR 25 -4.129 -6.908 -2.520 154 HB THR 25 HB THR 25 -5.129 -7.647 -0.266 155 HG1 THR 25 1HG THR 25 -7.230 -7.302 0.105 156 HG21 THR 25 3HG2 THR 25 -5.544 -5.398 0.520 157 HG22 THR 25 1HG2 THR 25 -5.917 -4.835 -1.120 158 HG23 THR 25 2HG2 THR 25 -4.260 -5.318 -0.702 159 HA PRO 26 HA PRO 26 -4.287 -11.234 -3.516 160 HB3 PRO 26 2HB PRO 26 -2.017 -11.375 -3.006 161 HG3 PRO 26 2HG PRO 26 -1.130 -10.193 -1.131 162 HD3 PRO 26 2HD PRO 26 -2.318 -8.462 -2.213 163 H LYS 27 H LYS 27 -5.191 -13.270 -2.705 164 HA LYS 27 HA LYS 27 -7.478 -12.656 -1.027 165 HB3 LYS 27 2HB LYS 27 -7.851 -13.828 -3.069 166 HG3 LYS 27 2HG LYS 27 -5.975 -15.947 -1.941 167 HD3 LYS 27 2HD LYS 27 -7.727 -16.382 -4.371 168 HE3 LYS 27 2HE LYS 27 -6.483 -18.226 -2.275 169 HZ1 LYS 27 3HZ LYS 27 -8.380 -19.138 -3.590 170 HZ2 LYS 27 1HZ LYS 27 -6.943 -19.941 -3.824 171 HZ3 LYS 27 2HZ LYS 27 -7.503 -18.882 -4.948 172 H ASN 28 H ASN 28 -5.432 -12.439 0.793 173 HA ASN 28 HA ASN 28 -5.481 -14.957 2.300 174 HB3 ASN 28 2HB ASN 28 -2.981 -14.547 2.653 175 HD21 ASN 28 1HD2 ASN 28 -3.417 -14.424 -0.949 176 HD22 ASN 28 2HD2 ASN 28 -3.130 -16.125 -1.048 177 H ILE 29 H ILE 29 -4.798 -11.343 2.374 178 HA ILE 29 HA ILE 29 -5.386 -11.466 5.212 179 HB ILE 29 HB ILE 29 -3.353 -10.441 5.865 180 HG13 ILE 29 2HG1 ILE 29 -1.460 -9.892 4.464 181 HG21 ILE 29 1HG2 ILE 29 -2.531 -12.752 4.125 182 HG22 ILE 29 2HG2 ILE 29 -1.614 -12.057 5.464 183 HG23 ILE 29 3HG2 ILE 29 -3.183 -12.828 5.776 184 HD11 ILE 29 3HD1 ILE 29 -3.177 -10.023 2.006 185 HD12 ILE 29 1HD1 ILE 29 -1.435 -9.768 2.178 186 HD13 ILE 29 2HD1 ILE 29 -2.105 -11.385 2.435 187 HA PRO 30 HA PRO 30 -7.202 -7.566 4.090 188 HB3 PRO 30 2HB PRO 30 -8.098 -7.513 6.207 189 HG3 PRO 30 2HG PRO 30 -6.845 -8.166 8.111 190 HD3 PRO 30 2HD PRO 30 -6.538 -9.995 6.662 191 H LEU 31 H LEU 31 -6.741 -5.161 3.845 192 HA LEU 31 HA LEU 31 -4.215 -4.511 2.805 193 HB3 LEU 31 2HB LEU 31 -6.370 -2.697 3.947 194 HG LEU 31 HG LEU 31 -5.487 -1.110 2.183 195 HD11 LEU 31 1HD1 LEU 31 -4.079 0.108 3.635 196 HD12 LEU 31 2HD1 LEU 31 -3.654 -1.332 4.573 197 HD13 LEU 31 3HD1 LEU 31 -5.328 -0.672 4.619 198 HD21 LEU 31 3HD2 LEU 31 -2.771 -2.431 2.619 199 HD22 LEU 31 1HD2 LEU 31 -3.186 -1.090 1.567 200 HD23 LEU 31 2HD2 LEU 31 -3.787 -2.708 1.182 201 HA PRO 32 HA PRO 32 -2.815 -2.738 7.061 202 HB3 PRO 32 2HB PRO 32 -4.382 -2.062 8.500 203 HG3 PRO 32 2HG PRO 32 -6.582 -2.940 8.387 204 HD3 PRO 32 2HD PRO 32 -5.967 -2.418 6.136 205 H ALA 33 H ALA 33 -3.113 -5.811 5.939 206 HA ALA 33 HA ALA 33 -0.940 -6.835 7.716 207 HB1 ALA 33 1HB ALA 33 -3.139 -8.332 6.331 208 HB2 ALA 33 2HB ALA 33 -1.717 -9.081 7.090 209 HB3 ALA 33 3HB ALA 33 -2.895 -8.190 8.085 210 H PHE 34 H PHE 34 -2.299 -6.633 4.405 211 HA PHE 34 HA PHE 34 -0.191 -7.951 3.146 212 HB3 PHE 34 2HB PHE 34 -1.973 -5.764 2.013 213 HD1 PHE 34 1HD PHE 34 0.184 -8.772 1.198 214 HD2 PHE 34 2HD PHE 34 -1.801 -5.240 -0.333 215 HE1 PHE 34 1HE PHE 34 1.520 -8.874 -0.867 216 HE2 PHE 34 2HE PHE 34 -0.602 -5.475 -2.440 217 HZ PHE 34 HZ PHE 34 1.166 -7.202 -2.687 218 H GLY 35 H GLY 35 0.111 -5.060 4.724 219 HA2 GLY 35 1HA GLY 35 2.554 -4.251 3.209 220 HA3 GLY 35 2HA GLY 35 1.586 -3.180 4.194 221 H GLN 36 H GLN 36 1.195 -4.120 6.542 222 HA GLN 36 HA GLN 36 3.572 -3.605 7.777 223 HB3 GLN 36 2HB GLN 36 2.661 -4.162 9.879 224 HG3 GLN 36 2HG GLN 36 0.189 -3.511 8.263 225 HE21 GLN 36 1HE2 GLN 36 -0.797 -1.437 9.507 226 HE22 GLN 36 2HE2 GLN 36 -0.974 -1.680 11.237 227 H ARG 37 H ARG 37 2.469 -6.899 7.002 228 HA ARG 37 HA ARG 37 4.937 -7.974 8.313 229 HB3 ARG 37 2HB ARG 37 3.621 -10.075 8.477 230 HG3 ARG 37 2HG ARG 37 2.050 -7.846 9.798 231 HD3 ARG 37 2HD ARG 37 3.167 -10.555 10.620 232 HE ARG 37 HE ARG 37 1.526 -9.273 12.617 233 HH11 ARG 37 1HH1 ARG 37 4.912 -9.326 11.434 234 HH12 ARG 37 2HH1 ARG 37 5.577 -9.122 13.020 235 HH21 ARG 37 1HH2 ARG 37 2.438 -8.909 14.661 236 HH22 ARG 37 2HH2 ARG 37 4.147 -8.673 14.846 237 H ILE 38 H ILE 38 4.122 -7.095 5.335 238 HA ILE 38 HA ILE 38 5.350 -9.497 4.020 239 HB ILE 38 HB ILE 38 3.249 -7.639 2.890 240 HG13 ILE 38 2HG1 ILE 38 1.574 -9.326 3.127 241 HG21 ILE 38 1HG2 ILE 38 4.432 -10.218 1.809 242 HG22 ILE 38 2HG2 ILE 38 3.003 -9.404 1.130 243 HG23 ILE 38 3HG2 ILE 38 4.572 -8.586 1.131 244 HD11 ILE 38 3HD1 ILE 38 3.583 -11.022 4.666 245 HD12 ILE 38 1HD1 ILE 38 1.845 -11.326 4.525 246 HD13 ILE 38 2HD1 ILE 38 2.871 -11.427 3.086 247 H ILE 39 H ILE 39 4.874 -5.970 3.963 248 HA ILE 39 HA ILE 39 7.209 -5.553 2.198 249 HB ILE 39 HB ILE 39 5.029 -3.623 3.094 250 HG13 ILE 39 2HG1 ILE 39 3.821 -3.982 1.039 251 HG21 ILE 39 1HG2 ILE 39 5.607 -2.406 0.981 252 HG22 ILE 39 2HG2 ILE 39 6.930 -2.454 2.150 253 HG23 ILE 39 3HG2 ILE 39 6.967 -3.531 0.756 254 HD11 ILE 39 3HD1 ILE 39 4.142 -5.976 -0.371 255 HD12 ILE 39 1HD1 ILE 39 5.533 -4.890 -0.520 256 HD13 ILE 39 2HD1 ILE 39 5.651 -6.358 0.481 257 H GLY 40 H GLY 40 6.387 -5.678 5.482 258 HA2 GLY 40 1HA GLY 40 7.588 -5.185 7.373 259 HA3 GLY 40 2HA GLY 40 8.956 -4.821 6.303 260 H TRP 41 H TRP 41 6.443 -2.849 5.460 261 HA TRP 41 HA TRP 41 7.868 -0.523 6.060 262 HB3 TRP 41 2HB TRP 41 6.468 -1.012 4.063 263 HD1 TRP 41 HD TRP 41 4.314 -1.831 6.859 264 HE1 TRP 41 1HE TRP 41 1.833 -1.722 6.361 265 HE3 TRP 41 3HE TRP 41 4.583 0.314 2.253 266 HZ2 TRP 41 2HZ TRP 41 0.125 -0.881 4.156 267 HZ3 TRP 41 3HZ TRP 41 2.532 0.647 0.941 268 HH2 TRP 41 HH TRP 41 0.295 0.117 1.888 269 H GLY 42 H GLY 42 6.926 -1.843 8.542 270 HA2 GLY 42 1HA GLY 42 5.709 -1.622 10.441 271 HA3 GLY 42 2HA GLY 42 6.125 0.102 10.357 272 H THR 43 H THR 43 4.490 1.472 10.025 273 HA THR 43 HA THR 43 2.648 0.998 7.967 274 HB THR 43 HB THR 43 1.516 -0.417 9.681 275 HG1 THR 43 1HG THR 43 -0.578 0.962 9.605 276 HG21 THR 43 3HG2 THR 43 2.105 0.924 11.656 277 HG22 THR 43 1HG2 THR 43 0.457 0.344 11.579 278 HG23 THR 43 2HG2 THR 43 0.811 2.061 11.212 279 H GLY 44 H GLY 44 4.383 2.982 9.366 280 HA2 GLY 44 1HA GLY 44 2.575 5.414 9.279 281 HA3 GLY 44 2HA GLY 44 3.502 4.946 10.693 282 H ALA 45 H ALA 45 4.350 5.332 7.233 283 HA ALA 45 HA ALA 45 5.805 6.637 6.097 284 HB1 ALA 45 1HB ALA 45 6.388 8.826 6.804 285 HB2 ALA 45 2HB ALA 45 4.725 8.550 7.353 286 HB3 ALA 45 3HB ALA 45 6.064 8.476 8.497 287 H GLU 46 H GLU 46 7.051 6.770 9.427 288 HA GLU 46 HA GLU 46 9.843 6.382 9.021 289 HB3 GLU 46 2HB GLU 46 9.193 5.202 11.472 290 HG3 GLU 46 2HG GLU 46 9.155 7.768 12.185 291 H GLY 47 H GLY 47 7.359 3.996 9.984 292 HA2 GLY 47 1HA GLY 47 8.649 1.644 9.843 293 HA3 GLY 47 2HA GLY 47 7.020 1.847 9.237 294 H ALA 48 H ALA 48 7.459 3.430 6.967 295 HA ALA 48 HA ALA 48 8.322 1.436 5.043 296 HB1 ALA 48 1HB ALA 48 7.364 4.309 4.713 297 HB2 ALA 48 2HB ALA 48 7.657 3.169 3.387 298 HB3 ALA 48 3HB ALA 48 6.373 2.848 4.566 299 H ARG 49 H ARG 49 9.692 4.550 6.291 300 HA ARG 49 HA ARG 49 11.701 4.827 4.287 301 HB3 ARG 49 2HB ARG 49 11.816 5.693 7.222 302 HG3 ARG 49 2HG ARG 49 13.017 7.695 5.990 303 HD3 ARG 49 2HD ARG 49 14.470 5.090 6.584 304 HE ARG 49 HE ARG 49 15.703 7.171 5.348 305 HH11 ARG 49 1HH1 ARG 49 16.025 5.599 8.532 306 HH12 ARG 49 2HH1 ARG 49 17.471 6.407 8.957 307 HH21 ARG 49 1HH2 ARG 49 17.754 8.060 5.807 308 HH22 ARG 49 2HH2 ARG 49 18.538 7.772 7.334 309 H GLN 50 H GLN 50 11.702 3.019 7.401 310 HA GLN 50 HA GLN 50 14.515 2.447 7.209 311 HB3 GLN 50 2HB GLN 50 14.190 1.224 9.261 312 HG3 GLN 50 2HG GLN 50 13.089 2.733 10.736 313 HE21 GLN 50 1HE2 GLN 50 13.093 5.465 10.603 314 HE22 GLN 50 2HE2 GLN 50 14.788 5.883 10.428 315 H ARG 51 H ARG 51 11.916 1.097 5.536 316 HA ARG 51 HA ARG 51 13.688 -1.232 4.969 317 HB3 ARG 51 2HB ARG 51 11.581 -2.321 3.947 318 HG3 ARG 51 2HG ARG 51 10.733 -3.184 6.068 319 HD3 ARG 51 2HD ARG 51 13.756 -2.956 6.371 320 HE ARG 51 HE ARG 51 12.479 -5.531 6.472 321 HH11 ARG 51 1HH1 ARG 51 13.531 -2.769 8.508 322 HH12 ARG 51 2HH1 ARG 51 13.845 -3.770 9.857 323 HH21 ARG 51 1HH2 ARG 51 12.352 -6.692 8.518 324 HH22 ARG 51 2HH2 ARG 51 12.955 -5.922 9.938 325 H LEU 52 H LEU 52 12.209 1.569 3.644 326 HA LEU 52 HA LEU 52 12.264 0.981 0.879 327 HB3 LEU 52 2HB LEU 52 12.522 3.469 2.597 328 HG LEU 52 HG LEU 52 13.557 4.087 0.396 329 HD11 LEU 52 1HD1 LEU 52 12.203 4.117 -1.613 330 HD12 LEU 52 2HD1 LEU 52 10.846 3.427 -0.705 331 HD13 LEU 52 3HD1 LEU 52 12.300 2.451 -1.014 332 HD21 LEU 52 3HD2 LEU 52 12.101 6.016 -0.064 333 HD22 LEU 52 1HD2 LEU 52 12.352 5.777 1.667 334 HD23 LEU 52 2HD2 LEU 52 10.810 5.280 0.912 335 H GLU 53 H GLU 53 14.650 2.819 2.874 336 HA GLU 53 HA GLU 53 16.007 3.510 0.447 337 HB3 GLU 53 2HB GLU 53 17.261 5.006 1.744 338 HG3 GLU 53 2HG GLU 53 15.221 4.964 3.877 339 H ASN 54 H ASN 54 16.212 0.817 2.140 340 HA ASN 54 HA ASN 54 18.999 0.177 1.571 341 HB3 ASN 54 2HB ASN 54 19.208 0.899 3.736 342 HD21 ASN 54 1HD2 ASN 54 16.510 -1.163 4.819 343 HD22 ASN 54 2HD2 ASN 54 15.511 0.157 5.350 344 H ILE 55 H ILE 55 16.237 -0.631 0.544 345 HA ILE 55 HA ILE 55 15.546 -3.265 1.241 346 HB ILE 55 HB ILE 55 14.383 -1.413 -0.248 347 HG13 ILE 55 2HG1 ILE 55 14.230 -4.393 -0.683 348 HG21 ILE 55 1HG2 ILE 55 14.686 -1.645 -2.631 349 HG22 ILE 55 2HG2 ILE 55 16.272 -1.307 -1.914 350 HG23 ILE 55 3HG2 ILE 55 15.834 -2.949 -2.444 351 HD11 ILE 55 3HD1 ILE 55 13.112 -3.433 1.314 352 HD12 ILE 55 1HD1 ILE 55 12.208 -2.321 0.256 353 HD13 ILE 55 2HD1 ILE 55 11.940 -4.071 0.144 354 H GLN 56 H GLN 56 15.893 -5.229 -0.232 355 HA GLN 56 HA GLN 56 18.597 -5.275 -1.479 356 HB3 GLN 56 2HB GLN 56 18.708 -7.642 -0.412 357 HG3 GLN 56 2HG GLN 56 19.354 -5.011 0.645 358 HE21 GLN 56 1HE2 GLN 56 17.859 -4.359 2.461 359 HE22 GLN 56 2HE2 GLN 56 17.538 -5.520 3.724 360 HA PRO 57 HA PRO 57 16.621 -7.604 -4.774 361 HB3 PRO 57 2HB PRO 57 18.668 -7.885 -5.793 362 HG3 PRO 57 2HG PRO 57 20.654 -8.258 -4.519 363 HD3 PRO 57 2HD PRO 57 19.636 -6.302 -3.637 364 H ALA 58 H ALA 58 17.673 -9.248 -1.786 365 HA ALA 58 HA ALA 58 16.024 -11.600 -2.313 366 HB1 ALA 58 1HB ALA 58 17.430 -10.536 0.169 367 HB2 ALA 58 2HB ALA 58 16.563 -12.079 0.110 368 HB3 ALA 58 3HB ALA 58 17.980 -11.814 -0.935 369 H ASP 59 H ASP 59 15.452 -8.381 -0.958 370 HA ASP 59 HA ASP 59 13.254 -9.214 0.714 371 HB3 ASP 59 2HB ASP 59 12.888 -6.538 0.459 372 H VAL 60 H VAL 60 13.485 -8.537 -2.662 373 HA VAL 60 HA VAL 60 10.576 -8.123 -2.952 374 HB VAL 60 HB VAL 60 11.861 -6.926 -4.477 375 HG11 VAL 60 1HG1 VAL 60 13.346 -9.463 -5.243 376 HG12 VAL 60 2HG1 VAL 60 13.333 -8.001 -6.196 377 HG13 VAL 60 3HG1 VAL 60 14.007 -7.945 -4.562 378 HG21 VAL 60 3HG2 VAL 60 10.843 -9.289 -6.096 379 HG22 VAL 60 1HG2 VAL 60 9.808 -8.061 -5.337 380 HG23 VAL 60 2HG2 VAL 60 10.973 -7.585 -6.581 381 H SER 61 H SER 61 12.992 -10.694 -3.747 382 HA SER 61 HA SER 61 10.937 -12.639 -4.273 383 HB3 SER 61 2HB SER 61 12.812 -14.114 -4.748 384 HG SER 61 HG SER 61 13.868 -12.220 -6.093 385 H MET 62 H MET 62 10.713 -11.553 -1.717 386 HA MET 62 HA MET 62 10.375 -14.099 -0.322 387 HB3 MET 62 2HB MET 62 11.872 -12.834 1.024 388 HG3 MET 62 2HG MET 62 9.660 -10.785 1.406 389 HE1 MET 62 3HE MET 62 9.933 -11.370 4.028 390 HE2 MET 62 1HE MET 62 11.222 -12.564 3.724 391 HE3 MET 62 2HE MET 62 11.477 -11.259 4.915 392 H ILE 63 H ILE 63 9.025 -10.895 -1.307 393 HA ILE 63 HA ILE 63 6.487 -11.137 -0.129 394 HB ILE 63 HB ILE 63 7.565 -9.585 -2.533 395 HG13 ILE 63 2HG1 ILE 63 8.509 -9.131 -0.168 396 HG21 ILE 63 1HG2 ILE 63 5.569 -8.096 -2.290 397 HG22 ILE 63 2HG2 ILE 63 5.168 -9.714 -2.823 398 HG23 ILE 63 3HG2 ILE 63 4.882 -9.260 -1.134 399 HD11 ILE 63 3HD1 ILE 63 8.505 -6.742 -0.371 400 HD12 ILE 63 1HD1 ILE 63 8.680 -7.450 -1.986 401 HD13 ILE 63 2HD1 ILE 63 7.125 -6.764 -1.472 402 H LYS 64 H LYS 64 7.723 -12.060 -3.334 403 HA LYS 64 HA LYS 64 5.297 -12.847 -4.557 404 HB3 LYS 64 2HB LYS 64 6.769 -14.362 -5.918 405 HG3 LYS 64 2HG LYS 64 7.094 -11.467 -5.574 406 HD3 LYS 64 2HD LYS 64 9.463 -12.141 -5.508 407 HE3 LYS 64 2HE LYS 64 8.821 -13.196 -8.286 408 HZ1 LYS 64 3HZ LYS 64 10.735 -11.870 -8.535 409 HZ2 LYS 64 1HZ LYS 64 11.234 -13.432 -8.492 410 HZ3 LYS 64 2HZ LYS 64 11.489 -12.498 -7.183 411 H LYS 65 H LYS 65 7.156 -14.543 -2.083 412 HA LYS 65 HA LYS 65 5.799 -17.111 -2.536 413 HB3 LYS 65 2HB LYS 65 7.052 -17.706 -0.426 414 HG3 LYS 65 2HG LYS 65 8.029 -17.420 -3.036 415 HD3 LYS 65 2HD LYS 65 9.353 -15.385 -2.057 416 HE3 LYS 65 2HE LYS 65 11.522 -16.112 -1.014 417 HZ1 LYS 65 3HZ LYS 65 9.591 -15.674 0.549 418 HZ2 LYS 65 1HZ LYS 65 10.843 -16.595 1.131 419 HZ3 LYS 65 2HZ LYS 65 9.453 -17.303 0.698 420 H GLN 66 H GLN 66 4.942 -14.142 -1.031 421 HA GLN 66 HA GLN 66 2.937 -15.524 0.655 422 HB3 GLN 66 2HB GLN 66 2.656 -13.225 1.596 423 HG3 GLN 66 2HG GLN 66 4.042 -15.127 2.646 424 HE21 GLN 66 1HE2 GLN 66 6.240 -12.353 2.928 425 HE22 GLN 66 2HE2 GLN 66 7.593 -13.136 2.116 426 H GLY 67 H GLY 67 2.706 -15.784 -2.094 427 HA2 GLY 67 1HA GLY 67 0.986 -15.842 -3.483 428 HA3 GLY 67 2HA GLY 67 0.016 -15.255 -2.130 429 H THR 68 H THR 68 2.584 -13.497 -3.837 430 HA THR 68 HA THR 68 0.584 -11.460 -4.585 431 HB THR 68 HB THR 68 3.400 -11.299 -3.438 432 HG1 THR 68 1HG THR 68 1.794 -11.615 -1.929 433 HG21 THR 68 3HG2 THR 68 1.756 -9.001 -4.575 434 HG22 THR 68 1HG2 THR 68 3.414 -9.448 -4.927 435 HG23 THR 68 2HG2 THR 68 3.010 -8.795 -3.338 436 H THR 69 H THR 69 1.279 -10.057 -6.491 437 HA THR 69 HA THR 69 3.233 -11.290 -8.310 438 HB THR 69 HB THR 69 1.620 -10.666 -10.194 439 HG1 THR 69 1HG THR 69 0.019 -9.687 -8.813 440 HG21 THR 69 3HG2 THR 69 0.663 -12.845 -10.251 441 HG22 THR 69 1HG2 THR 69 0.873 -13.059 -8.487 442 HG23 THR 69 2HG2 THR 69 2.285 -12.990 -9.567 443 H LEU 70 H LEU 70 3.752 -9.660 -10.089 444 HA LEU 70 HA LEU 70 4.694 -7.290 -9.069 445 HB3 LEU 70 2HB LEU 70 3.607 -7.664 -11.909 446 HG LEU 70 HG LEU 70 6.121 -6.793 -12.044 447 HD11 LEU 70 1HD1 LEU 70 3.710 -5.211 -12.494 448 HD12 LEU 70 2HD1 LEU 70 4.686 -6.288 -13.565 449 HD13 LEU 70 3HD1 LEU 70 5.384 -4.782 -13.017 450 HD21 LEU 70 3HD2 LEU 70 5.043 -4.811 -10.069 451 HD22 LEU 70 1HD2 LEU 70 6.590 -4.764 -10.934 452 HD23 LEU 70 2HD2 LEU 70 6.337 -5.993 -9.714 453 H GLU 71 H GLU 71 1.802 -7.922 -10.855 454 HA GLU 71 HA GLU 71 1.048 -5.505 -11.413 455 HB3 GLU 71 2HB GLU 71 -1.408 -7.084 -10.763 456 HG3 GLU 71 2HG GLU 71 0.107 -6.668 -13.348 457 H MET 72 H MET 72 0.683 -6.974 -8.382 458 HA MET 72 HA MET 72 -1.325 -5.228 -7.116 459 HB3 MET 72 2HB MET 72 -0.092 -6.666 -5.098 460 HG3 MET 72 2HG MET 72 -2.579 -6.695 -6.195 461 HE1 MET 72 3HE MET 72 -2.238 -10.292 -5.346 462 HE2 MET 72 1HE MET 72 -1.753 -11.153 -6.834 463 HE3 MET 72 2HE MET 72 -0.588 -10.112 -5.978 464 H ILE 73 H ILE 73 2.204 -5.421 -7.388 465 HA ILE 73 HA ILE 73 2.754 -3.528 -5.225 466 HB ILE 73 HB ILE 73 4.458 -4.572 -7.539 467 HG13 ILE 73 2HG1 ILE 73 5.466 -6.089 -5.761 468 HG21 ILE 73 1HG2 ILE 73 6.397 -3.914 -6.460 469 HG22 ILE 73 2HG2 ILE 73 5.344 -2.505 -6.392 470 HG23 ILE 73 3HG2 ILE 73 5.582 -3.519 -4.953 471 HD11 ILE 73 3HD1 ILE 73 4.294 -5.083 -3.725 472 HD12 ILE 73 1HD1 ILE 73 2.774 -5.765 -4.342 473 HD13 ILE 73 2HD1 ILE 73 4.118 -6.828 -3.910 474 H THR 74 H THR 74 2.540 -3.449 -8.812 475 HA THR 74 HA THR 74 3.180 -0.660 -9.061 476 HB THR 74 HB THR 74 1.867 -1.088 -11.309 477 HG1 THR 74 1HG THR 74 1.646 -3.207 -11.819 478 HG21 THR 74 3HG2 THR 74 4.391 -2.627 -10.587 479 HG22 THR 74 1HG2 THR 74 4.311 -0.954 -11.170 480 HG23 THR 74 2HG2 THR 74 3.834 -2.283 -12.239 481 H ALA 75 H ALA 75 0.034 -2.361 -8.597 482 HA ALA 75 HA ALA 75 -1.480 0.017 -9.033 483 HB1 ALA 75 1HB ALA 75 -2.468 -2.186 -9.174 484 HB2 ALA 75 2HB ALA 75 -2.260 -2.435 -7.416 485 HB3 ALA 75 3HB ALA 75 -3.348 -1.164 -8.031 486 H TRP 76 H TRP 76 -0.321 -1.410 -5.860 487 HA TRP 76 HA TRP 76 -1.621 0.741 -4.401 488 HB3 TRP 76 2HB TRP 76 -0.039 0.026 -2.582 489 HD1 TRP 76 HD TRP 76 -1.292 -3.303 -3.875 490 HE1 TRP 76 1HE TRP 76 -3.564 -3.831 -2.891 491 HE3 TRP 76 3HE TRP 76 -2.169 1.113 -1.404 492 HZ2 TRP 76 2HZ TRP 76 -5.487 -2.582 -1.149 493 HZ3 TRP 76 3HZ TRP 76 -4.260 1.417 -0.148 494 HH2 TRP 76 HH TRP 76 -5.939 -0.427 -0.034 495 H GLN 77 H GLN 77 1.518 0.425 -6.031 496 HA GLN 77 HA GLN 77 2.778 2.637 -4.714 497 HB3 GLN 77 2HB GLN 77 3.058 1.531 -7.542 498 HG3 GLN 77 2HG GLN 77 5.466 2.673 -6.427 499 HE21 GLN 77 1HE2 GLN 77 6.658 2.933 -8.250 500 HE22 GLN 77 2HE2 GLN 77 6.047 3.418 -9.803 501 H ASP 78 H ASP 78 0.980 2.417 -7.808 502 HA ASP 78 HA ASP 78 1.043 5.166 -8.341 503 HB3 ASP 78 2HB ASP 78 -1.213 3.379 -9.316 504 H PHE 79 H PHE 79 -1.243 3.358 -6.427 505 HA PHE 79 HA PHE 79 -3.259 5.375 -6.108 506 HB3 PHE 79 2HB PHE 79 -2.272 3.352 -4.076 507 HD1 PHE 79 1HD PHE 79 -5.766 4.203 -4.963 508 HD2 PHE 79 2HD PHE 79 -2.570 4.909 -2.158 509 HE1 PHE 79 1HE PHE 79 -7.356 5.265 -3.417 510 HE2 PHE 79 2HE PHE 79 -4.123 6.107 -0.672 511 HZ PHE 79 HZ PHE 79 -6.554 6.251 -1.255 512 H TYR 80 H TYR 80 -0.239 4.839 -4.164 513 HA TYR 80 HA TYR 80 -0.846 7.142 -2.539 514 HB3 TYR 80 2HB TYR 80 1.532 6.625 -1.634 515 HD1 TYR 80 1HD TYR 80 -1.072 6.690 -0.256 516 HD2 TYR 80 2HD TYR 80 1.084 3.343 -1.847 517 HE1 TYR 80 1HE TYR 80 -2.252 5.204 1.320 518 HE2 TYR 80 2HE TYR 80 -0.101 1.804 -0.290 519 HH TYR 80 HH TYR 80 -2.543 2.880 2.088 520 H GLU 81 H GLU 81 1.246 6.587 -5.341 521 HA GLU 81 HA GLU 81 2.623 9.084 -5.542 522 HB3 GLU 81 2HB GLU 81 2.548 8.627 -7.932 523 HG3 GLU 81 2HG GLU 81 4.038 6.963 -7.715 524 H GLN 82 H GLN 82 -0.645 8.228 -6.882 525 HA GLN 82 HA GLN 82 -1.012 10.931 -7.717 526 HB3 GLN 82 2HB GLN 82 -3.521 9.885 -7.847 527 HG3 GLN 82 2HG GLN 82 -2.313 10.740 -9.755 528 HE21 GLN 82 1HE2 GLN 82 -1.024 7.361 -9.186 529 HE22 GLN 82 2HE2 GLN 82 0.370 7.587 -10.174 530 H GLU 83 H GLU 83 -1.148 9.857 -4.529 531 HA GLU 83 HA GLU 83 -3.072 12.021 -3.922 532 HB3 GLU 83 2HB GLU 83 -3.539 10.215 -2.567 533 HG3 GLU 83 2HG GLU 83 -0.642 10.153 -1.691 534 H GLN 84 H GLN 84 0.389 11.619 -4.318 535 HA GLN 84 HA GLN 84 1.118 13.802 -2.547 536 HB3 GLN 84 2HB GLN 84 3.206 13.736 -4.168 537 HG3 GLN 84 2HG GLN 84 2.213 11.824 -2.099 538 HE21 GLN 84 1HE2 GLN 84 2.405 9.699 -2.511 539 HE22 GLN 84 2HE2 GLN 84 3.753 8.990 -3.347 540 H GLN 85 H GLN 85 0.249 13.637 -5.991 541 HA GLN 85 HA GLN 85 0.592 16.426 -6.565 542 HB3 GLN 85 2HB GLN 85 0.560 14.876 -8.372 543 HG3 GLN 85 2HG GLN 85 -1.894 13.881 -6.987 544 HE21 GLN 85 1HE2 GLN 85 -3.577 12.835 -7.845 545 HE22 GLN 85 2HE2 GLN 85 -4.012 12.938 -9.562 546 H ARG 86 H ARG 86 -1.559 15.191 -4.351 547 HA ARG 86 HA ARG 86 -3.184 17.693 -4.605 548 HB3 ARG 86 2HB ARG 86 -4.748 15.912 -4.956 549 HG3 ARG 86 2HG ARG 86 -3.783 14.613 -2.393 550 HD3 ARG 86 2HD ARG 86 -5.461 12.880 -2.995 551 HE ARG 86 HE ARG 86 -5.981 15.318 -1.702 552 HH11 ARG 86 1HH1 ARG 86 -7.855 12.861 -3.464 553 HH12 ARG 86 2HH1 ARG 86 -9.346 13.255 -2.636 554 HH21 ARG 86 1HH2 ARG 86 -7.927 15.687 -0.533 555 HH22 ARG 86 2HH2 ARG 86 -9.373 14.803 -0.939 556 H ASN 87 H ASN 87 -1.644 15.388 -2.345 557 HA ASN 87 HA ASN 87 -1.430 17.589 -0.395 558 HB3 ASN 87 2HB ASN 87 -3.206 16.485 0.523 559 HD21 ASN 87 1HD2 ASN 87 -0.902 13.767 -0.073 560 HD22 ASN 87 2HD2 ASN 87 -2.107 12.505 0.028 561 H GLU 88 H GLU 88 0.647 17.957 -1.120 562 HA GLU 88 HA GLU 88 2.802 16.130 -1.176 563 HB3 GLU 88 2HB GLU 88 4.008 18.354 -0.393 564 HG3 GLU 88 2HG GLU 88 3.457 19.514 -2.620 565 H ASN 89 H ASN 89 1.120 17.673 1.483 566 HA ASN 89 HA ASN 89 3.038 17.290 3.578 567 HB3 ASN 89 2HB ASN 89 0.900 17.773 5.001 568 HD21 ASN 89 1HD2 ASN 89 2.790 19.336 2.431 569 HD22 ASN 89 2HD2 ASN 89 2.612 20.910 3.170 570 H ASN 90 H ASN 90 2.041 14.669 2.068 571 HA ASN 90 HA ASN 90 1.034 13.281 4.522 572 HB3 ASN 90 2HB ASN 90 0.255 12.078 1.932 573 HD21 ASN 90 1HD2 ASN 90 -1.506 10.827 2.377 574 HD22 ASN 90 2HD2 ASN 90 -2.510 10.941 3.808 575 HA PRO 91 HA PRO 91 5.106 11.735 3.304 576 HB3 PRO 91 2HB PRO 91 6.096 12.872 5.049 577 HG3 PRO 91 2HG PRO 91 4.886 13.290 7.071 578 HD3 PRO 91 2HD PRO 91 3.601 14.072 5.306 579 H THR 92 H THR 92 2.723 10.149 5.472 580 HA THR 92 HA THR 92 3.842 7.581 5.549 581 HB THR 92 HB THR 92 0.950 8.510 5.575 582 HG1 THR 92 1HG THR 92 1.890 9.198 7.374 583 HG21 THR 92 3HG2 THR 92 2.130 5.784 6.262 584 HG22 THR 92 1HG2 THR 92 0.986 6.156 4.950 585 HG23 THR 92 2HG2 THR 92 0.468 6.316 6.638 586 H ALA 93 H ALA 93 1.618 8.955 3.068 587 HA ALA 93 HA ALA 93 1.684 6.716 1.278 588 HB1 ALA 93 1HB ALA 93 -0.009 8.471 1.174 589 HB2 ALA 93 2HB ALA 93 1.222 9.696 0.800 590 HB3 ALA 93 3HB ALA 93 0.882 8.403 -0.358 591 H LYS 94 H LYS 94 3.528 9.758 1.456 592 HA LYS 94 HA LYS 94 5.008 9.385 -0.874 593 HB3 LYS 94 2HB LYS 94 5.926 11.037 1.501 594 HG3 LYS 94 2HG LYS 94 5.898 11.372 -1.497 595 HD3 LYS 94 2HD LYS 94 5.124 13.462 -0.312 596 HE3 LYS 94 2HE LYS 94 7.799 12.959 0.947 597 HZ1 LYS 94 3HZ LYS 94 7.057 15.717 0.201 598 HZ2 LYS 94 1HZ LYS 94 8.310 14.847 -0.402 599 HZ3 LYS 94 2HZ LYS 94 8.284 15.269 1.193 600 H TYR 95 H TYR 95 5.695 7.802 2.121 601 HA TYR 95 HA TYR 95 8.431 7.096 1.085 602 HB3 TYR 95 2HB TYR 95 8.444 5.743 3.297 603 HD1 TYR 95 2HD TYR 95 10.643 6.727 2.773 604 HD2 TYR 95 1HD TYR 95 7.473 9.041 4.546 605 HE1 TYR 95 2HE TYR 95 12.275 8.471 3.403 606 HE2 TYR 95 1HE TYR 95 9.083 10.805 5.160 607 HH TYR 95 HH TYR 95 11.340 11.409 5.247 608 H ARG 96 H ARG 96 5.163 5.640 1.524 609 HA ARG 96 HA ARG 96 6.285 2.988 1.124 610 HB3 ARG 96 2HB ARG 96 4.394 3.089 2.511 611 HG3 ARG 96 2HG ARG 96 2.822 4.133 0.114 612 HD3 ARG 96 2HD ARG 96 1.458 2.650 1.415 613 HE ARG 96 HE ARG 96 2.814 3.003 3.635 614 HH11 ARG 96 1HH1 ARG 96 -0.439 4.163 2.858 615 HH12 ARG 96 2HH1 ARG 96 -0.962 4.276 4.501 616 HH21 ARG 96 1HH2 ARG 96 2.090 2.924 5.796 617 HH22 ARG 96 2HH2 ARG 96 0.490 3.472 6.216 618 H ALA 97 H ALA 97 4.651 5.345 -1.125 619 HA ALA 97 HA ALA 97 4.340 3.385 -3.157 620 HB1 ALA 97 1HB ALA 97 3.234 5.124 -3.947 621 HB2 ALA 97 2HB ALA 97 4.138 6.306 -2.986 622 HB3 ALA 97 3HB ALA 97 4.787 5.692 -4.529 623 H ARG 98 H ARG 98 6.927 5.824 -2.607 624 HA ARG 98 HA ARG 98 8.878 4.990 -4.322 625 HB3 ARG 98 2HB ARG 98 10.346 5.636 -2.045 626 HG3 ARG 98 2HG ARG 98 8.772 7.412 -3.951 627 HD3 ARG 98 2HD ARG 98 10.752 8.184 -1.801 628 HE ARG 98 HE ARG 98 11.082 9.130 -4.247 629 HH11 ARG 98 1HH1 ARG 98 9.010 10.644 -1.874 630 HH12 ARG 98 2HH1 ARG 98 9.395 12.276 -2.272 631 HH21 ARG 98 1HH2 ARG 98 11.482 11.273 -4.967 632 HH22 ARG 98 2HH2 ARG 98 10.830 12.640 -4.118 633 H LEU 99 H LEU 99 7.916 3.243 -1.400 634 HA LEU 99 HA LEU 99 10.162 1.411 -1.378 635 HB3 LEU 99 2HB LEU 99 7.445 0.807 -0.167 636 HG LEU 99 HG LEU 99 10.298 0.407 0.741 637 HD11 LEU 99 1HD1 LEU 99 9.248 -0.512 2.843 638 HD12 LEU 99 2HD1 LEU 99 7.647 -0.036 2.219 639 HD13 LEU 99 3HD1 LEU 99 8.860 1.203 2.620 640 HD21 LEU 99 3HD2 LEU 99 9.691 -1.922 1.021 641 HD22 LEU 99 1HD2 LEU 99 9.819 -1.327 -0.621 642 HD23 LEU 99 2HD2 LEU 99 8.194 -1.567 0.107 643 H MET 100 H MET 100 6.756 1.221 -2.451 644 HA MET 100 HA MET 100 6.873 -1.361 -3.581 645 HB3 MET 100 2HB MET 100 4.984 -0.534 -5.042 646 HG3 MET 100 2HG MET 100 3.413 -0.374 -3.214 647 HE1 MET 100 3HE MET 100 2.539 -2.191 -1.717 648 HE2 MET 100 1HE MET 100 3.459 -3.580 -1.107 649 HE3 MET 100 2HE MET 100 3.883 -1.923 -0.567 650 H LYS 101 H LYS 101 7.705 1.843 -5.050 651 HA LYS 101 HA LYS 101 8.210 0.948 -7.686 652 HB3 LYS 101 2HB LYS 101 9.688 3.068 -6.075 653 HG3 LYS 101 2HG LYS 101 11.085 2.390 -8.033 654 HD3 LYS 101 2HD LYS 101 9.678 3.644 -10.142 655 HE3 LYS 101 2HE LYS 101 9.475 1.303 -11.141 656 HZ1 LYS 101 3HZ LYS 101 11.815 1.156 -11.562 657 HZ2 LYS 101 1HZ LYS 101 12.184 2.183 -10.349 658 HZ3 LYS 101 2HZ LYS 101 11.326 2.703 -11.669 659 H LYS 102 H LYS 102 10.545 0.897 -4.856 660 HA LYS 102 HA LYS 102 12.688 -0.177 -6.332 661 HB3 LYS 102 2HB LYS 102 13.474 -0.984 -4.205 662 HG3 LYS 102 2HG LYS 102 12.453 1.860 -4.049 663 HD3 LYS 102 2HD LYS 102 14.052 0.515 -2.298 664 HE3 LYS 102 2HE LYS 102 15.801 1.849 -4.399 665 HZ1 LYS 102 3HZ LYS 102 16.920 0.937 -1.846 666 HZ2 LYS 102 1HZ LYS 102 16.313 2.487 -2.052 667 HZ3 LYS 102 2HZ LYS 102 17.522 1.934 -2.990 668 H ILE 103 H ILE 103 10.209 -1.875 -4.348 669 HA ILE 103 HA ILE 103 10.999 -4.530 -4.936 670 HB ILE 103 HB ILE 103 8.312 -3.250 -4.314 671 HG13 ILE 103 2HG1 ILE 103 10.383 -3.272 -2.651 672 HG21 ILE 103 1HG2 ILE 103 7.878 -5.429 -5.396 673 HG22 ILE 103 2HG2 ILE 103 8.981 -6.220 -4.254 674 HG23 ILE 103 3HG2 ILE 103 7.467 -5.472 -3.689 675 HD11 ILE 103 3HD1 ILE 103 8.159 -2.616 -1.934 676 HD12 ILE 103 1HD1 ILE 103 7.682 -4.324 -1.737 677 HD13 ILE 103 2HD1 ILE 103 8.968 -3.629 -0.734 678 H ALA 104 H ALA 104 8.693 -2.447 -6.820 679 HA ALA 104 HA ALA 104 8.118 -4.405 -8.797 680 HB1 ALA 104 1HB ALA 104 7.249 -2.483 -10.079 681 HB2 ALA 104 2HB ALA 104 6.713 -2.407 -8.390 682 HB3 ALA 104 3HB ALA 104 8.038 -1.363 -8.953 683 H ASP 105 H ASP 105 10.820 -2.231 -8.415 684 HA ASP 105 HA ASP 105 11.678 -2.301 -11.192 685 HB3 ASP 105 2HB ASP 105 13.398 -1.454 -8.824 686 H LEU 106 H LEU 106 12.515 -3.856 -8.168 687 HA LEU 106 HA LEU 106 14.688 -5.503 -9.275 688 HB3 LEU 106 2HB LEU 106 14.656 -6.492 -7.004 689 HG LEU 106 HG LEU 106 14.663 -3.451 -6.999 690 HD11 LEU 106 1HD1 LEU 106 14.058 -4.146 -4.770 691 HD12 LEU 106 2HD1 LEU 106 15.756 -3.663 -4.768 692 HD13 LEU 106 3HD1 LEU 106 15.336 -5.387 -4.751 693 HD21 LEU 106 3HD2 LEU 106 17.074 -3.739 -6.823 694 HD22 LEU 106 1HD2 LEU 106 16.450 -4.532 -8.270 695 HD23 LEU 106 2HD2 LEU 106 16.894 -5.513 -6.858 696 H TRP 107 H TRP 107 11.393 -5.540 -9.679 697 HA TRP 107 HA TRP 107 10.867 -8.236 -9.093 698 HB3 TRP 107 2HB TRP 107 9.269 -6.586 -11.100 699 HD1 TRP 107 HD TRP 107 7.545 -8.473 -11.815 700 HE1 TRP 107 1HE TRP 107 6.083 -10.164 -10.542 701 HE3 TRP 107 3HE TRP 107 8.615 -6.982 -7.096 702 HZ2 TRP 107 2HZ TRP 107 5.240 -10.564 -7.811 703 HZ3 TRP 107 3HZ TRP 107 7.221 -7.807 -5.191 704 HH2 TRP 107 HH TRP 107 5.497 -9.525 -5.556 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -7.624 2.428 15.288 2 HA2 GLY 1 1HA GLY 1 -7.553 0.290 14.177 3 HA3 GLY 1 2HA GLY 1 -8.601 0.164 15.608 4 H THR 2 H THR 2 -8.478 -0.747 12.423 5 HA THR 2 HA THR 2 -11.393 -0.796 12.057 6 HB THR 2 HB THR 2 -11.020 0.113 9.689 7 HG1 THR 2 1HG THR 2 -9.155 0.738 9.205 8 HG21 THR 2 3HG2 THR 2 -10.638 2.141 11.914 9 HG22 THR 2 1HG2 THR 2 -12.207 1.424 11.435 10 HG23 THR 2 2HG2 THR 2 -11.277 2.432 10.305 11 H ASP 3 H ASP 3 -11.181 -3.036 12.266 12 HA ASP 3 HA ASP 3 -10.171 -4.328 9.823 13 HB3 ASP 3 2HB ASP 3 -8.385 -4.788 11.307 14 H PHE 4 H PHE 4 -11.676 -5.586 8.925 15 HA PHE 4 HA PHE 4 -13.979 -6.602 10.451 16 HB3 PHE 4 2HB PHE 4 -15.516 -5.652 8.699 17 HD1 PHE 4 1HD PHE 4 -16.263 -5.367 11.148 18 HD2 PHE 4 2HD PHE 4 -13.973 -2.455 8.937 19 HE1 PHE 4 1HE PHE 4 -17.146 -3.574 12.606 20 HE2 PHE 4 2HE PHE 4 -14.894 -0.657 10.382 21 HZ PHE 4 HZ PHE 4 -16.496 -1.204 12.194 22 H GLY 5 H GLY 5 -15.306 -7.957 8.963 23 HA2 GLY 5 1HA GLY 5 -13.759 -9.267 6.792 24 HA3 GLY 5 2HA GLY 5 -15.266 -9.843 7.471 25 H THR 6 H THR 6 -16.505 -9.925 5.549 26 HA THR 6 HA THR 6 -16.311 -7.710 3.610 27 HB THR 6 HB THR 6 -14.411 -9.026 3.225 28 HG1 THR 6 1HG THR 6 -14.778 -10.023 1.290 29 HG21 THR 6 3HG2 THR 6 -14.744 -10.981 4.601 30 HG22 THR 6 1HG2 THR 6 -14.397 -11.498 2.966 31 HG23 THR 6 2HG2 THR 6 -16.068 -11.542 3.565 32 H THR 7 H THR 7 -18.509 -7.549 4.666 33 HA THR 7 HA THR 7 -20.401 -9.580 3.596 34 HB THR 7 HB THR 7 -19.664 -9.758 6.057 35 HG1 THR 7 1HG THR 7 -21.999 -10.109 6.596 36 HG21 THR 7 3HG2 THR 7 -19.971 -7.332 6.631 37 HG22 THR 7 1HG2 THR 7 -20.835 -8.449 7.697 38 HG23 THR 7 2HG2 THR 7 -21.725 -7.553 6.450 39 H ASN 8 H ASN 8 -19.565 -6.326 3.663 40 HA ASN 8 HA ASN 8 -22.300 -5.294 3.161 41 HB3 ASN 8 2HB ASN 8 -21.120 -4.029 4.834 42 HD21 ASN 8 1HD2 ASN 8 -19.327 -2.105 2.522 43 HD22 ASN 8 2HD2 ASN 8 -17.748 -2.560 3.164 44 H ASN 9 H ASN 9 -20.930 -7.110 1.370 45 HA ASN 9 HA ASN 9 -19.989 -5.630 -0.956 46 HB3 ASN 9 2HB ASN 9 -18.989 -7.765 -0.376 47 HD21 ASN 9 1HD2 ASN 9 -20.817 -9.820 -2.227 48 HD22 ASN 9 2HD2 ASN 9 -21.521 -10.765 -0.952 49 H PHE 10 H PHE 10 -21.953 -4.258 -1.035 50 HA PHE 10 HA PHE 10 -24.172 -5.636 -2.462 51 HB3 PHE 10 2HB PHE 10 -24.946 -5.136 -0.322 52 HD1 PHE 10 1HD PHE 10 -24.507 -1.610 -1.664 53 HD2 PHE 10 2HD PHE 10 -24.422 -4.269 1.738 54 HE1 PHE 10 1HE PHE 10 -24.269 0.322 -0.146 55 HE2 PHE 10 2HE PHE 10 -24.208 -2.322 3.247 56 HZ PHE 10 HZ PHE 10 -24.196 -0.011 2.292 57 H VAL 11 H VAL 11 -25.339 -4.327 -3.992 58 HA VAL 11 HA VAL 11 -23.555 -2.726 -5.596 59 HB VAL 11 HB VAL 11 -25.018 -4.363 -6.619 60 HG11 VAL 11 1HG1 VAL 11 -26.959 -4.338 -5.104 61 HG12 VAL 11 2HG1 VAL 11 -27.381 -2.702 -5.657 62 HG13 VAL 11 3HG1 VAL 11 -27.449 -4.073 -6.778 63 HG21 VAL 11 3HG2 VAL 11 -25.857 -1.552 -7.420 64 HG22 VAL 11 1HG2 VAL 11 -24.361 -2.372 -7.924 65 HG23 VAL 11 2HG2 VAL 11 -25.932 -3.016 -8.407 66 H SER 12 H SER 12 -23.717 -0.582 -5.968 67 HA SER 12 HA SER 12 -25.831 1.041 -4.780 68 HB3 SER 12 2HB SER 12 -24.068 2.755 -4.116 69 HG SER 12 HG SER 12 -23.227 1.267 -2.325 70 HA PRO 13 HA PRO 13 -25.161 2.830 -8.858 71 HB3 PRO 13 2HB PRO 13 -27.283 3.678 -8.578 72 HG3 PRO 13 2HG PRO 13 -27.931 4.778 -6.539 73 HD3 PRO 13 2HD PRO 13 -27.266 2.547 -6.046 74 H ASN 14 H ASN 14 -24.610 5.059 -9.798 75 HA ASN 14 HA ASN 14 -21.973 6.022 -9.266 76 HB3 ASN 14 2HB ASN 14 -22.820 7.990 -10.631 77 HD21 ASN 14 1HD2 ASN 14 -24.139 4.697 -11.784 78 HD22 ASN 14 2HD2 ASN 14 -23.276 4.949 -13.267 79 H LEU 15 H LEU 15 -21.791 6.606 -7.160 80 HA LEU 15 HA LEU 15 -22.574 9.332 -6.611 81 HB3 LEU 15 2HB LEU 15 -23.506 7.229 -4.619 82 HG LEU 15 HG LEU 15 -23.069 10.113 -4.370 83 HD11 LEU 15 1HD1 LEU 15 -25.944 9.195 -3.957 84 HD12 LEU 15 2HD1 LEU 15 -25.369 10.311 -5.220 85 HD13 LEU 15 3HD1 LEU 15 -25.266 10.779 -3.519 86 HD21 LEU 15 3HD2 LEU 15 -24.216 8.056 -2.428 87 HD22 LEU 15 1HD2 LEU 15 -23.686 9.702 -2.008 88 HD23 LEU 15 2HD2 LEU 15 -22.505 8.519 -2.589 89 H GLN 16 H GLN 16 -20.235 9.315 -6.979 90 HA GLN 16 HA GLN 16 -18.509 7.843 -5.158 91 HB3 GLN 16 2HB GLN 16 -17.512 10.043 -6.978 92 HG3 GLN 16 2HG GLN 16 -15.995 8.480 -5.599 93 HE21 GLN 16 1HE2 GLN 16 -15.883 6.338 -4.841 94 HE22 GLN 16 2HE2 GLN 16 -16.466 4.954 -5.739 95 H LEU 17 H LEU 17 -20.244 9.485 -3.705 96 HA LEU 17 HA LEU 17 -18.693 11.915 -2.902 97 HB3 LEU 17 2HB LEU 17 -20.956 12.551 -1.942 98 HG LEU 17 HG LEU 17 -22.059 13.318 -3.970 99 HD11 LEU 17 1HD1 LEU 17 -20.334 14.883 -4.693 100 HD12 LEU 17 2HD1 LEU 17 -19.080 13.884 -3.933 101 HD13 LEU 17 3HD1 LEU 17 -20.320 14.669 -2.935 102 HD21 LEU 17 3HD2 LEU 17 -19.839 12.077 -5.626 103 HD22 LEU 17 1HD2 LEU 17 -21.201 13.051 -6.181 104 HD23 LEU 17 2HD2 LEU 17 -21.503 11.444 -5.526 105 H LYS 18 H LYS 18 -17.336 10.782 -1.520 106 HA LYS 18 HA LYS 18 -18.453 9.981 1.048 107 HB3 LYS 18 2HB LYS 18 -17.068 7.905 1.142 108 HG3 LYS 18 2HG LYS 18 -18.954 7.803 -1.250 109 HD3 LYS 18 2HD LYS 18 -18.123 5.656 0.738 110 HE3 LYS 18 2HE LYS 18 -19.986 5.597 -1.694 111 HZ1 LYS 18 3HZ LYS 18 -19.272 3.527 0.305 112 HZ2 LYS 18 1HZ LYS 18 -19.049 3.412 -1.299 113 HZ3 LYS 18 2HZ LYS 18 -20.565 3.403 -0.673 114 H GLN 19 H GLN 19 -16.416 9.632 2.581 115 HA GLN 19 HA GLN 19 -14.665 11.885 2.253 116 HB3 GLN 19 2HB GLN 19 -15.546 11.083 4.430 117 HG3 GLN 19 2HG GLN 19 -13.410 9.099 4.904 118 HE21 GLN 19 1HE2 GLN 19 -14.720 10.410 6.826 119 HE22 GLN 19 2HE2 GLN 19 -16.333 9.778 7.159 120 H ASN 20 H ASN 20 -12.250 11.189 2.894 121 HA ASN 20 HA ASN 20 -11.169 9.753 0.578 122 HB3 ASN 20 2HB ASN 20 -9.591 10.739 2.949 123 HD21 ASN 20 1HD2 ASN 20 -8.731 8.460 1.273 124 HD22 ASN 20 2HD2 ASN 20 -7.592 9.096 0.100 125 H VAL 21 H VAL 21 -12.195 7.734 0.975 126 HA VAL 21 HA VAL 21 -11.575 6.107 3.274 127 HB VAL 21 HB VAL 21 -12.560 5.202 0.523 128 HG11 VAL 21 1HG1 VAL 21 -11.927 3.294 1.853 129 HG12 VAL 21 2HG1 VAL 21 -12.784 3.914 3.267 130 HG13 VAL 21 3HG1 VAL 21 -13.680 3.378 1.823 131 HG21 VAL 21 3HG2 VAL 21 -14.119 6.892 1.240 132 HG22 VAL 21 1HG2 VAL 21 -14.868 5.342 1.582 133 HG23 VAL 21 2HG2 VAL 21 -14.125 6.276 2.904 134 H LEU 22 H LEU 22 -10.129 4.310 3.371 135 HA LEU 22 HA LEU 22 -7.637 4.529 1.887 136 HB3 LEU 22 2HB LEU 22 -7.145 2.372 3.188 137 HG LEU 22 HG LEU 22 -8.134 4.772 4.803 138 HD11 LEU 22 1HD1 LEU 22 -6.862 3.783 6.667 139 HD12 LEU 22 2HD1 LEU 22 -6.533 2.346 5.676 140 HD13 LEU 22 3HD1 LEU 22 -8.200 2.743 6.161 141 HD21 LEU 22 3HD2 LEU 22 -6.227 5.332 3.440 142 HD22 LEU 22 1HD2 LEU 22 -5.370 3.843 3.908 143 HD23 LEU 22 2HD2 LEU 22 -5.672 5.136 5.099 144 HA PRO 23 HA PRO 23 -8.561 1.279 -1.144 145 HB3 PRO 23 2HB PRO 23 -6.657 1.598 -2.295 146 HG3 PRO 23 2HG PRO 23 -4.805 2.603 -1.246 147 HD3 PRO 23 2HD PRO 23 -6.502 3.920 -0.305 148 HA PRO 24 HA PRO 24 -9.099 -2.511 1.094 149 HB3 PRO 24 2HB PRO 24 -10.281 -3.249 -0.710 150 HG3 PRO 24 2HG PRO 24 -9.548 -2.880 -2.946 151 HD3 PRO 24 2HD PRO 24 -9.533 -0.761 -1.966 152 H THR 25 H THR 25 -8.097 -4.878 1.452 153 HA THR 25 HA THR 25 -5.167 -4.936 1.077 154 HB THR 25 HB THR 25 -5.358 -5.902 3.627 155 HG1 THR 25 1HG THR 25 -7.193 -3.741 3.531 156 HG21 THR 25 3HG2 THR 25 -3.715 -4.272 2.858 157 HG22 THR 25 1HG2 THR 25 -4.434 -3.749 4.392 158 HG23 THR 25 2HG2 THR 25 -4.937 -3.002 2.858 159 HA PRO 26 HA PRO 26 -5.956 -9.233 0.451 160 HB3 PRO 26 2HB PRO 26 -3.765 -9.806 0.121 161 HG3 PRO 26 2HG PRO 26 -2.131 -8.461 1.041 162 HD3 PRO 26 2HD PRO 26 -3.438 -6.588 0.823 163 H LYS 27 H LYS 27 -7.160 -10.707 1.434 164 HA LYS 27 HA LYS 27 -8.305 -10.322 3.996 165 HB3 LYS 27 2HB LYS 27 -9.663 -11.063 2.230 166 HG3 LYS 27 2HG LYS 27 -7.461 -13.034 1.743 167 HD3 LYS 27 2HD LYS 27 -9.305 -14.392 0.462 168 HE3 LYS 27 2HE LYS 27 -7.868 -14.745 2.878 169 HZ1 LYS 27 3HZ LYS 27 -10.520 -15.982 3.122 170 HZ2 LYS 27 1HZ LYS 27 -10.079 -14.649 3.989 171 HZ3 LYS 27 2HZ LYS 27 -9.253 -16.068 4.169 172 H ASN 28 H ASN 28 -5.625 -10.650 4.649 173 HA ASN 28 HA ASN 28 -5.419 -13.328 5.806 174 HB3 ASN 28 2HB ASN 28 -2.944 -13.120 5.205 175 HD21 ASN 28 1HD2 ASN 28 -4.531 -12.435 2.087 176 HD22 ASN 28 2HD2 ASN 28 -4.890 -14.118 1.757 177 H ILE 29 H ILE 29 -4.389 -9.797 5.725 178 HA ILE 29 HA ILE 29 -4.343 -9.807 8.605 179 HB ILE 29 HB ILE 29 -2.147 -9.013 8.846 180 HG13 ILE 29 2HG1 ILE 29 -0.493 -8.587 7.179 181 HG21 ILE 29 1HG2 ILE 29 -1.933 -11.394 7.030 182 HG22 ILE 29 2HG2 ILE 29 -0.652 -10.777 8.094 183 HG23 ILE 29 3HG2 ILE 29 -2.189 -11.380 8.791 184 HD11 ILE 29 3HD1 ILE 29 -2.498 -9.155 4.968 185 HD12 ILE 29 1HD1 ILE 29 -0.816 -8.611 4.854 186 HD13 ILE 29 2HD1 ILE 29 -1.135 -10.234 5.395 187 HA PRO 30 HA PRO 30 -5.719 -5.657 7.473 188 HB3 PRO 30 2HB PRO 30 -6.581 -5.633 9.658 189 HG3 PRO 30 2HG PRO 30 -5.278 -6.328 11.503 190 HD3 PRO 30 2HD PRO 30 -5.130 -8.251 10.121 191 H LEU 31 H LEU 31 -4.957 -3.295 7.492 192 HA LEU 31 HA LEU 31 -2.513 -2.907 6.299 193 HB3 LEU 31 2HB LEU 31 -4.062 -0.925 7.958 194 HG LEU 31 HG LEU 31 -1.398 -0.766 6.635 195 HD11 LEU 31 1HD1 LEU 31 -2.632 -0.386 4.726 196 HD12 LEU 31 2HD1 LEU 31 -1.667 1.018 5.211 197 HD13 LEU 31 3HD1 LEU 31 -3.436 1.024 5.500 198 HD21 LEU 31 3HD2 LEU 31 -3.013 1.351 8.054 199 HD22 LEU 31 1HD2 LEU 31 -1.278 1.394 7.668 200 HD23 LEU 31 2HD2 LEU 31 -1.892 0.224 8.843 201 HA PRO 32 HA PRO 32 -0.198 -1.667 10.246 202 HB3 PRO 32 2HB PRO 32 -1.429 -0.895 11.969 203 HG3 PRO 32 2HG PRO 32 -3.632 -1.726 12.379 204 HD3 PRO 32 2HD PRO 32 -3.476 -1.087 10.089 205 H ALA 33 H ALA 33 -1.282 -4.635 9.251 206 HA ALA 33 HA ALA 33 1.260 -5.897 10.112 207 HB1 ALA 33 1HB ALA 33 -1.370 -7.096 9.264 208 HB2 ALA 33 2HB ALA 33 0.131 -8.024 9.534 209 HB3 ALA 33 3HB ALA 33 -0.666 -7.166 10.880 210 H PHE 34 H PHE 34 -0.907 -4.974 7.307 211 HA PHE 34 HA PHE 34 0.339 -6.735 5.527 212 HB3 PHE 34 2HB PHE 34 -1.174 -4.154 4.978 213 HD1 PHE 34 1HD PHE 34 -0.068 -7.469 3.414 214 HD2 PHE 34 2HD PHE 34 -1.399 -3.405 2.713 215 HE1 PHE 34 1HE PHE 34 0.375 -7.708 1.012 216 HE2 PHE 34 2HE PHE 34 -0.966 -3.676 0.323 217 HZ PHE 34 HZ PHE 34 -0.041 -5.809 -0.547 218 H GLY 35 H GLY 35 1.534 -3.667 6.610 219 HA2 GLY 35 1HA GLY 35 3.676 -3.787 4.520 220 HA3 GLY 35 2HA GLY 35 3.142 -2.328 5.314 221 H GLN 36 H GLN 36 3.069 -2.846 7.894 222 HA GLN 36 HA GLN 36 5.616 -2.550 8.766 223 HB3 GLN 36 2HB GLN 36 4.867 -2.726 10.975 224 HG3 GLN 36 2HG GLN 36 2.262 -2.141 9.564 225 HE21 GLN 36 1HE2 GLN 36 1.485 0.060 10.602 226 HE22 GLN 36 2HE2 GLN 36 1.506 0.132 12.352 227 H ARG 37 H ARG 37 4.070 -5.720 8.302 228 HA ARG 37 HA ARG 37 6.559 -7.051 9.311 229 HB3 ARG 37 2HB ARG 37 5.154 -8.799 10.274 230 HG3 ARG 37 2HG ARG 37 4.133 -6.110 11.257 231 HD3 ARG 37 2HD ARG 37 4.945 -8.562 12.852 232 HE ARG 37 HE ARG 37 4.132 -5.967 13.599 233 HH11 ARG 37 1HH1 ARG 37 3.087 -9.284 14.283 234 HH12 ARG 37 2HH1 ARG 37 2.411 -8.903 15.839 235 HH21 ARG 37 1HH2 ARG 37 3.244 -5.446 15.628 236 HH22 ARG 37 2HH2 ARG 37 2.325 -6.644 16.489 237 H ILE 38 H ILE 38 5.633 -6.286 6.572 238 HA ILE 38 HA ILE 38 5.870 -8.984 5.329 239 HB ILE 38 HB ILE 38 3.853 -6.897 4.481 240 HG13 ILE 38 2HG1 ILE 38 2.025 -8.124 5.184 241 HG21 ILE 38 1HG2 ILE 38 4.359 -9.662 3.342 242 HG22 ILE 38 2HG2 ILE 38 3.018 -8.586 2.881 243 HG23 ILE 38 3HG2 ILE 38 4.686 -8.101 2.562 244 HD11 ILE 38 3HD1 ILE 38 2.483 -10.407 4.776 245 HD12 ILE 38 1HD1 ILE 38 3.849 -10.423 5.932 246 HD13 ILE 38 2HD1 ILE 38 2.180 -10.231 6.511 247 H ILE 39 H ILE 39 5.330 -5.611 4.387 248 HA ILE 39 HA ILE 39 7.337 -5.520 2.325 249 HB ILE 39 HB ILE 39 5.652 -3.315 3.608 250 HG13 ILE 39 2HG1 ILE 39 3.933 -3.651 1.938 251 HG21 ILE 39 1HG2 ILE 39 7.228 -2.294 2.156 252 HG22 ILE 39 2HG2 ILE 39 6.966 -3.501 0.896 253 HG23 ILE 39 3HG2 ILE 39 5.702 -2.297 1.287 254 HD11 ILE 39 3HD1 ILE 39 3.773 -5.739 0.619 255 HD12 ILE 39 1HD1 ILE 39 5.046 -4.657 0.041 256 HD13 ILE 39 2HD1 ILE 39 5.466 -6.089 1.013 257 H GLY 40 H GLY 40 7.702 -5.466 5.624 258 HA2 GLY 40 1HA GLY 40 9.359 -4.788 7.049 259 HA3 GLY 40 2HA GLY 40 10.363 -4.689 5.597 260 H TRP 41 H TRP 41 7.643 -2.546 5.637 261 HA TRP 41 HA TRP 41 9.492 -0.321 5.526 262 HB3 TRP 41 2HB TRP 41 7.664 -0.739 3.895 263 HD1 TRP 41 HD TRP 41 5.979 -0.957 7.109 264 HE1 TRP 41 1HE TRP 41 3.485 -0.458 7.024 265 HE3 TRP 41 3HE TRP 41 5.620 0.697 2.252 266 HZ2 TRP 41 2HZ TRP 41 1.591 0.561 5.164 267 HZ3 TRP 41 3HZ TRP 41 3.383 1.079 1.282 268 HH2 TRP 41 HH TRP 41 1.361 1.059 2.735 269 H GLY 42 H GLY 42 8.787 -1.555 8.273 270 HA2 GLY 42 1HA GLY 42 8.125 -0.907 10.368 271 HA3 GLY 42 2HA GLY 42 8.924 0.621 9.953 272 H THR 43 H THR 43 7.667 2.326 10.093 273 HA THR 43 HA THR 43 5.133 2.435 8.828 274 HB THR 43 HB THR 43 4.449 3.128 11.649 275 HG1 THR 43 1HG THR 43 4.183 1.121 12.417 276 HG21 THR 43 3HG2 THR 43 2.923 3.201 9.657 277 HG22 THR 43 1HG2 THR 43 2.316 2.174 10.961 278 HG23 THR 43 2HG2 THR 43 3.070 1.439 9.515 279 H GLY 44 H GLY 44 7.622 3.951 9.432 280 HA2 GLY 44 1HA GLY 44 6.447 6.699 9.774 281 HA3 GLY 44 2HA GLY 44 7.697 6.121 10.876 282 H ALA 45 H ALA 45 7.029 7.175 7.714 283 HA ALA 45 HA ALA 45 8.219 7.553 5.782 284 HB1 ALA 45 1HB ALA 45 9.595 9.556 6.145 285 HB2 ALA 45 2HB ALA 45 8.079 9.620 7.044 286 HB3 ALA 45 3HB ALA 45 9.586 9.247 7.893 287 H GLU 46 H GLU 46 10.848 7.528 8.086 288 HA GLU 46 HA GLU 46 13.039 6.687 6.537 289 HB3 GLU 46 2HB GLU 46 13.790 5.928 8.864 290 HG3 GLU 46 2HG GLU 46 14.293 8.206 8.128 291 H GLY 47 H GLY 47 10.650 4.865 8.520 292 HA2 GLY 47 1HA GLY 47 11.465 2.312 8.382 293 HA3 GLY 47 2HA GLY 47 9.784 2.766 8.263 294 H ALA 48 H ALA 48 9.569 3.935 5.828 295 HA ALA 48 HA ALA 48 9.649 1.639 4.018 296 HB1 ALA 48 1HB ALA 48 7.650 3.118 4.106 297 HB2 ALA 48 2HB ALA 48 8.653 4.506 3.633 298 HB3 ALA 48 3HB ALA 48 8.406 3.158 2.499 299 H ARG 49 H ARG 49 11.524 4.642 4.474 300 HA ARG 49 HA ARG 49 12.607 4.747 1.805 301 HB3 ARG 49 2HB ARG 49 13.889 5.579 4.453 302 HG3 ARG 49 2HG ARG 49 14.245 7.127 1.905 303 HD3 ARG 49 2HD ARG 49 15.957 6.384 4.304 304 HE ARG 49 HE ARG 49 17.146 6.285 2.019 305 HH11 ARG 49 1HH1 ARG 49 17.136 9.217 4.024 306 HH12 ARG 49 2HH1 ARG 49 18.154 10.099 2.936 307 HH21 ARG 49 1HH2 ARG 49 18.544 7.251 0.759 308 HH22 ARG 49 2HH2 ARG 49 19.214 8.829 1.126 309 H GLN 50 H GLN 50 13.497 2.983 4.818 310 HA GLN 50 HA GLN 50 16.030 2.132 3.840 311 HB3 GLN 50 2HB GLN 50 15.861 0.570 5.853 312 HG3 GLN 50 2HG GLN 50 15.953 2.297 7.567 313 HE21 GLN 50 1HE2 GLN 50 16.810 4.991 6.197 314 HE22 GLN 50 2HE2 GLN 50 18.395 4.541 5.555 315 H ARG 51 H ARG 51 12.840 0.931 3.175 316 HA ARG 51 HA ARG 51 14.084 -1.605 2.267 317 HB3 ARG 51 2HB ARG 51 11.160 -1.591 2.279 318 HG3 ARG 51 2HG ARG 51 12.276 -3.700 2.371 319 HD3 ARG 51 2HD ARG 51 13.482 -2.679 4.978 320 HE ARG 51 HE ARG 51 13.317 -4.753 5.832 321 HH11 ARG 51 1HH1 ARG 51 13.413 -5.251 2.258 322 HH12 ARG 51 2HH1 ARG 51 13.221 -6.957 2.441 323 HH21 ARG 51 1HH2 ARG 51 13.441 -7.134 5.911 324 HH22 ARG 51 2HH2 ARG 51 13.222 -7.956 4.380 325 H LEU 52 H LEU 52 12.250 1.142 1.134 326 HA LEU 52 HA LEU 52 11.646 0.390 -1.558 327 HB3 LEU 52 2HB LEU 52 12.473 2.992 -0.236 328 HG LEU 52 HG LEU 52 10.671 3.551 -2.212 329 HD11 LEU 52 1HD1 LEU 52 11.985 5.152 -3.055 330 HD12 LEU 52 2HD1 LEU 52 13.447 4.255 -2.722 331 HD13 LEU 52 3HD1 LEU 52 12.520 4.975 -1.370 332 HD21 LEU 52 3HD2 LEU 52 12.805 2.302 -3.879 333 HD22 LEU 52 1HD2 LEU 52 11.335 3.093 -4.386 334 HD23 LEU 52 2HD2 LEU 52 11.251 1.520 -3.570 335 H GLU 53 H GLU 53 14.400 2.449 -0.499 336 HA GLU 53 HA GLU 53 14.963 2.768 -3.153 337 HB3 GLU 53 2HB GLU 53 17.084 3.961 -2.383 338 HG3 GLU 53 2HG GLU 53 14.898 4.500 -0.347 339 H ASN 54 H ASN 54 15.610 0.058 -1.606 340 HA ASN 54 HA ASN 54 17.794 -0.890 -3.177 341 HB3 ASN 54 2HB ASN 54 19.171 0.005 -1.469 342 HD21 ASN 54 1HD2 ASN 54 16.581 -1.482 0.516 343 HD22 ASN 54 2HD2 ASN 54 16.324 -0.085 1.546 344 H ILE 55 H ILE 55 15.361 -1.654 -3.556 345 HA ILE 55 HA ILE 55 14.367 -3.787 -1.873 346 HB ILE 55 HB ILE 55 13.084 -2.277 -3.555 347 HG13 ILE 55 2HG1 ILE 55 12.737 -5.234 -3.175 348 HG21 ILE 55 1HG2 ILE 55 12.909 -3.111 -5.852 349 HG22 ILE 55 2HG2 ILE 55 14.553 -2.561 -5.492 350 HG23 ILE 55 3HG2 ILE 55 14.178 -4.296 -5.554 351 HD11 ILE 55 3HD1 ILE 55 10.676 -4.514 -2.072 352 HD12 ILE 55 1HD1 ILE 55 12.046 -3.609 -1.401 353 HD13 ILE 55 2HD1 ILE 55 10.960 -2.832 -2.569 354 H GLN 56 H GLN 56 14.291 -6.127 -2.873 355 HA GLN 56 HA GLN 56 16.711 -6.727 -4.454 356 HB3 GLN 56 2HB GLN 56 17.056 -8.699 -3.282 357 HG3 GLN 56 2HG GLN 56 17.017 -8.422 -0.928 358 HE21 GLN 56 1HE2 GLN 56 16.894 -5.027 -0.803 359 HE22 GLN 56 2HE2 GLN 56 18.464 -4.691 -1.406 360 HA PRO 57 HA PRO 57 13.591 -8.577 -7.191 361 HB3 PRO 57 2HB PRO 57 15.365 -9.018 -8.621 362 HG3 PRO 57 2HG PRO 57 17.444 -9.877 -7.814 363 HD3 PRO 57 2HD PRO 57 17.030 -7.835 -6.627 364 H ALA 58 H ALA 58 15.030 -10.433 -4.550 365 HA ALA 58 HA ALA 58 12.927 -12.485 -4.572 366 HB1 ALA 58 1HB ALA 58 15.198 -12.989 -3.788 367 HB2 ALA 58 2HB ALA 58 15.049 -11.755 -2.508 368 HB3 ALA 58 3HB ALA 58 14.009 -13.202 -2.488 369 H ASP 59 H ASP 59 13.187 -9.208 -3.402 370 HA ASP 59 HA ASP 59 11.737 -9.603 -0.912 371 HB3 ASP 59 2HB ASP 59 11.803 -6.936 -2.285 372 H VAL 60 H VAL 60 10.924 -9.055 -4.219 373 HA VAL 60 HA VAL 60 8.140 -8.307 -3.770 374 HB VAL 60 HB VAL 60 9.140 -7.386 -5.662 375 HG11 VAL 60 1HG1 VAL 60 10.146 -8.631 -7.513 376 HG12 VAL 60 2HG1 VAL 60 11.091 -8.763 -6.051 377 HG13 VAL 60 3HG1 VAL 60 10.067 -10.126 -6.610 378 HG21 VAL 60 3HG2 VAL 60 7.789 -8.110 -7.487 379 HG22 VAL 60 1HG2 VAL 60 7.505 -9.700 -6.757 380 HG23 VAL 60 2HG2 VAL 60 6.853 -8.224 -5.996 381 H SER 61 H SER 61 9.865 -11.187 -5.069 382 HA SER 61 HA SER 61 7.679 -12.969 -4.974 383 HB3 SER 61 2HB SER 61 9.385 -14.603 -5.615 384 HG SER 61 HG SER 61 9.998 -13.311 -7.502 385 H MET 62 H MET 62 8.061 -11.763 -2.403 386 HA MET 62 HA MET 62 7.972 -14.244 -0.881 387 HB3 MET 62 2HB MET 62 10.027 -13.015 -0.223 388 HG3 MET 62 2HG MET 62 8.033 -11.026 0.932 389 HE1 MET 62 3HE MET 62 8.591 -11.824 3.297 390 HE2 MET 62 1HE MET 62 9.930 -12.945 2.944 391 HE3 MET 62 2HE MET 62 10.153 -11.629 4.107 392 H ILE 63 H ILE 63 6.798 -10.906 -1.441 393 HA ILE 63 HA ILE 63 4.812 -10.818 0.550 394 HB ILE 63 HB ILE 63 5.032 -9.402 -2.146 395 HG13 ILE 63 2HG1 ILE 63 7.034 -9.165 -0.485 396 HG21 ILE 63 1HG2 ILE 63 3.642 -7.605 -1.110 397 HG22 ILE 63 2HG2 ILE 63 2.786 -9.128 -1.209 398 HG23 ILE 63 3HG2 ILE 63 3.456 -8.604 0.347 399 HD11 ILE 63 3HD1 ILE 63 7.288 -6.786 -0.920 400 HD12 ILE 63 1HD1 ILE 63 6.694 -7.639 -2.357 401 HD13 ILE 63 2HD1 ILE 63 5.588 -6.659 -1.398 402 H LYS 64 H LYS 64 4.786 -11.926 -2.785 403 HA LYS 64 HA LYS 64 2.026 -12.364 -3.242 404 HB3 LYS 64 2HB LYS 64 2.874 -14.198 -4.774 405 HG3 LYS 64 2HG LYS 64 3.540 -11.352 -4.840 406 HD3 LYS 64 2HD LYS 64 5.824 -12.070 -5.215 407 HE3 LYS 64 2HE LYS 64 4.625 -13.710 -7.471 408 HZ1 LYS 64 3HZ LYS 64 6.291 -12.421 -8.463 409 HZ2 LYS 64 1HZ LYS 64 6.883 -13.916 -8.322 410 HZ3 LYS 64 2HZ LYS 64 7.447 -12.779 -7.316 411 H LYS 65 H LYS 65 4.392 -14.432 -1.540 412 HA LYS 65 HA LYS 65 2.615 -16.668 -1.282 413 HB3 LYS 65 2HB LYS 65 4.392 -17.404 0.372 414 HG3 LYS 65 2HG LYS 65 4.592 -17.259 -2.422 415 HD3 LYS 65 2HD LYS 65 6.377 -15.407 -1.979 416 HE3 LYS 65 2HE LYS 65 8.655 -16.362 -1.594 417 HZ1 LYS 65 3HZ LYS 65 8.604 -16.803 0.730 418 HZ2 LYS 65 1HZ LYS 65 7.024 -17.103 0.752 419 HZ3 LYS 65 2HZ LYS 65 7.543 -15.566 0.450 420 H GLN 66 H GLN 66 2.781 -13.655 0.448 421 HA GLN 66 HA GLN 66 1.571 -14.850 2.862 422 HB3 GLN 66 2HB GLN 66 1.433 -12.315 3.470 423 HG3 GLN 66 2HG GLN 66 2.968 -14.056 4.422 424 HE21 GLN 66 1HE2 GLN 66 5.446 -11.841 3.260 425 HE22 GLN 66 2HE2 GLN 66 6.365 -13.076 2.413 426 H GLY 67 H GLY 67 0.368 -14.302 -0.161 427 HA2 GLY 67 1HA GLY 67 -1.894 -14.824 -0.549 428 HA3 GLY 67 2HA GLY 67 -2.348 -14.069 0.971 429 H THR 68 H THR 68 -0.219 -12.635 -1.471 430 HA THR 68 HA THR 68 -2.064 -10.320 -1.691 431 HB THR 68 HB THR 68 0.927 -10.434 -2.247 432 HG1 THR 68 1HG THR 68 1.145 -10.738 -0.221 433 HG21 THR 68 3HG2 THR 68 -0.982 -8.151 -1.592 434 HG22 THR 68 1HG2 THR 68 0.030 -8.354 -3.050 435 HG23 THR 68 2HG2 THR 68 0.781 -8.000 -1.506 436 H THR 69 H THR 69 -1.664 -9.039 -3.947 437 HA THR 69 HA THR 69 -0.954 -10.717 -6.217 438 HB THR 69 HB THR 69 -2.925 -9.657 -7.428 439 HG1 THR 69 1HG THR 69 -4.673 -9.027 -6.144 440 HG21 THR 69 3HG2 THR 69 -3.718 -11.669 -5.305 441 HG22 THR 69 1HG2 THR 69 -2.876 -12.057 -6.834 442 HG23 THR 69 2HG2 THR 69 -4.514 -11.377 -6.866 443 H LEU 70 H LEU 70 -0.743 -9.158 -8.191 444 HA LEU 70 HA LEU 70 0.848 -6.903 -7.581 445 HB3 LEU 70 2HB LEU 70 -0.680 -7.738 -10.094 446 HG LEU 70 HG LEU 70 -0.107 -5.286 -10.242 447 HD11 LEU 70 1HD1 LEU 70 2.746 -6.287 -9.783 448 HD12 LEU 70 2HD1 LEU 70 1.840 -5.165 -8.740 449 HD13 LEU 70 3HD1 LEU 70 2.310 -4.671 -10.371 450 HD21 LEU 70 3HD2 LEU 70 1.597 -7.173 -11.925 451 HD22 LEU 70 1HD2 LEU 70 1.140 -5.500 -12.338 452 HD23 LEU 70 2HD2 LEU 70 -0.106 -6.743 -12.215 453 H GLU 71 H GLU 71 -2.607 -7.214 -8.335 454 HA GLU 71 HA GLU 71 -3.407 -4.610 -8.677 455 HB3 GLU 71 2HB GLU 71 -4.990 -6.619 -7.035 456 HG3 GLU 71 2HG GLU 71 -6.031 -5.659 -9.582 457 H MET 72 H MET 72 -2.573 -6.149 -5.768 458 HA MET 72 HA MET 72 -3.781 -4.295 -3.855 459 HB3 MET 72 2HB MET 72 -1.270 -5.667 -3.002 460 HG3 MET 72 2HG MET 72 -3.083 -4.650 -1.512 461 HE1 MET 72 3HE MET 72 -4.211 -8.201 -3.272 462 HE2 MET 72 1HE MET 72 -3.523 -8.425 -1.649 463 HE3 MET 72 2HE MET 72 -5.252 -8.702 -1.926 464 H ILE 73 H ILE 73 -0.551 -4.662 -5.307 465 HA ILE 73 HA ILE 73 0.768 -2.694 -3.684 466 HB ILE 73 HB ILE 73 1.497 -3.934 -6.394 467 HG13 ILE 73 2HG1 ILE 73 2.853 -5.569 -5.037 468 HG21 ILE 73 1HG2 ILE 73 3.799 -3.577 -5.913 469 HG22 ILE 73 2HG2 ILE 73 2.962 -2.034 -5.824 470 HG23 ILE 73 3HG2 ILE 73 3.456 -2.884 -4.334 471 HD11 ILE 73 3HD1 ILE 73 2.114 -6.128 -2.759 472 HD12 ILE 73 1HD1 ILE 73 2.806 -4.500 -2.780 473 HD13 ILE 73 2HD1 ILE 73 1.041 -4.713 -2.715 474 H THR 74 H THR 74 -0.720 -2.650 -6.920 475 HA THR 74 HA THR 74 0.041 -0.055 -7.696 476 HB THR 74 HB THR 74 -1.900 -0.400 -9.318 477 HG1 THR 74 1HG THR 74 -3.310 -1.716 -8.271 478 HG21 THR 74 3HG2 THR 74 -0.029 -2.806 -9.007 479 HG22 THR 74 1HG2 THR 74 0.439 -1.270 -9.740 480 HG23 THR 74 2HG2 THR 74 -0.831 -2.248 -10.481 481 H ALA 75 H ALA 75 -2.784 -1.217 -5.842 482 HA ALA 75 HA ALA 75 -4.189 1.286 -5.981 483 HB1 ALA 75 1HB ALA 75 -5.300 -0.843 -5.489 484 HB2 ALA 75 2HB ALA 75 -4.415 -0.989 -3.961 485 HB3 ALA 75 3HB ALA 75 -5.603 0.323 -4.195 486 H TRP 76 H TRP 76 -2.089 -0.141 -3.443 487 HA TRP 76 HA TRP 76 -2.389 2.137 -1.677 488 HB3 TRP 76 2HB TRP 76 -0.316 1.129 -0.567 489 HD1 TRP 76 HD TRP 76 -2.412 -1.938 -1.453 490 HE1 TRP 76 1HE TRP 76 -4.260 -2.277 0.231 491 HE3 TRP 76 3HE TRP 76 -1.825 2.346 1.307 492 HZ2 TRP 76 2HZ TRP 76 -5.343 -0.941 2.552 493 HZ3 TRP 76 3HZ TRP 76 -3.188 2.667 3.377 494 HH2 TRP 76 HH TRP 76 -5.005 1.079 3.926 495 H GLN 77 H GLN 77 -0.130 1.366 -4.312 496 HA GLN 77 HA GLN 77 1.768 3.412 -3.776 497 HB3 GLN 77 2HB GLN 77 0.896 2.137 -6.407 498 HG3 GLN 77 2HG GLN 77 3.416 3.634 -5.615 499 HE21 GLN 77 1HE2 GLN 77 3.997 4.242 -8.297 500 HE22 GLN 77 2HE2 GLN 77 4.618 2.745 -9.037 501 H ASP 78 H ASP 78 -0.996 3.366 -6.060 502 HA ASP 78 HA ASP 78 -0.816 6.033 -6.989 503 HB3 ASP 78 2HB ASP 78 -3.613 5.153 -6.761 504 H PHE 79 H PHE 79 -2.614 4.648 -4.276 505 HA PHE 79 HA PHE 79 -4.025 6.909 -3.426 506 HB3 PHE 79 2HB PHE 79 -2.813 4.690 -1.714 507 HD1 PHE 79 2HD PHE 79 -6.187 6.225 -2.323 508 HD2 PHE 79 1HD PHE 79 -3.014 5.465 0.507 509 HE1 PHE 79 2HE PHE 79 -7.640 6.991 -0.508 510 HE2 PHE 79 1HE PHE 79 -4.435 6.330 2.314 511 HZ PHE 79 HZ PHE 79 -6.792 7.023 1.851 512 H TYR 80 H TYR 80 -0.814 5.767 -2.212 513 HA TYR 80 HA TYR 80 -0.489 8.087 -0.559 514 HB3 TYR 80 2HB TYR 80 1.994 7.299 -0.581 515 HD1 TYR 80 2HD TYR 80 0.209 7.802 1.523 516 HD2 TYR 80 1HD TYR 80 1.155 4.037 -0.315 517 HE1 TYR 80 2HE TYR 80 -0.544 6.649 3.569 518 HE2 TYR 80 1HE TYR 80 0.384 2.837 1.748 519 HH TYR 80 HH TYR 80 -1.407 4.387 4.253 520 H GLU 81 H GLU 81 0.463 7.396 -3.932 521 HA GLU 81 HA GLU 81 2.029 9.762 -4.395 522 HB3 GLU 81 2HB GLU 81 1.193 9.258 -6.825 523 HG3 GLU 81 2HG GLU 81 2.542 7.157 -5.090 524 H GLN 82 H GLN 82 -1.364 9.183 -4.353 525 HA GLN 82 HA GLN 82 -2.071 11.913 -5.137 526 HB3 GLN 82 2HB GLN 82 -4.367 11.115 -4.220 527 HG3 GLN 82 2HG GLN 82 -3.011 10.907 -6.741 528 HE21 GLN 82 1HE2 GLN 82 -2.682 9.313 -8.202 529 HE22 GLN 82 2HE2 GLN 82 -3.436 7.724 -8.167 530 H GLU 83 H GLU 83 -0.815 10.831 -2.227 531 HA GLU 83 HA GLU 83 -2.007 13.094 -0.696 532 HB3 GLU 83 2HB GLU 83 -0.687 12.340 1.178 533 HG3 GLU 83 2HG GLU 83 -1.099 9.919 1.382 534 H GLN 84 H GLN 84 0.681 12.520 -2.760 535 HA GLN 84 HA GLN 84 2.483 14.202 -1.092 536 HB3 GLN 84 2HB GLN 84 2.598 11.677 -1.785 537 HG3 GLN 84 2HG GLN 84 4.521 12.745 -3.830 538 HE21 GLN 84 1HE2 GLN 84 2.781 9.892 -2.351 539 HE22 GLN 84 2HE2 GLN 84 4.005 8.756 -2.862 540 H GLN 85 H GLN 85 1.696 13.623 -4.404 541 HA GLN 85 HA GLN 85 3.268 15.598 -5.739 542 HB3 GLN 85 2HB GLN 85 1.661 15.590 -7.528 543 HG3 GLN 85 2HG GLN 85 1.806 12.843 -6.254 544 HE21 GLN 85 1HE2 GLN 85 -0.518 12.427 -6.780 545 HE22 GLN 85 2HE2 GLN 85 -0.905 12.027 -8.448 546 H ARG 86 H ARG 86 0.189 15.894 -4.026 547 HA ARG 86 HA ARG 86 -0.225 18.681 -4.599 548 HB3 ARG 86 2HB ARG 86 -2.083 17.270 -3.943 549 HG3 ARG 86 2HG ARG 86 -0.699 17.085 -1.250 550 HD3 ARG 86 2HD ARG 86 -3.284 17.495 -1.256 551 HE ARG 86 HE ARG 86 -3.088 14.837 -2.472 552 HH11 ARG 86 1HH1 ARG 86 -5.163 16.820 -0.337 553 HH12 ARG 86 2HH1 ARG 86 -6.344 15.556 -0.211 554 HH21 ARG 86 1HH2 ARG 86 -4.740 13.379 -2.445 555 HH22 ARG 86 2HH2 ARG 86 -6.277 13.719 -1.691 556 H ASN 87 H ASN 87 1.698 17.136 -1.963 557 HA ASN 87 HA ASN 87 2.653 19.759 -1.180 558 HB3 ASN 87 2HB ASN 87 1.038 19.876 0.414 559 HD21 ASN 87 1HD2 ASN 87 2.151 16.486 0.836 560 HD22 ASN 87 2HD2 ASN 87 0.531 15.828 0.950 561 H GLU 88 H GLU 88 4.738 19.483 -1.471 562 HA GLU 88 HA GLU 88 6.011 16.992 -1.863 563 HB3 GLU 88 2HB GLU 88 8.078 18.657 -1.607 564 HG3 GLU 88 2HG GLU 88 7.050 19.931 -3.789 565 H ASN 89 H ASN 89 5.458 18.860 1.028 566 HA ASN 89 HA ASN 89 7.799 17.852 2.423 567 HB3 ASN 89 2HB ASN 89 7.063 19.283 4.266 568 HD21 ASN 89 1HD2 ASN 89 8.929 19.575 2.213 569 HD22 ASN 89 2HD2 ASN 89 8.835 21.201 1.573 570 H ASN 90 H ASN 90 5.397 16.050 1.618 571 HA ASN 90 HA ASN 90 5.168 14.638 4.252 572 HB3 ASN 90 2HB ASN 90 3.500 13.204 2.719 573 HD21 ASN 90 1HD2 ASN 90 2.236 12.977 4.585 574 HD22 ASN 90 2HD2 ASN 90 1.460 14.331 5.323 575 HA PRO 91 HA PRO 91 8.399 12.315 1.925 576 HB3 PRO 91 2HB PRO 91 10.038 13.084 3.435 577 HG3 PRO 91 2HG PRO 91 9.442 13.609 5.691 578 HD3 PRO 91 2HD PRO 91 8.140 14.909 4.256 579 H THR 92 H THR 92 6.252 11.566 4.678 580 HA THR 92 HA THR 92 6.734 8.912 5.039 581 HB THR 92 HB THR 92 4.060 10.355 5.298 582 HG1 THR 92 1HG THR 92 4.911 11.086 7.252 583 HG21 THR 92 3HG2 THR 92 5.340 8.028 6.813 584 HG22 THR 92 1HG2 THR 92 3.909 7.956 5.750 585 HG23 THR 92 2HG2 THR 92 3.835 8.844 7.287 586 H ALA 93 H ALA 93 3.860 10.076 3.255 587 HA ALA 93 HA ALA 93 3.119 7.835 1.844 588 HB1 ALA 93 1HB ALA 93 2.076 9.431 0.308 589 HB2 ALA 93 2HB ALA 93 1.859 9.960 1.977 590 HB3 ALA 93 3HB ALA 93 3.067 10.751 0.938 591 H LYS 94 H LYS 94 5.480 10.330 0.971 592 HA LYS 94 HA LYS 94 6.050 9.480 -1.659 593 HB3 LYS 94 2HB LYS 94 7.468 11.355 0.260 594 HG3 LYS 94 2HG LYS 94 7.476 11.202 -2.745 595 HD3 LYS 94 2HD LYS 94 6.862 13.468 -2.020 596 HE3 LYS 94 2HE LYS 94 8.839 13.041 -0.003 597 HZ1 LYS 94 3HZ LYS 94 10.578 13.921 -1.346 598 HZ2 LYS 94 1HZ LYS 94 10.125 15.135 -0.347 599 HZ3 LYS 94 2HZ LYS 94 9.658 15.172 -1.887 600 H TYR 95 H TYR 95 7.228 8.037 1.205 601 HA TYR 95 HA TYR 95 9.370 6.729 -0.457 602 HB3 TYR 95 2HB TYR 95 10.026 5.630 1.711 603 HD1 TYR 95 1HD TYR 95 11.471 7.285 -0.163 604 HD2 TYR 95 2HD TYR 95 10.064 8.320 3.806 605 HE1 TYR 95 1HE TYR 95 13.086 9.144 -0.054 606 HE2 TYR 95 2HE TYR 95 11.849 9.984 3.999 607 HH TYR 95 HH TYR 95 14.041 10.900 1.315 608 H ARG 96 H ARG 96 6.437 6.009 1.568 609 HA ARG 96 HA ARG 96 6.603 3.232 1.062 610 HB3 ARG 96 2HB ARG 96 5.528 3.999 2.998 611 HG3 ARG 96 2HG ARG 96 3.364 5.146 1.193 612 HD3 ARG 96 2HD ARG 96 2.462 4.073 3.237 613 HE ARG 96 HE ARG 96 4.638 5.214 4.653 614 HH11 ARG 96 1HH1 ARG 96 1.051 5.082 4.974 615 HH12 ARG 96 2HH1 ARG 96 1.121 5.571 6.637 616 HH21 ARG 96 1HH2 ARG 96 4.625 5.510 6.881 617 HH22 ARG 96 2HH2 ARG 96 3.123 5.638 7.771 618 H ALA 97 H ALA 97 4.800 5.746 -0.859 619 HA ALA 97 HA ALA 97 3.577 3.848 -2.622 620 HB1 ALA 97 1HB ALA 97 4.280 6.766 -2.682 621 HB2 ALA 97 2HB ALA 97 4.095 5.935 -4.240 622 HB3 ALA 97 3HB ALA 97 2.764 5.942 -3.095 623 H ARG 98 H ARG 98 6.622 5.758 -3.032 624 HA ARG 98 HA ARG 98 7.548 4.479 -5.218 625 HB3 ARG 98 2HB ARG 98 9.631 5.167 -3.169 626 HG3 ARG 98 2HG ARG 98 8.845 6.217 -5.916 627 HD3 ARG 98 2HD ARG 98 11.222 6.881 -4.147 628 HE ARG 98 HE ARG 98 10.994 6.896 -6.943 629 HH11 ARG 98 1HH1 ARG 98 11.781 9.245 -4.431 630 HH12 ARG 98 2HH1 ARG 98 12.778 10.245 -5.420 631 HH21 ARG 98 1HH2 ARG 98 12.086 8.277 -8.359 632 HH22 ARG 98 2HH2 ARG 98 13.016 9.634 -7.770 633 H LEU 99 H LEU 99 7.722 3.197 -1.934 634 HA LEU 99 HA LEU 99 9.452 1.000 -2.429 635 HB3 LEU 99 2HB LEU 99 7.088 0.931 -0.516 636 HG LEU 99 HG LEU 99 9.940 -0.119 -0.360 637 HD11 LEU 99 1HD1 LEU 99 9.299 0.893 1.773 638 HD12 LEU 99 2HD1 LEU 99 9.181 -0.866 1.940 639 HD13 LEU 99 3HD1 LEU 99 7.712 0.086 1.707 640 HD21 LEU 99 3HD2 LEU 99 7.343 -1.542 -0.500 641 HD22 LEU 99 1HD2 LEU 99 8.864 -2.265 0.123 642 HD23 LEU 99 2HD2 LEU 99 8.807 -1.689 -1.518 643 H MET 100 H MET 100 5.870 1.252 -2.476 644 HA MET 100 HA MET 100 5.211 -1.328 -3.380 645 HB3 MET 100 2HB MET 100 3.180 -0.220 -4.402 646 HG3 MET 100 2HG MET 100 2.218 0.501 -2.270 647 HE1 MET 100 3HE MET 100 3.231 -1.241 0.351 648 HE2 MET 100 1HE MET 100 1.542 -0.982 -0.199 649 HE3 MET 100 2HE MET 100 2.141 -2.639 0.078 650 H LYS 101 H LYS 101 5.972 1.639 -5.321 651 HA LYS 101 HA LYS 101 5.775 0.653 -7.914 652 HB3 LYS 101 2HB LYS 101 7.986 2.451 -6.876 653 HG3 LYS 101 2HG LYS 101 7.640 1.279 -9.494 654 HD3 LYS 101 2HD LYS 101 7.316 4.269 -9.286 655 HE3 LYS 101 2HE LYS 101 9.215 3.609 -10.782 656 HZ1 LYS 101 3HZ LYS 101 8.529 1.497 -11.613 657 HZ2 LYS 101 1HZ LYS 101 8.636 2.529 -12.856 658 HZ3 LYS 101 2HZ LYS 101 7.144 2.096 -12.277 659 H LYS 102 H LYS 102 8.625 0.457 -5.891 660 HA LYS 102 HA LYS 102 10.226 -1.041 -7.654 661 HB3 LYS 102 2HB LYS 102 11.041 -1.871 -5.057 662 HG3 LYS 102 2HG LYS 102 12.685 -1.023 -6.627 663 HD3 LYS 102 2HD LYS 102 12.735 1.683 -6.564 664 HE3 LYS 102 2HE LYS 102 11.237 1.303 -8.870 665 HZ1 LYS 102 3HZ LYS 102 13.487 1.846 -9.060 666 HZ2 LYS 102 1HZ LYS 102 13.329 0.418 -9.865 667 HZ3 LYS 102 2HZ LYS 102 13.999 0.440 -8.360 668 H ILE 103 H ILE 103 8.139 -2.364 -5.132 669 HA ILE 103 HA ILE 103 8.682 -5.106 -5.714 670 HB ILE 103 HB ILE 103 6.327 -3.561 -4.571 671 HG13 ILE 103 2HG1 ILE 103 8.716 -3.866 -3.445 672 HG21 ILE 103 1HG2 ILE 103 6.577 -6.580 -4.560 673 HG22 ILE 103 2HG2 ILE 103 5.342 -5.616 -3.721 674 HG23 ILE 103 3HG2 ILE 103 5.384 -5.633 -5.482 675 HD11 ILE 103 3HD1 ILE 103 6.858 -2.850 -2.286 676 HD12 ILE 103 1HD1 ILE 103 6.175 -4.446 -1.910 677 HD13 ILE 103 2HD1 ILE 103 7.752 -3.962 -1.235 678 H ALA 104 H ALA 104 6.085 -2.992 -7.088 679 HA ALA 104 HA ALA 104 5.195 -4.999 -8.947 680 HB1 ALA 104 1HB ALA 104 4.880 -2.002 -8.672 681 HB2 ALA 104 2HB ALA 104 4.074 -2.928 -9.970 682 HB3 ALA 104 3HB ALA 104 3.704 -3.265 -8.267 683 H ASP 105 H ASP 105 7.993 -2.992 -9.038 684 HA ASP 105 HA ASP 105 8.346 -2.755 -11.922 685 HB3 ASP 105 2HB ASP 105 10.752 -2.582 -10.209 686 H LEU 106 H LEU 106 8.761 -5.218 -9.546 687 HA LEU 106 HA LEU 106 10.643 -6.814 -11.216 688 HB3 LEU 106 2HB LEU 106 11.507 -7.615 -8.962 689 HG LEU 106 HG LEU 106 11.839 -4.694 -9.676 690 HD11 LEU 106 1HD1 LEU 106 13.088 -6.142 -7.322 691 HD12 LEU 106 2HD1 LEU 106 11.977 -4.752 -7.279 692 HD13 LEU 106 3HD1 LEU 106 13.596 -4.557 -7.955 693 HD21 LEU 106 3HD2 LEU 106 13.794 -7.052 -9.612 694 HD22 LEU 106 1HD2 LEU 106 14.133 -5.421 -10.205 695 HD23 LEU 106 2HD2 LEU 106 12.985 -6.437 -11.079 696 H TRP 107 H TRP 107 7.584 -6.698 -10.826 697 HA TRP 107 HA TRP 107 6.909 -9.027 -9.400 698 HB3 TRP 107 2HB TRP 107 5.171 -7.978 -11.643 699 HD1 TRP 107 HD TRP 107 3.086 -9.565 -11.488 700 HE1 TRP 107 1HE TRP 107 1.636 -10.499 -9.716 701 HE3 TRP 107 3HE TRP 107 5.315 -7.370 -7.466 702 HZ2 TRP 107 2HZ TRP 107 1.344 -10.298 -6.802 703 HZ3 TRP 107 3HZ TRP 107 4.273 -7.613 -5.201 704 HH2 TRP 107 HH TRP 107 2.300 -9.052 -4.874 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -21.437 12.769 2.658 2 HA2 GLY 1 1HA GLY 1 -21.353 13.450 4.993 3 HA3 GLY 1 2HA GLY 1 -21.642 11.704 4.865 4 H THR 2 H THR 2 -20.508 12.681 7.254 5 HA THR 2 HA THR 2 -17.604 12.927 6.769 6 HB THR 2 HB THR 2 -18.110 14.991 8.305 7 HG1 THR 2 1HG THR 2 -20.149 14.835 8.809 8 HG21 THR 2 3HG2 THR 2 -17.402 15.092 5.924 9 HG22 THR 2 1HG2 THR 2 -18.576 16.342 6.334 10 HG23 THR 2 2HG2 THR 2 -19.101 14.927 5.410 11 H ASP 3 H ASP 3 -19.588 11.065 8.779 12 HA ASP 3 HA ASP 3 -17.391 10.925 10.787 13 HB3 ASP 3 2HB ASP 3 -20.239 10.953 11.752 14 H PHE 4 H PHE 4 -18.424 9.070 12.442 15 HA PHE 4 HA PHE 4 -19.150 6.671 10.856 16 HB3 PHE 4 2HB PHE 4 -17.768 5.850 13.200 17 HD1 PHE 4 2HD PHE 4 -16.737 7.071 9.776 18 HD2 PHE 4 1HD PHE 4 -16.923 3.760 12.546 19 HE1 PHE 4 2HE PHE 4 -15.816 5.551 8.035 20 HE2 PHE 4 1HE PHE 4 -15.981 2.263 10.803 21 HZ PHE 4 HZ PHE 4 -15.441 3.154 8.557 22 H GLY 5 H GLY 5 -19.831 4.968 12.803 23 HA2 GLY 5 1HA GLY 5 -20.884 5.507 15.161 24 HA3 GLY 5 2HA GLY 5 -22.142 6.231 14.149 25 H THR 6 H THR 6 -23.508 4.918 12.933 26 HA THR 6 HA THR 6 -23.530 2.036 13.655 27 HB THR 6 HB THR 6 -26.017 2.410 13.286 28 HG1 THR 6 1HG THR 6 -26.590 4.659 13.408 29 HG21 THR 6 3HG2 THR 6 -24.991 2.413 15.552 30 HG22 THR 6 1HG2 THR 6 -26.336 3.550 15.426 31 HG23 THR 6 2HG2 THR 6 -24.677 4.160 15.412 32 H THR 7 H THR 7 -22.493 3.693 11.051 33 HA THR 7 HA THR 7 -24.461 3.161 9.158 34 HB THR 7 HB THR 7 -21.641 3.949 8.415 35 HG1 THR 7 1HG THR 7 -22.074 6.023 9.283 36 HG21 THR 7 3HG2 THR 7 -23.508 4.037 6.751 37 HG22 THR 7 1HG2 THR 7 -22.830 5.640 7.073 38 HG23 THR 7 2HG2 THR 7 -24.381 5.164 7.801 39 H ASN 8 H ASN 8 -22.280 0.871 10.294 40 HA ASN 8 HA ASN 8 -21.802 -0.388 7.680 41 HB3 ASN 8 2HB ASN 8 -20.050 -0.410 9.431 42 HD21 ASN 8 1HD2 ASN 8 -19.077 -1.372 11.367 43 HD22 ASN 8 2HD2 ASN 8 -20.107 -2.137 12.557 44 H ASN 9 H ASN 9 -24.337 -0.423 9.972 45 HA ASN 9 HA ASN 9 -24.711 -3.205 10.150 46 HB3 ASN 9 2HB ASN 9 -26.908 -2.537 11.272 47 HD21 ASN 9 1HD2 ASN 9 -25.155 0.107 12.510 48 HD22 ASN 9 2HD2 ASN 9 -24.379 -0.789 13.820 49 H PHE 10 H PHE 10 -25.444 -1.572 7.357 50 HA PHE 10 HA PHE 10 -27.743 -3.344 6.702 51 HB3 PHE 10 2HB PHE 10 -28.665 -1.155 7.029 52 HD1 PHE 10 2HD PHE 10 -27.211 -0.372 3.714 53 HD2 PHE 10 1HD PHE 10 -27.256 0.663 7.906 54 HE1 PHE 10 2HE PHE 10 -26.085 1.754 3.200 55 HE2 PHE 10 1HE PHE 10 -26.103 2.796 7.385 56 HZ PHE 10 HZ PHE 10 -25.523 3.352 5.038 57 H VAL 11 H VAL 11 -27.935 -3.635 4.256 58 HA VAL 11 HA VAL 11 -25.913 -2.724 2.550 59 HB VAL 11 HB VAL 11 -24.590 -4.580 3.477 60 HG11 VAL 11 1HG1 VAL 11 -26.425 -6.124 4.143 61 HG12 VAL 11 2HG1 VAL 11 -26.666 -6.523 2.423 62 HG13 VAL 11 3HG1 VAL 11 -25.128 -6.901 3.217 63 HG21 VAL 11 3HG2 VAL 11 -25.464 -5.192 0.634 64 HG22 VAL 11 1HG2 VAL 11 -24.291 -3.949 1.121 65 HG23 VAL 11 2HG2 VAL 11 -23.942 -5.659 1.416 66 H SER 12 H SER 12 -26.853 -2.667 0.482 67 HA SER 12 HA SER 12 -28.942 -4.519 -0.271 68 HB3 SER 12 2HB SER 12 -30.397 -2.977 0.721 69 HG SER 12 HG SER 12 -29.577 -0.649 -0.480 70 HA PRO 13 HA PRO 13 -26.937 -4.020 -4.116 71 HB3 PRO 13 2HB PRO 13 -28.261 -5.684 -4.956 72 HG3 PRO 13 2HG PRO 13 -30.586 -5.797 -4.426 73 HD3 PRO 13 2HD PRO 13 -29.491 -5.578 -2.357 74 H ASN 14 H ASN 14 -26.198 -1.785 -4.142 75 HA ASN 14 HA ASN 14 -27.420 -0.161 -6.216 76 HB3 ASN 14 2HB ASN 14 -27.466 0.898 -3.369 77 HD21 ASN 14 1HD2 ASN 14 -30.386 1.364 -4.790 78 HD22 ASN 14 2HD2 ASN 14 -30.105 2.935 -5.525 79 H LEU 15 H LEU 15 -25.797 1.175 -7.033 80 HA LEU 15 HA LEU 15 -23.351 1.596 -5.381 81 HB3 LEU 15 2HB LEU 15 -23.258 0.811 -8.305 82 HG LEU 15 HG LEU 15 -21.336 2.070 -6.657 83 HD11 LEU 15 1HD1 LEU 15 -21.104 -0.005 -5.314 84 HD12 LEU 15 2HD1 LEU 15 -19.617 0.379 -6.205 85 HD13 LEU 15 3HD1 LEU 15 -20.683 -0.902 -6.790 86 HD21 LEU 15 3HD2 LEU 15 -20.819 0.293 -9.073 87 HD22 LEU 15 1HD2 LEU 15 -19.722 1.520 -8.400 88 HD23 LEU 15 2HD2 LEU 15 -21.272 2.014 -9.098 89 H GLN 16 H GLN 16 -24.962 3.492 -5.198 90 HA GLN 16 HA GLN 16 -24.487 5.539 -7.270 91 HB3 GLN 16 2HB GLN 16 -26.731 5.266 -6.460 92 HG3 GLN 16 2HG GLN 16 -26.125 4.547 -4.027 93 HE21 GLN 16 1HE2 GLN 16 -27.215 7.991 -4.056 94 HE22 GLN 16 2HE2 GLN 16 -26.228 8.467 -2.706 95 H LEU 17 H LEU 17 -22.401 4.407 -5.337 96 HA LEU 17 HA LEU 17 -21.588 6.911 -3.937 97 HB3 LEU 17 2HB LEU 17 -22.488 5.851 -2.203 98 HG LEU 17 HG LEU 17 -23.230 3.715 -3.245 99 HD11 LEU 17 1HD1 LEU 17 -21.146 2.885 -4.282 100 HD12 LEU 17 2HD1 LEU 17 -21.801 1.707 -3.139 101 HD13 LEU 17 3HD1 LEU 17 -20.414 2.707 -2.671 102 HD21 LEU 17 3HD2 LEU 17 -23.090 2.386 -1.213 103 HD22 LEU 17 1HD2 LEU 17 -23.407 4.082 -0.855 104 HD23 LEU 17 2HD2 LEU 17 -21.767 3.402 -0.613 105 H LYS 18 H LYS 18 -20.217 7.225 -5.655 106 HA LYS 18 HA LYS 18 -17.708 5.602 -5.703 107 HB3 LYS 18 2HB LYS 18 -16.916 7.539 -7.245 108 HG3 LYS 18 2HG LYS 18 -18.352 6.602 -9.189 109 HD3 LYS 18 2HD LYS 18 -16.657 4.880 -7.359 110 HE3 LYS 18 2HE LYS 18 -18.073 3.255 -8.397 111 HZ1 LYS 18 3HZ LYS 18 -18.903 4.349 -10.290 112 HZ2 LYS 18 1HZ LYS 18 -17.958 3.152 -10.905 113 HZ3 LYS 18 2HZ LYS 18 -17.415 4.702 -10.880 114 H GLN 19 H GLN 19 -16.226 5.921 -4.204 115 HA GLN 19 HA GLN 19 -15.905 8.491 -2.804 116 HB3 GLN 19 2HB GLN 19 -15.729 7.122 -0.654 117 HG3 GLN 19 2HG GLN 19 -18.112 6.569 -0.273 118 HE21 GLN 19 1HE2 GLN 19 -17.979 9.196 -2.710 119 HE22 GLN 19 2HE2 GLN 19 -17.945 10.511 -1.552 120 H ASN 20 H ASN 20 -13.911 8.077 -1.321 121 HA ASN 20 HA ASN 20 -11.588 7.166 -2.800 122 HB3 ASN 20 2HB ASN 20 -11.948 7.934 0.127 123 HD21 ASN 20 1HD2 ASN 20 -9.677 6.025 -1.236 124 HD22 ASN 20 2HD2 ASN 20 -8.272 7.038 -0.963 125 H VAL 21 H VAL 21 -11.905 5.111 -3.220 126 HA VAL 21 HA VAL 21 -12.437 3.054 -1.114 127 HB VAL 21 HB VAL 21 -12.713 3.065 -4.158 128 HG11 VAL 21 1HG1 VAL 21 -13.150 0.716 -2.262 129 HG12 VAL 21 2HG1 VAL 21 -13.629 0.771 -3.974 130 HG13 VAL 21 3HG1 VAL 21 -11.919 0.834 -3.542 131 HG21 VAL 21 3HG2 VAL 21 -14.579 4.137 -2.871 132 HG22 VAL 21 1HG2 VAL 21 -15.089 2.696 -3.744 133 HG23 VAL 21 2HG2 VAL 21 -14.815 2.620 -1.988 134 H LEU 22 H LEU 22 -10.846 1.352 -0.872 135 HA LEU 22 HA LEU 22 -8.178 2.305 -1.440 136 HB3 LEU 22 2HB LEU 22 -7.527 0.103 -0.234 137 HG LEU 22 HG LEU 22 -9.390 2.037 1.178 138 HD11 LEU 22 1HD1 LEU 22 -8.368 1.203 3.268 139 HD12 LEU 22 2HD1 LEU 22 -7.504 -0.046 2.349 140 HD13 LEU 22 3HD1 LEU 22 -9.282 -0.044 2.407 141 HD21 LEU 22 3HD2 LEU 22 -7.274 3.011 2.084 142 HD22 LEU 22 1HD2 LEU 22 -7.373 3.172 0.340 143 HD23 LEU 22 2HD2 LEU 22 -6.338 1.915 1.041 144 HA PRO 23 HA PRO 23 -7.160 -0.520 -4.810 145 HB3 PRO 23 2HB PRO 23 -5.145 0.502 -5.112 146 HG3 PRO 23 2HG PRO 23 -4.033 1.546 -3.284 147 HD3 PRO 23 2HD PRO 23 -6.259 2.347 -3.074 148 HA PRO 24 HA PRO 24 -7.603 -4.538 -3.277 149 HB3 PRO 24 2HB PRO 24 -7.721 -5.144 -5.543 150 HG3 PRO 24 2HG PRO 24 -6.053 -4.443 -7.098 151 HD3 PRO 24 2HD PRO 24 -7.133 -2.572 -6.088 152 H THR 25 H THR 25 -6.728 -6.569 -2.384 153 HA THR 25 HA THR 25 -3.822 -6.670 -1.855 154 HB THR 25 HB THR 25 -4.525 -7.458 0.548 155 HG1 THR 25 1HG THR 25 -6.695 -5.693 0.019 156 HG21 THR 25 3HG2 THR 25 -4.752 -4.519 -0.113 157 HG22 THR 25 1HG2 THR 25 -3.233 -5.402 0.004 158 HG23 THR 25 2HG2 THR 25 -4.271 -5.243 1.442 159 HA PRO 26 HA PRO 26 -4.410 -10.961 -2.725 160 HB3 PRO 26 2HB PRO 26 -2.149 -11.432 -2.432 161 HG3 PRO 26 2HG PRO 26 -0.898 -10.159 -0.880 162 HD3 PRO 26 2HD PRO 26 -2.064 -8.440 -1.877 163 H LYS 27 H LYS 27 -5.461 -12.882 -1.990 164 HA LYS 27 HA LYS 27 -7.080 -12.504 0.446 165 HB3 LYS 27 2HB LYS 27 -8.322 -13.258 -1.452 166 HG3 LYS 27 2HG LYS 27 -6.083 -15.227 -1.623 167 HD3 LYS 27 2HD LYS 27 -8.465 -16.207 -3.043 168 HE3 LYS 27 2HE LYS 27 -6.182 -17.260 -2.808 169 HZ1 LYS 27 3HZ LYS 27 -5.538 -18.197 -0.882 170 HZ2 LYS 27 1HZ LYS 27 -7.068 -18.352 -0.237 171 HZ3 LYS 27 2HZ LYS 27 -6.279 -16.888 -0.262 172 H ASN 28 H ASN 28 -4.918 -12.480 1.627 173 HA ASN 28 HA ASN 28 -4.817 -15.156 2.789 174 HB3 ASN 28 2HB ASN 28 -2.336 -14.753 3.353 175 HD21 ASN 28 1HD2 ASN 28 -1.838 -14.344 0.055 176 HD22 ASN 28 2HD2 ASN 28 -1.610 -16.055 -0.285 177 H ILE 29 H ILE 29 -4.242 -11.540 3.139 178 HA ILE 29 HA ILE 29 -4.690 -11.811 5.992 179 HB ILE 29 HB ILE 29 -2.686 -10.731 6.589 180 HG13 ILE 29 2HG1 ILE 29 -0.876 -10.029 5.132 181 HG21 ILE 29 1HG2 ILE 29 -2.382 -13.062 6.431 182 HG22 ILE 29 2HG2 ILE 29 -1.797 -12.908 4.751 183 HG23 ILE 29 3HG2 ILE 29 -0.876 -12.185 6.088 184 HD11 ILE 29 3HD1 ILE 29 -1.573 -11.468 3.068 185 HD12 ILE 29 1HD1 ILE 29 -2.692 -10.128 2.732 186 HD13 ILE 29 2HD1 ILE 29 -0.956 -9.825 2.854 187 HA PRO 30 HA PRO 30 -6.638 -7.900 5.118 188 HB3 PRO 30 2HB PRO 30 -7.456 -7.941 7.269 189 HG3 PRO 30 2HG PRO 30 -6.137 -8.658 9.093 190 HD3 PRO 30 2HD PRO 30 -5.848 -10.429 7.546 191 H LEU 31 H LEU 31 -6.217 -5.495 4.961 192 HA LEU 31 HA LEU 31 -3.764 -4.732 3.799 193 HB3 LEU 31 2HB LEU 31 -5.916 -3.037 5.090 194 HG LEU 31 HG LEU 31 -5.124 -1.369 3.365 195 HD11 LEU 31 1HD1 LEU 31 -4.953 -0.931 5.785 196 HD12 LEU 31 2HD1 LEU 31 -3.667 -0.161 4.852 197 HD13 LEU 31 3HD1 LEU 31 -3.302 -1.604 5.786 198 HD21 LEU 31 3HD2 LEU 31 -3.354 -2.914 2.335 199 HD22 LEU 31 1HD2 LEU 31 -2.301 -2.452 3.714 200 HD23 LEU 31 2HD2 LEU 31 -2.923 -1.236 2.619 201 HA PRO 32 HA PRO 32 -2.097 -3.139 8.055 202 HB3 PRO 32 2HB PRO 32 -3.681 -2.404 9.495 203 HG3 PRO 32 2HG PRO 32 -5.881 -3.303 9.504 204 HD3 PRO 32 2HD PRO 32 -5.369 -2.747 7.249 205 H ALA 33 H ALA 33 -2.637 -6.207 6.918 206 HA ALA 33 HA ALA 33 -0.252 -7.130 8.485 207 HB1 ALA 33 1HB ALA 33 -0.937 -9.435 7.862 208 HB2 ALA 33 2HB ALA 33 -2.101 -8.644 8.955 209 HB3 ALA 33 3HB ALA 33 -2.453 -8.740 7.225 210 H PHE 34 H PHE 34 -1.767 -6.759 5.270 211 HA PHE 34 HA PHE 34 0.215 -8.041 3.866 212 HB3 PHE 34 2HB PHE 34 -1.516 -5.717 2.988 213 HD1 PHE 34 1HD PHE 34 0.421 -8.749 1.711 214 HD2 PHE 34 2HD PHE 34 -1.229 -4.848 0.843 215 HE1 PHE 34 1HE PHE 34 1.603 -8.681 -0.426 216 HE2 PHE 34 2HE PHE 34 -0.119 -4.855 -1.364 217 HZ PHE 34 HZ PHE 34 1.323 -6.763 -1.996 218 H GLY 35 H GLY 35 0.737 -4.975 5.420 219 HA2 GLY 35 1HA GLY 35 3.063 -4.422 3.601 220 HA3 GLY 35 2HA GLY 35 2.241 -3.273 4.630 221 H GLN 36 H GLN 36 2.185 -4.070 7.037 222 HA GLN 36 HA GLN 36 4.763 -3.607 8.004 223 HB3 GLN 36 2HB GLN 36 3.864 -3.900 10.225 224 HG3 GLN 36 2HG GLN 36 1.575 -2.811 8.483 225 HE21 GLN 36 1HE2 GLN 36 -0.284 -2.156 9.593 226 HE22 GLN 36 2HE2 GLN 36 -0.546 -2.625 11.284 227 H ARG 37 H ARG 37 3.264 -6.785 7.397 228 HA ARG 37 HA ARG 37 5.725 -7.990 8.615 229 HB3 ARG 37 2HB ARG 37 4.286 -10.008 9.019 230 HG3 ARG 37 2HG ARG 37 3.327 -7.502 10.452 231 HD3 ARG 37 2HD ARG 37 4.028 -10.315 11.379 232 HE ARG 37 HE ARG 37 3.858 -8.111 12.997 233 HH11 ARG 37 1HH1 ARG 37 1.811 -10.981 12.586 234 HH12 ARG 37 2HH1 ARG 37 1.437 -11.177 14.258 235 HH21 ARG 37 1HH2 ARG 37 3.193 -8.259 15.299 236 HH22 ARG 37 2HH2 ARG 37 2.070 -9.470 15.781 237 H ILE 38 H ILE 38 4.909 -7.190 5.727 238 HA ILE 38 HA ILE 38 5.787 -9.774 4.462 239 HB ILE 38 HB ILE 38 3.769 -7.860 3.323 240 HG13 ILE 38 2HG1 ILE 38 1.944 -9.284 3.788 241 HG21 ILE 38 1HG2 ILE 38 4.674 -10.575 2.386 242 HG22 ILE 38 2HG2 ILE 38 3.260 -9.720 1.721 243 HG23 ILE 38 3HG2 ILE 38 4.870 -9.014 1.569 244 HD11 ILE 38 3HD1 ILE 38 2.045 -11.266 5.192 245 HD12 ILE 38 1HD1 ILE 38 2.937 -11.504 3.687 246 HD13 ILE 38 2HD1 ILE 38 3.824 -11.210 5.203 247 H ILE 39 H ILE 39 5.294 -6.268 3.977 248 HA ILE 39 HA ILE 39 7.463 -6.112 1.998 249 HB ILE 39 HB ILE 39 5.464 -4.031 3.009 250 HG13 ILE 39 2HG1 ILE 39 4.153 -4.381 0.984 251 HG21 ILE 39 1HG2 ILE 39 7.243 -2.856 1.972 252 HG22 ILE 39 2HG2 ILE 39 7.421 -4.081 0.695 253 HG23 ILE 39 3HG2 ILE 39 6.036 -2.984 0.706 254 HD11 ILE 39 3HD1 ILE 39 4.304 -6.416 -0.343 255 HD12 ILE 39 1HD1 ILE 39 5.735 -5.398 -0.585 256 HD13 ILE 39 2HD1 ILE 39 5.823 -6.842 0.464 257 H GLY 40 H GLY 40 7.088 -5.875 5.379 258 HA2 GLY 40 1HA GLY 40 8.604 -5.308 7.006 259 HA3 GLY 40 2HA GLY 40 9.801 -5.208 5.702 260 H TRP 41 H TRP 41 7.135 -3.085 5.337 261 HA TRP 41 HA TRP 41 8.817 -0.755 5.560 262 HB3 TRP 41 2HB TRP 41 7.100 -1.211 3.794 263 HD1 TRP 41 HD TRP 41 5.268 -1.930 6.809 264 HE1 TRP 41 1HE TRP 41 2.781 -1.794 6.499 265 HE3 TRP 41 3HE TRP 41 5.188 0.423 2.228 266 HZ2 TRP 41 2HZ TRP 41 0.885 -0.801 4.434 267 HZ3 TRP 41 3HZ TRP 41 3.056 0.825 1.128 268 HH2 TRP 41 HH TRP 41 0.921 0.411 2.273 269 H GLY 42 H GLY 42 8.124 -2.223 8.064 270 HA2 GLY 42 1HA GLY 42 7.628 -1.853 10.249 271 HA3 GLY 42 2HA GLY 42 7.931 -0.127 9.951 272 H THR 43 H THR 43 6.149 1.169 10.061 273 HA THR 43 HA THR 43 3.581 0.359 9.005 274 HB THR 43 HB THR 43 3.635 -0.847 11.160 275 HG1 THR 43 1HG THR 43 1.666 0.028 11.996 276 HG21 THR 43 3HG2 THR 43 3.547 1.880 12.438 277 HG22 THR 43 1HG2 THR 43 4.953 0.795 12.408 278 HG23 THR 43 2HG2 THR 43 3.475 0.252 13.206 279 H GLY 44 H GLY 44 5.643 2.489 8.781 280 HA2 GLY 44 1HA GLY 44 4.025 4.931 9.248 281 HA3 GLY 44 2HA GLY 44 5.476 4.725 10.234 282 H ALA 45 H ALA 45 6.075 6.655 9.326 283 HA ALA 45 HA ALA 45 6.779 6.931 6.455 284 HB1 ALA 45 1HB ALA 45 7.749 9.114 7.054 285 HB2 ALA 45 2HB ALA 45 6.135 8.975 7.768 286 HB3 ALA 45 3HB ALA 45 7.567 8.765 8.781 287 H GLU 46 H GLU 46 8.568 6.951 9.567 288 HA GLU 46 HA GLU 46 11.130 6.520 8.574 289 HB3 GLU 46 2HB GLU 46 10.759 5.294 11.171 290 HG3 GLU 46 2HG GLU 46 11.738 7.476 11.938 291 H GLY 47 H GLY 47 8.724 4.118 9.738 292 HA2 GLY 47 1HA GLY 47 10.185 1.799 9.364 293 HA3 GLY 47 2HA GLY 47 8.421 1.938 9.209 294 H ALA 48 H ALA 48 8.615 3.795 6.850 295 HA ALA 48 HA ALA 48 9.092 1.713 4.802 296 HB1 ALA 48 1HB ALA 48 8.227 3.421 3.246 297 HB2 ALA 48 2HB ALA 48 7.091 3.085 4.566 298 HB3 ALA 48 3HB ALA 48 8.058 4.569 4.599 299 H ARG 49 H ARG 49 10.500 4.847 5.901 300 HA ARG 49 HA ARG 49 12.211 5.264 3.716 301 HB3 ARG 49 2HB ARG 49 12.747 5.989 6.644 302 HG3 ARG 49 2HG ARG 49 13.668 7.389 4.084 303 HD3 ARG 49 2HD ARG 49 14.370 7.893 7.007 304 HE ARG 49 HE ARG 49 15.779 8.641 4.637 305 HH11 ARG 49 1HH1 ARG 49 15.187 9.736 7.945 306 HH12 ARG 49 2HH1 ARG 49 16.180 11.124 7.810 307 HH21 ARG 49 1HH2 ARG 49 17.498 10.224 4.728 308 HH22 ARG 49 2HH2 ARG 49 17.633 11.246 6.096 309 H GLN 50 H GLN 50 12.980 3.417 6.801 310 HA GLN 50 HA GLN 50 15.725 3.244 6.007 311 HB3 GLN 50 2HB GLN 50 16.073 1.785 7.876 312 HG3 GLN 50 2HG GLN 50 15.374 3.146 9.737 313 HE21 GLN 50 1HE2 GLN 50 14.591 5.924 8.254 314 HE22 GLN 50 2HE2 GLN 50 16.164 6.417 7.569 315 H ARG 51 H ARG 51 12.956 1.004 5.550 316 HA ARG 51 HA ARG 51 14.757 -0.880 4.286 317 HB3 ARG 51 2HB ARG 51 11.715 -0.973 4.070 318 HG3 ARG 51 2HG ARG 51 13.092 -2.902 3.083 319 HD3 ARG 51 2HD ARG 51 13.583 -3.368 6.068 320 HE ARG 51 HE ARG 51 13.547 -5.301 3.874 321 HH11 ARG 51 1HH1 ARG 51 14.995 -4.659 7.111 322 HH12 ARG 51 2HH1 ARG 51 15.327 -6.352 7.340 323 HH21 ARG 51 1HH2 ARG 51 14.059 -7.441 4.246 324 HH22 ARG 51 2HH2 ARG 51 14.782 -7.930 5.747 325 H LEU 52 H LEU 52 12.855 1.752 3.076 326 HA LEU 52 HA LEU 52 12.505 0.941 0.403 327 HB3 LEU 52 2HB LEU 52 13.030 3.661 1.600 328 HG LEU 52 HG LEU 52 11.187 3.793 -0.546 329 HD11 LEU 52 1HD1 LEU 52 12.247 5.686 0.308 330 HD12 LEU 52 2HD1 LEU 52 12.521 5.573 -1.435 331 HD13 LEU 52 3HD1 LEU 52 13.814 5.118 -0.337 332 HD21 LEU 52 3HD2 LEU 52 12.471 1.901 -1.666 333 HD22 LEU 52 1HD2 LEU 52 13.736 3.102 -1.933 334 HD23 LEU 52 2HD2 LEU 52 12.093 3.362 -2.560 335 H GLU 53 H GLU 53 14.922 3.301 1.505 336 HA GLU 53 HA GLU 53 15.619 3.740 -1.038 337 HB3 GLU 53 2HB GLU 53 17.737 4.901 -0.182 338 HG3 GLU 53 2HG GLU 53 15.288 5.287 1.557 339 H ASN 54 H ASN 54 16.691 1.149 0.767 340 HA ASN 54 HA ASN 54 19.101 0.708 -0.805 341 HB3 ASN 54 2HB ASN 54 19.830 1.753 1.194 342 HD21 ASN 54 1HD2 ASN 54 17.438 -0.782 2.352 343 HD22 ASN 54 2HD2 ASN 54 16.698 0.399 3.459 344 H ILE 55 H ILE 55 16.540 -0.410 -1.229 345 HA ILE 55 HA ILE 55 15.947 -2.796 0.071 346 HB ILE 55 HB ILE 55 14.592 -1.423 -1.613 347 HG13 ILE 55 2HG1 ILE 55 14.402 -4.215 -0.946 348 HG21 ILE 55 1HG2 ILE 55 14.675 -2.096 -3.967 349 HG22 ILE 55 2HG2 ILE 55 16.226 -1.383 -3.454 350 HG23 ILE 55 3HG2 ILE 55 16.046 -3.139 -3.659 351 HD11 ILE 55 3HD1 ILE 55 12.799 -2.415 -0.373 352 HD12 ILE 55 1HD1 ILE 55 12.345 -2.308 -2.094 353 HD13 ILE 55 2HD1 ILE 55 12.027 -3.805 -1.175 354 H GLN 56 H GLN 56 16.131 -5.048 -0.793 355 HA GLN 56 HA GLN 56 18.682 -5.504 -2.254 356 HB3 GLN 56 2HB GLN 56 19.006 -7.511 -0.930 357 HG3 GLN 56 2HG GLN 56 18.902 -6.778 1.439 358 HE21 GLN 56 1HE2 GLN 56 19.567 -3.631 -0.188 359 HE22 GLN 56 2HE2 GLN 56 21.259 -3.852 -0.236 360 HA PRO 57 HA PRO 57 16.110 -7.853 -5.068 361 HB3 PRO 57 2HB PRO 57 17.904 -8.186 -6.396 362 HG3 PRO 57 2HG PRO 57 20.081 -8.319 -5.513 363 HD3 PRO 57 2HD PRO 57 19.337 -6.539 -4.110 364 H ALA 58 H ALA 58 17.638 -9.446 -2.262 365 HA ALA 58 HA ALA 58 15.971 -11.798 -2.441 366 HB1 ALA 58 1HB ALA 58 17.428 -10.588 -0.052 367 HB2 ALA 58 2HB ALA 58 16.823 -12.256 -0.192 368 HB3 ALA 58 3HB ALA 58 18.151 -11.697 -1.248 369 H ASP 59 H ASP 59 15.321 -8.553 -1.425 370 HA ASP 59 HA ASP 59 13.250 -9.318 0.516 371 HB3 ASP 59 2HB ASP 59 13.418 -6.480 -0.180 372 H VAL 60 H VAL 60 13.492 -8.665 -2.867 373 HA VAL 60 HA VAL 60 10.588 -8.062 -3.080 374 HB VAL 60 HB VAL 60 11.793 -6.835 -4.650 375 HG11 VAL 60 1HG1 VAL 60 13.322 -7.879 -6.319 376 HG12 VAL 60 2HG1 VAL 60 13.935 -7.892 -4.669 377 HG13 VAL 60 3HG1 VAL 60 13.263 -9.372 -5.441 378 HG21 VAL 60 3HG2 VAL 60 10.884 -9.229 -6.282 379 HG22 VAL 60 1HG2 VAL 60 9.760 -8.051 -5.564 380 HG23 VAL 60 2HG2 VAL 60 10.951 -7.539 -6.770 381 H SER 61 H SER 61 12.966 -10.676 -3.913 382 HA SER 61 HA SER 61 10.941 -12.597 -4.483 383 HB3 SER 61 2HB SER 61 12.740 -14.053 -4.785 384 HG SER 61 HG SER 61 13.238 -12.657 -6.384 385 H MET 62 H MET 62 10.825 -11.363 -1.668 386 HA MET 62 HA MET 62 10.361 -13.980 -0.351 387 HB3 MET 62 2HB MET 62 11.682 -12.495 1.095 388 HG3 MET 62 2HG MET 62 9.165 -10.785 1.217 389 HE1 MET 62 3HE MET 62 10.535 -11.051 4.961 390 HE2 MET 62 1HE MET 62 9.185 -11.459 3.880 391 HE3 MET 62 2HE MET 62 10.718 -12.349 3.758 392 H ILE 63 H ILE 63 9.071 -10.871 -1.625 393 HA ILE 63 HA ILE 63 6.582 -11.139 -0.390 394 HB ILE 63 HB ILE 63 7.500 -9.521 -2.799 395 HG13 ILE 63 2HG1 ILE 63 8.640 -9.201 -0.495 396 HG21 ILE 63 1HG2 ILE 63 5.546 -8.023 -2.301 397 HG22 ILE 63 2HG2 ILE 63 5.089 -9.607 -2.894 398 HG23 ILE 63 3HG2 ILE 63 4.945 -9.242 -1.158 399 HD11 ILE 63 3HD1 ILE 63 8.578 -6.787 -0.485 400 HD12 ILE 63 1HD1 ILE 63 8.773 -7.429 -2.126 401 HD13 ILE 63 2HD1 ILE 63 7.210 -6.788 -1.613 402 H LYS 64 H LYS 64 7.660 -12.400 -3.549 403 HA LYS 64 HA LYS 64 4.928 -13.084 -4.330 404 HB3 LYS 64 2HB LYS 64 5.728 -14.287 -6.119 405 HG3 LYS 64 2HG LYS 64 6.535 -11.714 -5.920 406 HD3 LYS 64 2HD LYS 64 9.039 -13.337 -6.519 407 HE3 LYS 64 2HE LYS 64 10.179 -11.150 -6.603 408 HZ1 LYS 64 3HZ LYS 64 8.018 -11.171 -8.614 409 HZ2 LYS 64 1HZ LYS 64 9.318 -12.195 -8.641 410 HZ3 LYS 64 2HZ LYS 64 9.553 -10.628 -8.804 411 H LYS 65 H LYS 65 7.293 -14.621 -2.217 412 HA LYS 65 HA LYS 65 5.933 -17.204 -2.195 413 HB3 LYS 65 2HB LYS 65 7.155 -17.441 0.001 414 HG3 LYS 65 2HG LYS 65 8.321 -17.534 -2.578 415 HD3 LYS 65 2HD LYS 65 10.009 -16.133 -0.483 416 HE3 LYS 65 2HE LYS 65 11.170 -17.652 -2.837 417 HZ1 LYS 65 3HZ LYS 65 13.174 -17.376 -1.521 418 HZ2 LYS 65 1HZ LYS 65 12.340 -16.631 -0.323 419 HZ3 LYS 65 2HZ LYS 65 12.476 -15.888 -1.788 420 H GLN 66 H GLN 66 5.350 -14.048 -0.870 421 HA GLN 66 HA GLN 66 3.466 -15.077 1.145 422 HB3 GLN 66 2HB GLN 66 3.333 -12.641 1.752 423 HG3 GLN 66 2HG GLN 66 4.802 -14.570 2.859 424 HE21 GLN 66 1HE2 GLN 66 6.594 -11.451 2.256 425 HE22 GLN 66 2HE2 GLN 66 8.098 -12.312 1.984 426 H GLY 67 H GLY 67 2.973 -15.577 -1.618 427 HA2 GLY 67 1HA GLY 67 1.108 -15.724 -2.825 428 HA3 GLY 67 2HA GLY 67 0.307 -15.032 -1.409 429 H THR 68 H THR 68 2.666 -13.229 -3.325 430 HA THR 68 HA THR 68 0.458 -11.349 -3.918 431 HB THR 68 HB THR 68 3.303 -10.868 -2.989 432 HG1 THR 68 1HG THR 68 1.936 -11.526 -1.336 433 HG21 THR 68 3HG2 THR 68 2.671 -8.511 -2.685 434 HG22 THR 68 1HG2 THR 68 1.128 -8.810 -3.514 435 HG23 THR 68 2HG2 THR 68 2.679 -8.943 -4.390 436 H THR 69 H THR 69 0.881 -9.794 -5.756 437 HA THR 69 HA THR 69 2.569 -10.958 -7.894 438 HB THR 69 HB THR 69 0.607 -10.324 -9.408 439 HG1 THR 69 1HG THR 69 -0.887 -9.430 -7.967 440 HG21 THR 69 3HG2 THR 69 0.303 -12.746 -7.589 441 HG22 THR 69 1HG2 THR 69 1.396 -12.627 -8.985 442 HG23 THR 69 2HG2 THR 69 -0.362 -12.532 -9.226 443 H LEU 70 H LEU 70 2.871 -9.397 -9.674 444 HA LEU 70 HA LEU 70 4.007 -7.009 -8.767 445 HB3 LEU 70 2HB LEU 70 3.080 -7.801 -11.574 446 HG LEU 70 HG LEU 70 3.651 -5.408 -11.637 447 HD11 LEU 70 1HD1 LEU 70 6.028 -4.747 -10.996 448 HD12 LEU 70 2HD1 LEU 70 6.132 -6.271 -10.091 449 HD13 LEU 70 3HD1 LEU 70 4.939 -5.037 -9.639 450 HD21 LEU 70 3HD2 LEU 70 4.464 -6.918 -13.454 451 HD22 LEU 70 1HD2 LEU 70 5.998 -7.120 -12.583 452 HD23 LEU 70 2HD2 LEU 70 5.527 -5.526 -13.207 453 H GLU 71 H GLU 71 0.758 -7.609 -10.117 454 HA GLU 71 HA GLU 71 -0.239 -5.034 -10.432 455 HB3 GLU 71 2HB GLU 71 -2.384 -6.138 -9.768 456 HG3 GLU 71 2HG GLU 71 -0.960 -8.079 -11.603 457 H MET 72 H MET 72 0.273 -6.837 -7.406 458 HA MET 72 HA MET 72 -1.282 -4.895 -5.831 459 HB3 MET 72 2HB MET 72 -0.089 -6.441 -3.987 460 HG3 MET 72 2HG MET 72 -2.634 -6.233 -4.908 461 HE1 MET 72 3HE MET 72 -0.806 -9.701 -4.762 462 HE2 MET 72 1HE MET 72 -2.366 -9.900 -3.942 463 HE3 MET 72 2HE MET 72 -2.045 -10.773 -5.454 464 H ILE 73 H ILE 73 1.956 -5.257 -7.030 465 HA ILE 73 HA ILE 73 2.996 -3.485 -4.915 466 HB ILE 73 HB ILE 73 4.421 -4.947 -7.151 467 HG13 ILE 73 2HG1 ILE 73 5.330 -6.302 -5.220 468 HG21 ILE 73 1HG2 ILE 73 5.559 -3.373 -4.796 469 HG22 ILE 73 2HG2 ILE 73 6.476 -4.327 -5.993 470 HG23 ILE 73 3HG2 ILE 73 5.614 -2.878 -6.489 471 HD11 ILE 73 3HD1 ILE 73 4.608 -4.873 -3.279 472 HD12 ILE 73 1HD1 ILE 73 2.916 -5.276 -3.642 473 HD13 ILE 73 2HD1 ILE 73 4.039 -6.543 -3.176 474 H THR 74 H THR 74 1.778 -3.374 -8.250 475 HA THR 74 HA THR 74 2.712 -0.614 -8.559 476 HB THR 74 HB THR 74 0.914 -0.683 -10.397 477 HG1 THR 74 1HG THR 74 0.968 -3.125 -11.018 478 HG21 THR 74 3HG2 THR 74 2.476 -1.668 -11.903 479 HG22 THR 74 1HG2 THR 74 3.289 -2.588 -10.607 480 HG23 THR 74 2HG2 THR 74 3.418 -0.816 -10.689 481 H ALA 75 H ALA 75 -0.448 -2.178 -7.578 482 HA ALA 75 HA ALA 75 -1.708 0.309 -7.861 483 HB1 ALA 75 1HB ALA 75 -2.915 -1.795 -7.809 484 HB2 ALA 75 2HB ALA 75 -2.629 -1.932 -6.045 485 HB3 ALA 75 3HB ALA 75 -3.594 -0.583 -6.710 486 H TRP 76 H TRP 76 -0.041 -0.849 -4.916 487 HA TRP 76 HA TRP 76 -1.032 1.482 -3.432 488 HB3 TRP 76 2HB TRP 76 0.128 0.651 -1.514 489 HD1 TRP 76 HD TRP 76 -0.809 -2.666 -3.132 490 HE1 TRP 76 1HE TRP 76 -3.102 -3.420 -2.193 491 HE3 TRP 76 3HE TRP 76 -1.958 1.461 -0.345 492 HZ2 TRP 76 2HZ TRP 76 -5.016 -2.437 -0.205 493 HZ3 TRP 76 3HZ TRP 76 -3.936 1.521 1.094 494 HH2 TRP 76 HH TRP 76 -5.477 -0.480 1.190 495 H GLN 77 H GLN 77 1.619 1.107 -5.794 496 HA GLN 77 HA GLN 77 3.295 2.831 -4.299 497 HB3 GLN 77 2HB GLN 77 4.159 1.376 -5.810 498 HG3 GLN 77 2HG GLN 77 2.484 2.255 -7.895 499 HE21 GLN 77 1HE2 GLN 77 5.744 3.164 -7.391 500 HE22 GLN 77 2HE2 GLN 77 5.301 4.533 -8.302 501 H ASP 78 H ASP 78 1.147 2.948 -7.060 502 HA ASP 78 HA ASP 78 1.296 5.692 -7.584 503 HB3 ASP 78 2HB ASP 78 -1.189 4.304 -8.438 504 H PHE 79 H PHE 79 -0.911 3.726 -5.705 505 HA PHE 79 HA PHE 79 -3.042 5.545 -5.281 506 HB3 PHE 79 2HB PHE 79 -1.875 3.428 -3.483 507 HD1 PHE 79 2HD PHE 79 -5.386 4.711 -3.925 508 HD2 PHE 79 1HD PHE 79 -2.111 4.001 -1.203 509 HE1 PHE 79 2HE PHE 79 -6.857 5.223 -2.012 510 HE2 PHE 79 1HE PHE 79 -3.587 4.547 0.711 511 HZ PHE 79 HZ PHE 79 -5.969 5.183 0.305 512 H TYR 80 H TYR 80 0.045 5.272 -3.462 513 HA TYR 80 HA TYR 80 -0.734 7.501 -1.696 514 HB3 TYR 80 2HB TYR 80 1.774 7.173 -0.975 515 HD1 TYR 80 2HD TYR 80 -0.131 7.391 0.901 516 HD2 TYR 80 1HD TYR 80 0.826 3.825 -1.222 517 HE1 TYR 80 2HE TYR 80 -0.973 6.059 2.818 518 HE2 TYR 80 1HE TYR 80 0.073 2.412 0.700 519 HH TYR 80 HH TYR 80 -1.053 2.525 2.942 520 H GLU 81 H GLU 81 1.298 7.034 -4.616 521 HA GLU 81 HA GLU 81 2.632 9.550 -4.646 522 HB3 GLU 81 2HB GLU 81 2.612 9.222 -7.125 523 HG3 GLU 81 2HG GLU 81 3.365 6.754 -5.535 524 H GLN 82 H GLN 82 -0.519 8.641 -5.719 525 HA GLN 82 HA GLN 82 -1.349 11.236 -6.609 526 HB3 GLN 82 2HB GLN 82 -3.677 10.003 -6.314 527 HG3 GLN 82 2HG GLN 82 -1.514 9.775 -8.262 528 HE21 GLN 82 1HE2 GLN 82 -1.076 7.584 -8.294 529 HE22 GLN 82 2HE2 GLN 82 -1.922 6.577 -9.391 530 H GLU 83 H GLU 83 -0.777 10.381 -3.469 531 HA GLU 83 HA GLU 83 -2.695 12.408 -2.378 532 HB3 GLU 83 2HB GLU 83 -2.331 11.381 -0.226 533 HG3 GLU 83 2HG GLU 83 -2.836 9.032 -0.597 534 H GLN 84 H GLN 84 0.427 12.037 -3.365 535 HA GLN 84 HA GLN 84 1.649 13.794 -1.279 536 HB3 GLN 84 2HB GLN 84 2.131 11.280 -1.906 537 HG3 GLN 84 2HG GLN 84 4.491 12.506 -3.269 538 HE21 GLN 84 1HE2 GLN 84 2.594 9.515 -2.343 539 HE22 GLN 84 2HE2 GLN 84 4.026 8.492 -2.476 540 H GLN 85 H GLN 85 1.472 13.109 -4.643 541 HA GLN 85 HA GLN 85 3.049 15.132 -5.746 542 HB3 GLN 85 2HB GLN 85 1.410 13.461 -6.948 543 HG3 GLN 85 2HG GLN 85 -0.032 15.584 -8.180 544 HE21 GLN 85 1HE2 GLN 85 -2.450 14.830 -6.270 545 HE22 GLN 85 2HE2 GLN 85 -2.864 13.209 -6.773 546 H ARG 86 H ARG 86 0.078 15.594 -4.066 547 HA ARG 86 HA ARG 86 -0.267 18.420 -4.634 548 HB3 ARG 86 2HB ARG 86 -2.144 16.969 -4.366 549 HG3 ARG 86 2HG ARG 86 -1.400 16.617 -1.434 550 HD3 ARG 86 2HD ARG 86 -3.791 15.575 -3.036 551 HE ARG 86 HE ARG 86 -3.721 14.065 -1.314 552 HH11 ARG 86 1HH1 ARG 86 -3.853 17.271 0.111 553 HH12 ARG 86 2HH1 ARG 86 -3.372 16.796 1.705 554 HH21 ARG 86 1HH2 ARG 86 -3.305 13.332 0.861 555 HH22 ARG 86 2HH2 ARG 86 -3.140 14.452 2.154 556 H ASN 87 H ASN 87 1.796 16.967 -2.437 557 HA ASN 87 HA ASN 87 1.996 19.362 -0.850 558 HB3 ASN 87 2HB ASN 87 0.401 18.197 0.518 559 HD21 ASN 87 1HD2 ASN 87 -0.519 16.299 1.412 560 HD22 ASN 87 2HD2 ASN 87 0.063 14.731 0.905 561 H GLU 88 H GLU 88 3.733 19.559 0.166 562 HA GLU 88 HA GLU 88 6.121 17.862 -0.490 563 HB3 GLU 88 2HB GLU 88 7.456 19.924 0.130 564 HG3 GLU 88 2HG GLU 88 6.895 21.230 -1.918 565 H ASN 89 H ASN 89 4.106 17.775 1.869 566 HA ASN 89 HA ASN 89 6.068 17.450 4.086 567 HB3 ASN 89 2HB ASN 89 5.432 19.673 4.409 568 HD21 ASN 89 1HD2 ASN 89 4.353 21.358 3.428 569 HD22 ASN 89 2HD2 ASN 89 2.756 21.266 2.786 570 H ASN 90 H ASN 90 4.666 15.436 2.463 571 HA ASN 90 HA ASN 90 3.372 14.132 4.777 572 HB3 ASN 90 2HB ASN 90 2.193 13.532 2.095 573 HD21 ASN 90 1HD2 ASN 90 0.973 11.736 2.585 574 HD22 ASN 90 2HD2 ASN 90 0.131 11.486 4.116 575 HA PRO 91 HA PRO 91 6.994 11.966 2.920 576 HB3 PRO 91 2HB PRO 91 8.465 12.738 4.546 577 HG3 PRO 91 2HG PRO 91 7.585 13.586 6.612 578 HD3 PRO 91 2HD PRO 91 6.379 14.606 4.890 579 H THR 92 H THR 92 4.563 10.921 5.381 580 HA THR 92 HA THR 92 5.349 8.228 5.613 581 HB THR 92 HB THR 92 2.524 9.338 5.654 582 HG1 THR 92 1HG THR 92 3.540 10.418 7.138 583 HG21 THR 92 3HG2 THR 92 2.489 6.884 5.638 584 HG22 THR 92 1HG2 THR 92 2.110 7.444 7.266 585 HG23 THR 92 2HG2 THR 92 3.739 6.831 6.910 586 H ALA 93 H ALA 93 3.132 9.751 3.251 587 HA ALA 93 HA ALA 93 2.652 7.438 1.620 588 HB1 ALA 93 1HB ALA 93 2.611 10.440 1.069 589 HB2 ALA 93 2HB ALA 93 1.935 9.208 -0.009 590 HB3 ALA 93 3HB ALA 93 1.236 9.444 1.607 591 H LYS 94 H LYS 94 4.993 10.108 1.528 592 HA LYS 94 HA LYS 94 6.049 9.485 -1.006 593 HB3 LYS 94 2HB LYS 94 7.487 11.123 1.095 594 HG3 LYS 94 2HG LYS 94 7.139 11.184 -1.888 595 HD3 LYS 94 2HD LYS 94 6.403 13.361 -1.210 596 HE3 LYS 94 2HE LYS 94 9.172 13.757 0.033 597 HZ1 LYS 94 3HZ LYS 94 6.788 15.479 -0.163 598 HZ2 LYS 94 1HZ LYS 94 8.180 15.705 -1.036 599 HZ3 LYS 94 2HZ LYS 94 8.175 15.883 0.606 600 H TYR 95 H TYR 95 6.861 7.962 1.962 601 HA TYR 95 HA TYR 95 9.377 6.904 0.726 602 HB3 TYR 95 2HB TYR 95 9.644 5.767 2.939 603 HD1 TYR 95 1HD TYR 95 11.278 7.624 1.569 604 HD2 TYR 95 2HD TYR 95 8.776 8.326 5.014 605 HE1 TYR 95 1HE TYR 95 12.645 9.576 2.161 606 HE2 TYR 95 2HE TYR 95 10.245 10.187 5.705 607 HH TYR 95 HH TYR 95 12.288 11.296 5.289 608 H ARG 96 H ARG 96 6.145 5.739 1.870 609 HA ARG 96 HA ARG 96 6.715 3.038 1.246 610 HB3 ARG 96 2HB ARG 96 5.068 3.544 2.821 611 HG3 ARG 96 2HG ARG 96 3.277 4.596 0.568 612 HD3 ARG 96 2HD ARG 96 2.110 3.588 2.466 613 HE ARG 96 HE ARG 96 3.899 5.329 4.047 614 HH11 ARG 96 1HH1 ARG 96 0.839 3.510 4.188 615 HH12 ARG 96 2HH1 ARG 96 1.178 2.774 5.721 616 HH21 ARG 96 1HH2 ARG 96 4.358 4.310 6.132 617 HH22 ARG 96 2HH2 ARG 96 3.236 3.200 6.779 618 H ALA 97 H ALA 97 5.117 5.581 -0.828 619 HA ALA 97 HA ALA 97 4.268 3.895 -2.874 620 HB1 ALA 97 1HB ALA 97 3.575 6.131 -3.049 621 HB2 ALA 97 2HB ALA 97 5.171 6.781 -2.646 622 HB3 ALA 97 3HB ALA 97 4.892 6.060 -4.235 623 H ARG 98 H ARG 98 7.256 5.879 -2.707 624 HA ARG 98 HA ARG 98 8.765 4.881 -4.659 625 HB3 ARG 98 2HB ARG 98 10.513 5.344 -2.401 626 HG3 ARG 98 2HG ARG 98 9.567 7.124 -4.669 627 HD3 ARG 98 2HD ARG 98 11.738 7.579 -2.595 628 HE ARG 98 HE ARG 98 11.606 8.485 -5.297 629 HH11 ARG 98 1HH1 ARG 98 12.141 9.842 -2.044 630 HH12 ARG 98 2HH1 ARG 98 13.160 11.130 -2.625 631 HH21 ARG 98 1HH2 ARG 98 13.051 10.281 -6.008 632 HH22 ARG 98 2HH2 ARG 98 13.742 11.269 -4.778 633 H LEU 99 H LEU 99 8.520 3.369 -1.431 634 HA LEU 99 HA LEU 99 10.461 1.312 -1.801 635 HB3 LEU 99 2HB LEU 99 8.083 1.652 0.015 636 HG LEU 99 HG LEU 99 8.207 -0.754 -0.153 637 HD11 LEU 99 1HD1 LEU 99 10.571 -0.992 -0.967 638 HD12 LEU 99 2HD1 LEU 99 10.174 -2.038 0.389 639 HD13 LEU 99 3HD1 LEU 99 11.138 -0.596 0.673 640 HD21 LEU 99 3HD2 LEU 99 7.806 0.273 2.029 641 HD22 LEU 99 1HD2 LEU 99 9.553 0.414 2.336 642 HD23 LEU 99 2HD2 LEU 99 8.800 -1.184 2.242 643 H MET 100 H MET 100 6.886 1.190 -2.217 644 HA MET 100 HA MET 100 6.790 -1.432 -3.274 645 HB3 MET 100 2HB MET 100 4.626 -0.702 -4.266 646 HG3 MET 100 2HG MET 100 3.427 -0.140 -2.261 647 HE1 MET 100 3HE MET 100 2.920 -2.766 -2.570 648 HE2 MET 100 1HE MET 100 3.241 -3.621 -1.052 649 HE3 MET 100 2HE MET 100 2.487 -2.013 -1.007 650 H LYS 101 H LYS 101 7.240 1.694 -5.025 651 HA LYS 101 HA LYS 101 7.433 0.733 -7.636 652 HB3 LYS 101 2HB LYS 101 9.218 2.860 -6.576 653 HG3 LYS 101 2HG LYS 101 8.168 1.858 -9.265 654 HD3 LYS 101 2HD LYS 101 8.871 4.595 -8.387 655 HE3 LYS 101 2HE LYS 101 10.393 4.154 -10.247 656 HZ1 LYS 101 3HZ LYS 101 7.991 3.089 -11.598 657 HZ2 LYS 101 1HZ LYS 101 9.503 2.406 -11.463 658 HZ3 LYS 101 2HZ LYS 101 9.277 3.670 -12.454 659 H LYS 102 H LYS 102 10.263 0.959 -5.334 660 HA LYS 102 HA LYS 102 12.118 -0.230 -7.104 661 HB3 LYS 102 2HB LYS 102 13.227 -0.926 -4.912 662 HG3 LYS 102 2HG LYS 102 12.736 2.019 -5.169 663 HD3 LYS 102 2HD LYS 102 14.523 0.711 -3.632 664 HE3 LYS 102 2HE LYS 102 15.791 -0.322 -5.507 665 HZ1 LYS 102 3HZ LYS 102 15.920 0.898 -7.357 666 HZ2 LYS 102 1HZ LYS 102 17.168 1.699 -6.615 667 HZ3 LYS 102 2HZ LYS 102 15.686 2.352 -6.590 668 H ILE 103 H ILE 103 9.753 -1.844 -4.944 669 HA ILE 103 HA ILE 103 10.915 -4.471 -5.242 670 HB ILE 103 HB ILE 103 8.133 -3.488 -4.499 671 HG13 ILE 103 2HG1 ILE 103 10.204 -3.013 -2.985 672 HG21 ILE 103 1HG2 ILE 103 8.090 -5.823 -5.423 673 HG22 ILE 103 2HG2 ILE 103 9.235 -6.302 -4.160 674 HG23 ILE 103 3HG2 ILE 103 7.603 -5.725 -3.739 675 HD11 ILE 103 3HD1 ILE 103 7.842 -4.533 -1.832 676 HD12 ILE 103 1HD1 ILE 103 9.055 -3.623 -0.912 677 HD13 ILE 103 2HD1 ILE 103 7.991 -2.781 -2.052 678 H ALA 104 H ALA 104 8.356 -2.668 -7.084 679 HA ALA 104 HA ALA 104 7.818 -4.750 -8.972 680 HB1 ALA 104 1HB ALA 104 7.631 -1.712 -9.143 681 HB2 ALA 104 2HB ALA 104 6.925 -2.810 -10.324 682 HB3 ALA 104 3HB ALA 104 6.320 -2.810 -8.663 683 H ASP 105 H ASP 105 10.359 -2.374 -8.740 684 HA ASP 105 HA ASP 105 11.163 -2.290 -11.470 685 HB3 ASP 105 2HB ASP 105 13.039 -1.855 -9.141 686 H LEU 106 H LEU 106 11.895 -4.394 -8.807 687 HA LEU 106 HA LEU 106 14.057 -5.842 -10.169 688 HB3 LEU 106 2HB LEU 106 14.236 -6.911 -7.933 689 HG LEU 106 HG LEU 106 14.300 -3.890 -7.974 690 HD11 LEU 106 1HD1 LEU 106 13.559 -4.535 -5.689 691 HD12 LEU 106 2HD1 LEU 106 15.185 -3.851 -5.731 692 HD13 LEU 106 3HD1 LEU 106 14.967 -5.611 -5.539 693 HD21 LEU 106 3HD2 LEU 106 16.084 -5.141 -9.068 694 HD22 LEU 106 1HD2 LEU 106 16.393 -6.075 -7.582 695 HD23 LEU 106 2HD2 LEU 106 16.686 -4.317 -7.615 696 H TRP 107 H TRP 107 10.827 -6.100 -10.499 697 HA TRP 107 HA TRP 107 10.221 -8.358 -9.148 698 HB3 TRP 107 2HB TRP 107 8.737 -7.568 -11.680 699 HD1 TRP 107 HD TRP 107 7.092 -9.587 -11.885 700 HE1 TRP 107 1HE TRP 107 5.373 -10.710 -10.360 701 HE3 TRP 107 3HE TRP 107 8.281 -7.215 -7.516 702 HZ2 TRP 107 2HZ TRP 107 4.585 -10.565 -7.593 703 HZ3 TRP 107 3HZ TRP 107 7.063 -7.823 -5.401 704 HH2 TRP 107 HH TRP 107 5.183 -9.418 -5.454
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