NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
503727 | 1x4i | 11353 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 9.835 19.243 16.406 2 HA2 GLY 1 1HA GLY 1 7.759 18.626 14.500 3 HA3 GLY 1 2HA GLY 1 8.612 20.122 14.148 4 H SER 2 H SER 2 8.473 17.075 13.204 5 HA SER 2 HA SER 2 11.379 16.725 12.929 6 HB2 SER 2 1HB SER 2 9.089 14.766 12.722 7 HB3 SER 2 2HB SER 2 10.734 14.369 12.226 8 HG SER 2 HG SER 2 11.251 15.169 14.479 9 H SER 3 H SER 3 12.174 17.497 11.096 10 HA SER 3 HA SER 3 10.642 17.075 8.616 11 HB2 SER 3 1HB SER 3 12.236 19.524 9.403 12 HB3 SER 3 2HB SER 3 11.593 19.236 7.786 13 HG SER 3 HG SER 3 9.802 19.022 9.900 14 H GLY 4 H GLY 4 12.021 17.133 6.643 15 HA2 GLY 4 1HA GLY 4 14.496 17.099 6.013 16 HA3 GLY 4 2HA GLY 4 14.602 15.829 7.223 17 H SER 5 H SER 5 12.607 14.177 6.806 18 HA SER 5 HA SER 5 13.181 13.105 4.159 19 HB2 SER 5 1HB SER 5 12.396 11.022 4.967 20 HB3 SER 5 2HB SER 5 13.271 11.734 6.322 21 HG SER 5 HG SER 5 10.464 11.664 5.926 22 H SER 6 H SER 6 11.631 12.614 2.621 23 HA SER 6 HA SER 6 9.285 14.289 2.674 24 HB2 SER 6 1HB SER 6 10.869 13.634 0.654 25 HB3 SER 6 2HB SER 6 9.748 12.280 0.510 26 HG SER 6 HG SER 6 9.314 14.421 -0.627 27 H GLY 7 H GLY 7 9.992 11.191 3.732 28 HA2 GLY 7 1HA GLY 7 8.716 9.349 4.270 29 HA3 GLY 7 2HA GLY 7 7.524 10.559 4.720 30 H TYR 8 H TYR 8 8.439 8.164 2.422 31 HA TYR 8 HA TYR 8 5.957 8.684 0.919 32 HB2 TYR 8 1HB TYR 8 8.692 7.951 -0.004 33 HB3 TYR 8 2HB TYR 8 7.325 7.267 -0.877 34 HD1 TYR 8 1HD TYR 8 9.127 10.349 -0.043 35 HD2 TYR 8 2HD TYR 8 5.860 8.677 -2.197 36 HE1 TYR 8 1HE TYR 8 8.905 12.440 -1.319 37 HE2 TYR 8 2HE TYR 8 5.630 10.763 -3.479 38 HH TYR 8 HH TYR 8 7.833 13.499 -2.947 39 H CYS 9 H CYS 9 8.261 5.978 1.178 40 HA CYS 9 HA CYS 9 6.449 3.928 0.837 41 HB2 CYS 9 1HB CYS 9 8.891 3.618 0.828 42 HB3 CYS 9 2HB CYS 9 8.931 3.892 2.567 43 H ILE 10 H ILE 10 5.697 2.321 2.447 44 HA ILE 10 HA ILE 10 3.985 3.434 4.319 45 HB ILE 10 HB ILE 10 3.925 1.106 5.339 46 HG12 ILE 10 1HG1 ILE 10 5.563 0.309 2.944 47 HG13 ILE 10 2HG1 ILE 10 6.329 0.658 4.490 48 HG21 ILE 10 1HG2 ILE 10 2.208 1.134 3.913 49 HG22 ILE 10 2HG2 ILE 10 3.132 2.003 2.689 50 HG23 ILE 10 3HG2 ILE 10 3.260 0.248 2.809 51 HD11 ILE 10 1HD1 ILE 10 5.854 -1.757 4.027 52 HD12 ILE 10 2HD1 ILE 10 5.207 -1.136 5.546 53 HD13 ILE 10 3HD1 ILE 10 4.139 -1.370 4.163 54 H CYS 11 H CYS 11 7.331 2.521 4.631 55 HA CYS 11 HA CYS 11 7.376 2.590 7.498 56 HB2 CYS 11 1HB CYS 11 9.830 2.471 7.231 57 HB3 CYS 11 2HB CYS 11 8.999 1.237 6.289 58 H ASN 12 H ASN 12 6.709 4.978 5.506 59 HA ASN 12 HA ASN 12 6.869 7.248 5.534 60 HB2 ASN 12 1HB ASN 12 7.268 6.463 8.387 61 HB3 ASN 12 2HB ASN 12 7.544 8.143 7.937 62 HD21 ASN 12 1HD2 ASN 12 5.740 9.061 6.516 63 HD22 ASN 12 2HD2 ASN 12 4.129 8.719 7.039 64 H GLN 13 H GLN 13 9.075 6.026 4.452 65 HA GLN 13 HA GLN 13 11.264 7.775 5.360 66 HB2 GLN 13 1HB GLN 13 11.462 4.972 4.248 67 HB3 GLN 13 2HB GLN 13 12.838 6.024 4.550 68 HG2 GLN 13 1HG GLN 13 10.967 5.503 6.791 69 HG3 GLN 13 2HG GLN 13 12.054 4.208 6.293 70 HE21 GLN 13 1HE2 GLN 13 11.989 7.607 7.244 71 HE22 GLN 13 2HE2 GLN 13 13.546 7.612 7.994 72 H VAL 14 H VAL 14 12.820 8.354 3.662 73 HA VAL 14 HA VAL 14 11.602 9.484 1.433 74 HB VAL 14 HB VAL 14 13.926 9.721 0.510 75 HG11 VAL 14 1HG1 VAL 14 14.689 11.238 2.278 76 HG12 VAL 14 2HG1 VAL 14 12.960 11.413 1.970 77 HG13 VAL 14 3HG1 VAL 14 13.519 10.527 3.389 78 HG21 VAL 14 1HG2 VAL 14 15.511 9.085 2.679 79 HG22 VAL 14 2HG2 VAL 14 14.425 7.702 2.541 80 HG23 VAL 14 3HG2 VAL 14 15.412 8.189 1.164 81 H SER 15 H SER 15 12.070 9.036 -0.866 82 HA SER 15 HA SER 15 11.636 6.216 -1.418 83 HB2 SER 15 1HB SER 15 11.475 8.696 -3.135 84 HB3 SER 15 2HB SER 15 11.263 7.069 -3.780 85 HG SER 15 HG SER 15 9.273 7.276 -3.164 86 H TYR 16 H TYR 16 13.678 5.323 -1.057 87 HA TYR 16 HA TYR 16 15.710 6.056 -3.062 88 HB2 TYR 16 1HB TYR 16 17.450 5.558 -1.498 89 HB3 TYR 16 2HB TYR 16 16.319 6.637 -0.688 90 HD1 TYR 16 1HD TYR 16 17.495 3.147 -0.914 91 HD2 TYR 16 2HD TYR 16 15.109 5.931 1.244 92 HE1 TYR 16 1HE TYR 16 17.281 1.528 0.925 93 HE2 TYR 16 2HE TYR 16 14.889 4.320 3.089 94 HH TYR 16 HH TYR 16 16.816 1.735 3.515 95 H GLY 17 H GLY 17 17.394 4.126 -3.179 96 HA2 GLY 17 1HA GLY 17 17.718 2.033 -4.073 97 HA3 GLY 17 2HA GLY 17 16.714 1.494 -2.735 98 H GLU 18 H GLU 18 16.456 -0.077 -4.758 99 HA GLU 18 HA GLU 18 14.789 0.629 -6.881 100 HB2 GLU 18 1HB GLU 18 15.496 -1.934 -5.530 101 HB3 GLU 18 2HB GLU 18 14.139 -1.933 -6.648 102 HG2 GLU 18 1HG GLU 18 15.894 -0.698 -8.197 103 HG3 GLU 18 2HG GLU 18 17.032 -1.569 -7.171 104 H MET 19 H MET 19 12.821 1.472 -6.771 105 HA MET 19 HA MET 19 10.990 0.492 -4.680 106 HB2 MET 19 1HB MET 19 11.190 3.222 -5.954 107 HB3 MET 19 2HB MET 19 9.834 2.718 -4.954 108 HG2 MET 19 1HG MET 19 11.761 2.142 -3.248 109 HG3 MET 19 2HG MET 19 12.628 3.353 -4.189 110 HE1 MET 19 1HE MET 19 9.687 2.760 -1.566 111 HE2 MET 19 2HE MET 19 8.663 4.136 -1.977 112 HE3 MET 19 3HE MET 19 8.939 2.856 -3.161 113 H VAL 20 H VAL 20 8.817 0.141 -5.236 114 HA VAL 20 HA VAL 20 8.351 -0.158 -8.131 115 HB VAL 20 HB VAL 20 8.374 -2.309 -7.029 116 HG11 VAL 20 1HG1 VAL 20 7.002 -2.890 -5.186 117 HG12 VAL 20 2HG1 VAL 20 7.785 -1.366 -4.763 118 HG13 VAL 20 3HG1 VAL 20 6.102 -1.377 -5.290 119 HG21 VAL 20 1HG2 VAL 20 6.082 -1.226 -8.384 120 HG22 VAL 20 2HG2 VAL 20 6.799 -2.832 -8.510 121 HG23 VAL 20 3HG2 VAL 20 5.590 -2.501 -7.270 122 H GLY 21 H GLY 21 7.098 1.434 -8.863 123 HA2 GLY 21 1HA GLY 21 5.339 2.942 -7.208 124 HA3 GLY 21 2HA GLY 21 5.449 3.036 -8.960 125 H CYS 22 H CYS 22 3.376 2.429 -6.534 126 HA CYS 22 HA CYS 22 2.007 0.108 -7.156 127 HB2 CYS 22 1HB CYS 22 1.553 1.565 -5.189 128 HB3 CYS 22 2HB CYS 22 0.769 2.719 -6.262 129 H ASP 23 H ASP 23 0.660 -0.530 -8.730 130 HA ASP 23 HA ASP 23 0.550 0.731 -11.193 131 HB2 ASP 23 1HB ASP 23 0.031 -1.577 -11.126 132 HB3 ASP 23 2HB ASP 23 -1.236 -1.339 -9.926 133 H ASN 24 H ASN 24 -1.569 1.055 -8.418 134 HA ASN 24 HA ASN 24 -3.538 2.605 -9.836 135 HB2 ASN 24 1HB ASN 24 -3.937 1.125 -7.774 136 HB3 ASN 24 2HB ASN 24 -3.249 2.450 -6.840 137 HD21 ASN 24 1HD2 ASN 24 -5.149 2.858 -5.751 138 HD22 ASN 24 2HD2 ASN 24 -6.523 3.577 -6.512 139 H GLN 25 H GLN 25 -2.809 4.504 -10.614 140 HA GLN 25 HA GLN 25 -0.837 6.129 -9.513 141 HB2 GLN 25 1HB GLN 25 -3.026 6.522 -11.487 142 HB3 GLN 25 2HB GLN 25 -2.265 7.964 -10.828 143 HG2 GLN 25 1HG GLN 25 -1.305 7.120 -12.979 144 HG3 GLN 25 2HG GLN 25 -0.148 7.348 -11.669 145 HE21 GLN 25 1HE2 GLN 25 -1.471 5.180 -13.911 146 HE22 GLN 25 2HE2 GLN 25 -0.643 3.756 -13.389 147 H ASP 26 H ASP 26 -4.216 5.842 -8.740 148 HA ASP 26 HA ASP 26 -4.564 8.288 -7.385 149 HB2 ASP 26 1HB ASP 26 -5.963 5.681 -6.768 150 HB3 ASP 26 2HB ASP 26 -6.552 7.309 -6.445 151 H CYS 27 H CYS 27 -2.909 5.401 -6.533 152 HA CYS 27 HA CYS 27 -3.047 5.294 -3.796 153 HB2 CYS 27 1HB CYS 27 -1.684 3.862 -5.499 154 HB3 CYS 27 2HB CYS 27 -0.388 5.004 -5.157 155 HA PRO 28 HA PRO 28 -1.460 9.177 -2.407 156 HB2 PRO 28 1HB PRO 28 -1.092 8.500 0.197 157 HB3 PRO 28 2HB PRO 28 -2.687 8.810 -0.499 158 HG2 PRO 28 1HG PRO 28 -1.327 6.197 0.031 159 HG3 PRO 28 2HG PRO 28 -3.014 6.659 0.322 160 HD2 PRO 28 1HD PRO 28 -2.255 5.198 -1.827 161 HD3 PRO 28 2HD PRO 28 -3.614 6.339 -1.880 162 H ILE 29 H ILE 29 0.244 6.172 -2.198 163 HA ILE 29 HA ILE 29 2.748 7.588 -1.576 164 HB ILE 29 HB ILE 29 2.291 4.607 -1.494 165 HG12 ILE 29 1HG1 ILE 29 2.328 6.531 0.839 166 HG13 ILE 29 2HG1 ILE 29 0.858 5.869 0.134 167 HG21 ILE 29 1HG2 ILE 29 4.601 5.144 -1.751 168 HG22 ILE 29 2HG2 ILE 29 4.508 6.390 -0.507 169 HG23 ILE 29 3HG2 ILE 29 4.345 4.690 -0.066 170 HD11 ILE 29 1HD1 ILE 29 1.480 4.657 2.132 171 HD12 ILE 29 2HD1 ILE 29 1.612 3.615 0.714 172 HD13 ILE 29 3HD1 ILE 29 3.064 4.298 1.445 173 H GLU 30 H GLU 30 1.508 4.946 -3.626 174 HA GLU 30 HA GLU 30 2.196 4.142 -5.646 175 HB2 GLU 30 1HB GLU 30 1.353 6.504 -6.163 176 HB3 GLU 30 2HB GLU 30 3.046 6.965 -6.261 177 HG2 GLU 30 1HG GLU 30 3.126 4.895 -7.911 178 HG3 GLU 30 2HG GLU 30 1.421 5.302 -8.093 179 H TRP 31 H TRP 31 4.187 4.335 -3.444 180 HA TRP 31 HA TRP 31 6.476 3.549 -4.966 181 HB2 TRP 31 1HB TRP 31 6.576 6.137 -3.408 182 HB3 TRP 31 2HB TRP 31 8.013 5.252 -3.914 183 HD1 TRP 31 HD TRP 31 5.434 7.683 -5.163 184 HE1 TRP 31 1HE TRP 31 5.941 8.300 -7.610 185 HE3 TRP 31 3HE TRP 31 9.008 4.166 -6.163 186 HZ2 TRP 31 2HZ TRP 31 7.632 7.413 -9.689 187 HZ3 TRP 31 3HZ TRP 31 10.020 4.118 -8.405 188 HH2 TRP 31 HH TRP 31 9.345 5.708 -10.130 189 H PHE 32 H PHE 32 6.829 1.716 -3.882 190 HA PHE 32 HA PHE 32 7.210 1.900 -0.970 191 HB2 PHE 32 1HB PHE 32 5.930 -0.413 -2.441 192 HB3 PHE 32 2HB PHE 32 6.217 -0.319 -0.706 193 HD1 PHE 32 1HD PHE 32 4.514 1.590 -3.420 194 HD2 PHE 32 2HD PHE 32 4.482 0.335 0.647 195 HE1 PHE 32 1HE PHE 32 2.309 2.638 -3.118 196 HE2 PHE 32 2HE PHE 32 2.276 1.380 0.955 197 HZ PHE 32 HZ PHE 32 1.186 2.532 -0.928 198 H HIS 33 H HIS 33 8.880 0.703 -0.102 199 HA HIS 33 HA HIS 33 11.047 0.104 -1.838 200 HB2 HIS 33 1HB HIS 33 10.691 -0.581 1.088 201 HB3 HIS 33 2HB HIS 33 12.211 -0.626 0.198 202 HD2 HIS 33 2HD HIS 33 11.665 2.396 -1.251 203 HE1 HIS 33 1HE HIS 33 11.914 3.691 2.782 204 HE2 HIS 33 2HE HIS 33 11.927 4.399 0.365 205 H TYR 34 H TYR 34 12.114 -1.936 -2.107 206 HA TYR 34 HA TYR 34 10.295 -4.058 -2.680 207 HB2 TYR 34 1HB TYR 34 13.247 -3.654 -2.940 208 HB3 TYR 34 2HB TYR 34 12.599 -5.286 -3.063 209 HD1 TYR 34 2HD TYR 34 10.835 -2.261 -4.229 210 HD2 TYR 34 1HD TYR 34 13.134 -5.658 -5.357 211 HE1 TYR 34 2HE TYR 34 10.269 -1.853 -6.587 212 HE2 TYR 34 1HE TYR 34 12.575 -5.259 -7.719 213 HH TYR 34 HH TYR 34 10.666 -2.441 -8.704 214 H GLY 35 H GLY 35 12.654 -3.420 -0.144 215 HA2 GLY 35 1HA GLY 35 12.454 -6.033 1.026 216 HA3 GLY 35 2HA GLY 35 13.232 -4.628 1.738 217 H CYS 36 H CYS 36 10.720 -3.041 1.367 218 HA CYS 36 HA CYS 36 9.561 -3.680 3.912 219 HB2 CYS 36 1HB CYS 36 9.120 -1.544 1.854 220 HB3 CYS 36 2HB CYS 36 7.947 -1.768 3.148 221 H VAL 37 H VAL 37 8.560 -3.925 0.537 222 HA VAL 37 HA VAL 37 5.987 -5.060 1.309 223 HB VAL 37 HB VAL 37 5.375 -4.956 -0.999 224 HG11 VAL 37 1HG1 VAL 37 5.911 -2.534 -1.527 225 HG12 VAL 37 2HG1 VAL 37 5.151 -2.846 0.035 226 HG13 VAL 37 3HG1 VAL 37 6.885 -2.531 -0.057 227 HG21 VAL 37 1HG2 VAL 37 8.278 -4.345 -1.541 228 HG22 VAL 37 2HG2 VAL 37 7.388 -5.789 -2.026 229 HG23 VAL 37 3HG2 VAL 37 6.989 -4.226 -2.738 230 H GLY 38 H GLY 38 9.114 -6.057 0.222 231 HA2 GLY 38 1HA GLY 38 9.946 -8.246 0.348 232 HA3 GLY 38 2HA GLY 38 8.297 -8.842 0.462 233 H LEU 39 H LEU 39 10.480 -7.231 -1.844 234 HA LEU 39 HA LEU 39 9.426 -9.015 -3.931 235 HB2 LEU 39 1HB LEU 39 9.659 -6.050 -3.939 236 HB3 LEU 39 2HB LEU 39 9.974 -6.916 -5.441 237 HG LEU 39 HG LEU 39 7.415 -7.193 -3.874 238 HD11 LEU 39 1HD1 LEU 39 7.628 -4.882 -4.548 239 HD12 LEU 39 2HD1 LEU 39 6.430 -5.690 -5.558 240 HD13 LEU 39 3HD1 LEU 39 8.044 -5.370 -6.192 241 HD21 LEU 39 1HD2 LEU 39 7.992 -7.801 -6.766 242 HD22 LEU 39 2HD2 LEU 39 6.556 -8.226 -5.833 243 HD23 LEU 39 3HD2 LEU 39 8.100 -9.002 -5.479 244 H THR 40 H THR 40 11.344 -10.261 -3.410 245 HA THR 40 HA THR 40 13.951 -9.535 -3.393 246 HB THR 40 HB THR 40 14.538 -11.714 -4.323 247 HG1 THR 40 1HG THR 40 11.875 -11.606 -5.243 248 HG21 THR 40 1HG2 THR 40 12.521 -12.954 -2.905 249 HG22 THR 40 2HG2 THR 40 12.569 -11.335 -2.206 250 HG23 THR 40 3HG2 THR 40 14.026 -12.329 -2.230 251 H GLU 41 H GLU 41 11.821 -9.514 -6.147 252 HA GLU 41 HA GLU 41 13.730 -7.987 -7.666 253 HB2 GLU 41 1HB GLU 41 13.971 -9.448 -9.526 254 HB3 GLU 41 2HB GLU 41 14.351 -10.395 -8.094 255 HG2 GLU 41 1HG GLU 41 11.569 -10.436 -9.144 256 HG3 GLU 41 2HG GLU 41 12.817 -11.352 -9.987 257 H ALA 42 H ALA 42 12.808 -7.075 -9.610 258 HA ALA 42 HA ALA 42 10.339 -5.966 -9.357 259 HB1 ALA 42 1HB ALA 42 10.949 -6.574 -12.148 260 HB2 ALA 42 2HB ALA 42 10.768 -5.018 -11.337 261 HB3 ALA 42 3HB ALA 42 12.304 -5.880 -11.257 262 HA PRO 43 HA PRO 43 7.436 -9.256 -9.899 263 HB2 PRO 43 1HB PRO 43 5.221 -7.725 -10.247 264 HB3 PRO 43 2HB PRO 43 5.988 -7.961 -8.672 265 HG2 PRO 43 1HG PRO 43 6.230 -5.659 -10.570 266 HG3 PRO 43 2HG PRO 43 6.045 -5.640 -8.807 267 HD2 PRO 43 1HD PRO 43 8.437 -5.283 -10.024 268 HD3 PRO 43 2HD PRO 43 8.279 -6.072 -8.442 269 H LYS 44 H LYS 44 7.252 -10.430 -11.691 270 HA LYS 44 HA LYS 44 7.622 -9.549 -14.289 271 HB2 LYS 44 1HB LYS 44 6.453 -11.988 -13.051 272 HB3 LYS 44 2HB LYS 44 6.140 -11.725 -14.762 273 HG2 LYS 44 1HG LYS 44 8.051 -12.933 -14.922 274 HG3 LYS 44 2HG LYS 44 8.754 -11.319 -14.804 275 HD2 LYS 44 1HD LYS 44 8.220 -12.808 -12.284 276 HD3 LYS 44 2HD LYS 44 9.587 -13.316 -13.279 277 HE2 LYS 44 1HE LYS 44 10.638 -11.221 -13.089 278 HE3 LYS 44 2HE LYS 44 9.170 -10.447 -12.494 279 HZ1 LYS 44 1HZ LYS 44 9.840 -12.540 -10.757 280 HZ2 LYS 44 2HZ LYS 44 9.814 -10.879 -10.437 281 HZ3 LYS 44 3HZ LYS 44 11.230 -11.609 -11.008 282 H GLY 45 H GLY 45 4.533 -10.236 -12.644 283 HA2 GLY 45 1HA GLY 45 3.080 -9.001 -14.855 284 HA3 GLY 45 2HA GLY 45 2.371 -9.865 -13.499 285 H LYS 46 H LYS 46 0.873 -8.262 -13.038 286 HA LYS 46 HA LYS 46 1.780 -5.565 -12.486 287 HB2 LYS 46 1HB LYS 46 -0.930 -6.888 -12.359 288 HB3 LYS 46 2HB LYS 46 -0.658 -5.215 -11.892 289 HG2 LYS 46 1HG LYS 46 0.125 -6.229 -14.601 290 HG3 LYS 46 2HG LYS 46 -1.517 -5.682 -14.251 291 HD2 LYS 46 1HD LYS 46 -0.701 -3.497 -13.628 292 HD3 LYS 46 2HD LYS 46 0.971 -4.031 -13.813 293 HE2 LYS 46 1HE LYS 46 0.368 -2.782 -15.762 294 HE3 LYS 46 2HE LYS 46 0.487 -4.481 -16.216 295 HZ1 LYS 46 1HZ LYS 46 -1.875 -2.764 -16.043 296 HZ2 LYS 46 2HZ LYS 46 -2.066 -4.402 -15.667 297 HZ3 LYS 46 3HZ LYS 46 -1.481 -3.947 -17.187 298 H TRP 47 H TRP 47 2.170 -4.709 -10.531 299 HA TRP 47 HA TRP 47 1.631 -6.398 -8.176 300 HB2 TRP 47 1HB TRP 47 4.021 -6.246 -8.598 301 HB3 TRP 47 2HB TRP 47 3.926 -4.488 -8.662 302 HD1 TRP 47 HD TRP 47 4.140 -7.382 -6.226 303 HE1 TRP 47 1HE TRP 47 4.449 -6.459 -3.843 304 HE3 TRP 47 3HE TRP 47 3.305 -2.426 -7.160 305 HZ2 TRP 47 2HZ TRP 47 4.351 -3.961 -2.533 306 HZ3 TRP 47 3HZ TRP 47 3.431 -0.835 -5.288 307 HH2 TRP 47 HH TRP 47 3.943 -1.589 -3.022 308 H TYR 48 H TYR 48 0.425 -5.551 -6.598 309 HA TYR 48 HA TYR 48 -0.068 -2.645 -6.641 310 HB2 TYR 48 1HB TYR 48 -1.996 -4.902 -6.085 311 HB3 TYR 48 2HB TYR 48 -2.346 -3.220 -5.704 312 HD1 TYR 48 2HD TYR 48 -1.706 -5.595 -8.458 313 HD2 TYR 48 1HD TYR 48 -3.010 -1.686 -7.400 314 HE1 TYR 48 2HE TYR 48 -2.526 -5.254 -10.752 315 HE2 TYR 48 1HE TYR 48 -3.834 -1.334 -9.690 316 HH TYR 48 HH TYR 48 -4.651 -3.075 -11.639 317 H CYS 49 H CYS 49 0.509 -1.613 -4.854 318 HA CYS 49 HA CYS 49 1.802 -2.670 -2.701 319 HB2 CYS 49 1HB CYS 49 1.544 -0.597 -1.618 320 HB3 CYS 49 2HB CYS 49 1.448 -0.206 -3.332 321 HA PRO 50 HA PRO 50 -1.065 -4.746 -0.108 322 HB2 PRO 50 1HB PRO 50 -0.067 -4.186 2.354 323 HB3 PRO 50 2HB PRO 50 0.720 -5.299 1.229 324 HG2 PRO 50 1HG PRO 50 1.347 -2.429 1.804 325 HG3 PRO 50 2HG PRO 50 2.457 -3.796 1.593 326 HD2 PRO 50 1HD PRO 50 1.966 -2.001 -0.374 327 HD3 PRO 50 2HD PRO 50 2.331 -3.706 -0.707 328 H GLN 51 H GLN 51 -0.736 -1.357 -0.013 329 HA GLN 51 HA GLN 51 -2.725 -0.893 2.024 330 HB2 GLN 51 1HB GLN 51 -1.063 0.815 0.230 331 HB3 GLN 51 2HB GLN 51 -2.525 1.508 0.918 332 HG2 GLN 51 1HG GLN 51 -1.734 1.087 3.149 333 HG3 GLN 51 2HG GLN 51 -0.320 0.240 2.524 334 HE21 GLN 51 1HE2 GLN 51 -1.825 3.263 1.478 335 HE22 GLN 51 2HE2 GLN 51 -0.435 4.253 1.745 336 H CYS 52 H CYS 52 -2.611 -1.180 -1.445 337 HA CYS 52 HA CYS 52 -5.311 -0.159 -1.777 338 HB2 CYS 52 1HB CYS 52 -3.188 -1.146 -3.663 339 HB3 CYS 52 2HB CYS 52 -4.847 -0.929 -4.209 340 H THR 53 H THR 53 -3.631 -3.212 -2.547 341 HA THR 53 HA THR 53 -5.724 -4.779 -3.293 342 HB THR 53 HB THR 53 -3.484 -5.678 -1.471 343 HG1 THR 53 1HG THR 53 -2.287 -5.289 -3.164 344 HG21 THR 53 1HG2 THR 53 -4.456 -7.552 -3.472 345 HG22 THR 53 2HG2 THR 53 -5.707 -7.093 -2.317 346 HG23 THR 53 3HG2 THR 53 -4.189 -7.784 -1.744 347 H ALA 54 H ALA 54 -4.940 -3.718 -0.051 348 HA ALA 54 HA ALA 54 -6.726 -5.485 1.298 349 HB1 ALA 54 1HB ALA 54 -5.036 -3.181 2.030 350 HB2 ALA 54 2HB ALA 54 -6.433 -3.483 3.063 351 HB3 ALA 54 3HB ALA 54 -5.228 -4.747 2.818 352 H ALA 55 H ALA 55 -6.971 -2.201 0.037 353 HA ALA 55 HA ALA 55 -9.584 -1.739 1.129 354 HB1 ALA 55 1HB ALA 55 -9.479 0.204 -0.602 355 HB2 ALA 55 2HB ALA 55 -8.437 0.237 0.821 356 HB3 ALA 55 3HB ALA 55 -7.783 -0.261 -0.739 357 H MET 56 H MET 56 -8.296 -2.561 -2.075 358 HA MET 56 HA MET 56 -10.741 -2.509 -3.457 359 HB2 MET 56 1HB MET 56 -8.226 -4.097 -3.990 360 HB3 MET 56 2HB MET 56 -9.570 -3.968 -5.116 361 HG2 MET 56 1HG MET 56 -9.234 -1.484 -5.079 362 HG3 MET 56 2HG MET 56 -7.754 -1.772 -4.168 363 HE1 MET 56 1HE MET 56 -5.574 -3.090 -5.255 364 HE2 MET 56 2HE MET 56 -6.733 -4.416 -5.341 365 HE3 MET 56 3HE MET 56 -5.757 -4.005 -6.752 366 H LYS 57 H LYS 57 -9.151 -5.026 -1.585 367 HA LYS 57 HA LYS 57 -10.750 -7.198 -2.347 368 HB2 LYS 57 1HB LYS 57 -9.028 -6.558 0.000 369 HB3 LYS 57 2HB LYS 57 -10.135 -7.917 0.141 370 HG2 LYS 57 1HG LYS 57 -9.140 -8.863 -1.932 371 HG3 LYS 57 2HG LYS 57 -7.951 -7.559 -1.899 372 HD2 LYS 57 1HD LYS 57 -7.312 -8.323 0.402 373 HD3 LYS 57 2HD LYS 57 -8.361 -9.722 0.161 374 HE2 LYS 57 1HE LYS 57 -6.169 -9.028 -1.771 375 HE3 LYS 57 2HE LYS 57 -5.866 -10.004 -0.334 376 HZ1 LYS 57 1HZ LYS 57 -7.739 -10.642 -2.547 377 HZ2 LYS 57 2HZ LYS 57 -7.607 -11.542 -1.122 378 HZ3 LYS 57 3HZ LYS 57 -6.292 -11.439 -2.182 379 H ARG 58 H ARG 58 -11.151 -4.818 0.248 380 HA ARG 58 HA ARG 58 -13.478 -5.978 1.363 381 HB2 ARG 58 1HB ARG 58 -12.370 -3.172 1.467 382 HB3 ARG 58 2HB ARG 58 -13.801 -3.673 2.358 383 HG2 ARG 58 1HG ARG 58 -12.296 -5.506 3.343 384 HG3 ARG 58 2HG ARG 58 -10.959 -4.528 2.735 385 HD2 ARG 58 1HD ARG 58 -12.310 -2.605 3.967 386 HD3 ARG 58 2HD ARG 58 -12.890 -3.970 4.921 387 HE ARG 58 HE ARG 58 -10.029 -3.882 4.617 388 HH11 ARG 58 2HH1 ARG 58 -12.756 -2.811 6.498 389 HH12 ARG 58 1HH1 ARG 58 -11.824 -2.537 7.933 390 HH21 ARG 58 2HH2 ARG 58 -8.792 -3.525 6.499 391 HH22 ARG 58 1HH2 ARG 58 -9.569 -2.942 7.932 392 H ARG 59 H ARG 59 -12.975 -3.470 -1.081 393 HA ARG 59 HA ARG 59 -15.675 -2.735 -1.390 394 HB2 ARG 59 1HB ARG 59 -13.451 -2.635 -3.438 395 HB3 ARG 59 2HB ARG 59 -14.971 -1.754 -3.523 396 HG2 ARG 59 1HG ARG 59 -14.384 -0.366 -1.711 397 HG3 ARG 59 2HG ARG 59 -13.027 -1.401 -1.263 398 HD2 ARG 59 1HD ARG 59 -12.024 0.405 -2.347 399 HD3 ARG 59 2HD ARG 59 -12.092 -0.849 -3.584 400 HE ARG 59 HE ARG 59 -14.348 0.940 -3.596 401 HH11 ARG 59 2HH1 ARG 59 -11.118 0.374 -4.765 402 HH12 ARG 59 1HH1 ARG 59 -11.304 1.390 -6.155 403 HH21 ARG 59 2HH2 ARG 59 -14.605 2.280 -5.423 404 HH22 ARG 59 1HH2 ARG 59 -13.287 2.475 -6.528 405 H GLY 60 H GLY 60 -13.768 -5.349 -2.729 406 HA2 GLY 60 1HA GLY 60 -15.554 -6.077 -4.809 407 HA3 GLY 60 2HA GLY 60 -14.316 -7.106 -4.105 408 H SER 61 H SER 61 -14.906 -8.715 -2.763 409 HA SER 61 HA SER 61 -17.623 -9.477 -2.629 410 HB2 SER 61 1HB SER 61 -16.865 -11.342 -1.292 411 HB3 SER 61 2HB SER 61 -15.681 -11.057 -2.567 412 HG SER 61 HG SER 61 -14.869 -11.375 -0.339 413 H ARG 62 H ARG 62 -19.099 -9.431 -0.967 414 HA ARG 62 HA ARG 62 -20.153 -8.692 0.908 415 HB2 ARG 62 1HB ARG 62 -18.085 -9.794 1.960 416 HB3 ARG 62 2HB ARG 62 -17.456 -8.161 2.135 417 HG2 ARG 62 1HG ARG 62 -19.265 -7.544 3.569 418 HG3 ARG 62 2HG ARG 62 -20.090 -9.075 3.266 419 HD2 ARG 62 1HD ARG 62 -19.082 -9.391 5.344 420 HD3 ARG 62 2HD ARG 62 -17.972 -10.170 4.217 421 HE ARG 62 HE ARG 62 -17.311 -7.430 4.754 422 HH11 ARG 62 2HH1 ARG 62 -16.979 -10.714 5.862 423 HH12 ARG 62 1HH1 ARG 62 -15.516 -10.408 6.738 424 HH21 ARG 62 2HH2 ARG 62 -15.386 -7.014 5.904 425 HH22 ARG 62 1HH2 ARG 62 -14.612 -8.303 6.762 426 H HIS 63 H HIS 63 -19.746 -6.876 -1.163 427 HA HIS 63 HA HIS 63 -18.737 -4.387 -0.190 428 HB2 HIS 63 1HB HIS 63 -19.874 -3.460 -2.245 429 HB3 HIS 63 2HB HIS 63 -18.696 -4.733 -2.552 430 HD1 HIS 63 1HD HIS 63 -22.263 -3.880 -2.953 431 HD2 HIS 63 2HD HIS 63 -19.846 -7.241 -3.312 432 HE1 HIS 63 1HE HIS 63 -23.636 -5.564 -4.219 433 HE2 HIS 63 2HE HIS 63 -22.185 -7.619 -4.349 434 H LYS 64 H LYS 64 -19.894 -4.236 1.824 435 HA LYS 64 HA LYS 64 -22.584 -3.108 1.460 436 HB2 LYS 64 1HB LYS 64 -22.976 -5.277 2.382 437 HB3 LYS 64 2HB LYS 64 -21.689 -5.076 3.565 438 HG2 LYS 64 1HG LYS 64 -22.993 -3.311 4.664 439 HG3 LYS 64 2HG LYS 64 -24.291 -3.559 3.494 440 HD2 LYS 64 1HD LYS 64 -25.041 -4.875 5.211 441 HD3 LYS 64 2HD LYS 64 -24.088 -6.058 4.312 442 HE2 LYS 64 1HE LYS 64 -22.147 -5.374 5.831 443 HE3 LYS 64 2HE LYS 64 -23.369 -4.595 6.835 444 HZ1 LYS 64 1HZ LYS 64 -24.152 -6.558 7.559 445 HZ2 LYS 64 2HZ LYS 64 -22.618 -7.127 7.132 446 HZ3 LYS 64 3HZ LYS 64 -23.922 -7.342 6.077 447 H SER 65 H SER 65 -21.916 -0.999 1.633 448 HA SER 65 HA SER 65 -20.743 -0.233 4.226 449 HB2 SER 65 1HB SER 65 -19.139 0.121 2.395 450 HB3 SER 65 2HB SER 65 -20.321 1.117 1.547 451 HG SER 65 HG SER 65 -18.647 2.182 2.941 452 H GLY 66 H GLY 66 -22.866 0.024 5.079 453 HA2 GLY 66 1HA GLY 66 -24.468 2.181 3.888 454 HA3 GLY 66 2HA GLY 66 -25.043 1.006 5.062 455 HA PRO 67 HA PRO 67 -24.233 4.992 7.284 456 HB2 PRO 67 1HB PRO 67 -26.562 4.957 8.678 457 HB3 PRO 67 2HB PRO 67 -26.424 5.645 7.056 458 HG2 PRO 67 1HG PRO 67 -27.450 2.961 7.893 459 HG3 PRO 67 2HG PRO 67 -28.110 4.086 6.692 460 HD2 PRO 67 1HD PRO 67 -26.632 1.924 6.005 461 HD3 PRO 67 2HD PRO 67 -26.608 3.433 5.070 462 H SER 68 H SER 68 -23.288 5.098 9.246 463 HA SER 68 HA SER 68 -23.186 2.651 10.830 464 HB2 SER 68 1HB SER 68 -21.589 5.213 11.080 465 HB3 SER 68 2HB SER 68 -21.306 3.732 11.996 466 HG SER 68 HG SER 68 -20.478 2.792 10.261 467 H SER 69 H SER 69 -24.888 2.479 12.165 468 HA SER 69 HA SER 69 -25.210 4.518 14.217 469 HB2 SER 69 1HB SER 69 -27.710 4.483 13.925 470 HB3 SER 69 2HB SER 69 -26.835 5.272 12.612 471 HG SER 69 HG SER 69 -27.966 3.944 11.427 472 H GLY 70 H GLY 70 -25.743 3.685 16.171 473 HA2 GLY 70 1HA GLY 70 -27.108 1.930 17.332 474 HA3 GLY 70 2HA GLY 70 -26.329 0.789 16.246 Start of MODEL 2 1 H1 GLY 1 H GLY 1 14.068 24.489 17.879 2 HA2 GLY 1 1HA GLY 1 12.411 22.418 18.799 3 HA3 GLY 1 2HA GLY 1 11.528 23.324 17.580 4 H SER 2 H SER 2 11.734 20.958 16.747 5 HA SER 2 HA SER 2 14.094 20.865 14.985 6 HB2 SER 2 1HB SER 2 14.126 18.453 15.144 7 HB3 SER 2 2HB SER 2 14.152 19.117 16.778 8 HG SER 2 HG SER 2 12.462 17.925 17.104 9 H SER 3 H SER 3 13.716 20.599 12.861 10 HA SER 3 HA SER 3 11.089 20.918 11.853 11 HB2 SER 3 1HB SER 3 13.264 21.665 10.754 12 HB3 SER 3 2HB SER 3 13.474 19.988 10.251 13 HG SER 3 HG SER 3 12.427 21.029 8.604 14 H GLY 4 H GLY 4 10.393 19.397 9.941 15 HA2 GLY 4 1HA GLY 4 10.136 16.737 11.132 16 HA3 GLY 4 2HA GLY 4 9.132 17.401 9.852 17 H SER 5 H SER 5 9.403 15.469 8.652 18 HA SER 5 HA SER 5 11.712 15.532 6.930 19 HB2 SER 5 1HB SER 5 11.199 13.036 8.564 20 HB3 SER 5 2HB SER 5 12.459 13.257 7.350 21 HG SER 5 HG SER 5 13.335 13.578 9.391 22 H SER 6 H SER 6 11.540 13.850 5.193 23 HA SER 6 HA SER 6 8.774 13.703 4.324 24 HB2 SER 6 1HB SER 6 11.375 13.040 2.929 25 HB3 SER 6 2HB SER 6 9.787 12.882 2.178 26 HG SER 6 HG SER 6 9.493 15.102 2.430 27 H GLY 7 H GLY 7 8.068 11.655 3.178 28 HA2 GLY 7 1HA GLY 7 9.198 9.152 3.802 29 HA3 GLY 7 2HA GLY 7 7.976 9.535 5.006 30 H TYR 8 H TYR 8 8.552 8.191 1.983 31 HA TYR 8 HA TYR 8 5.781 8.528 1.096 32 HB2 TYR 8 1HB TYR 8 8.324 7.708 -0.249 33 HB3 TYR 8 2HB TYR 8 6.790 7.176 -0.928 34 HD1 TYR 8 1HD TYR 8 8.918 10.081 -0.216 35 HD2 TYR 8 2HD TYR 8 5.283 8.745 -1.977 36 HE1 TYR 8 1HE TYR 8 8.677 12.250 -1.350 37 HE2 TYR 8 2HE TYR 8 5.032 10.910 -3.117 38 HH TYR 8 HH TYR 8 7.354 13.540 -2.597 39 H CYS 9 H CYS 9 8.091 5.811 1.037 40 HA CYS 9 HA CYS 9 6.338 3.734 0.848 41 HB2 CYS 9 1HB CYS 9 8.757 3.422 0.787 42 HB3 CYS 9 2HB CYS 9 8.872 3.821 2.498 43 H ILE 10 H ILE 10 5.631 2.146 2.490 44 HA ILE 10 HA ILE 10 3.923 3.247 4.365 45 HB ILE 10 HB ILE 10 3.976 0.932 5.447 46 HG12 ILE 10 1HG1 ILE 10 5.540 0.166 2.992 47 HG13 ILE 10 2HG1 ILE 10 6.347 0.530 4.513 48 HG21 ILE 10 1HG2 ILE 10 2.870 -0.109 3.444 49 HG22 ILE 10 2HG2 ILE 10 2.250 1.475 3.909 50 HG23 ILE 10 3HG2 ILE 10 3.341 1.325 2.531 51 HD11 ILE 10 1HD1 ILE 10 4.246 -1.590 4.149 52 HD12 ILE 10 2HD1 ILE 10 5.987 -1.874 4.158 53 HD13 ILE 10 3HD1 ILE 10 5.184 -1.269 5.607 54 H CYS 11 H CYS 11 7.301 2.464 4.647 55 HA CYS 11 HA CYS 11 7.347 2.657 7.525 56 HB2 CYS 11 1HB CYS 11 9.769 2.403 7.296 57 HB3 CYS 11 2HB CYS 11 8.926 1.191 6.336 58 H ASN 12 H ASN 12 6.648 4.928 5.469 59 HA ASN 12 HA ASN 12 6.942 7.184 5.274 60 HB2 ASN 12 1HB ASN 12 7.320 6.696 8.223 61 HB3 ASN 12 2HB ASN 12 7.337 8.322 7.546 62 HD21 ASN 12 1HD2 ASN 12 5.473 6.922 9.393 63 HD22 ASN 12 2HD2 ASN 12 3.911 7.116 8.681 64 H GLN 13 H GLN 13 9.110 6.033 4.267 65 HA GLN 13 HA GLN 13 11.323 7.685 5.286 66 HB2 GLN 13 1HB GLN 13 11.456 4.856 4.236 67 HB3 GLN 13 2HB GLN 13 12.868 5.869 4.504 68 HG2 GLN 13 1HG GLN 13 10.980 5.496 6.760 69 HG3 GLN 13 2HG GLN 13 12.013 4.141 6.307 70 HE21 GLN 13 1HE2 GLN 13 12.131 7.597 7.055 71 HE22 GLN 13 2HE2 GLN 13 13.670 7.554 7.838 72 H VAL 14 H VAL 14 12.840 8.414 3.707 73 HA VAL 14 HA VAL 14 11.718 9.398 1.361 74 HB VAL 14 HB VAL 14 14.126 9.759 0.626 75 HG11 VAL 14 1HG1 VAL 14 13.320 11.653 1.580 76 HG12 VAL 14 2HG1 VAL 14 12.813 10.827 3.055 77 HG13 VAL 14 3HG1 VAL 14 14.511 11.238 2.813 78 HG21 VAL 14 1HG2 VAL 14 14.525 8.012 2.931 79 HG22 VAL 14 2HG2 VAL 14 15.612 8.391 1.595 80 HG23 VAL 14 3HG2 VAL 14 15.504 9.478 2.979 81 H SER 15 H SER 15 11.931 8.846 -0.817 82 HA SER 15 HA SER 15 11.950 6.037 -1.349 83 HB2 SER 15 1HB SER 15 10.462 7.114 -2.749 84 HB3 SER 15 2HB SER 15 11.512 8.515 -2.961 85 HG SER 15 HG SER 15 11.406 6.151 -4.375 86 H TYR 16 H TYR 16 13.748 4.884 -1.499 87 HA TYR 16 HA TYR 16 15.978 5.942 -3.079 88 HB2 TYR 16 1HB TYR 16 17.591 5.049 -1.406 89 HB3 TYR 16 2HB TYR 16 16.624 6.385 -0.792 90 HD1 TYR 16 1HD TYR 16 16.994 2.698 -0.726 91 HD2 TYR 16 2HD TYR 16 15.258 6.118 1.117 92 HE1 TYR 16 1HE TYR 16 16.310 1.312 1.188 93 HE2 TYR 16 2HE TYR 16 14.570 4.742 3.036 94 HH TYR 16 HH TYR 16 15.155 1.244 3.093 95 H GLY 17 H GLY 17 17.694 4.064 -3.293 96 HA2 GLY 17 1HA GLY 17 18.074 2.100 -4.440 97 HA3 GLY 17 2HA GLY 17 17.144 1.397 -3.125 98 H GLU 18 H GLU 18 16.516 -0.183 -4.768 99 HA GLU 18 HA GLU 18 14.916 0.602 -6.992 100 HB2 GLU 18 1HB GLU 18 15.399 -2.044 -5.633 101 HB3 GLU 18 2HB GLU 18 14.310 -1.879 -7.003 102 HG2 GLU 18 1HG GLU 18 16.430 -0.705 -8.070 103 HG3 GLU 18 2HG GLU 18 17.265 -1.720 -6.895 104 H MET 19 H MET 19 12.973 1.488 -6.793 105 HA MET 19 HA MET 19 11.194 0.506 -4.659 106 HB2 MET 19 1HB MET 19 11.371 3.225 -5.958 107 HB3 MET 19 2HB MET 19 10.035 2.735 -4.925 108 HG2 MET 19 1HG MET 19 12.810 2.472 -3.892 109 HG3 MET 19 2HG MET 19 12.078 4.073 -3.976 110 HE1 MET 19 1HE MET 19 8.817 3.646 -2.313 111 HE2 MET 19 2HE MET 19 9.999 4.671 -1.500 112 HE3 MET 19 3HE MET 19 9.935 4.625 -3.262 113 H VAL 20 H VAL 20 9.006 0.153 -5.145 114 HA VAL 20 HA VAL 20 8.449 -0.168 -8.021 115 HB VAL 20 HB VAL 20 8.531 -2.289 -6.751 116 HG11 VAL 20 1HG1 VAL 20 7.436 -0.981 -4.699 117 HG12 VAL 20 2HG1 VAL 20 5.973 -1.688 -5.387 118 HG13 VAL 20 3HG1 VAL 20 7.307 -2.729 -4.892 119 HG21 VAL 20 1HG2 VAL 20 5.958 -2.828 -7.311 120 HG22 VAL 20 2HG2 VAL 20 6.149 -1.316 -8.199 121 HG23 VAL 20 3HG2 VAL 20 7.210 -2.682 -8.545 122 H GLY 21 H GLY 21 7.284 1.551 -8.651 123 HA2 GLY 21 1HA GLY 21 5.506 2.978 -6.949 124 HA3 GLY 21 2HA GLY 21 5.645 3.165 -8.691 125 H CYS 22 H CYS 22 3.415 2.705 -6.515 126 HA CYS 22 HA CYS 22 2.054 0.350 -7.186 127 HB2 CYS 22 1HB CYS 22 1.587 1.846 -5.213 128 HB3 CYS 22 2HB CYS 22 0.775 2.947 -6.321 129 H ASP 23 H ASP 23 0.951 -0.245 -8.930 130 HA ASP 23 HA ASP 23 0.902 1.125 -11.313 131 HB2 ASP 23 1HB ASP 23 0.412 -1.180 -11.395 132 HB3 ASP 23 2HB ASP 23 -0.897 -1.029 -10.226 133 H ASN 24 H ASN 24 -1.412 1.256 -8.670 134 HA ASN 24 HA ASN 24 -3.298 2.869 -10.123 135 HB2 ASN 24 1HB ASN 24 -3.878 1.289 -8.227 136 HB3 ASN 24 2HB ASN 24 -3.167 2.471 -7.132 137 HD21 ASN 24 1HD2 ASN 24 -5.001 3.018 -6.064 138 HD22 ASN 24 2HD2 ASN 24 -6.338 3.826 -6.801 139 H GLN 25 H GLN 25 -2.487 4.797 -10.764 140 HA GLN 25 HA GLN 25 -0.633 6.387 -9.468 141 HB2 GLN 25 1HB GLN 25 -2.903 7.164 -11.299 142 HB3 GLN 25 2HB GLN 25 -1.653 8.285 -10.777 143 HG2 GLN 25 1HG GLN 25 0.007 7.195 -11.979 144 HG3 GLN 25 2HG GLN 25 -0.934 5.711 -12.116 145 HE21 GLN 25 1HE2 GLN 25 -1.703 5.349 -14.057 146 HE22 GLN 25 2HE2 GLN 25 -2.146 6.543 -15.224 147 H ASP 26 H ASP 26 -4.065 6.076 -8.911 148 HA ASP 26 HA ASP 26 -4.538 8.397 -7.436 149 HB2 ASP 26 1HB ASP 26 -6.326 6.896 -8.219 150 HB3 ASP 26 2HB ASP 26 -5.795 5.669 -7.072 151 H CYS 27 H CYS 27 -2.810 5.526 -6.617 152 HA CYS 27 HA CYS 27 -2.987 5.387 -3.881 153 HB2 CYS 27 1HB CYS 27 -1.599 3.970 -5.562 154 HB3 CYS 27 2HB CYS 27 -0.317 5.132 -5.233 155 HA PRO 28 HA PRO 28 -1.454 9.272 -2.437 156 HB2 PRO 28 1HB PRO 28 -1.116 8.577 0.165 157 HB3 PRO 28 2HB PRO 28 -2.704 8.880 -0.550 158 HG2 PRO 28 1HG PRO 28 -1.329 6.273 -0.024 159 HG3 PRO 28 2HG PRO 28 -3.023 6.719 0.248 160 HD2 PRO 28 1HD PRO 28 -2.222 5.282 -1.903 161 HD3 PRO 28 2HD PRO 28 -3.590 6.412 -1.965 162 H ILE 29 H ILE 29 0.267 6.269 -2.162 163 HA ILE 29 HA ILE 29 2.756 7.719 -1.555 164 HB ILE 29 HB ILE 29 2.307 4.740 -1.377 165 HG12 ILE 29 1HG1 ILE 29 2.238 6.818 0.824 166 HG13 ILE 29 2HG1 ILE 29 0.852 5.919 0.215 167 HG21 ILE 29 1HG2 ILE 29 4.359 4.825 0.009 168 HG22 ILE 29 2HG2 ILE 29 4.623 5.329 -1.660 169 HG23 ILE 29 3HG2 ILE 29 4.512 6.538 -0.381 170 HD11 ILE 29 1HD1 ILE 29 1.397 4.783 2.144 171 HD12 ILE 29 2HD1 ILE 29 2.215 3.834 0.903 172 HD13 ILE 29 3HD1 ILE 29 3.131 4.972 1.890 173 H GLU 30 H GLU 30 1.513 5.047 -3.559 174 HA GLU 30 HA GLU 30 2.240 4.169 -5.536 175 HB2 GLU 30 1HB GLU 30 1.387 6.509 -6.133 176 HB3 GLU 30 2HB GLU 30 3.079 6.979 -6.226 177 HG2 GLU 30 1HG GLU 30 3.218 4.889 -7.823 178 HG3 GLU 30 2HG GLU 30 1.496 5.215 -8.013 179 H TRP 31 H TRP 31 4.197 4.359 -3.343 180 HA TRP 31 HA TRP 31 6.512 3.597 -4.835 181 HB2 TRP 31 1HB TRP 31 6.559 6.187 -3.282 182 HB3 TRP 31 2HB TRP 31 8.019 5.305 -3.722 183 HD1 TRP 31 HD TRP 31 5.462 7.693 -5.106 184 HE1 TRP 31 1HE TRP 31 6.072 8.295 -7.533 185 HE3 TRP 31 3HE TRP 31 9.133 4.226 -5.906 186 HZ2 TRP 31 2HZ TRP 31 7.870 7.416 -9.523 187 HZ3 TRP 31 3HZ TRP 31 10.248 4.173 -8.098 188 HH2 TRP 31 HH TRP 31 9.628 5.735 -9.869 189 H PHE 32 H PHE 32 7.050 1.819 -3.764 190 HA PHE 32 HA PHE 32 7.348 1.972 -0.849 191 HB2 PHE 32 1HB PHE 32 6.080 -0.367 -2.286 192 HB3 PHE 32 2HB PHE 32 6.315 -0.203 -0.549 193 HD1 PHE 32 1HD PHE 32 4.777 1.759 -3.330 194 HD2 PHE 32 2HD PHE 32 4.455 0.333 0.667 195 HE1 PHE 32 1HE PHE 32 2.562 2.813 -3.136 196 HE2 PHE 32 2HE PHE 32 2.239 1.384 0.867 197 HZ PHE 32 HZ PHE 32 1.289 2.625 -1.036 198 H HIS 33 H HIS 33 8.982 0.704 0.023 199 HA HIS 33 HA HIS 33 11.178 0.156 -1.677 200 HB2 HIS 33 1HB HIS 33 10.642 -0.512 1.218 201 HB3 HIS 33 2HB HIS 33 12.163 -0.889 0.413 202 HD2 HIS 33 2HD HIS 33 13.009 1.806 -0.970 203 HE1 HIS 33 1HE HIS 33 12.052 3.745 2.680 204 HE2 HIS 33 2HE HIS 33 13.203 3.959 0.450 205 H TYR 34 H TYR 34 12.263 -1.908 -1.944 206 HA TYR 34 HA TYR 34 10.433 -3.953 -2.753 207 HB2 TYR 34 1HB TYR 34 13.376 -3.527 -2.902 208 HB3 TYR 34 2HB TYR 34 12.785 -5.179 -3.045 209 HD1 TYR 34 2HD TYR 34 11.084 -2.122 -4.271 210 HD2 TYR 34 1HD TYR 34 13.272 -5.620 -5.310 211 HE1 TYR 34 2HE TYR 34 10.572 -1.730 -6.644 212 HE2 TYR 34 1HE TYR 34 12.767 -5.236 -7.687 213 HH TYR 34 HH TYR 34 11.389 -2.300 -8.822 214 H GLY 35 H GLY 35 12.568 -3.434 -0.025 215 HA2 GLY 35 1HA GLY 35 12.267 -6.136 0.966 216 HA3 GLY 35 2HA GLY 35 13.105 -4.815 1.768 217 H CYS 36 H CYS 36 10.692 -3.072 1.411 218 HA CYS 36 HA CYS 36 9.447 -3.734 3.902 219 HB2 CYS 36 1HB CYS 36 9.028 -1.555 1.869 220 HB3 CYS 36 2HB CYS 36 7.951 -1.739 3.249 221 H VAL 37 H VAL 37 8.599 -4.029 0.514 222 HA VAL 37 HA VAL 37 5.951 -5.068 1.226 223 HB VAL 37 HB VAL 37 5.403 -4.913 -1.137 224 HG11 VAL 37 1HG1 VAL 37 5.006 -2.931 0.138 225 HG12 VAL 37 2HG1 VAL 37 6.696 -2.440 0.002 226 HG13 VAL 37 3HG1 VAL 37 5.659 -2.445 -1.426 227 HG21 VAL 37 1HG2 VAL 37 7.001 -5.067 -2.671 228 HG22 VAL 37 2HG2 VAL 37 7.559 -3.457 -2.215 229 HG23 VAL 37 3HG2 VAL 37 8.249 -4.883 -1.439 230 H GLY 38 H GLY 38 9.068 -6.060 0.136 231 HA2 GLY 38 1HA GLY 38 9.869 -8.259 0.132 232 HA3 GLY 38 2HA GLY 38 8.212 -8.838 0.218 233 H LEU 39 H LEU 39 10.528 -7.288 -1.979 234 HA LEU 39 HA LEU 39 9.387 -8.886 -4.162 235 HB2 LEU 39 1HB LEU 39 9.739 -5.938 -4.025 236 HB3 LEU 39 2HB LEU 39 10.059 -6.738 -5.563 237 HG LEU 39 HG LEU 39 7.452 -6.874 -4.048 238 HD11 LEU 39 1HD1 LEU 39 7.986 -4.623 -4.945 239 HD12 LEU 39 2HD1 LEU 39 6.572 -5.367 -5.692 240 HD13 LEU 39 3HD1 LEU 39 8.111 -5.336 -6.554 241 HD21 LEU 39 1HD2 LEU 39 8.527 -8.234 -6.428 242 HD22 LEU 39 2HD2 LEU 39 6.902 -7.570 -6.598 243 HD23 LEU 39 3HD2 LEU 39 7.252 -8.727 -5.313 244 H THR 40 H THR 40 11.221 -10.257 -3.739 245 HA THR 40 HA THR 40 13.860 -9.690 -3.625 246 HB THR 40 HB THR 40 14.346 -11.810 -4.723 247 HG1 THR 40 1HG THR 40 11.779 -11.406 -5.771 248 HG21 THR 40 1HG2 THR 40 12.247 -13.074 -3.487 249 HG22 THR 40 2HG2 THR 40 12.294 -11.517 -2.659 250 HG23 THR 40 3HG2 THR 40 13.728 -12.543 -2.692 251 H GLU 41 H GLU 41 11.852 -9.589 -6.520 252 HA GLU 41 HA GLU 41 13.928 -8.025 -7.850 253 HB2 GLU 41 1HB GLU 41 14.063 -9.343 -9.770 254 HB3 GLU 41 2HB GLU 41 14.057 -10.528 -8.471 255 HG2 GLU 41 1HG GLU 41 11.451 -10.461 -8.913 256 HG3 GLU 41 2HG GLU 41 11.987 -9.928 -10.506 257 H ALA 42 H ALA 42 12.945 -7.412 -10.169 258 HA ALA 42 HA ALA 42 10.692 -5.781 -9.609 259 HB1 ALA 42 1HB ALA 42 12.185 -6.410 -12.139 260 HB2 ALA 42 2HB ALA 42 10.788 -5.333 -12.107 261 HB3 ALA 42 3HB ALA 42 12.231 -4.935 -11.174 262 HA PRO 43 HA PRO 43 7.426 -8.626 -10.466 263 HB2 PRO 43 1HB PRO 43 5.427 -6.816 -10.782 264 HB3 PRO 43 2HB PRO 43 6.101 -7.237 -9.203 265 HG2 PRO 43 1HG PRO 43 6.690 -4.875 -10.946 266 HG3 PRO 43 2HG PRO 43 6.445 -4.937 -9.191 267 HD2 PRO 43 1HD PRO 43 8.905 -4.807 -10.315 268 HD3 PRO 43 2HD PRO 43 8.596 -5.661 -8.789 269 H LYS 44 H LYS 44 7.343 -9.656 -12.361 270 HA LYS 44 HA LYS 44 7.722 -8.461 -14.877 271 HB2 LYS 44 1HB LYS 44 6.733 -11.134 -13.953 272 HB3 LYS 44 2HB LYS 44 6.616 -10.707 -15.655 273 HG2 LYS 44 1HG LYS 44 9.146 -10.100 -15.361 274 HG3 LYS 44 2HG LYS 44 9.029 -11.194 -13.982 275 HD2 LYS 44 1HD LYS 44 9.623 -12.664 -15.644 276 HD3 LYS 44 2HD LYS 44 7.863 -12.767 -15.732 277 HE2 LYS 44 1HE LYS 44 8.388 -12.483 -17.948 278 HE3 LYS 44 2HE LYS 44 8.143 -10.809 -17.451 279 HZ1 LYS 44 1HZ LYS 44 10.375 -10.364 -17.526 280 HZ2 LYS 44 2HZ LYS 44 10.246 -11.478 -18.792 281 HZ3 LYS 44 3HZ LYS 44 10.835 -11.974 -17.286 282 H GLY 45 H GLY 45 4.745 -9.694 -13.345 283 HA2 GLY 45 1HA GLY 45 3.102 -8.577 -15.448 284 HA3 GLY 45 2HA GLY 45 2.536 -9.430 -14.019 285 H LYS 46 H LYS 46 1.114 -8.121 -13.065 286 HA LYS 46 HA LYS 46 1.800 -5.276 -12.774 287 HB2 LYS 46 1HB LYS 46 -0.855 -6.710 -12.627 288 HB3 LYS 46 2HB LYS 46 -0.642 -5.012 -12.223 289 HG2 LYS 46 1HG LYS 46 0.262 -6.010 -14.883 290 HG3 LYS 46 2HG LYS 46 -1.454 -5.712 -14.594 291 HD2 LYS 46 1HD LYS 46 -1.132 -3.436 -14.265 292 HD3 LYS 46 2HD LYS 46 0.581 -3.633 -13.886 293 HE2 LYS 46 1HE LYS 46 0.840 -4.410 -16.308 294 HE3 LYS 46 2HE LYS 46 -0.774 -3.748 -16.566 295 HZ1 LYS 46 1HZ LYS 46 1.403 -2.133 -15.383 296 HZ2 LYS 46 2HZ LYS 46 -0.041 -1.597 -16.082 297 HZ3 LYS 46 3HZ LYS 46 1.182 -2.241 -17.057 298 H TRP 47 H TRP 47 2.168 -4.419 -10.819 299 HA TRP 47 HA TRP 47 1.694 -6.133 -8.468 300 HB2 TRP 47 1HB TRP 47 4.083 -5.799 -8.942 301 HB3 TRP 47 2HB TRP 47 3.855 -4.054 -8.873 302 HD1 TRP 47 HD TRP 47 4.135 -7.130 -6.635 303 HE1 TRP 47 1HE TRP 47 4.448 -6.357 -4.199 304 HE3 TRP 47 3HE TRP 47 3.314 -2.122 -7.259 305 HZ2 TRP 47 2HZ TRP 47 4.358 -3.945 -2.737 306 HZ3 TRP 47 3HZ TRP 47 3.445 -0.651 -5.291 307 HH2 TRP 47 HH TRP 47 3.956 -1.546 -3.078 308 H TYR 48 H TYR 48 0.841 -5.219 -6.614 309 HA TYR 48 HA TYR 48 0.078 -2.391 -6.718 310 HB2 TYR 48 1HB TYR 48 -1.808 -4.697 -6.208 311 HB3 TYR 48 2HB TYR 48 -2.200 -3.016 -5.864 312 HD1 TYR 48 1HD TYR 48 -2.446 -1.397 -7.722 313 HD2 TYR 48 2HD TYR 48 -1.863 -5.550 -8.440 314 HE1 TYR 48 1HE TYR 48 -3.225 -1.100 -10.035 315 HE2 TYR 48 2HE TYR 48 -2.640 -5.264 -10.756 316 HH TYR 48 HH TYR 48 -4.066 -3.677 -12.036 317 H CYS 49 H CYS 49 0.593 -1.394 -4.893 318 HA CYS 49 HA CYS 49 1.881 -2.498 -2.750 319 HB2 CYS 49 1HB CYS 49 1.589 -0.454 -1.621 320 HB3 CYS 49 2HB CYS 49 1.523 -0.024 -3.327 321 HA PRO 50 HA PRO 50 -1.011 -4.653 -0.250 322 HB2 PRO 50 1HB PRO 50 -0.059 -4.140 2.240 323 HB3 PRO 50 2HB PRO 50 0.757 -5.221 1.104 324 HG2 PRO 50 1HG PRO 50 1.349 -2.359 1.752 325 HG3 PRO 50 2HG PRO 50 2.474 -3.712 1.531 326 HD2 PRO 50 1HD PRO 50 2.001 -1.878 -0.405 327 HD3 PRO 50 2HD PRO 50 2.386 -3.573 -0.768 328 H GLN 51 H GLN 51 -0.716 -1.265 -0.082 329 HA GLN 51 HA GLN 51 -2.738 -0.859 1.935 330 HB2 GLN 51 1HB GLN 51 -1.047 0.886 0.215 331 HB3 GLN 51 2HB GLN 51 -2.543 1.563 0.844 332 HG2 GLN 51 1HG GLN 51 -1.834 1.078 3.114 333 HG3 GLN 51 2HG GLN 51 -0.353 0.340 2.507 334 HE21 GLN 51 1HE2 GLN 51 -2.041 3.314 1.589 335 HE22 GLN 51 2HE2 GLN 51 -0.712 4.372 1.902 336 H CYS 52 H CYS 52 -2.569 -1.052 -1.542 337 HA CYS 52 HA CYS 52 -5.281 -0.069 -1.884 338 HB2 CYS 52 1HB CYS 52 -3.128 -0.989 -3.774 339 HB3 CYS 52 2HB CYS 52 -4.782 -0.748 -4.328 340 H THR 53 H THR 53 -3.551 -3.068 -2.752 341 HA THR 53 HA THR 53 -5.617 -4.643 -3.548 342 HB THR 53 HB THR 53 -3.385 -5.589 -1.740 343 HG1 THR 53 1HG THR 53 -3.458 -5.447 -4.587 344 HG21 THR 53 1HG2 THR 53 -3.981 -7.707 -2.218 345 HG22 THR 53 2HG2 THR 53 -4.372 -7.320 -3.893 346 HG23 THR 53 3HG2 THR 53 -5.548 -7.006 -2.618 347 H ALA 54 H ALA 54 -4.859 -3.673 -0.273 348 HA ALA 54 HA ALA 54 -6.651 -5.510 0.992 349 HB1 ALA 54 1HB ALA 54 -4.968 -3.229 1.856 350 HB2 ALA 54 2HB ALA 54 -6.329 -3.672 2.888 351 HB3 ALA 54 3HB ALA 54 -5.086 -4.864 2.507 352 H ALA 55 H ALA 55 -6.840 -2.148 -0.066 353 HA ALA 55 HA ALA 55 -9.425 -1.678 1.063 354 HB1 ALA 55 1HB ALA 55 -9.113 0.452 0.433 355 HB2 ALA 55 2HB ALA 55 -7.457 -0.064 0.108 356 HB3 ALA 55 3HB ALA 55 -8.633 0.004 -1.204 357 H MET 56 H MET 56 -8.240 -2.391 -2.211 358 HA MET 56 HA MET 56 -10.683 -2.256 -3.550 359 HB2 MET 56 1HB MET 56 -8.284 -4.004 -4.122 360 HB3 MET 56 2HB MET 56 -9.615 -3.737 -5.240 361 HG2 MET 56 1HG MET 56 -9.011 -1.220 -4.890 362 HG3 MET 56 2HG MET 56 -7.458 -1.876 -4.379 363 HE1 MET 56 1HE MET 56 -6.284 -3.809 -7.565 364 HE2 MET 56 2HE MET 56 -5.897 -3.346 -5.908 365 HE3 MET 56 3HE MET 56 -7.213 -4.479 -6.223 366 H LYS 57 H LYS 57 -9.207 -4.879 -1.725 367 HA LYS 57 HA LYS 57 -11.003 -6.917 -2.479 368 HB2 LYS 57 1HB LYS 57 -9.099 -6.504 -0.215 369 HB3 LYS 57 2HB LYS 57 -10.269 -7.811 -0.102 370 HG2 LYS 57 1HG LYS 57 -9.402 -8.485 -2.436 371 HG3 LYS 57 2HG LYS 57 -8.024 -7.454 -2.043 372 HD2 LYS 57 1HD LYS 57 -8.947 -9.545 -0.110 373 HD3 LYS 57 2HD LYS 57 -7.927 -9.988 -1.480 374 HE2 LYS 57 1HE LYS 57 -7.137 -7.695 0.260 375 HE3 LYS 57 2HE LYS 57 -6.862 -9.343 0.825 376 HZ1 LYS 57 1HZ LYS 57 -5.172 -7.943 -0.738 377 HZ2 LYS 57 2HZ LYS 57 -6.000 -8.872 -1.884 378 HZ3 LYS 57 3HZ LYS 57 -5.189 -9.629 -0.606 379 H ARG 58 H ARG 58 -10.991 -4.694 0.292 380 HA ARG 58 HA ARG 58 -13.219 -5.656 1.633 381 HB2 ARG 58 1HB ARG 58 -11.948 -2.953 1.421 382 HB3 ARG 58 2HB ARG 58 -13.474 -3.125 2.277 383 HG2 ARG 58 1HG ARG 58 -12.229 -5.040 3.535 384 HG3 ARG 58 2HG ARG 58 -10.783 -4.202 2.966 385 HD2 ARG 58 1HD ARG 58 -11.320 -3.378 5.149 386 HD3 ARG 58 2HD ARG 58 -11.675 -2.111 3.975 387 HE ARG 58 HE ARG 58 -14.054 -3.350 4.257 388 HH11 ARG 58 2HH1 ARG 58 -11.767 -2.059 6.542 389 HH12 ARG 58 1HH1 ARG 58 -12.972 -1.656 7.719 390 HH21 ARG 58 2HH2 ARG 58 -15.651 -2.824 5.799 391 HH22 ARG 58 1HH2 ARG 58 -15.181 -2.093 7.296 392 H ARG 59 H ARG 59 -13.040 -4.096 -1.400 393 HA ARG 59 HA ARG 59 -15.867 -3.339 -1.349 394 HB2 ARG 59 1HB ARG 59 -13.547 -2.674 -3.117 395 HB3 ARG 59 2HB ARG 59 -15.178 -2.536 -3.760 396 HG2 ARG 59 1HG ARG 59 -15.765 -0.876 -2.202 397 HG3 ARG 59 2HG ARG 59 -14.348 -1.204 -1.202 398 HD2 ARG 59 1HD ARG 59 -14.203 -0.164 -4.025 399 HD3 ARG 59 2HD ARG 59 -14.212 0.876 -2.601 400 HE ARG 59 HE ARG 59 -12.184 -0.973 -2.227 401 HH11 ARG 59 2HH1 ARG 59 -12.972 1.567 -4.474 402 HH12 ARG 59 1HH1 ARG 59 -11.318 1.942 -4.831 403 HH21 ARG 59 2HH2 ARG 59 -10.003 -0.488 -2.689 404 HH22 ARG 59 1HH2 ARG 59 -9.631 0.772 -3.816 405 H GLY 60 H GLY 60 -14.849 -6.148 -1.426 406 HA2 GLY 60 1HA GLY 60 -14.991 -7.408 -3.848 407 HA3 GLY 60 2HA GLY 60 -15.627 -8.103 -2.364 408 H SER 61 H SER 61 -16.556 -8.178 -5.216 409 HA SER 61 HA SER 61 -19.055 -6.731 -5.196 410 HB2 SER 61 1HB SER 61 -19.421 -7.701 -7.389 411 HB3 SER 61 2HB SER 61 -17.758 -7.123 -7.291 412 HG SER 61 HG SER 61 -18.302 -9.388 -8.127 413 H ARG 62 H ARG 62 -18.919 -8.371 -2.986 414 HA ARG 62 HA ARG 62 -20.528 -10.732 -3.595 415 HB2 ARG 62 1HB ARG 62 -19.093 -9.782 -1.125 416 HB3 ARG 62 2HB ARG 62 -20.253 -11.102 -1.067 417 HG2 ARG 62 1HG ARG 62 -18.858 -12.207 -2.878 418 HG3 ARG 62 2HG ARG 62 -17.631 -10.992 -2.518 419 HD2 ARG 62 1HD ARG 62 -18.842 -12.803 -0.439 420 HD3 ARG 62 2HD ARG 62 -17.365 -13.189 -1.322 421 HE ARG 62 HE ARG 62 -16.823 -10.755 -0.306 422 HH11 ARG 62 2HH1 ARG 62 -18.047 -13.687 1.118 423 HH12 ARG 62 1HH1 ARG 62 -17.349 -13.378 2.673 424 HH21 ARG 62 2HH2 ARG 62 -15.899 -10.337 1.738 425 HH22 ARG 62 1HH2 ARG 62 -16.129 -11.471 3.025 426 H HIS 63 H HIS 63 -20.649 -7.899 -1.438 427 HA HIS 63 HA HIS 63 -23.384 -8.357 -0.724 428 HB2 HIS 63 1HB HIS 63 -21.978 -7.239 0.869 429 HB3 HIS 63 2HB HIS 63 -21.539 -6.001 -0.305 430 HD1 HIS 63 1HD HIS 63 -23.063 -4.000 -0.506 431 HD2 HIS 63 2HD HIS 63 -24.656 -7.011 1.872 432 HE1 HIS 63 1HE HIS 63 -25.099 -2.996 0.575 433 HE2 HIS 63 2HE HIS 63 -25.998 -4.809 2.075 434 H LYS 64 H LYS 64 -25.176 -7.685 -1.717 435 HA LYS 64 HA LYS 64 -25.137 -6.603 -4.300 436 HB2 LYS 64 1HB LYS 64 -27.403 -6.635 -2.297 437 HB3 LYS 64 2HB LYS 64 -27.574 -6.336 -4.022 438 HG2 LYS 64 1HG LYS 64 -26.425 -8.657 -4.265 439 HG3 LYS 64 2HG LYS 64 -26.949 -8.880 -2.594 440 HD2 LYS 64 1HD LYS 64 -28.670 -9.775 -3.947 441 HD3 LYS 64 2HD LYS 64 -29.265 -8.216 -3.371 442 HE2 LYS 64 1HE LYS 64 -28.848 -7.184 -5.462 443 HE3 LYS 64 2HE LYS 64 -27.901 -8.558 -6.031 444 HZ1 LYS 64 1HZ LYS 64 -30.785 -8.749 -5.376 445 HZ2 LYS 64 2HZ LYS 64 -29.835 -9.876 -6.205 446 HZ3 LYS 64 3HZ LYS 64 -30.216 -8.396 -6.930 447 H SER 65 H SER 65 -24.576 -4.621 -4.886 448 HA SER 65 HA SER 65 -25.143 -2.390 -3.049 449 HB2 SER 65 1HB SER 65 -22.719 -2.958 -3.776 450 HB3 SER 65 2HB SER 65 -23.176 -2.244 -5.322 451 HG SER 65 HG SER 65 -23.003 -1.030 -2.785 452 H GLY 66 H GLY 66 -24.874 -3.077 -6.543 453 HA2 GLY 66 1HA GLY 66 -27.413 -1.913 -7.112 454 HA3 GLY 66 2HA GLY 66 -26.110 -0.807 -7.518 455 HA PRO 67 HA PRO 67 -26.728 -3.159 -11.355 456 HB2 PRO 67 1HB PRO 67 -25.767 -1.191 -12.959 457 HB3 PRO 67 2HB PRO 67 -27.430 -1.216 -12.360 458 HG2 PRO 67 1HG PRO 67 -25.071 0.319 -11.338 459 HG3 PRO 67 2HG PRO 67 -26.745 0.860 -11.567 460 HD2 PRO 67 1HD PRO 67 -25.760 0.154 -9.145 461 HD3 PRO 67 2HD PRO 67 -27.457 -0.102 -9.597 462 H SER 68 H SER 68 -24.058 -2.218 -9.598 463 HA SER 68 HA SER 68 -21.900 -2.432 -11.323 464 HB2 SER 68 1HB SER 68 -21.892 -1.828 -8.841 465 HB3 SER 68 2HB SER 68 -21.890 -3.563 -8.525 466 HG SER 68 HG SER 68 -19.858 -3.641 -9.055 467 H SER 69 H SER 69 -21.003 -4.037 -12.444 468 HA SER 69 HA SER 69 -22.024 -6.760 -12.006 469 HB2 SER 69 1HB SER 69 -22.382 -5.709 -14.258 470 HB3 SER 69 2HB SER 69 -20.631 -5.679 -14.466 471 HG SER 69 HG SER 69 -22.320 -7.696 -14.899 472 H GLY 70 H GLY 70 -20.370 -8.488 -12.761 473 HA2 GLY 70 1HA GLY 70 -18.152 -9.295 -12.776 474 HA3 GLY 70 2HA GLY 70 -17.622 -7.785 -12.051 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -2.818 15.319 13.384 2 HA2 GLY 1 1HA GLY 1 -1.108 16.719 12.611 3 HA3 GLY 1 2HA GLY 1 -0.326 16.594 14.180 4 H SER 2 H SER 2 1.602 16.362 12.768 5 HA SER 2 HA SER 2 2.194 13.542 12.429 6 HB2 SER 2 1HB SER 2 2.258 15.508 10.137 7 HB3 SER 2 2HB SER 2 3.168 13.997 10.120 8 HG SER 2 HG SER 2 0.601 14.384 9.541 9 H SER 3 H SER 3 4.499 13.143 12.094 10 HA SER 3 HA SER 3 6.100 14.661 13.822 11 HB2 SER 3 1HB SER 3 7.943 13.262 13.094 12 HB3 SER 3 2HB SER 3 6.494 12.267 13.242 13 HG SER 3 HG SER 3 7.773 11.975 11.275 14 H GLY 4 H GLY 4 5.939 14.583 10.277 15 HA2 GLY 4 1HA GLY 4 6.306 16.414 8.857 16 HA3 GLY 4 2HA GLY 4 7.022 17.288 10.204 17 H SER 5 H SER 5 7.635 14.450 8.141 18 HA SER 5 HA SER 5 10.281 15.390 7.531 19 HB2 SER 5 1HB SER 5 10.617 14.337 9.761 20 HB3 SER 5 2HB SER 5 10.012 12.816 9.104 21 HG SER 5 HG SER 5 12.243 12.801 8.991 22 H SER 6 H SER 6 11.126 14.437 5.709 23 HA SER 6 HA SER 6 9.513 13.448 3.767 24 HB2 SER 6 1HB SER 6 11.573 12.454 2.730 25 HB3 SER 6 2HB SER 6 11.769 14.127 3.252 26 HG SER 6 HG SER 6 12.625 13.119 5.267 27 H GLY 7 H GLY 7 8.464 11.612 3.339 28 HA2 GLY 7 1HA GLY 7 9.411 9.034 4.080 29 HA3 GLY 7 2HA GLY 7 8.145 9.565 5.177 30 H TYR 8 H TYR 8 8.814 8.041 2.262 31 HA TYR 8 HA TYR 8 6.101 8.494 1.232 32 HB2 TYR 8 1HB TYR 8 8.682 7.670 -0.026 33 HB3 TYR 8 2HB TYR 8 7.176 7.140 -0.766 34 HD1 TYR 8 2HD TYR 8 5.658 8.745 -1.789 35 HD2 TYR 8 1HD TYR 8 9.320 10.011 -0.032 36 HE1 TYR 8 2HE TYR 8 5.446 10.916 -2.926 37 HE2 TYR 8 1HE TYR 8 9.118 12.186 -1.163 38 HH TYR 8 HH TYR 8 6.644 13.497 -2.197 39 H CYS 9 H CYS 9 8.372 5.744 1.239 40 HA CYS 9 HA CYS 9 6.555 3.709 0.972 41 HB2 CYS 9 1HB CYS 9 8.982 3.366 0.903 42 HB3 CYS 9 2HB CYS 9 9.085 3.677 2.632 43 H ILE 10 H ILE 10 5.820 2.104 2.586 44 HA ILE 10 HA ILE 10 4.150 3.211 4.494 45 HB ILE 10 HB ILE 10 4.187 0.856 5.532 46 HG12 ILE 10 1HG1 ILE 10 5.651 0.186 2.981 47 HG13 ILE 10 2HG1 ILE 10 6.486 0.386 4.518 48 HG21 ILE 10 1HG2 ILE 10 2.382 1.418 4.150 49 HG22 ILE 10 2HG2 ILE 10 3.391 1.470 2.705 50 HG23 ILE 10 3HG2 ILE 10 3.015 -0.077 3.463 51 HD11 ILE 10 1HD1 ILE 10 4.281 -1.597 4.012 52 HD12 ILE 10 2HD1 ILE 10 6.006 -1.962 3.963 53 HD13 ILE 10 3HD1 ILE 10 5.257 -1.445 5.473 54 H CYS 11 H CYS 11 7.509 2.351 4.731 55 HA CYS 11 HA CYS 11 7.591 2.434 7.609 56 HB2 CYS 11 1HB CYS 11 10.025 2.225 7.324 57 HB3 CYS 11 2HB CYS 11 9.161 1.021 6.374 58 H ASN 12 H ASN 12 6.902 4.794 5.623 59 HA ASN 12 HA ASN 12 7.179 7.056 5.541 60 HB2 ASN 12 1HB ASN 12 7.602 6.443 8.461 61 HB3 ASN 12 2HB ASN 12 7.605 8.096 7.853 62 HD21 ASN 12 1HD2 ASN 12 5.725 9.103 7.591 63 HD22 ASN 12 2HD2 ASN 12 4.170 8.361 7.718 64 H GLN 13 H GLN 13 9.343 5.913 4.478 65 HA GLN 13 HA GLN 13 11.570 7.527 5.529 66 HB2 GLN 13 1HB GLN 13 11.680 4.751 4.344 67 HB3 GLN 13 2HB GLN 13 13.098 5.747 4.645 68 HG2 GLN 13 1HG GLN 13 11.231 5.262 6.899 69 HG3 GLN 13 2HG GLN 13 12.268 3.937 6.372 70 HE21 GLN 13 1HE2 GLN 13 12.349 7.337 7.333 71 HE22 GLN 13 2HE2 GLN 13 13.904 7.272 8.082 72 H VAL 14 H VAL 14 13.178 8.143 3.904 73 HA VAL 14 HA VAL 14 12.054 9.385 1.686 74 HB VAL 14 HB VAL 14 14.422 9.583 0.840 75 HG11 VAL 14 1HG1 VAL 14 13.418 11.266 2.292 76 HG12 VAL 14 2HG1 VAL 14 13.922 10.352 3.715 77 HG13 VAL 14 3HG1 VAL 14 15.133 11.067 2.650 78 HG21 VAL 14 1HG2 VAL 14 15.906 8.085 1.547 79 HG22 VAL 14 2HG2 VAL 14 15.842 8.852 3.134 80 HG23 VAL 14 3HG2 VAL 14 14.793 7.481 2.774 81 H SER 15 H SER 15 12.436 9.006 -0.597 82 HA SER 15 HA SER 15 12.016 6.222 -1.273 83 HB2 SER 15 1HB SER 15 11.964 8.756 -2.923 84 HB3 SER 15 2HB SER 15 11.681 7.151 -3.597 85 HG SER 15 HG SER 15 9.900 6.945 -2.204 86 H TYR 16 H TYR 16 13.938 5.148 -1.076 87 HA TYR 16 HA TYR 16 16.054 5.954 -2.957 88 HB2 TYR 16 1HB TYR 16 17.761 5.336 -1.389 89 HB3 TYR 16 2HB TYR 16 16.664 6.443 -0.571 90 HD1 TYR 16 2HD TYR 16 14.985 5.520 1.051 91 HD2 TYR 16 1HD TYR 16 18.112 3.139 -0.579 92 HE1 TYR 16 2HE TYR 16 14.672 3.881 2.858 93 HE2 TYR 16 1HE TYR 16 17.806 1.492 1.222 94 HH TYR 16 HH TYR 16 16.851 1.606 3.677 95 H GLY 17 H GLY 17 17.683 3.994 -3.145 96 HA2 GLY 17 1HA GLY 17 17.955 1.931 -4.126 97 HA3 GLY 17 2HA GLY 17 16.961 1.364 -2.792 98 H GLU 18 H GLU 18 16.525 -0.195 -4.702 99 HA GLU 18 HA GLU 18 14.897 0.605 -6.848 100 HB2 GLU 18 1HB GLU 18 15.561 -1.979 -5.533 101 HB3 GLU 18 2HB GLU 18 14.144 -1.944 -6.573 102 HG2 GLU 18 1HG GLU 18 16.676 -0.794 -7.611 103 HG3 GLU 18 2HG GLU 18 16.531 -2.548 -7.499 104 H MET 19 H MET 19 12.963 1.517 -6.717 105 HA MET 19 HA MET 19 11.118 0.599 -4.610 106 HB2 MET 19 1HB MET 19 11.434 3.331 -5.854 107 HB3 MET 19 2HB MET 19 10.049 2.878 -4.869 108 HG2 MET 19 1HG MET 19 11.946 2.191 -3.163 109 HG3 MET 19 2HG MET 19 12.859 3.388 -4.078 110 HE1 MET 19 1HE MET 19 9.055 3.162 -3.147 111 HE2 MET 19 2HE MET 19 9.857 2.747 -1.632 112 HE3 MET 19 3HE MET 19 8.962 4.261 -1.770 113 H VAL 20 H VAL 20 9.014 0.135 -5.159 114 HA VAL 20 HA VAL 20 8.470 -0.022 -8.048 115 HB VAL 20 HB VAL 20 8.501 -2.190 -6.897 116 HG11 VAL 20 1HG1 VAL 20 7.143 -2.749 -5.102 117 HG12 VAL 20 2HG1 VAL 20 7.637 -1.100 -4.712 118 HG13 VAL 20 3HG1 VAL 20 6.037 -1.406 -5.389 119 HG21 VAL 20 1HG2 VAL 20 6.182 -1.098 -8.306 120 HG22 VAL 20 2HG2 VAL 20 7.101 -2.574 -8.606 121 HG23 VAL 20 3HG2 VAL 20 5.836 -2.557 -7.376 122 H GLY 21 H GLY 21 7.334 1.730 -8.638 123 HA2 GLY 21 1HA GLY 21 5.573 3.154 -6.934 124 HA3 GLY 21 2HA GLY 21 5.693 3.338 -8.678 125 H CYS 22 H CYS 22 3.515 2.832 -6.417 126 HA CYS 22 HA CYS 22 2.114 0.516 -7.092 127 HB2 CYS 22 1HB CYS 22 1.665 1.949 -5.101 128 HB3 CYS 22 2HB CYS 22 0.926 3.139 -6.167 129 H ASP 23 H ASP 23 1.016 -0.070 -8.839 130 HA ASP 23 HA ASP 23 0.931 1.291 -11.213 131 HB2 ASP 23 1HB ASP 23 0.289 -1.154 -10.683 132 HB3 ASP 23 2HB ASP 23 -1.332 -0.521 -10.407 133 H ASN 24 H ASN 24 -1.248 1.570 -8.492 134 HA ASN 24 HA ASN 24 -3.151 3.194 -9.939 135 HB2 ASN 24 1HB ASN 24 -3.728 1.616 -8.025 136 HB3 ASN 24 2HB ASN 24 -3.008 2.810 -6.949 137 HD21 ASN 24 1HD2 ASN 24 -4.803 3.440 -5.884 138 HD22 ASN 24 2HD2 ASN 24 -6.151 4.222 -6.630 139 H GLN 25 H GLN 25 -2.419 5.144 -10.546 140 HA GLN 25 HA GLN 25 -0.467 6.672 -9.278 141 HB2 GLN 25 1HB GLN 25 -2.698 7.388 -11.162 142 HB3 GLN 25 2HB GLN 25 -1.604 8.614 -10.537 143 HG2 GLN 25 1HG GLN 25 0.280 7.149 -11.421 144 HG3 GLN 25 2HG GLN 25 -0.973 6.277 -12.303 145 HE21 GLN 25 1HE2 GLN 25 -2.475 7.751 -13.569 146 HE22 GLN 25 2HE2 GLN 25 -1.722 9.025 -14.460 147 H ASP 26 H ASP 26 -3.886 6.399 -8.663 148 HA ASP 26 HA ASP 26 -4.281 8.736 -7.165 149 HB2 ASP 26 1HB ASP 26 -5.657 6.101 -7.380 150 HB3 ASP 26 2HB ASP 26 -6.057 7.124 -6.003 151 H CYS 27 H CYS 27 -2.643 5.799 -6.411 152 HA CYS 27 HA CYS 27 -2.824 5.603 -3.678 153 HB2 CYS 27 1HB CYS 27 -1.470 4.195 -5.404 154 HB3 CYS 27 2HB CYS 27 -0.157 5.303 -5.023 155 HA PRO 28 HA PRO 28 -1.180 9.408 -2.146 156 HB2 PRO 28 1HB PRO 28 -0.859 8.643 0.439 157 HB3 PRO 28 2HB PRO 28 -2.439 9.007 -0.267 158 HG2 PRO 28 1HG PRO 28 -1.138 6.351 0.197 159 HG3 PRO 28 2HG PRO 28 -2.819 6.838 0.482 160 HD2 PRO 28 1HD PRO 28 -2.060 5.430 -1.703 161 HD3 PRO 28 2HD PRO 28 -3.396 6.599 -1.737 162 H ILE 29 H ILE 29 0.463 6.367 -2.023 163 HA ILE 29 HA ILE 29 2.988 7.719 -1.341 164 HB ILE 29 HB ILE 29 2.469 4.747 -1.296 165 HG12 ILE 29 1HG1 ILE 29 2.405 6.739 0.982 166 HG13 ILE 29 2HG1 ILE 29 1.026 5.851 0.343 167 HG21 ILE 29 1HG2 ILE 29 4.513 4.726 0.102 168 HG22 ILE 29 2HG2 ILE 29 4.798 5.302 -1.539 169 HG23 ILE 29 3HG2 ILE 29 4.703 6.452 -0.206 170 HD11 ILE 29 1HD1 ILE 29 1.648 4.739 2.307 171 HD12 ILE 29 2HD1 ILE 29 2.275 3.745 0.992 172 HD13 ILE 29 3HD1 ILE 29 3.362 4.798 1.898 173 H GLU 30 H GLU 30 1.667 5.177 -3.461 174 HA GLU 30 HA GLU 30 2.385 4.354 -5.467 175 HB2 GLU 30 1HB GLU 30 1.549 6.720 -5.970 176 HB3 GLU 30 2HB GLU 30 3.244 7.182 -6.053 177 HG2 GLU 30 1HG GLU 30 3.356 5.150 -7.729 178 HG3 GLU 30 2HG GLU 30 1.638 5.505 -7.901 179 H TRP 31 H TRP 31 4.364 4.477 -3.271 180 HA TRP 31 HA TRP 31 6.658 3.727 -4.803 181 HB2 TRP 31 1HB TRP 31 6.753 6.273 -3.179 182 HB3 TRP 31 2HB TRP 31 8.194 5.393 -3.682 183 HD1 TRP 31 HD TRP 31 5.634 7.852 -4.925 184 HE1 TRP 31 1HE TRP 31 6.188 8.524 -7.346 185 HE3 TRP 31 3HE TRP 31 9.237 4.367 -5.930 186 HZ2 TRP 31 2HZ TRP 31 7.923 7.688 -9.410 187 HZ3 TRP 31 3HZ TRP 31 10.294 4.371 -8.151 188 HH2 TRP 31 HH TRP 31 9.649 5.997 -9.854 189 H PHE 32 H PHE 32 7.040 1.873 -3.772 190 HA PHE 32 HA PHE 32 7.412 1.971 -0.857 191 HB2 PHE 32 1HB PHE 32 6.108 -0.312 -2.352 192 HB3 PHE 32 2HB PHE 32 6.357 -0.204 -0.613 193 HD1 PHE 32 1HD PHE 32 4.736 1.694 -3.384 194 HD2 PHE 32 2HD PHE 32 4.602 0.487 0.695 195 HE1 PHE 32 1HE PHE 32 2.537 2.770 -3.142 196 HE2 PHE 32 2HE PHE 32 2.402 1.559 0.944 197 HZ PHE 32 HZ PHE 32 1.366 2.702 -0.976 198 H HIS 33 H HIS 33 8.919 0.461 -0.004 199 HA HIS 33 HA HIS 33 11.117 -0.058 -1.780 200 HB2 HIS 33 1HB HIS 33 10.752 -0.782 1.135 201 HB3 HIS 33 2HB HIS 33 12.263 -0.884 0.235 202 HD2 HIS 33 2HD HIS 33 11.909 2.168 -1.166 203 HE1 HIS 33 1HE HIS 33 12.132 3.413 2.884 204 HE2 HIS 33 2HE HIS 33 12.238 4.140 0.475 205 H TYR 34 H TYR 34 12.086 -2.106 -2.167 206 HA TYR 34 HA TYR 34 10.210 -4.155 -2.764 207 HB2 TYR 34 1HB TYR 34 13.195 -3.912 -2.957 208 HB3 TYR 34 2HB TYR 34 12.417 -5.468 -3.223 209 HD1 TYR 34 2HD TYR 34 11.076 -2.148 -4.184 210 HD2 TYR 34 1HD TYR 34 12.845 -5.779 -5.522 211 HE1 TYR 34 2HE TYR 34 10.608 -1.512 -6.513 212 HE2 TYR 34 1HE TYR 34 12.383 -5.152 -7.855 213 HH TYR 34 HH TYR 34 11.404 -3.680 -9.207 214 H GLY 35 H GLY 35 12.477 -3.600 -0.150 215 HA2 GLY 35 1HA GLY 35 12.217 -6.257 0.938 216 HA3 GLY 35 2HA GLY 35 13.031 -4.894 1.691 217 H CYS 36 H CYS 36 10.657 -3.165 1.418 218 HA CYS 36 HA CYS 36 9.408 -3.879 3.894 219 HB2 CYS 36 1HB CYS 36 9.062 -1.623 1.936 220 HB3 CYS 36 2HB CYS 36 7.940 -1.834 3.276 221 H VAL 37 H VAL 37 8.556 -4.073 0.502 222 HA VAL 37 HA VAL 37 5.857 -4.987 1.151 223 HB VAL 37 HB VAL 37 5.436 -4.929 -1.256 224 HG11 VAL 37 1HG1 VAL 37 5.732 -2.491 -1.604 225 HG12 VAL 37 2HG1 VAL 37 5.048 -2.895 -0.028 226 HG13 VAL 37 3HG1 VAL 37 6.748 -2.444 -0.164 227 HG21 VAL 37 1HG2 VAL 37 7.096 -5.127 -2.716 228 HG22 VAL 37 2HG2 VAL 37 7.728 -3.560 -2.209 229 HG23 VAL 37 3HG2 VAL 37 8.275 -5.033 -1.408 230 H GLY 38 H GLY 38 8.947 -6.188 0.142 231 HA2 GLY 38 1HA GLY 38 9.604 -8.442 0.320 232 HA3 GLY 38 2HA GLY 38 7.911 -8.914 0.308 233 H LEU 39 H LEU 39 10.458 -7.572 -1.770 234 HA LEU 39 HA LEU 39 9.470 -9.251 -3.950 235 HB2 LEU 39 1HB LEU 39 9.736 -6.274 -3.991 236 HB3 LEU 39 2HB LEU 39 9.987 -7.202 -5.468 237 HG LEU 39 HG LEU 39 7.457 -7.332 -3.837 238 HD11 LEU 39 1HD1 LEU 39 7.132 -5.967 -6.320 239 HD12 LEU 39 2HD1 LEU 39 8.393 -5.168 -5.382 240 HD13 LEU 39 3HD1 LEU 39 6.790 -5.399 -4.685 241 HD21 LEU 39 1HD2 LEU 39 8.197 -9.170 -5.512 242 HD22 LEU 39 2HD2 LEU 39 7.760 -7.983 -6.741 243 HD23 LEU 39 3HD2 LEU 39 6.550 -8.544 -5.586 244 H THR 40 H THR 40 11.155 -10.504 -4.397 245 HA THR 40 HA THR 40 13.848 -9.803 -3.848 246 HB THR 40 HB THR 40 14.456 -11.880 -4.976 247 HG1 THR 40 1HG THR 40 13.212 -12.314 -6.647 248 HG21 THR 40 1HG2 THR 40 13.873 -12.715 -2.981 249 HG22 THR 40 2HG2 THR 40 12.378 -13.237 -3.759 250 HG23 THR 40 3HG2 THR 40 12.432 -11.703 -2.891 251 H GLU 41 H GLU 41 11.847 -9.685 -6.733 252 HA GLU 41 HA GLU 41 13.922 -8.097 -8.047 253 HB2 GLU 41 1HB GLU 41 13.790 -9.313 -10.105 254 HB3 GLU 41 2HB GLU 41 14.125 -10.468 -8.822 255 HG2 GLU 41 1HG GLU 41 11.303 -9.987 -9.641 256 HG3 GLU 41 2HG GLU 41 12.342 -10.984 -10.657 257 H ALA 42 H ALA 42 12.933 -7.298 -10.268 258 HA ALA 42 HA ALA 42 10.710 -5.676 -9.592 259 HB1 ALA 42 1HB ALA 42 10.871 -4.803 -11.827 260 HB2 ALA 42 2HB ALA 42 12.498 -5.015 -11.178 261 HB3 ALA 42 3HB ALA 42 11.851 -6.177 -12.337 262 HA PRO 43 HA PRO 43 7.447 -8.510 -10.569 263 HB2 PRO 43 1HB PRO 43 5.413 -6.714 -10.478 264 HB3 PRO 43 2HB PRO 43 6.199 -7.349 -9.028 265 HG2 PRO 43 1HG PRO 43 6.641 -4.745 -10.436 266 HG3 PRO 43 2HG PRO 43 6.519 -5.070 -8.697 267 HD2 PRO 43 1HD PRO 43 8.894 -4.725 -9.951 268 HD3 PRO 43 2HD PRO 43 8.700 -5.801 -8.553 269 H LYS 44 H LYS 44 7.755 -9.117 -12.685 270 HA LYS 44 HA LYS 44 7.742 -7.548 -14.951 271 HB2 LYS 44 1HB LYS 44 7.146 -10.409 -14.397 272 HB3 LYS 44 2HB LYS 44 6.677 -9.780 -15.971 273 HG2 LYS 44 1HG LYS 44 8.800 -10.634 -16.335 274 HG3 LYS 44 2HG LYS 44 9.089 -8.907 -16.112 275 HD2 LYS 44 1HD LYS 44 10.737 -9.955 -14.814 276 HD3 LYS 44 2HD LYS 44 9.497 -9.478 -13.652 277 HE2 LYS 44 1HE LYS 44 9.946 -11.650 -13.011 278 HE3 LYS 44 2HE LYS 44 8.558 -11.864 -14.076 279 HZ1 LYS 44 1HZ LYS 44 9.948 -13.435 -14.912 280 HZ2 LYS 44 2HZ LYS 44 11.358 -12.596 -14.500 281 HZ3 LYS 44 3HZ LYS 44 10.457 -12.124 -15.852 282 H GLY 45 H GLY 45 4.971 -9.122 -13.375 283 HA2 GLY 45 1HA GLY 45 3.099 -8.002 -15.266 284 HA3 GLY 45 2HA GLY 45 2.703 -8.941 -13.835 285 H LYS 46 H LYS 46 1.041 -7.527 -13.247 286 HA LYS 46 HA LYS 46 1.755 -4.762 -12.641 287 HB2 LYS 46 1HB LYS 46 -0.863 -6.254 -12.708 288 HB3 LYS 46 2HB LYS 46 -0.730 -4.628 -12.050 289 HG2 LYS 46 1HG LYS 46 0.250 -5.235 -14.809 290 HG3 LYS 46 2HG LYS 46 -1.463 -4.937 -14.501 291 HD2 LYS 46 1HD LYS 46 -0.547 -2.828 -13.238 292 HD3 LYS 46 2HD LYS 46 0.865 -3.083 -14.267 293 HE2 LYS 46 1HE LYS 46 -0.921 -3.243 -16.169 294 HE3 LYS 46 2HE LYS 46 -1.937 -2.372 -15.021 295 HZ1 LYS 46 1HZ LYS 46 -0.240 -0.646 -14.899 296 HZ2 LYS 46 2HZ LYS 46 -0.788 -0.848 -16.487 297 HZ3 LYS 46 3HZ LYS 46 0.713 -1.477 -16.023 298 H TRP 47 H TRP 47 2.231 -4.076 -10.659 299 HA TRP 47 HA TRP 47 1.646 -5.870 -8.395 300 HB2 TRP 47 1HB TRP 47 4.046 -5.632 -8.810 301 HB3 TRP 47 2HB TRP 47 3.903 -3.879 -8.715 302 HD1 TRP 47 HD TRP 47 4.023 -6.998 -6.526 303 HE1 TRP 47 1HE TRP 47 4.342 -6.280 -4.075 304 HE3 TRP 47 3HE TRP 47 3.420 -1.950 -7.072 305 HZ2 TRP 47 2HZ TRP 47 4.338 -3.891 -2.572 306 HZ3 TRP 47 3HZ TRP 47 3.592 -0.519 -5.078 307 HH2 TRP 47 HH TRP 47 4.041 -1.472 -2.875 308 H TYR 48 H TYR 48 0.498 -5.108 -6.716 309 HA TYR 48 HA TYR 48 -0.087 -2.221 -6.651 310 HB2 TYR 48 1HB TYR 48 -1.969 -4.536 -6.176 311 HB3 TYR 48 2HB TYR 48 -2.353 -2.870 -5.758 312 HD1 TYR 48 1HD TYR 48 -2.571 -1.168 -7.565 313 HD2 TYR 48 2HD TYR 48 -2.127 -5.312 -8.418 314 HE1 TYR 48 1HE TYR 48 -3.393 -0.779 -9.851 315 HE2 TYR 48 2HE TYR 48 -2.947 -4.935 -10.706 316 HH TYR 48 HH TYR 48 -4.099 -3.420 -12.022 317 H CYS 49 H CYS 49 0.594 -1.290 -4.850 318 HA CYS 49 HA CYS 49 1.853 -2.441 -2.736 319 HB2 CYS 49 1HB CYS 49 1.637 -0.405 -1.579 320 HB3 CYS 49 2HB CYS 49 1.536 0.050 -3.277 321 HA PRO 50 HA PRO 50 -1.040 -4.558 -0.205 322 HB2 PRO 50 1HB PRO 50 -0.036 -4.089 2.274 323 HB3 PRO 50 2HB PRO 50 0.738 -5.175 1.114 324 HG2 PRO 50 1HG PRO 50 1.399 -2.333 1.780 325 HG3 PRO 50 2HG PRO 50 2.492 -3.706 1.526 326 HD2 PRO 50 1HD PRO 50 2.026 -1.844 -0.383 327 HD3 PRO 50 2HD PRO 50 2.369 -3.542 -0.769 328 H GLN 51 H GLN 51 -0.669 -1.178 -0.004 329 HA GLN 51 HA GLN 51 -2.657 -0.757 2.045 330 HB2 GLN 51 1HB GLN 51 -0.948 0.978 0.330 331 HB3 GLN 51 2HB GLN 51 -2.417 1.677 0.997 332 HG2 GLN 51 1HG GLN 51 -1.690 1.188 3.238 333 HG3 GLN 51 2HG GLN 51 -0.268 0.343 2.626 334 HE21 GLN 51 1HE2 GLN 51 -1.757 3.427 1.721 335 HE22 GLN 51 2HE2 GLN 51 -0.351 4.389 2.010 336 H CYS 52 H CYS 52 -2.535 -0.928 -1.431 337 HA CYS 52 HA CYS 52 -5.217 0.145 -1.740 338 HB2 CYS 52 1HB CYS 52 -3.107 -0.825 -3.651 339 HB3 CYS 52 2HB CYS 52 -4.760 -0.553 -4.192 340 H THR 53 H THR 53 -3.579 -2.915 -2.566 341 HA THR 53 HA THR 53 -5.684 -4.430 -3.384 342 HB THR 53 HB THR 53 -3.551 -5.466 -1.511 343 HG1 THR 53 1HG THR 53 -3.445 -5.300 -4.352 344 HG21 THR 53 1HG2 THR 53 -4.051 -7.578 -2.248 345 HG22 THR 53 2HG2 THR 53 -4.669 -7.008 -3.799 346 HG23 THR 53 3HG2 THR 53 -5.651 -6.845 -2.344 347 H ALA 54 H ALA 54 -4.924 -3.481 -0.097 348 HA ALA 54 HA ALA 54 -6.754 -5.240 1.186 349 HB1 ALA 54 1HB ALA 54 -6.492 -3.266 2.986 350 HB2 ALA 54 2HB ALA 54 -5.281 -4.526 2.742 351 HB3 ALA 54 3HB ALA 54 -5.077 -2.947 1.983 352 H ALA 55 H ALA 55 -6.955 -1.897 0.049 353 HA ALA 55 HA ALA 55 -9.593 -1.467 1.069 354 HB1 ALA 55 1HB ALA 55 -8.874 0.270 -1.130 355 HB2 ALA 55 2HB ALA 55 -9.183 0.660 0.562 356 HB3 ALA 55 3HB ALA 55 -7.575 0.144 0.056 357 H MET 56 H MET 56 -8.245 -2.197 -2.134 358 HA MET 56 HA MET 56 -10.664 -2.115 -3.557 359 HB2 MET 56 1HB MET 56 -8.153 -3.710 -4.096 360 HB3 MET 56 2HB MET 56 -9.468 -3.500 -5.245 361 HG2 MET 56 1HG MET 56 -9.064 -0.995 -4.980 362 HG3 MET 56 2HG MET 56 -7.549 -1.450 -4.205 363 HE1 MET 56 1HE MET 56 -5.197 -1.634 -6.185 364 HE2 MET 56 2HE MET 56 -5.884 -2.781 -5.035 365 HE3 MET 56 3HE MET 56 -5.569 -3.280 -6.698 366 H LYS 57 H LYS 57 -9.093 -4.692 -1.746 367 HA LYS 57 HA LYS 57 -10.737 -6.814 -2.592 368 HB2 LYS 57 1HB LYS 57 -8.896 -6.322 -0.310 369 HB3 LYS 57 2HB LYS 57 -10.046 -7.643 -0.143 370 HG2 LYS 57 1HG LYS 57 -9.161 -8.347 -2.487 371 HG3 LYS 57 2HG LYS 57 -7.780 -7.335 -2.057 372 HD2 LYS 57 1HD LYS 57 -8.755 -9.331 -0.073 373 HD3 LYS 57 2HD LYS 57 -7.838 -9.908 -1.467 374 HE2 LYS 57 1HE LYS 57 -6.126 -9.529 -0.002 375 HE3 LYS 57 2HE LYS 57 -6.217 -7.946 -0.774 376 HZ1 LYS 57 1HZ LYS 57 -7.969 -7.682 1.240 377 HZ2 LYS 57 2HZ LYS 57 -6.347 -7.211 1.321 378 HZ3 LYS 57 3HZ LYS 57 -6.825 -8.709 1.945 379 H ARG 58 H ARG 58 -11.017 -4.541 0.106 380 HA ARG 58 HA ARG 58 -13.118 -5.613 1.504 381 HB2 ARG 58 1HB ARG 58 -12.308 -2.783 0.937 382 HB3 ARG 58 2HB ARG 58 -13.776 -3.109 1.848 383 HG2 ARG 58 1HG ARG 58 -12.273 -4.573 3.337 384 HG3 ARG 58 2HG ARG 58 -10.938 -3.702 2.579 385 HD2 ARG 58 1HD ARG 58 -13.257 -2.423 4.023 386 HD3 ARG 58 2HD ARG 58 -11.654 -2.686 4.709 387 HE ARG 58 HE ARG 58 -11.143 -1.263 2.465 388 HH11 ARG 58 2HH1 ARG 58 -13.289 -0.792 5.166 389 HH12 ARG 58 1HH1 ARG 58 -13.224 0.938 5.083 390 HH21 ARG 58 2HH2 ARG 58 -11.050 1.013 2.346 391 HH22 ARG 58 1HH2 ARG 58 -11.951 1.963 3.478 392 H ARG 59 H ARG 59 -13.308 -3.517 -1.360 393 HA ARG 59 HA ARG 59 -16.096 -3.361 -1.514 394 HB2 ARG 59 1HB ARG 59 -13.967 -3.191 -3.646 395 HB3 ARG 59 2HB ARG 59 -15.671 -2.902 -3.972 396 HG2 ARG 59 1HG ARG 59 -15.480 -1.179 -2.038 397 HG3 ARG 59 2HG ARG 59 -13.750 -1.276 -2.371 398 HD2 ARG 59 1HD ARG 59 -13.978 -0.391 -4.496 399 HD3 ARG 59 2HD ARG 59 -15.676 -0.852 -4.615 400 HE ARG 59 HE ARG 59 -15.732 0.965 -2.647 401 HH11 ARG 59 2HH1 ARG 59 -14.254 1.001 -5.799 402 HH12 ARG 59 1HH1 ARG 59 -14.405 2.717 -5.994 403 HH21 ARG 59 2HH2 ARG 59 -15.935 3.224 -2.891 404 HH22 ARG 59 1HH2 ARG 59 -15.360 3.980 -4.338 405 H GLY 60 H GLY 60 -13.865 -5.853 -2.525 406 HA2 GLY 60 1HA GLY 60 -15.634 -7.264 -4.237 407 HA3 GLY 60 2HA GLY 60 -14.189 -7.918 -3.480 408 H SER 61 H SER 61 -16.075 -9.690 -3.669 409 HA SER 61 HA SER 61 -18.035 -9.680 -1.617 410 HB2 SER 61 1HB SER 61 -16.957 -11.712 -3.523 411 HB3 SER 61 2HB SER 61 -17.901 -12.275 -2.143 412 HG SER 61 HG SER 61 -19.524 -11.825 -3.411 413 H ARG 62 H ARG 62 -17.072 -9.242 0.353 414 HA ARG 62 HA ARG 62 -15.611 -11.491 1.525 415 HB2 ARG 62 1HB ARG 62 -14.634 -8.694 1.251 416 HB3 ARG 62 2HB ARG 62 -14.300 -9.524 2.766 417 HG2 ARG 62 1HG ARG 62 -13.479 -11.428 1.130 418 HG3 ARG 62 2HG ARG 62 -13.265 -10.057 0.039 419 HD2 ARG 62 1HD ARG 62 -11.218 -10.095 1.068 420 HD3 ARG 62 2HD ARG 62 -12.090 -8.988 2.128 421 HE ARG 62 HE ARG 62 -11.952 -10.539 3.808 422 HH11 ARG 62 2HH1 ARG 62 -11.182 -12.062 0.773 423 HH12 ARG 62 1HH1 ARG 62 -10.662 -13.546 1.501 424 HH21 ARG 62 2HH2 ARG 62 -11.269 -12.488 4.778 425 HH22 ARG 62 1HH2 ARG 62 -10.713 -13.787 3.779 426 H HIS 63 H HIS 63 -15.372 -11.076 3.991 427 HA HIS 63 HA HIS 63 -17.946 -10.023 4.962 428 HB2 HIS 63 1HB HIS 63 -17.295 -12.559 5.155 429 HB3 HIS 63 2HB HIS 63 -16.327 -12.006 6.518 430 HD1 HIS 63 1HD HIS 63 -17.523 -11.661 8.687 431 HD2 HIS 63 2HD HIS 63 -20.135 -12.028 5.478 432 HE1 HIS 63 1HE HIS 63 -19.821 -11.775 9.701 433 HE2 HIS 63 2HE HIS 63 -21.379 -12.082 7.746 434 H LYS 64 H LYS 64 -15.790 -8.290 4.607 435 HA LYS 64 HA LYS 64 -14.370 -7.939 7.077 436 HB2 LYS 64 1HB LYS 64 -14.666 -6.205 4.624 437 HB3 LYS 64 2HB LYS 64 -13.688 -5.748 6.013 438 HG2 LYS 64 1HG LYS 64 -13.262 -8.303 4.491 439 HG3 LYS 64 2HG LYS 64 -12.458 -6.787 4.078 440 HD2 LYS 64 1HD LYS 64 -12.340 -7.904 6.860 441 HD3 LYS 64 2HD LYS 64 -11.224 -8.451 5.607 442 HE2 LYS 64 1HE LYS 64 -11.603 -5.532 6.174 443 HE3 LYS 64 2HE LYS 64 -10.509 -6.510 7.152 444 HZ1 LYS 64 1HZ LYS 64 -9.457 -7.183 4.977 445 HZ2 LYS 64 2HZ LYS 64 -9.203 -5.581 5.459 446 HZ3 LYS 64 3HZ LYS 64 -10.337 -5.932 4.254 447 H SER 65 H SER 65 -14.540 -6.063 8.453 448 HA SER 65 HA SER 65 -17.327 -5.230 8.784 449 HB2 SER 65 1HB SER 65 -16.684 -4.604 11.062 450 HB3 SER 65 2HB SER 65 -16.198 -6.265 10.724 451 HG SER 65 HG SER 65 -14.495 -5.186 11.708 452 H GLY 66 H GLY 66 -17.323 -2.928 10.020 453 HA2 GLY 66 1HA GLY 66 -16.246 -1.090 8.023 454 HA3 GLY 66 2HA GLY 66 -17.457 -0.712 9.239 455 HA PRO 67 HA PRO 67 -12.911 0.305 10.536 456 HB2 PRO 67 1HB PRO 67 -12.482 2.702 9.336 457 HB3 PRO 67 2HB PRO 67 -12.017 1.163 8.602 458 HG2 PRO 67 1HG PRO 67 -14.430 2.856 8.081 459 HG3 PRO 67 2HG PRO 67 -13.382 2.015 6.924 460 HD2 PRO 67 1HD PRO 67 -15.781 1.029 7.701 461 HD3 PRO 67 2HD PRO 67 -14.410 -0.017 7.277 462 H SER 68 H SER 68 -15.980 1.737 10.439 463 HA SER 68 HA SER 68 -15.948 4.118 11.657 464 HB2 SER 68 1HB SER 68 -17.955 2.578 11.213 465 HB3 SER 68 2HB SER 68 -17.659 1.927 12.825 466 HG SER 68 HG SER 68 -17.778 4.696 12.577 467 H SER 69 H SER 69 -14.465 4.793 13.081 468 HA SER 69 HA SER 69 -13.881 3.118 15.421 469 HB2 SER 69 1HB SER 69 -12.388 5.468 14.237 470 HB3 SER 69 2HB SER 69 -11.922 4.647 15.726 471 HG SER 69 HG SER 69 -10.842 3.415 14.402 472 H GLY 70 H GLY 70 -14.342 3.764 17.459 473 HA2 GLY 70 1HA GLY 70 -15.605 6.421 17.755 474 HA3 GLY 70 2HA GLY 70 -16.186 4.987 18.587 Start of MODEL 4 1 H1 GLY 1 H GLY 1 7.378 28.612 4.931 2 HA2 GLY 1 1HA GLY 1 6.046 28.100 6.796 3 HA3 GLY 1 2HA GLY 1 5.256 26.841 5.859 4 H SER 2 H SER 2 5.494 25.099 7.148 5 HA SER 2 HA SER 2 8.060 24.535 8.388 6 HB2 SER 2 1HB SER 2 5.425 23.047 8.484 7 HB3 SER 2 2HB SER 2 6.863 22.604 9.403 8 HG SER 2 HG SER 2 5.162 24.815 9.703 9 H SER 3 H SER 3 9.315 22.708 7.986 10 HA SER 3 HA SER 3 8.687 21.252 5.503 11 HB2 SER 3 1HB SER 3 10.934 21.391 4.769 12 HB3 SER 3 2HB SER 3 10.536 23.018 5.322 13 HG SER 3 HG SER 3 12.161 22.826 6.623 14 H GLY 4 H GLY 4 10.077 19.211 5.319 15 HA2 GLY 4 1HA GLY 4 11.221 17.426 6.442 16 HA3 GLY 4 2HA GLY 4 10.548 18.002 7.960 17 H SER 5 H SER 5 9.709 15.991 8.517 18 HA SER 5 HA SER 5 8.238 14.247 8.544 19 HB2 SER 5 1HB SER 5 6.801 16.467 8.666 20 HB3 SER 5 2HB SER 5 6.223 15.913 7.095 21 HG SER 5 HG SER 5 6.148 14.457 9.531 22 H SER 6 H SER 6 9.989 14.164 6.373 23 HA SER 6 HA SER 6 8.522 13.605 3.960 24 HB2 SER 6 1HB SER 6 11.419 13.242 4.735 25 HB3 SER 6 2HB SER 6 10.784 12.784 3.155 26 HG SER 6 HG SER 6 11.717 14.969 3.375 27 H GLY 7 H GLY 7 7.588 11.747 3.424 28 HA2 GLY 7 1HA GLY 7 8.686 9.196 4.023 29 HA3 GLY 7 2HA GLY 7 7.359 9.560 5.116 30 H TYR 8 H TYR 8 8.113 8.039 2.319 31 HA TYR 8 HA TYR 8 5.462 8.507 1.128 32 HB2 TYR 8 1HB TYR 8 8.108 7.719 -0.030 33 HB3 TYR 8 2HB TYR 8 6.630 7.229 -0.850 34 HD1 TYR 8 1HD TYR 8 8.533 10.175 0.349 35 HD2 TYR 8 2HD TYR 8 5.414 8.759 -2.174 36 HE1 TYR 8 1HE TYR 8 8.403 12.386 -0.722 37 HE2 TYR 8 2HE TYR 8 5.276 10.965 -3.253 38 HH TYR 8 HH TYR 8 7.589 13.239 -3.090 39 H CYS 9 H CYS 9 7.793 5.808 1.205 40 HA CYS 9 HA CYS 9 6.062 3.729 0.816 41 HB2 CYS 9 1HB CYS 9 8.509 3.478 0.935 42 HB3 CYS 9 2HB CYS 9 8.449 3.733 2.676 43 H ILE 10 H ILE 10 5.263 2.087 2.367 44 HA ILE 10 HA ILE 10 3.423 3.129 4.150 45 HB ILE 10 HB ILE 10 3.397 0.792 5.162 46 HG12 ILE 10 1HG1 ILE 10 5.234 0.147 2.856 47 HG13 ILE 10 2HG1 ILE 10 5.821 0.373 4.500 48 HG21 ILE 10 1HG2 ILE 10 1.941 1.593 3.306 49 HG22 ILE 10 2HG2 ILE 10 3.115 0.936 2.166 50 HG23 ILE 10 3HG2 ILE 10 2.261 -0.141 3.271 51 HD11 ILE 10 1HD1 ILE 10 4.746 -1.540 5.271 52 HD12 ILE 10 2HD1 ILE 10 3.667 -1.608 3.877 53 HD13 ILE 10 3HD1 ILE 10 5.375 -2.005 3.690 54 H CYS 11 H CYS 11 6.780 2.369 4.635 55 HA CYS 11 HA CYS 11 6.638 2.462 7.513 56 HB2 CYS 11 1HB CYS 11 9.104 2.320 7.403 57 HB3 CYS 11 2HB CYS 11 8.322 1.063 6.450 58 H ASN 12 H ASN 12 6.033 4.796 5.493 59 HA ASN 12 HA ASN 12 6.285 7.062 5.405 60 HB2 ASN 12 1HB ASN 12 6.635 6.584 8.371 61 HB3 ASN 12 2HB ASN 12 6.382 8.171 7.649 62 HD21 ASN 12 1HD2 ASN 12 4.399 8.800 8.074 63 HD22 ASN 12 2HD2 ASN 12 2.972 7.835 7.932 64 H GLN 13 H GLN 13 8.525 6.004 4.474 65 HA GLN 13 HA GLN 13 10.646 7.647 5.687 66 HB2 GLN 13 1HB GLN 13 10.902 4.874 4.517 67 HB3 GLN 13 2HB GLN 13 12.270 5.899 4.930 68 HG2 GLN 13 1HG GLN 13 10.242 5.366 7.029 69 HG3 GLN 13 2HG GLN 13 11.346 4.065 6.583 70 HE21 GLN 13 1HE2 GLN 13 11.113 7.312 7.859 71 HE22 GLN 13 2HE2 GLN 13 12.669 7.337 8.609 72 H VAL 14 H VAL 14 12.349 8.297 4.178 73 HA VAL 14 HA VAL 14 11.358 9.505 1.879 74 HB VAL 14 HB VAL 14 13.770 9.765 1.206 75 HG11 VAL 14 1HG1 VAL 14 13.193 10.498 4.072 76 HG12 VAL 14 2HG1 VAL 14 14.279 11.325 2.954 77 HG13 VAL 14 3HG1 VAL 14 12.537 11.354 2.677 78 HG21 VAL 14 1HG2 VAL 14 15.154 9.105 3.473 79 HG22 VAL 14 2HG2 VAL 14 14.052 7.739 3.295 80 HG23 VAL 14 3HG2 VAL 14 15.143 8.171 1.978 81 H SER 15 H SER 15 11.825 9.118 -0.362 82 HA SER 15 HA SER 15 11.552 6.326 -1.052 83 HB2 SER 15 1HB SER 15 11.140 7.122 -3.313 84 HB3 SER 15 2HB SER 15 10.209 8.095 -2.175 85 HG SER 15 HG SER 15 12.138 9.554 -2.285 86 H TYR 16 H TYR 16 13.536 5.386 -0.603 87 HA TYR 16 HA TYR 16 15.720 6.182 -2.411 88 HB2 TYR 16 1HB TYR 16 17.350 5.762 -0.730 89 HB3 TYR 16 2HB TYR 16 16.119 6.770 0.022 90 HD1 TYR 16 1HD TYR 16 17.614 3.426 -0.090 91 HD2 TYR 16 2HD TYR 16 14.677 5.887 1.760 92 HE1 TYR 16 1HE TYR 16 17.356 1.761 1.702 93 HE2 TYR 16 2HE TYR 16 14.412 4.230 3.558 94 HH TYR 16 HH TYR 16 16.585 1.739 4.097 95 H GLY 17 H GLY 17 17.407 4.312 -2.512 96 HA2 GLY 17 1HA GLY 17 17.834 2.210 -3.334 97 HA3 GLY 17 2HA GLY 17 16.758 1.657 -2.060 98 H GLU 18 H GLU 18 16.504 0.011 -3.917 99 HA GLU 18 HA GLU 18 15.050 0.660 -6.226 100 HB2 GLU 18 1HB GLU 18 15.611 -1.840 -4.709 101 HB3 GLU 18 2HB GLU 18 14.308 -1.878 -5.888 102 HG2 GLU 18 1HG GLU 18 16.154 -0.767 -7.421 103 HG3 GLU 18 2HG GLU 18 17.230 -1.590 -6.293 104 H MET 19 H MET 19 13.079 1.486 -6.359 105 HA MET 19 HA MET 19 11.073 0.663 -4.363 106 HB2 MET 19 1HB MET 19 11.459 3.345 -5.693 107 HB3 MET 19 2HB MET 19 10.008 2.911 -4.799 108 HG2 MET 19 1HG MET 19 11.788 2.328 -2.928 109 HG3 MET 19 2HG MET 19 12.738 3.514 -3.820 110 HE1 MET 19 1HE MET 19 9.578 2.956 -1.485 111 HE2 MET 19 2HE MET 19 8.626 4.376 -1.920 112 HE3 MET 19 3HE MET 19 8.941 3.123 -3.121 113 H VAL 20 H VAL 20 9.009 0.198 -5.079 114 HA VAL 20 HA VAL 20 8.718 -0.044 -8.002 115 HB VAL 20 HB VAL 20 8.763 -2.220 -6.932 116 HG11 VAL 20 1HG1 VAL 20 7.920 -2.577 -4.911 117 HG12 VAL 20 2HG1 VAL 20 7.358 -0.904 -4.872 118 HG13 VAL 20 3HG1 VAL 20 6.301 -2.177 -5.484 119 HG21 VAL 20 1HG2 VAL 20 6.835 -1.328 -8.668 120 HG22 VAL 20 2HG2 VAL 20 7.158 -3.016 -8.274 121 HG23 VAL 20 3HG2 VAL 20 5.887 -2.140 -7.422 122 H GLY 21 H GLY 21 7.539 1.649 -8.675 123 HA2 GLY 21 1HA GLY 21 5.616 3.011 -7.120 124 HA3 GLY 21 2HA GLY 21 5.806 3.143 -8.863 125 H CYS 22 H CYS 22 3.599 2.512 -6.610 126 HA CYS 22 HA CYS 22 2.327 0.148 -7.218 127 HB2 CYS 22 1HB CYS 22 1.652 1.710 -5.408 128 HB3 CYS 22 2HB CYS 22 0.970 2.786 -6.623 129 H ASP 23 H ASP 23 1.121 -0.624 -8.851 130 HA ASP 23 HA ASP 23 1.235 0.458 -11.401 131 HB2 ASP 23 1HB ASP 23 -0.381 -1.672 -10.097 132 HB3 ASP 23 2HB ASP 23 -0.933 -1.087 -11.664 133 H ASN 24 H ASN 24 -0.952 1.137 -8.806 134 HA ASN 24 HA ASN 24 -2.825 2.529 -10.554 135 HB2 ASN 24 1HB ASN 24 -3.569 1.095 -8.597 136 HB3 ASN 24 2HB ASN 24 -2.923 2.348 -7.541 137 HD21 ASN 24 1HD2 ASN 24 -4.865 2.922 -6.662 138 HD22 ASN 24 2HD2 ASN 24 -6.114 3.714 -7.555 139 H GLN 25 H GLN 25 -2.050 4.437 -11.241 140 HA GLN 25 HA GLN 25 -0.209 6.076 -9.974 141 HB2 GLN 25 1HB GLN 25 -0.488 6.719 -12.147 142 HB3 GLN 25 2HB GLN 25 -2.224 6.443 -12.120 143 HG2 GLN 25 1HG GLN 25 -2.691 8.536 -11.363 144 HG3 GLN 25 2HG GLN 25 -1.157 8.690 -10.508 145 HE21 GLN 25 1HE2 GLN 25 -2.633 8.682 -13.703 146 HE22 GLN 25 2HE2 GLN 25 -1.447 9.689 -14.454 147 H ASP 26 H ASP 26 -3.676 5.855 -9.554 148 HA ASP 26 HA ASP 26 -4.135 8.251 -8.187 149 HB2 ASP 26 1HB ASP 26 -5.542 5.627 -7.665 150 HB3 ASP 26 2HB ASP 26 -6.175 7.249 -7.398 151 H CYS 27 H CYS 27 -2.527 5.373 -7.204 152 HA CYS 27 HA CYS 27 -2.864 5.290 -4.481 153 HB2 CYS 27 1HB CYS 27 -1.403 3.819 -6.043 154 HB3 CYS 27 2HB CYS 27 -0.127 4.977 -5.681 155 HA PRO 28 HA PRO 28 -1.369 9.184 -3.021 156 HB2 PRO 28 1HB PRO 28 -1.194 8.534 -0.391 157 HB3 PRO 28 2HB PRO 28 -2.733 8.841 -1.204 158 HG2 PRO 28 1HG PRO 28 -1.425 6.229 -0.549 159 HG3 PRO 28 2HG PRO 28 -3.127 6.700 -0.387 160 HD2 PRO 28 1HD PRO 28 -2.219 5.214 -2.460 161 HD3 PRO 28 2HD PRO 28 -3.566 6.358 -2.623 162 H ILE 29 H ILE 29 0.295 6.168 -2.599 163 HA ILE 29 HA ILE 29 2.752 7.579 -1.815 164 HB ILE 29 HB ILE 29 2.250 4.603 -1.769 165 HG12 ILE 29 1HG1 ILE 29 2.177 6.566 0.532 166 HG13 ILE 29 2HG1 ILE 29 0.756 5.846 -0.217 167 HG21 ILE 29 1HG2 ILE 29 4.410 6.253 -0.465 168 HG22 ILE 29 2HG2 ILE 29 4.249 4.498 -0.411 169 HG23 ILE 29 3HG2 ILE 29 4.608 5.304 -1.938 170 HD11 ILE 29 1HD1 ILE 29 1.271 4.684 1.815 171 HD12 ILE 29 2HD1 ILE 29 1.591 3.619 0.445 172 HD13 ILE 29 3HD1 ILE 29 2.929 4.406 1.283 173 H GLU 30 H GLU 30 1.529 5.129 -4.078 174 HA GLU 30 HA GLU 30 2.420 4.273 -6.007 175 HB2 GLU 30 1HB GLU 30 1.604 6.633 -6.560 176 HB3 GLU 30 2HB GLU 30 3.295 7.111 -6.519 177 HG2 GLU 30 1HG GLU 30 3.525 5.067 -8.188 178 HG3 GLU 30 2HG GLU 30 1.835 5.460 -8.497 179 H TRP 31 H TRP 31 4.251 4.431 -3.673 180 HA TRP 31 HA TRP 31 6.644 3.680 -5.046 181 HB2 TRP 31 1HB TRP 31 6.626 6.233 -3.429 182 HB3 TRP 31 2HB TRP 31 8.097 5.362 -3.854 183 HD1 TRP 31 HD TRP 31 5.593 7.806 -5.231 184 HE1 TRP 31 1HE TRP 31 6.271 8.482 -7.620 185 HE3 TRP 31 3HE TRP 31 9.264 4.342 -6.044 186 HZ2 TRP 31 2HZ TRP 31 8.117 7.656 -9.589 187 HZ3 TRP 31 3HZ TRP 31 10.437 4.352 -8.207 188 HH2 TRP 31 HH TRP 31 9.874 5.975 -9.941 189 H PHE 32 H PHE 32 6.925 1.825 -3.979 190 HA PHE 32 HA PHE 32 7.099 1.947 -1.044 191 HB2 PHE 32 1HB PHE 32 5.937 -0.341 -2.647 192 HB3 PHE 32 2HB PHE 32 6.093 -0.274 -0.895 193 HD1 PHE 32 1HD PHE 32 4.495 1.473 -3.759 194 HD2 PHE 32 2HD PHE 32 4.356 0.555 0.394 195 HE1 PHE 32 1HE PHE 32 2.269 2.510 -3.608 196 HE2 PHE 32 2HE PHE 32 2.129 1.589 0.552 197 HZ PHE 32 HZ PHE 32 1.082 2.568 -1.451 198 H HIS 33 H HIS 33 8.632 0.593 -0.072 199 HA HIS 33 HA HIS 33 10.947 0.077 -1.666 200 HB2 HIS 33 1HB HIS 33 10.393 -0.692 1.207 201 HB3 HIS 33 2HB HIS 33 11.970 -0.679 0.423 202 HD2 HIS 33 2HD HIS 33 11.444 2.385 -0.957 203 HE1 HIS 33 1HE HIS 33 11.426 3.535 3.127 204 HE2 HIS 33 2HE HIS 33 11.565 4.332 0.742 205 H TYR 34 H TYR 34 12.020 -1.962 -1.906 206 HA TYR 34 HA TYR 34 10.248 -4.056 -2.670 207 HB2 TYR 34 1HB TYR 34 13.223 -3.708 -2.627 208 HB3 TYR 34 2HB TYR 34 12.542 -5.308 -2.899 209 HD1 TYR 34 2HD TYR 34 10.955 -2.198 -4.077 210 HD2 TYR 34 1HD TYR 34 13.338 -5.558 -5.143 211 HE1 TYR 34 2HE TYR 34 10.643 -1.657 -6.456 212 HE2 TYR 34 1HE TYR 34 13.033 -5.026 -7.525 213 HH TYR 34 HH TYR 34 10.726 -3.134 -8.706 214 H GLY 35 H GLY 35 12.445 -3.547 0.049 215 HA2 GLY 35 1HA GLY 35 12.088 -6.164 1.147 216 HA3 GLY 35 2HA GLY 35 12.815 -4.784 1.959 217 H CYS 36 H CYS 36 10.349 -3.168 1.392 218 HA CYS 36 HA CYS 36 8.968 -3.852 3.815 219 HB2 CYS 36 1HB CYS 36 8.741 -1.657 1.786 220 HB3 CYS 36 2HB CYS 36 7.448 -1.900 2.956 221 H VAL 37 H VAL 37 8.252 -3.972 0.359 222 HA VAL 37 HA VAL 37 5.623 -5.122 0.881 223 HB VAL 37 HB VAL 37 5.186 -4.908 -1.459 224 HG11 VAL 37 1HG1 VAL 37 5.741 -2.474 -1.835 225 HG12 VAL 37 2HG1 VAL 37 4.904 -2.847 -0.327 226 HG13 VAL 37 3HG1 VAL 37 6.640 -2.533 -0.320 227 HG21 VAL 37 1HG2 VAL 37 7.276 -5.708 -2.358 228 HG22 VAL 37 2HG2 VAL 37 6.919 -4.122 -3.043 229 HG23 VAL 37 3HG2 VAL 37 8.120 -4.278 -1.761 230 H GLY 38 H GLY 38 8.821 -6.109 0.124 231 HA2 GLY 38 1HA GLY 38 9.643 -8.290 0.157 232 HA3 GLY 38 2HA GLY 38 7.990 -8.887 0.139 233 H LEU 39 H LEU 39 10.352 -7.232 -1.946 234 HA LEU 39 HA LEU 39 9.428 -8.923 -4.165 235 HB2 LEU 39 1HB LEU 39 9.709 -5.956 -4.074 236 HB3 LEU 39 2HB LEU 39 10.046 -6.802 -5.582 237 HG LEU 39 HG LEU 39 7.431 -6.921 -4.081 238 HD11 LEU 39 1HD1 LEU 39 8.160 -5.395 -6.577 239 HD12 LEU 39 2HD1 LEU 39 7.864 -4.690 -4.988 240 HD13 LEU 39 3HD1 LEU 39 6.557 -5.501 -5.850 241 HD21 LEU 39 1HD2 LEU 39 8.408 -8.102 -6.661 242 HD22 LEU 39 2HD2 LEU 39 6.693 -7.815 -6.366 243 HD23 LEU 39 3HD2 LEU 39 7.600 -8.901 -5.312 244 H THR 40 H THR 40 11.232 -10.258 -3.868 245 HA THR 40 HA THR 40 13.868 -9.543 -3.542 246 HB THR 40 HB THR 40 14.491 -11.674 -4.535 247 HG1 THR 40 1HG THR 40 13.331 -12.197 -6.236 248 HG21 THR 40 1HG2 THR 40 12.341 -12.960 -3.367 249 HG22 THR 40 2HG2 THR 40 12.369 -11.391 -2.563 250 HG23 THR 40 3HG2 THR 40 13.801 -12.419 -2.540 251 H GLU 41 H GLU 41 11.954 -9.556 -6.491 252 HA GLU 41 HA GLU 41 14.020 -7.968 -7.798 253 HB2 GLU 41 1HB GLU 41 14.294 -9.334 -9.667 254 HB3 GLU 41 2HB GLU 41 14.279 -10.483 -8.335 255 HG2 GLU 41 1HG GLU 41 11.694 -10.535 -8.891 256 HG3 GLU 41 2HG GLU 41 12.279 -10.027 -10.474 257 H ALA 42 H ALA 42 13.089 -7.509 -10.191 258 HA ALA 42 HA ALA 42 10.800 -5.902 -9.789 259 HB1 ALA 42 1HB ALA 42 12.783 -6.150 -11.740 260 HB2 ALA 42 2HB ALA 42 11.259 -6.453 -12.575 261 HB3 ALA 42 3HB ALA 42 11.488 -4.954 -11.675 262 HA PRO 43 HA PRO 43 7.646 -8.966 -10.349 263 HB2 PRO 43 1HB PRO 43 5.548 -7.248 -10.489 264 HB3 PRO 43 2HB PRO 43 6.357 -7.655 -8.971 265 HG2 PRO 43 1HG PRO 43 6.706 -5.248 -10.717 266 HG3 PRO 43 2HG PRO 43 6.594 -5.342 -8.950 267 HD2 PRO 43 1HD PRO 43 8.956 -5.084 -10.249 268 HD3 PRO 43 2HD PRO 43 8.800 -5.969 -8.718 269 H LYS 44 H LYS 44 8.253 -9.693 -12.434 270 HA LYS 44 HA LYS 44 8.152 -8.545 -14.856 271 HB2 LYS 44 1HB LYS 44 7.437 -11.274 -13.917 272 HB3 LYS 44 2HB LYS 44 7.012 -10.856 -15.571 273 HG2 LYS 44 1HG LYS 44 9.264 -10.484 -16.162 274 HG3 LYS 44 2HG LYS 44 9.784 -10.493 -14.475 275 HD2 LYS 44 1HD LYS 44 10.420 -12.592 -15.317 276 HD3 LYS 44 2HD LYS 44 8.942 -12.900 -14.404 277 HE2 LYS 44 1HE LYS 44 8.860 -12.344 -17.349 278 HE3 LYS 44 2HE LYS 44 9.199 -13.963 -16.739 279 HZ1 LYS 44 1HZ LYS 44 6.718 -12.753 -17.069 280 HZ2 LYS 44 2HZ LYS 44 6.956 -12.914 -15.402 281 HZ3 LYS 44 3HZ LYS 44 7.047 -14.274 -16.405 282 H GLY 45 H GLY 45 5.287 -9.917 -13.237 283 HA2 GLY 45 1HA GLY 45 3.529 -8.811 -15.257 284 HA3 GLY 45 2HA GLY 45 3.046 -9.747 -13.851 285 H LYS 46 H LYS 46 1.326 -8.147 -13.678 286 HA LYS 46 HA LYS 46 1.998 -5.436 -13.005 287 HB2 LYS 46 1HB LYS 46 -0.601 -6.967 -12.817 288 HB3 LYS 46 2HB LYS 46 -0.439 -5.249 -12.480 289 HG2 LYS 46 1HG LYS 46 0.399 -6.399 -15.115 290 HG3 LYS 46 2HG LYS 46 -1.280 -5.962 -14.790 291 HD2 LYS 46 1HD LYS 46 -0.665 -3.680 -14.367 292 HD3 LYS 46 2HD LYS 46 1.052 -4.078 -14.464 293 HE2 LYS 46 1HE LYS 46 -0.678 -4.709 -16.799 294 HE3 LYS 46 2HE LYS 46 -0.253 -3.023 -16.509 295 HZ1 LYS 46 1HZ LYS 46 2.130 -3.957 -16.329 296 HZ2 LYS 46 2HZ LYS 46 1.445 -3.749 -17.862 297 HZ3 LYS 46 3HZ LYS 46 1.507 -5.290 -17.167 298 H TRP 47 H TRP 47 2.126 -4.498 -11.024 299 HA TRP 47 HA TRP 47 1.769 -6.254 -8.684 300 HB2 TRP 47 1HB TRP 47 4.154 -5.902 -9.117 301 HB3 TRP 47 2HB TRP 47 3.911 -4.157 -9.101 302 HD1 TRP 47 HD TRP 47 4.058 -7.179 -6.750 303 HE1 TRP 47 1HE TRP 47 4.388 -6.329 -4.343 304 HE3 TRP 47 3HE TRP 47 3.519 -2.164 -7.580 305 HZ2 TRP 47 2HZ TRP 47 4.415 -3.859 -2.977 306 HZ3 TRP 47 3HZ TRP 47 3.711 -0.625 -5.670 307 HH2 TRP 47 HH TRP 47 4.149 -1.457 -3.417 308 H TYR 48 H TYR 48 0.845 -5.367 -6.864 309 HA TYR 48 HA TYR 48 0.039 -2.547 -6.989 310 HB2 TYR 48 1HB TYR 48 -1.787 -4.888 -6.416 311 HB3 TYR 48 2HB TYR 48 -2.219 -3.205 -6.131 312 HD1 TYR 48 1HD TYR 48 -2.177 -1.621 -8.151 313 HD2 TYR 48 2HD TYR 48 -2.145 -5.860 -8.509 314 HE1 TYR 48 1HE TYR 48 -2.962 -1.424 -10.474 315 HE2 TYR 48 2HE TYR 48 -2.928 -5.676 -10.834 316 HH TYR 48 HH TYR 48 -2.677 -3.326 -12.679 317 H CYS 49 H CYS 49 0.669 -1.539 -5.212 318 HA CYS 49 HA CYS 49 1.935 -2.598 -3.047 319 HB2 CYS 49 1HB CYS 49 1.668 -0.526 -1.962 320 HB3 CYS 49 2HB CYS 49 1.590 -0.134 -3.677 321 HA PRO 50 HA PRO 50 -0.954 -4.670 -0.474 322 HB2 PRO 50 1HB PRO 50 0.012 -4.097 1.997 323 HB3 PRO 50 2HB PRO 50 0.817 -5.211 0.886 324 HG2 PRO 50 1HG PRO 50 1.425 -2.336 1.457 325 HG3 PRO 50 2HG PRO 50 2.543 -3.699 1.265 326 HD2 PRO 50 1HD PRO 50 2.070 -1.914 -0.715 327 HD3 PRO 50 2HD PRO 50 2.445 -3.619 -1.036 328 H GLN 51 H GLN 51 -0.642 -1.280 -0.394 329 HA GLN 51 HA GLN 51 -2.655 -0.814 1.619 330 HB2 GLN 51 1HB GLN 51 -0.948 0.874 -0.137 331 HB3 GLN 51 2HB GLN 51 -2.448 1.578 0.452 332 HG2 GLN 51 1HG GLN 51 -1.544 0.643 2.759 333 HG3 GLN 51 2HG GLN 51 0.002 0.814 1.930 334 HE21 GLN 51 1HE2 GLN 51 -0.295 3.038 0.462 335 HE22 GLN 51 2HE2 GLN 51 -0.579 4.409 1.473 336 H CYS 52 H CYS 52 -2.498 -1.093 -1.853 337 HA CYS 52 HA CYS 52 -5.199 -0.094 -2.218 338 HB2 CYS 52 1HB CYS 52 -3.062 -1.103 -4.080 339 HB3 CYS 52 2HB CYS 52 -4.714 -0.866 -4.639 340 H THR 53 H THR 53 -3.509 -3.147 -2.967 341 HA THR 53 HA THR 53 -5.595 -4.721 -3.715 342 HB THR 53 HB THR 53 -3.386 -5.636 -1.864 343 HG1 THR 53 1HG THR 53 -2.449 -6.218 -4.013 344 HG21 THR 53 1HG2 THR 53 -4.192 -7.508 -3.893 345 HG22 THR 53 2HG2 THR 53 -5.586 -7.017 -2.930 346 HG23 THR 53 3HG2 THR 53 -4.167 -7.705 -2.141 347 H ALA 54 H ALA 54 -4.792 -3.697 -0.456 348 HA ALA 54 HA ALA 54 -6.622 -5.444 0.863 349 HB1 ALA 54 1HB ALA 54 -6.279 -3.546 2.694 350 HB2 ALA 54 2HB ALA 54 -5.049 -4.764 2.355 351 HB3 ALA 54 3HB ALA 54 -4.914 -3.154 1.649 352 H ALA 55 H ALA 55 -6.761 -2.097 -0.267 353 HA ALA 55 HA ALA 55 -9.333 -1.551 0.833 354 HB1 ALA 55 1HB ALA 55 -8.450 0.463 0.424 355 HB2 ALA 55 2HB ALA 55 -7.381 -0.157 -0.835 356 HB3 ALA 55 3HB ALA 55 -9.057 0.236 -1.217 357 H MET 56 H MET 56 -8.207 -2.345 -2.450 358 HA MET 56 HA MET 56 -10.680 -2.274 -3.731 359 HB2 MET 56 1HB MET 56 -8.298 -4.039 -4.327 360 HB3 MET 56 2HB MET 56 -9.643 -3.751 -5.423 361 HG2 MET 56 1HG MET 56 -9.045 -1.286 -5.253 362 HG3 MET 56 2HG MET 56 -7.542 -1.822 -4.503 363 HE1 MET 56 1HE MET 56 -5.879 -3.260 -5.456 364 HE2 MET 56 2HE MET 56 -5.459 -3.305 -7.169 365 HE3 MET 56 3HE MET 56 -5.384 -1.782 -6.281 366 H LYS 57 H LYS 57 -9.110 -4.872 -1.933 367 HA LYS 57 HA LYS 57 -10.981 -6.895 -2.577 368 HB2 LYS 57 1HB LYS 57 -8.877 -6.536 -0.487 369 HB3 LYS 57 2HB LYS 57 -10.049 -7.832 -0.289 370 HG2 LYS 57 1HG LYS 57 -9.406 -8.516 -2.673 371 HG3 LYS 57 2HG LYS 57 -8.009 -7.461 -2.450 372 HD2 LYS 57 1HD LYS 57 -7.565 -8.764 -0.310 373 HD3 LYS 57 2HD LYS 57 -8.751 -9.930 -0.900 374 HE2 LYS 57 1HE LYS 57 -6.441 -9.068 -2.606 375 HE3 LYS 57 2HE LYS 57 -6.254 -10.340 -1.399 376 HZ1 LYS 57 1HZ LYS 57 -8.400 -11.239 -2.603 377 HZ2 LYS 57 2HZ LYS 57 -6.849 -11.586 -3.182 378 HZ3 LYS 57 3HZ LYS 57 -7.765 -10.359 -3.901 379 H ARG 58 H ARG 58 -10.710 -4.665 0.168 380 HA ARG 58 HA ARG 58 -12.801 -5.622 1.720 381 HB2 ARG 58 1HB ARG 58 -11.604 -2.892 1.367 382 HB3 ARG 58 2HB ARG 58 -12.989 -3.128 2.425 383 HG2 ARG 58 1HG ARG 58 -11.637 -4.888 3.614 384 HG3 ARG 58 2HG ARG 58 -10.249 -4.333 2.676 385 HD2 ARG 58 1HD ARG 58 -10.109 -3.169 4.709 386 HD3 ARG 58 2HD ARG 58 -10.783 -2.008 3.566 387 HE ARG 58 HE ARG 58 -12.964 -3.163 4.726 388 HH11 ARG 58 2HH1 ARG 58 -10.138 -1.508 5.907 389 HH12 ARG 58 1HH1 ARG 58 -10.937 -0.869 7.306 390 HH21 ARG 58 2HH2 ARG 58 -14.027 -2.327 6.563 391 HH22 ARG 58 1HH2 ARG 58 -13.149 -1.336 7.678 392 H ARG 59 H ARG 59 -12.870 -3.811 -1.235 393 HA ARG 59 HA ARG 59 -15.724 -3.243 -0.949 394 HB2 ARG 59 1HB ARG 59 -13.609 -2.348 -2.890 395 HB3 ARG 59 2HB ARG 59 -15.318 -2.121 -3.238 396 HG2 ARG 59 1HG ARG 59 -15.581 -0.765 -1.257 397 HG3 ARG 59 2HG ARG 59 -13.902 -1.062 -0.802 398 HD2 ARG 59 1HD ARG 59 -13.998 1.093 -1.810 399 HD3 ARG 59 2HD ARG 59 -13.221 0.006 -2.961 400 HE ARG 59 HE ARG 59 -15.807 -0.076 -3.717 401 HH11 ARG 59 2HH1 ARG 59 -13.610 2.547 -3.075 402 HH12 ARG 59 1HH1 ARG 59 -14.359 3.624 -4.207 403 HH21 ARG 59 2HH2 ARG 59 -16.802 1.332 -5.210 404 HH22 ARG 59 1HH2 ARG 59 -16.175 2.932 -5.420 405 H GLY 60 H GLY 60 -14.551 -5.970 -1.362 406 HA2 GLY 60 1HA GLY 60 -16.305 -6.712 -3.586 407 HA3 GLY 60 2HA GLY 60 -14.623 -7.212 -3.674 408 H SER 61 H SER 61 -15.162 -9.406 -3.647 409 HA SER 61 HA SER 61 -15.444 -10.523 -1.021 410 HB2 SER 61 1HB SER 61 -17.825 -10.022 -1.724 411 HB3 SER 61 2HB SER 61 -17.613 -11.206 -3.013 412 HG SER 61 HG SER 61 -17.685 -12.785 -1.594 413 H ARG 62 H ARG 62 -14.358 -12.388 -0.917 414 HA ARG 62 HA ARG 62 -13.877 -13.871 -3.413 415 HB2 ARG 62 1HB ARG 62 -11.905 -12.869 -1.402 416 HB3 ARG 62 2HB ARG 62 -11.579 -14.386 -2.230 417 HG2 ARG 62 1HG ARG 62 -12.225 -11.855 -3.710 418 HG3 ARG 62 2HG ARG 62 -10.580 -12.289 -3.237 419 HD2 ARG 62 1HD ARG 62 -12.422 -13.943 -4.962 420 HD3 ARG 62 2HD ARG 62 -11.069 -12.968 -5.537 421 HE ARG 62 HE ARG 62 -10.230 -14.850 -3.580 422 HH11 ARG 62 2HH1 ARG 62 -11.135 -14.542 -6.927 423 HH12 ARG 62 1HH1 ARG 62 -10.197 -15.905 -7.441 424 HH21 ARG 62 2HH2 ARG 62 -8.991 -16.646 -4.244 425 HH22 ARG 62 1HH2 ARG 62 -8.978 -17.102 -5.914 426 H HIS 63 H HIS 63 -15.621 -15.231 -2.655 427 HA HIS 63 HA HIS 63 -14.773 -17.068 -0.511 428 HB2 HIS 63 1HB HIS 63 -17.478 -15.975 -1.207 429 HB3 HIS 63 2HB HIS 63 -17.341 -17.542 -0.415 430 HD1 HIS 63 1HD HIS 63 -15.704 -17.364 1.867 431 HD2 HIS 63 2HD HIS 63 -17.706 -13.963 0.569 432 HE1 HIS 63 1HE HIS 63 -15.773 -15.825 3.854 433 HE2 HIS 63 2HE HIS 63 -17.064 -13.809 3.070 434 H LYS 64 H LYS 64 -13.785 -18.602 -1.762 435 HA LYS 64 HA LYS 64 -13.514 -20.214 -3.374 436 HB2 LYS 64 1HB LYS 64 -16.128 -20.715 -2.029 437 HB3 LYS 64 2HB LYS 64 -15.705 -21.713 -3.414 438 HG2 LYS 64 1HG LYS 64 -15.028 -22.848 -1.428 439 HG3 LYS 64 2HG LYS 64 -13.578 -22.298 -2.271 440 HD2 LYS 64 1HD LYS 64 -13.180 -21.771 -0.025 441 HD3 LYS 64 2HD LYS 64 -13.697 -20.244 -0.745 442 HE2 LYS 64 1HE LYS 64 -14.828 -20.479 1.341 443 HE3 LYS 64 2HE LYS 64 -16.011 -20.745 0.061 444 HZ1 LYS 64 1HZ LYS 64 -16.500 -22.586 1.196 445 HZ2 LYS 64 2HZ LYS 64 -15.064 -22.554 2.089 446 HZ3 LYS 64 3HZ LYS 64 -15.082 -23.233 0.540 447 H SER 65 H SER 65 -14.246 -17.779 -4.540 448 HA SER 65 HA SER 65 -16.108 -18.591 -6.670 449 HB2 SER 65 1HB SER 65 -16.554 -16.477 -5.278 450 HB3 SER 65 2HB SER 65 -15.195 -15.765 -6.148 451 HG SER 65 HG SER 65 -17.593 -16.798 -7.259 452 H GLY 66 H GLY 66 -15.545 -17.269 -8.793 453 HA2 GLY 66 1HA GLY 66 -12.862 -16.707 -9.412 454 HA3 GLY 66 2HA GLY 66 -13.184 -18.385 -9.823 455 HA PRO 67 HA PRO 67 -14.978 -15.159 -12.953 456 HB2 PRO 67 1HB PRO 67 -12.805 -14.487 -14.436 457 HB3 PRO 67 2HB PRO 67 -13.338 -13.551 -13.035 458 HG2 PRO 67 1HG PRO 67 -11.160 -15.596 -13.230 459 HG3 PRO 67 2HG PRO 67 -11.154 -14.032 -12.395 460 HD2 PRO 67 1HD PRO 67 -11.534 -16.376 -11.095 461 HD3 PRO 67 2HD PRO 67 -12.294 -14.860 -10.570 462 H SER 68 H SER 68 -15.913 -16.261 -14.547 463 HA SER 68 HA SER 68 -14.626 -18.645 -15.605 464 HB2 SER 68 1HB SER 68 -16.839 -19.003 -16.730 465 HB3 SER 68 2HB SER 68 -16.943 -18.885 -14.973 466 HG SER 68 HG SER 68 -17.513 -16.831 -16.849 467 H SER 69 H SER 69 -13.009 -17.837 -16.934 468 HA SER 69 HA SER 69 -13.658 -15.946 -19.028 469 HB2 SER 69 1HB SER 69 -11.108 -17.426 -18.351 470 HB3 SER 69 2HB SER 69 -11.253 -16.268 -19.673 471 HG SER 69 HG SER 69 -10.805 -15.782 -17.098 472 H GLY 70 H GLY 70 -12.573 -19.333 -18.847 473 HA2 GLY 70 1HA GLY 70 -14.201 -20.455 -20.702 474 HA3 GLY 70 2HA GLY 70 -12.943 -19.720 -21.684 Start of MODEL 5 1 H1 GLY 1 H GLY 1 15.859 23.788 12.083 2 HA2 GLY 1 1HA GLY 1 15.890 23.329 15.000 3 HA3 GLY 1 2HA GLY 1 14.378 23.435 14.111 4 H SER 2 H SER 2 14.112 21.277 15.163 5 HA SER 2 HA SER 2 15.354 19.181 13.502 6 HB2 SER 2 1HB SER 2 16.056 19.148 15.912 7 HB3 SER 2 2HB SER 2 14.373 18.853 16.346 8 HG SER 2 HG SER 2 14.669 16.837 15.877 9 H SER 3 H SER 3 13.057 20.502 12.672 10 HA SER 3 HA SER 3 11.093 18.326 12.838 11 HB2 SER 3 1HB SER 3 10.607 20.520 14.246 12 HB3 SER 3 2HB SER 3 10.084 21.135 12.678 13 HG SER 3 HG SER 3 8.905 18.930 12.703 14 H GLY 4 H GLY 4 10.299 17.705 10.919 15 HA2 GLY 4 1HA GLY 4 9.392 18.429 8.735 16 HA3 GLY 4 2HA GLY 4 10.798 19.475 8.605 17 H SER 5 H SER 5 9.599 16.224 8.337 18 HA SER 5 HA SER 5 12.086 15.482 6.955 19 HB2 SER 5 1HB SER 5 10.573 13.849 8.999 20 HB3 SER 5 2HB SER 5 11.752 13.146 7.891 21 HG SER 5 HG SER 5 12.578 15.388 9.297 22 H SER 6 H SER 6 11.739 13.424 5.631 23 HA SER 6 HA SER 6 9.152 13.665 4.252 24 HB2 SER 6 1HB SER 6 11.756 12.536 3.197 25 HB3 SER 6 2HB SER 6 10.275 12.785 2.273 26 HG SER 6 HG SER 6 10.835 14.784 2.007 27 H GLY 7 H GLY 7 8.352 11.630 3.214 28 HA2 GLY 7 1HA GLY 7 9.192 9.084 4.102 29 HA3 GLY 7 2HA GLY 7 7.885 9.653 5.130 30 H TYR 8 H TYR 8 8.687 8.117 2.231 31 HA TYR 8 HA TYR 8 6.008 8.538 1.107 32 HB2 TYR 8 1HB TYR 8 8.635 7.695 -0.049 33 HB3 TYR 8 2HB TYR 8 7.149 7.188 -0.846 34 HD1 TYR 8 1HD TYR 8 9.113 10.139 0.213 35 HD2 TYR 8 2HD TYR 8 5.887 8.704 -2.161 36 HE1 TYR 8 1HE TYR 8 8.984 12.319 -0.919 37 HE2 TYR 8 2HE TYR 8 5.750 10.879 -3.301 38 HH TYR 8 HH TYR 8 7.931 12.980 -3.523 39 H CYS 9 H CYS 9 8.286 5.797 1.210 40 HA CYS 9 HA CYS 9 6.484 3.755 0.897 41 HB2 CYS 9 1HB CYS 9 8.926 3.442 0.916 42 HB3 CYS 9 2HB CYS 9 8.947 3.720 2.654 43 H ILE 10 H ILE 10 5.710 2.152 2.501 44 HA ILE 10 HA ILE 10 3.968 3.256 4.340 45 HB ILE 10 HB ILE 10 3.980 0.924 5.406 46 HG12 ILE 10 1HG1 ILE 10 5.620 0.239 2.966 47 HG13 ILE 10 2HG1 ILE 10 6.336 0.457 4.559 48 HG21 ILE 10 1HG2 ILE 10 2.756 -0.036 3.529 49 HG22 ILE 10 2HG2 ILE 10 2.347 1.665 3.744 50 HG23 ILE 10 3HG2 ILE 10 3.441 1.179 2.450 51 HD11 ILE 10 1HD1 ILE 10 4.509 -1.309 5.243 52 HD12 ILE 10 2HD1 ILE 10 4.614 -1.726 3.532 53 HD13 ILE 10 3HD1 ILE 10 6.054 -1.797 4.547 54 H CYS 11 H CYS 11 7.325 2.410 4.714 55 HA CYS 11 HA CYS 11 7.301 2.565 7.589 56 HB2 CYS 11 1HB CYS 11 9.762 2.386 7.378 57 HB3 CYS 11 2HB CYS 11 8.918 1.118 6.493 58 H ASN 12 H ASN 12 6.661 4.878 5.553 59 HA ASN 12 HA ASN 12 6.958 7.137 5.412 60 HB2 ASN 12 1HB ASN 12 6.068 6.625 7.829 61 HB3 ASN 12 2HB ASN 12 7.673 7.157 8.322 62 HD21 ASN 12 1HD2 ASN 12 4.912 8.132 6.336 63 HD22 ASN 12 2HD2 ASN 12 5.057 9.823 6.656 64 H GLN 13 H GLN 13 9.137 6.068 4.410 65 HA GLN 13 HA GLN 13 11.333 7.651 5.567 66 HB2 GLN 13 1HB GLN 13 11.475 4.885 4.363 67 HB3 GLN 13 2HB GLN 13 12.887 5.875 4.707 68 HG2 GLN 13 1HG GLN 13 10.961 5.383 6.908 69 HG3 GLN 13 2HG GLN 13 12.005 4.057 6.400 70 HE21 GLN 13 1HE2 GLN 13 11.936 7.319 7.669 71 HE22 GLN 13 2HE2 GLN 13 13.525 7.294 8.346 72 H VAL 14 H VAL 14 13.004 8.269 4.002 73 HA VAL 14 HA VAL 14 11.960 9.546 1.763 74 HB VAL 14 HB VAL 14 14.349 9.750 1.000 75 HG11 VAL 14 1HG1 VAL 14 13.231 11.348 2.545 76 HG12 VAL 14 2HG1 VAL 14 13.906 10.442 3.900 77 HG13 VAL 14 3HG1 VAL 14 14.979 11.254 2.760 78 HG21 VAL 14 1HG2 VAL 14 15.790 8.998 3.212 79 HG22 VAL 14 2HG2 VAL 14 14.654 7.663 3.015 80 HG23 VAL 14 3HG2 VAL 14 15.719 8.119 1.685 81 H SER 15 H SER 15 12.460 9.196 -0.515 82 HA SER 15 HA SER 15 12.049 6.413 -1.232 83 HB2 SER 15 1HB SER 15 11.952 8.992 -2.797 84 HB3 SER 15 2HB SER 15 11.811 7.413 -3.570 85 HG SER 15 HG SER 15 9.951 7.029 -2.413 86 H TYR 16 H TYR 16 14.021 5.415 -0.924 87 HA TYR 16 HA TYR 16 16.138 6.226 -2.803 88 HB2 TYR 16 1HB TYR 16 17.837 5.671 -1.192 89 HB3 TYR 16 2HB TYR 16 16.713 6.792 -0.433 90 HD1 TYR 16 2HD TYR 16 15.041 5.925 1.212 91 HD2 TYR 16 1HD TYR 16 18.177 3.491 -0.318 92 HE1 TYR 16 2HE TYR 16 14.716 4.347 3.071 93 HE2 TYR 16 1HE TYR 16 17.861 1.907 1.536 94 HH TYR 16 HH TYR 16 15.613 1.375 3.137 95 H GLY 17 H GLY 17 17.775 4.350 -3.064 96 HA2 GLY 17 1HA GLY 17 18.152 2.243 -3.893 97 HA3 GLY 17 2HA GLY 17 17.075 1.686 -2.621 98 H GLU 18 H GLU 18 16.526 0.048 -4.266 99 HA GLU 18 HA GLU 18 15.083 0.849 -6.606 100 HB2 GLU 18 1HB GLU 18 15.768 -1.729 -5.287 101 HB3 GLU 18 2HB GLU 18 14.401 -1.721 -6.392 102 HG2 GLU 18 1HG GLU 18 16.140 -0.474 -7.949 103 HG3 GLU 18 2HG GLU 18 17.289 -1.350 -6.938 104 H MET 19 H MET 19 13.122 1.711 -6.531 105 HA MET 19 HA MET 19 11.229 0.715 -4.504 106 HB2 MET 19 1HB MET 19 11.411 3.458 -5.761 107 HB3 MET 19 2HB MET 19 10.111 2.935 -4.698 108 HG2 MET 19 1HG MET 19 12.150 2.373 -3.103 109 HG3 MET 19 2HG MET 19 12.919 3.631 -4.069 110 HE1 MET 19 1HE MET 19 9.629 2.666 -2.681 111 HE2 MET 19 2HE MET 19 9.926 3.320 -1.071 112 HE3 MET 19 3HE MET 19 8.854 4.171 -2.185 113 H VAL 20 H VAL 20 9.143 0.226 -5.128 114 HA VAL 20 HA VAL 20 8.715 0.059 -8.037 115 HB VAL 20 HB VAL 20 8.781 -2.118 -6.905 116 HG11 VAL 20 1HG1 VAL 20 6.236 -1.454 -5.482 117 HG12 VAL 20 2HG1 VAL 20 7.403 -2.737 -5.153 118 HG13 VAL 20 3HG1 VAL 20 7.791 -1.064 -4.747 119 HG21 VAL 20 1HG2 VAL 20 6.892 -1.218 -8.704 120 HG22 VAL 20 2HG2 VAL 20 7.250 -2.903 -8.329 121 HG23 VAL 20 3HG2 VAL 20 5.935 -2.075 -7.496 122 H GLY 21 H GLY 21 7.539 1.776 -8.651 123 HA2 GLY 21 1HA GLY 21 5.685 3.138 -7.004 124 HA3 GLY 21 2HA GLY 21 5.835 3.314 -8.746 125 H CYS 22 H CYS 22 3.729 2.539 -6.385 126 HA CYS 22 HA CYS 22 2.394 0.252 -7.052 127 HB2 CYS 22 1HB CYS 22 1.773 1.739 -5.177 128 HB3 CYS 22 2HB CYS 22 1.104 2.892 -6.328 129 H ASP 23 H ASP 23 1.226 -0.479 -8.716 130 HA ASP 23 HA ASP 23 1.238 0.730 -11.211 131 HB2 ASP 23 1HB ASP 23 -0.315 -1.503 -9.984 132 HB3 ASP 23 2HB ASP 23 -0.845 -0.882 -11.545 133 H ASN 24 H ASN 24 -0.906 1.201 -8.537 134 HA ASN 24 HA ASN 24 -2.873 2.601 -10.170 135 HB2 ASN 24 1HB ASN 24 -3.501 1.048 -8.256 136 HB3 ASN 24 2HB ASN 24 -2.891 2.290 -7.167 137 HD21 ASN 24 1HD2 ASN 24 -4.687 3.019 -6.226 138 HD22 ASN 24 2HD2 ASN 24 -6.049 3.674 -7.062 139 H GLN 25 H GLN 25 -2.210 4.572 -10.780 140 HA GLN 25 HA GLN 25 -0.393 6.219 -9.479 141 HB2 GLN 25 1HB GLN 25 -1.362 8.059 -10.844 142 HB3 GLN 25 2HB GLN 25 -0.986 6.618 -11.779 143 HG2 GLN 25 1HG GLN 25 -3.742 7.013 -10.708 144 HG3 GLN 25 2HG GLN 25 -3.226 7.874 -12.157 145 HE21 GLN 25 1HE2 GLN 25 -4.535 5.048 -10.954 146 HE22 GLN 25 2HE2 GLN 25 -4.371 4.059 -12.361 147 H ASP 26 H ASP 26 -3.836 5.839 -8.998 148 HA ASP 26 HA ASP 26 -4.384 8.151 -7.537 149 HB2 ASP 26 1HB ASP 26 -5.596 5.419 -7.658 150 HB3 ASP 26 2HB ASP 26 -6.122 6.527 -6.394 151 H CYS 27 H CYS 27 -2.529 5.393 -6.702 152 HA CYS 27 HA CYS 27 -2.791 5.241 -3.952 153 HB2 CYS 27 1HB CYS 27 -1.342 3.847 -5.620 154 HB3 CYS 27 2HB CYS 27 -0.086 5.018 -5.232 155 HA PRO 28 HA PRO 28 -1.338 9.161 -2.520 156 HB2 PRO 28 1HB PRO 28 -1.019 8.492 0.091 157 HB3 PRO 28 2HB PRO 28 -2.603 8.761 -0.645 158 HG2 PRO 28 1HG PRO 28 -1.191 6.183 -0.081 159 HG3 PRO 28 2HG PRO 28 -2.896 6.602 0.167 160 HD2 PRO 28 1HD PRO 28 -2.044 5.163 -1.962 161 HD3 PRO 28 2HD PRO 28 -3.431 6.268 -2.050 162 H ILE 29 H ILE 29 0.427 6.184 -2.156 163 HA ILE 29 HA ILE 29 2.879 7.670 -1.510 164 HB ILE 29 HB ILE 29 2.449 4.684 -1.406 165 HG12 ILE 29 1HG1 ILE 29 2.420 6.714 0.838 166 HG13 ILE 29 2HG1 ILE 29 1.017 5.847 0.222 167 HG21 ILE 29 1HG2 ILE 29 4.690 6.480 -0.515 168 HG22 ILE 29 2HG2 ILE 29 4.509 4.819 0.045 169 HG23 ILE 29 3HG2 ILE 29 4.754 5.149 -1.670 170 HD11 ILE 29 1HD1 ILE 29 3.082 4.994 2.094 171 HD12 ILE 29 2HD1 ILE 29 1.428 4.419 1.881 172 HD13 ILE 29 3HD1 ILE 29 2.716 3.808 0.842 173 H GLU 30 H GLU 30 1.678 5.089 -3.646 174 HA GLU 30 HA GLU 30 2.466 4.270 -5.627 175 HB2 GLU 30 1HB GLU 30 1.605 6.623 -6.157 176 HB3 GLU 30 2HB GLU 30 3.294 7.108 -6.203 177 HG2 GLU 30 1HG GLU 30 3.459 5.056 -7.863 178 HG3 GLU 30 2HG GLU 30 1.749 5.422 -8.087 179 H TRP 31 H TRP 31 4.376 4.388 -3.393 180 HA TRP 31 HA TRP 31 6.727 3.700 -4.862 181 HB2 TRP 31 1HB TRP 31 6.723 6.239 -3.225 182 HB3 TRP 31 2HB TRP 31 8.198 5.383 -3.666 183 HD1 TRP 31 HD TRP 31 5.657 7.803 -5.015 184 HE1 TRP 31 1HE TRP 31 6.303 8.486 -7.411 185 HE3 TRP 31 3HE TRP 31 9.350 4.373 -5.869 186 HZ2 TRP 31 2HZ TRP 31 8.135 7.677 -9.400 187 HZ3 TRP 31 3HZ TRP 31 10.500 4.394 -8.044 188 HH2 TRP 31 HH TRP 31 9.903 6.012 -9.772 189 H PHE 32 H PHE 32 7.016 1.818 -3.834 190 HA PHE 32 HA PHE 32 7.338 1.902 -0.910 191 HB2 PHE 32 1HB PHE 32 6.100 -0.379 -2.464 192 HB3 PHE 32 2HB PHE 32 6.299 -0.286 -0.717 193 HD1 PHE 32 1HD PHE 32 4.601 1.349 -3.581 194 HD2 PHE 32 2HD PHE 32 4.639 0.650 0.617 195 HE1 PHE 32 1HE PHE 32 2.385 2.401 -3.390 196 HE2 PHE 32 2HE PHE 32 2.422 1.699 0.815 197 HZ PHE 32 HZ PHE 32 1.292 2.576 -1.190 198 H HIS 33 H HIS 33 8.925 0.562 -0.035 199 HA HIS 33 HA HIS 33 11.145 0.032 -1.748 200 HB2 HIS 33 1HB HIS 33 10.725 -0.757 1.143 201 HB3 HIS 33 2HB HIS 33 12.262 -0.765 0.282 202 HD2 HIS 33 2HD HIS 33 11.718 2.318 -1.053 203 HE1 HIS 33 1HE HIS 33 11.924 3.439 3.034 204 HE2 HIS 33 2HE HIS 33 11.957 4.251 0.650 205 H TYR 34 H TYR 34 12.210 -2.026 -2.011 206 HA TYR 34 HA TYR 34 10.383 -4.094 -2.734 207 HB2 TYR 34 1HB TYR 34 13.358 -3.764 -2.819 208 HB3 TYR 34 2HB TYR 34 12.661 -5.361 -3.062 209 HD1 TYR 34 2HD TYR 34 11.117 -2.190 -4.167 210 HD2 TYR 34 1HD TYR 34 13.270 -5.668 -5.338 211 HE1 TYR 34 2HE TYR 34 10.702 -1.645 -6.530 212 HE2 TYR 34 1HE TYR 34 12.862 -5.132 -7.703 213 HH TYR 34 HH TYR 34 11.801 -2.150 -8.755 214 H GLY 35 H GLY 35 12.611 -3.567 -0.062 215 HA2 GLY 35 1HA GLY 35 12.302 -6.212 1.018 216 HA3 GLY 35 2HA GLY 35 13.082 -4.848 1.805 217 H CYS 36 H CYS 36 10.649 -3.172 1.387 218 HA CYS 36 HA CYS 36 9.350 -3.859 3.849 219 HB2 CYS 36 1HB CYS 36 9.066 -1.647 1.844 220 HB3 CYS 36 2HB CYS 36 7.829 -1.876 3.075 221 H VAL 37 H VAL 37 8.538 -4.030 0.427 222 HA VAL 37 HA VAL 37 5.885 -5.085 1.041 223 HB VAL 37 HB VAL 37 5.418 -4.938 -1.316 224 HG11 VAL 37 1HG1 VAL 37 6.837 -2.533 -0.194 225 HG12 VAL 37 2HG1 VAL 37 5.932 -2.496 -1.709 226 HG13 VAL 37 3HG1 VAL 37 5.107 -2.876 -0.197 227 HG21 VAL 37 1HG2 VAL 37 7.196 -4.028 -2.863 228 HG22 VAL 37 2HG2 VAL 37 8.364 -4.384 -1.590 229 HG23 VAL 37 3HG2 VAL 37 7.429 -5.689 -2.318 230 H GLY 38 H GLY 38 9.028 -6.135 0.008 231 HA2 GLY 38 1HA GLY 38 9.793 -8.355 0.139 232 HA3 GLY 38 2HA GLY 38 8.124 -8.905 0.157 233 H LEU 39 H LEU 39 10.439 -7.270 -2.001 234 HA LEU 39 HA LEU 39 9.438 -8.966 -4.186 235 HB2 LEU 39 1HB LEU 39 9.778 -6.013 -4.092 236 HB3 LEU 39 2HB LEU 39 10.129 -6.847 -5.604 237 HG LEU 39 HG LEU 39 7.492 -7.059 -4.160 238 HD11 LEU 39 1HD1 LEU 39 7.538 -4.811 -4.724 239 HD12 LEU 39 2HD1 LEU 39 6.766 -5.554 -6.124 240 HD13 LEU 39 3HD1 LEU 39 8.467 -5.094 -6.196 241 HD21 LEU 39 1HD2 LEU 39 6.721 -8.218 -5.984 242 HD22 LEU 39 2HD2 LEU 39 8.390 -8.783 -5.919 243 HD23 LEU 39 3HD2 LEU 39 7.927 -7.529 -7.071 244 H THR 40 H THR 40 11.265 -10.315 -3.679 245 HA THR 40 HA THR 40 13.900 -9.691 -3.490 246 HB THR 40 HB THR 40 14.452 -11.853 -4.439 247 HG1 THR 40 1HG THR 40 11.898 -11.587 -5.599 248 HG21 THR 40 1HG2 THR 40 12.236 -13.047 -3.277 249 HG22 THR 40 2HG2 THR 40 12.340 -11.477 -2.480 250 HG23 THR 40 3HG2 THR 40 13.721 -12.573 -2.452 251 H GLU 41 H GLU 41 11.921 -9.553 -6.369 252 HA GLU 41 HA GLU 41 14.049 -8.118 -7.740 253 HB2 GLU 41 1HB GLU 41 14.182 -9.492 -9.621 254 HB3 GLU 41 2HB GLU 41 14.151 -10.637 -8.288 255 HG2 GLU 41 1HG GLU 41 11.551 -10.554 -8.754 256 HG3 GLU 41 2HG GLU 41 12.106 -10.074 -10.357 257 H ALA 42 H ALA 42 13.091 -7.582 -10.099 258 HA ALA 42 HA ALA 42 10.849 -5.904 -9.606 259 HB1 ALA 42 1HB ALA 42 12.671 -5.355 -11.191 260 HB2 ALA 42 2HB ALA 42 12.074 -6.621 -12.265 261 HB3 ALA 42 3HB ALA 42 11.063 -5.223 -11.904 262 HA PRO 43 HA PRO 43 7.663 -8.885 -10.411 263 HB2 PRO 43 1HB PRO 43 5.588 -7.135 -10.412 264 HB3 PRO 43 2HB PRO 43 6.386 -7.679 -8.931 265 HG2 PRO 43 1HG PRO 43 6.772 -5.138 -10.466 266 HG3 PRO 43 2HG PRO 43 6.653 -5.379 -8.713 267 HD2 PRO 43 1HD PRO 43 9.022 -5.043 -9.980 268 HD3 PRO 43 2HD PRO 43 8.849 -6.053 -8.530 269 H LYS 44 H LYS 44 7.758 -9.672 -12.447 270 HA LYS 44 HA LYS 44 7.796 -8.202 -14.816 271 HB2 LYS 44 1HB LYS 44 7.237 -11.033 -14.097 272 HB3 LYS 44 2HB LYS 44 6.744 -10.498 -15.698 273 HG2 LYS 44 1HG LYS 44 8.987 -9.889 -16.258 274 HG3 LYS 44 2HG LYS 44 9.530 -10.182 -14.604 275 HD2 LYS 44 1HD LYS 44 10.176 -12.144 -15.592 276 HD3 LYS 44 2HD LYS 44 8.548 -12.585 -15.072 277 HE2 LYS 44 1HE LYS 44 8.804 -13.321 -17.323 278 HE3 LYS 44 2HE LYS 44 7.737 -11.918 -17.344 279 HZ1 LYS 44 1HZ LYS 44 10.308 -12.271 -18.559 280 HZ2 LYS 44 2HZ LYS 44 10.216 -10.848 -17.649 281 HZ3 LYS 44 3HZ LYS 44 9.105 -11.129 -18.893 282 H GLY 45 H GLY 45 5.045 -9.833 -13.240 283 HA2 GLY 45 1HA GLY 45 3.160 -8.760 -15.133 284 HA3 GLY 45 2HA GLY 45 2.778 -9.679 -13.684 285 H LYS 46 H LYS 46 1.047 -8.216 -13.281 286 HA LYS 46 HA LYS 46 1.656 -5.439 -12.754 287 HB2 LYS 46 1HB LYS 46 -0.881 -7.042 -12.387 288 HB3 LYS 46 2HB LYS 46 -0.750 -5.310 -12.110 289 HG2 LYS 46 1HG LYS 46 0.092 -6.368 -14.753 290 HG3 LYS 46 2HG LYS 46 -1.634 -6.293 -14.390 291 HD2 LYS 46 1HD LYS 46 0.022 -3.895 -13.801 292 HD3 LYS 46 2HD LYS 46 -0.341 -4.255 -15.490 293 HE2 LYS 46 1HE LYS 46 -2.644 -4.039 -15.160 294 HE3 LYS 46 2HE LYS 46 -2.502 -4.211 -13.412 295 HZ1 LYS 46 1HZ LYS 46 -1.237 -2.043 -13.491 296 HZ2 LYS 46 2HZ LYS 46 -2.897 -1.950 -13.796 297 HZ3 LYS 46 3HZ LYS 46 -1.797 -1.870 -15.078 298 H TRP 47 H TRP 47 1.991 -4.508 -10.815 299 HA TRP 47 HA TRP 47 1.749 -6.217 -8.426 300 HB2 TRP 47 1HB TRP 47 4.104 -5.865 -9.018 301 HB3 TRP 47 2HB TRP 47 3.857 -4.121 -8.996 302 HD1 TRP 47 HD TRP 47 4.214 -7.125 -6.655 303 HE1 TRP 47 1HE TRP 47 4.669 -6.262 -4.273 304 HE3 TRP 47 3HE TRP 47 3.477 -2.128 -7.447 305 HZ2 TRP 47 2HZ TRP 47 4.709 -3.791 -2.910 306 HZ3 TRP 47 3HZ TRP 47 3.743 -0.582 -5.551 307 HH2 TRP 47 HH TRP 47 4.345 -1.398 -3.330 308 H TYR 48 H TYR 48 0.631 -5.415 -6.750 309 HA TYR 48 HA TYR 48 -0.037 -2.549 -6.767 310 HB2 TYR 48 1HB TYR 48 -1.898 -4.876 -6.270 311 HB3 TYR 48 2HB TYR 48 -2.301 -3.209 -5.877 312 HD1 TYR 48 1HD TYR 48 -2.109 -1.504 -7.852 313 HD2 TYR 48 2HD TYR 48 -2.456 -5.714 -8.358 314 HE1 TYR 48 1HE TYR 48 -2.922 -1.154 -10.147 315 HE2 TYR 48 2HE TYR 48 -3.269 -5.376 -10.655 316 HH TYR 48 HH TYR 48 -4.135 -2.256 -11.858 317 H CYS 49 H CYS 49 0.669 -1.599 -4.987 318 HA CYS 49 HA CYS 49 1.904 -2.724 -2.845 319 HB2 CYS 49 1HB CYS 49 1.716 -0.663 -1.735 320 HB3 CYS 49 2HB CYS 49 1.606 -0.237 -3.440 321 HA PRO 50 HA PRO 50 -1.024 -4.758 -0.286 322 HB2 PRO 50 1HB PRO 50 -0.030 -4.248 2.188 323 HB3 PRO 50 2HB PRO 50 0.740 -5.366 1.055 324 HG2 PRO 50 1HG PRO 50 1.426 -2.517 1.667 325 HG3 PRO 50 2HG PRO 50 2.506 -3.906 1.448 326 HD2 PRO 50 1HD PRO 50 2.070 -2.078 -0.502 327 HD3 PRO 50 2HD PRO 50 2.398 -3.788 -0.851 328 H GLN 51 H GLN 51 -0.622 -1.379 -0.154 329 HA GLN 51 HA GLN 51 -2.617 -0.896 1.874 330 HB2 GLN 51 1HB GLN 51 -0.852 0.772 0.161 331 HB3 GLN 51 2HB GLN 51 -2.339 1.512 0.741 332 HG2 GLN 51 1HG GLN 51 -1.491 0.518 3.045 333 HG3 GLN 51 2HG GLN 51 0.070 0.659 2.237 334 HE21 GLN 51 1HE2 GLN 51 -0.285 2.926 0.753 335 HE22 GLN 51 2HE2 GLN 51 -0.494 4.284 1.800 336 H CYS 52 H CYS 52 -2.477 -1.150 -1.594 337 HA CYS 52 HA CYS 52 -5.136 -0.041 -1.952 338 HB2 CYS 52 1HB CYS 52 -3.037 -1.117 -3.817 339 HB3 CYS 52 2HB CYS 52 -4.681 -0.830 -4.378 340 H THR 53 H THR 53 -3.568 -3.155 -2.712 341 HA THR 53 HA THR 53 -5.705 -4.647 -3.473 342 HB THR 53 HB THR 53 -3.538 -5.630 -1.606 343 HG1 THR 53 1HG THR 53 -2.763 -6.333 -3.860 344 HG21 THR 53 1HG2 THR 53 -5.737 -7.001 -2.284 345 HG22 THR 53 2HG2 THR 53 -4.161 -7.766 -2.081 346 HG23 THR 53 3HG2 THR 53 -4.740 -7.353 -3.695 347 H ALA 54 H ALA 54 -4.878 -3.686 -0.195 348 HA ALA 54 HA ALA 54 -6.763 -5.351 1.123 349 HB1 ALA 54 1HB ALA 54 -5.251 -4.656 2.652 350 HB2 ALA 54 2HB ALA 54 -5.016 -3.091 1.873 351 HB3 ALA 54 3HB ALA 54 -6.429 -3.365 2.892 352 H ALA 55 H ALA 55 -6.876 -2.047 -0.119 353 HA ALA 55 HA ALA 55 -9.484 -1.496 0.930 354 HB1 ALA 55 1HB ALA 55 -7.465 0.060 -0.007 355 HB2 ALA 55 2HB ALA 55 -8.592 0.099 -1.364 356 HB3 ALA 55 3HB ALA 55 -9.123 0.608 0.239 357 H MET 56 H MET 56 -8.201 -2.389 -2.256 358 HA MET 56 HA MET 56 -10.614 -2.253 -3.674 359 HB2 MET 56 1HB MET 56 -8.210 -4.024 -4.148 360 HB3 MET 56 2HB MET 56 -9.506 -3.757 -5.306 361 HG2 MET 56 1HG MET 56 -8.894 -1.251 -5.010 362 HG3 MET 56 2HG MET 56 -7.373 -1.887 -4.388 363 HE1 MET 56 1HE MET 56 -5.578 -2.907 -5.653 364 HE2 MET 56 2HE MET 56 -6.498 -4.333 -6.134 365 HE3 MET 56 3HE MET 56 -5.606 -3.410 -7.344 366 H LYS 57 H LYS 57 -9.183 -4.824 -1.744 367 HA LYS 57 HA LYS 57 -10.930 -6.897 -2.491 368 HB2 LYS 57 1HB LYS 57 -9.139 -6.378 -0.158 369 HB3 LYS 57 2HB LYS 57 -10.307 -7.689 -0.043 370 HG2 LYS 57 1HG LYS 57 -9.330 -8.456 -2.303 371 HG3 LYS 57 2HG LYS 57 -7.978 -7.396 -1.896 372 HD2 LYS 57 1HD LYS 57 -7.736 -8.611 0.253 373 HD3 LYS 57 2HD LYS 57 -9.009 -9.719 -0.267 374 HE2 LYS 57 1HE LYS 57 -7.434 -9.938 -2.387 375 HE3 LYS 57 2HE LYS 57 -6.206 -9.448 -1.222 376 HZ1 LYS 57 1HZ LYS 57 -6.374 -11.840 -1.316 377 HZ2 LYS 57 2HZ LYS 57 -8.027 -11.780 -0.964 378 HZ3 LYS 57 3HZ LYS 57 -6.897 -11.296 0.198 379 H ARG 58 H ARG 58 -11.095 -4.529 0.144 380 HA ARG 58 HA ARG 58 -13.267 -5.404 1.548 381 HB2 ARG 58 1HB ARG 58 -12.431 -2.605 0.813 382 HB3 ARG 58 2HB ARG 58 -13.792 -2.921 1.881 383 HG2 ARG 58 1HG ARG 58 -12.169 -4.279 3.290 384 HG3 ARG 58 2HG ARG 58 -10.891 -3.535 2.327 385 HD2 ARG 58 1HD ARG 58 -12.990 -1.971 3.818 386 HD3 ARG 58 2HD ARG 58 -11.413 -2.378 4.494 387 HE ARG 58 HE ARG 58 -10.415 -0.856 3.044 388 HH11 ARG 58 2HH1 ARG 58 -13.832 -1.125 2.436 389 HH12 ARG 58 1HH1 ARG 58 -13.902 0.302 1.455 390 HH21 ARG 58 2HH2 ARG 58 -10.494 1.024 1.755 391 HH22 ARG 58 1HH2 ARG 58 -12.003 1.523 1.068 392 H ARG 59 H ARG 59 -13.322 -3.472 -1.432 393 HA ARG 59 HA ARG 59 -16.069 -3.103 -1.640 394 HB2 ARG 59 1HB ARG 59 -13.825 -3.202 -3.610 395 HB3 ARG 59 2HB ARG 59 -15.476 -3.178 -4.213 396 HG2 ARG 59 1HG ARG 59 -14.956 -0.944 -4.191 397 HG3 ARG 59 2HG ARG 59 -15.740 -1.137 -2.622 398 HD2 ARG 59 1HD ARG 59 -13.638 -1.203 -1.497 399 HD3 ARG 59 2HD ARG 59 -12.760 -1.306 -3.023 400 HE ARG 59 HE ARG 59 -14.355 1.070 -2.771 401 HH11 ARG 59 2HH1 ARG 59 -11.281 -0.401 -2.060 402 HH12 ARG 59 1HH1 ARG 59 -10.437 1.108 -1.951 403 HH21 ARG 59 2HH2 ARG 59 -13.255 3.063 -2.630 404 HH22 ARG 59 1HH2 ARG 59 -11.561 3.078 -2.275 405 H GLY 60 H GLY 60 -14.094 -5.893 -2.398 406 HA2 GLY 60 1HA GLY 60 -16.098 -7.289 -3.883 407 HA3 GLY 60 2HA GLY 60 -14.629 -7.982 -3.211 408 H SER 61 H SER 61 -14.701 -9.058 -1.283 409 HA SER 61 HA SER 61 -17.211 -9.050 0.222 410 HB2 SER 61 1HB SER 61 -15.882 -11.528 -0.897 411 HB3 SER 61 2HB SER 61 -17.151 -11.556 0.327 412 HG SER 61 HG SER 61 -18.553 -10.613 -1.154 413 H ARG 62 H ARG 62 -16.762 -8.731 2.289 414 HA ARG 62 HA ARG 62 -14.815 -10.224 3.713 415 HB2 ARG 62 1HB ARG 62 -13.556 -8.311 2.382 416 HB3 ARG 62 2HB ARG 62 -14.121 -7.321 3.721 417 HG2 ARG 62 1HG ARG 62 -12.008 -7.991 4.393 418 HG3 ARG 62 2HG ARG 62 -13.076 -9.123 5.225 419 HD2 ARG 62 1HD ARG 62 -12.516 -10.881 3.824 420 HD3 ARG 62 2HD ARG 62 -11.966 -9.809 2.536 421 HE ARG 62 HE ARG 62 -10.332 -9.537 4.834 422 HH11 ARG 62 2HH1 ARG 62 -10.989 -11.666 2.159 423 HH12 ARG 62 1HH1 ARG 62 -9.393 -12.338 2.133 424 HH21 ARG 62 2HH2 ARG 62 -8.227 -10.415 4.811 425 HH22 ARG 62 1HH2 ARG 62 -7.823 -11.627 3.643 426 H HIS 63 H HIS 63 -14.848 -9.793 5.986 427 HA HIS 63 HA HIS 63 -17.389 -9.059 6.962 428 HB2 HIS 63 1HB HIS 63 -16.592 -9.631 9.085 429 HB3 HIS 63 2HB HIS 63 -15.612 -10.623 8.008 430 HD1 HIS 63 1HD HIS 63 -13.344 -8.901 7.227 431 HD2 HIS 63 2HD HIS 63 -14.964 -8.769 11.051 432 HE1 HIS 63 1HE HIS 63 -11.534 -7.952 8.692 433 HE2 HIS 63 2HE HIS 63 -12.507 -7.962 11.015 434 H LYS 64 H LYS 64 -18.127 -7.244 7.995 435 HA LYS 64 HA LYS 64 -16.718 -4.791 7.413 436 HB2 LYS 64 1HB LYS 64 -19.433 -5.485 8.470 437 HB3 LYS 64 2HB LYS 64 -18.819 -3.848 8.668 438 HG2 LYS 64 1HG LYS 64 -18.495 -3.711 6.225 439 HG3 LYS 64 2HG LYS 64 -19.215 -5.315 6.068 440 HD2 LYS 64 1HD LYS 64 -21.307 -4.526 6.942 441 HD3 LYS 64 2HD LYS 64 -20.603 -2.956 7.336 442 HE2 LYS 64 1HE LYS 64 -20.567 -3.965 4.519 443 HE3 LYS 64 2HE LYS 64 -22.025 -3.223 5.177 444 HZ1 LYS 64 1HZ LYS 64 -21.117 -1.198 5.100 445 HZ2 LYS 64 2HZ LYS 64 -20.002 -1.877 4.024 446 HZ3 LYS 64 3HZ LYS 64 -19.610 -1.723 5.663 447 H SER 65 H SER 65 -15.890 -3.336 8.878 448 HA SER 65 HA SER 65 -14.521 -4.147 11.060 449 HB2 SER 65 1HB SER 65 -14.357 -1.862 11.753 450 HB3 SER 65 2HB SER 65 -14.472 -1.852 9.994 451 HG SER 65 HG SER 65 -15.997 -0.444 10.450 452 H GLY 66 H GLY 66 -14.975 -4.918 13.015 453 HA2 GLY 66 1HA GLY 66 -17.694 -5.171 13.887 454 HA3 GLY 66 2HA GLY 66 -16.266 -5.711 14.757 455 HA PRO 67 HA PRO 67 -18.206 -1.933 16.799 456 HB2 PRO 67 1HB PRO 67 -18.853 -3.142 19.142 457 HB3 PRO 67 2HB PRO 67 -19.950 -3.084 17.756 458 HG2 PRO 67 1HG PRO 67 -18.159 -5.305 18.662 459 HG3 PRO 67 2HG PRO 67 -19.833 -5.383 18.084 460 HD2 PRO 67 1HD PRO 67 -17.719 -5.992 16.507 461 HD3 PRO 67 2HD PRO 67 -19.207 -5.266 15.869 462 H SER 68 H SER 68 -15.966 -1.263 16.758 463 HA SER 68 HA SER 68 -13.901 -2.213 18.311 464 HB2 SER 68 1HB SER 68 -14.570 0.577 17.389 465 HB3 SER 68 2HB SER 68 -13.104 0.233 18.306 466 HG SER 68 HG SER 68 -12.886 -1.507 16.559 467 H SER 69 H SER 69 -13.756 -2.538 20.419 468 HA SER 69 HA SER 69 -15.430 -0.977 22.239 469 HB2 SER 69 1HB SER 69 -15.641 -3.308 22.631 470 HB3 SER 69 2HB SER 69 -13.897 -3.558 22.548 471 HG SER 69 HG SER 69 -13.690 -2.445 24.499 472 H GLY 70 H GLY 70 -14.614 0.176 23.983 473 HA2 GLY 70 1HA GLY 70 -11.843 1.049 23.646 474 HA3 GLY 70 2HA GLY 70 -13.078 1.861 24.596 Start of MODEL 6 1 H1 GLY 1 H GLY 1 8.474 19.132 10.195 2 HA2 GLY 1 1HA GLY 1 7.629 16.793 8.937 3 HA3 GLY 1 2HA GLY 1 8.942 17.817 8.374 4 H SER 2 H SER 2 8.579 15.770 11.264 5 HA SER 2 HA SER 2 11.234 14.682 10.790 6 HB2 SER 2 1HB SER 2 10.991 13.673 13.014 7 HB3 SER 2 2HB SER 2 10.615 15.395 13.065 8 HG SER 2 HG SER 2 8.364 14.729 12.861 9 H SER 3 H SER 3 11.234 12.192 11.673 10 HA SER 3 HA SER 3 10.925 10.041 10.995 11 HB2 SER 3 1HB SER 3 8.134 11.123 11.159 12 HB3 SER 3 2HB SER 3 8.398 9.491 10.544 13 HG SER 3 HG SER 3 8.154 10.068 13.000 14 H GLY 4 H GLY 4 11.987 11.428 9.002 15 HA2 GLY 4 1HA GLY 4 12.331 10.687 6.750 16 HA3 GLY 4 2HA GLY 4 10.613 10.338 6.640 17 H SER 5 H SER 5 12.914 12.347 5.535 18 HA SER 5 HA SER 5 12.113 14.936 5.743 19 HB2 SER 5 1HB SER 5 14.057 14.279 4.425 20 HB3 SER 5 2HB SER 5 13.014 13.529 3.217 21 HG SER 5 HG SER 5 13.783 15.728 2.756 22 H SER 6 H SER 6 10.801 12.563 3.440 23 HA SER 6 HA SER 6 8.411 14.269 3.192 24 HB2 SER 6 1HB SER 6 10.019 12.881 1.088 25 HB3 SER 6 2HB SER 6 8.279 13.040 0.855 26 HG SER 6 HG SER 6 9.972 14.816 0.218 27 H GLY 7 H GLY 7 9.676 11.274 4.068 28 HA2 GLY 7 1HA GLY 7 8.742 9.188 4.432 29 HA3 GLY 7 2HA GLY 7 7.462 10.160 5.144 30 H TYR 8 H TYR 8 8.449 8.266 2.416 31 HA TYR 8 HA TYR 8 5.815 8.661 1.166 32 HB2 TYR 8 1HB TYR 8 8.517 8.022 0.102 33 HB3 TYR 8 2HB TYR 8 7.139 7.298 -0.719 34 HD1 TYR 8 1HD TYR 8 8.790 10.469 0.156 35 HD2 TYR 8 2HD TYR 8 5.634 8.634 -2.030 36 HE1 TYR 8 1HE TYR 8 8.433 12.566 -1.078 37 HE2 TYR 8 2HE TYR 8 5.270 10.726 -3.271 38 HH TYR 8 HH TYR 8 6.071 12.773 -3.705 39 H CYS 9 H CYS 9 8.154 5.976 1.189 40 HA CYS 9 HA CYS 9 6.414 3.898 0.858 41 HB2 CYS 9 1HB CYS 9 8.867 3.654 0.886 42 HB3 CYS 9 2HB CYS 9 8.867 3.891 2.630 43 H ILE 10 H ILE 10 5.682 2.242 2.429 44 HA ILE 10 HA ILE 10 3.914 3.280 4.294 45 HB ILE 10 HB ILE 10 3.959 0.908 5.284 46 HG12 ILE 10 1HG1 ILE 10 5.538 0.311 2.785 47 HG13 ILE 10 2HG1 ILE 10 6.309 0.508 4.355 48 HG21 ILE 10 1HG2 ILE 10 2.182 0.864 3.950 49 HG22 ILE 10 2HG2 ILE 10 2.956 1.938 2.786 50 HG23 ILE 10 3HG2 ILE 10 3.224 0.197 2.693 51 HD11 ILE 10 1HD1 ILE 10 4.712 -1.309 5.163 52 HD12 ILE 10 2HD1 ILE 10 4.413 -1.625 3.454 53 HD13 ILE 10 3HD1 ILE 10 6.042 -1.790 4.109 54 H CYS 11 H CYS 11 7.285 2.551 4.612 55 HA CYS 11 HA CYS 11 7.272 2.552 7.498 56 HB2 CYS 11 1HB CYS 11 9.729 2.439 7.276 57 HB3 CYS 11 2HB CYS 11 8.921 1.205 6.314 58 H ASN 12 H ASN 12 6.563 4.933 5.559 59 HA ASN 12 HA ASN 12 6.727 7.205 5.571 60 HB2 ASN 12 1HB ASN 12 7.186 6.458 8.440 61 HB3 ASN 12 2HB ASN 12 7.305 8.144 7.944 62 HD21 ASN 12 1HD2 ASN 12 5.227 5.521 8.635 63 HD22 ASN 12 2HD2 ASN 12 3.730 6.345 8.380 64 H GLN 13 H GLN 13 8.902 6.125 4.419 65 HA GLN 13 HA GLN 13 11.097 7.823 5.404 66 HB2 GLN 13 1HB GLN 13 11.297 5.063 4.191 67 HB3 GLN 13 2HB GLN 13 12.674 6.111 4.504 68 HG2 GLN 13 1HG GLN 13 10.841 5.512 6.758 69 HG3 GLN 13 2HG GLN 13 11.922 4.236 6.200 70 HE21 GLN 13 1HE2 GLN 13 11.797 7.527 7.421 71 HE22 GLN 13 2HE2 GLN 13 13.393 7.541 8.082 72 H VAL 14 H VAL 14 12.545 8.633 3.780 73 HA VAL 14 HA VAL 14 11.289 9.722 1.552 74 HB VAL 14 HB VAL 14 13.620 10.180 0.705 75 HG11 VAL 14 1HG1 VAL 14 13.917 11.930 2.173 76 HG12 VAL 14 2HG1 VAL 14 12.226 11.518 2.463 77 HG13 VAL 14 3HG1 VAL 14 13.474 10.965 3.581 78 HG21 VAL 14 1HG2 VAL 14 15.200 8.765 1.408 79 HG22 VAL 14 2HG2 VAL 14 15.182 9.680 2.916 80 HG23 VAL 14 3HG2 VAL 14 14.219 8.209 2.764 81 H SER 15 H SER 15 11.754 9.381 -0.733 82 HA SER 15 HA SER 15 11.600 6.572 -1.399 83 HB2 SER 15 1HB SER 15 11.133 7.370 -3.685 84 HB3 SER 15 2HB SER 15 10.094 8.165 -2.501 85 HG SER 15 HG SER 15 10.965 10.009 -3.004 86 H TYR 16 H TYR 16 13.573 5.623 -1.195 87 HA TYR 16 HA TYR 16 15.659 6.568 -3.035 88 HB2 TYR 16 1HB TYR 16 17.387 6.237 -1.429 89 HB3 TYR 16 2HB TYR 16 16.149 7.205 -0.637 90 HD1 TYR 16 1HD TYR 16 17.718 3.885 -0.808 91 HD2 TYR 16 2HD TYR 16 14.887 6.331 1.218 92 HE1 TYR 16 1HE TYR 16 17.614 2.241 1.019 93 HE2 TYR 16 2HE TYR 16 14.776 4.695 3.051 94 HH TYR 16 HH TYR 16 16.328 1.576 2.827 95 H GLY 17 H GLY 17 17.406 4.806 -3.278 96 HA2 GLY 17 1HA GLY 17 17.916 2.713 -4.070 97 HA3 GLY 17 2HA GLY 17 16.916 2.115 -2.754 98 H GLU 18 H GLU 18 16.479 0.397 -4.372 99 HA GLU 18 HA GLU 18 14.934 1.004 -6.691 100 HB2 GLU 18 1HB GLU 18 15.780 -1.468 -5.266 101 HB3 GLU 18 2HB GLU 18 14.401 -1.588 -6.348 102 HG2 GLU 18 1HG GLU 18 16.040 -0.325 -7.992 103 HG3 GLU 18 2HG GLU 18 17.255 -1.074 -6.958 104 H MET 19 H MET 19 12.931 1.766 -6.618 105 HA MET 19 HA MET 19 11.120 0.750 -4.527 106 HB2 MET 19 1HB MET 19 11.162 3.454 -5.875 107 HB3 MET 19 2HB MET 19 9.881 2.905 -4.803 108 HG2 MET 19 1HG MET 19 11.919 2.493 -3.172 109 HG3 MET 19 2HG MET 19 12.656 3.737 -4.179 110 HE1 MET 19 1HE MET 19 9.887 3.108 -1.309 111 HE2 MET 19 2HE MET 19 8.708 4.284 -1.889 112 HE3 MET 19 3HE MET 19 9.156 2.911 -2.902 113 H VAL 20 H VAL 20 9.085 0.080 -5.107 114 HA VAL 20 HA VAL 20 8.633 -0.230 -7.997 115 HB VAL 20 HB VAL 20 8.766 -2.333 -6.749 116 HG11 VAL 20 1HG1 VAL 20 7.742 -2.718 -4.798 117 HG12 VAL 20 2HG1 VAL 20 7.473 -0.975 -4.744 118 HG13 VAL 20 3HG1 VAL 20 6.215 -2.044 -5.365 119 HG21 VAL 20 1HG2 VAL 20 7.253 -3.228 -8.119 120 HG22 VAL 20 2HG2 VAL 20 5.918 -2.431 -7.287 121 HG23 VAL 20 3HG2 VAL 20 6.803 -1.579 -8.553 122 H GLY 21 H GLY 21 7.404 1.409 -8.713 123 HA2 GLY 21 1HA GLY 21 5.515 2.818 -7.152 124 HA3 GLY 21 2HA GLY 21 5.648 2.877 -8.903 125 H CYS 22 H CYS 22 3.576 2.214 -6.483 126 HA CYS 22 HA CYS 22 2.320 -0.172 -7.061 127 HB2 CYS 22 1HB CYS 22 1.751 1.315 -5.155 128 HB3 CYS 22 2HB CYS 22 0.956 2.413 -6.279 129 H ASP 23 H ASP 23 1.304 -0.947 -8.781 130 HA ASP 23 HA ASP 23 1.116 0.213 -11.234 131 HB2 ASP 23 1HB ASP 23 -0.399 -1.969 -9.891 132 HB3 ASP 23 2HB ASP 23 -1.039 -1.357 -11.413 133 H ASN 24 H ASN 24 -1.126 0.565 -8.557 134 HA ASN 24 HA ASN 24 -3.071 2.010 -10.119 135 HB2 ASN 24 1HB ASN 24 -3.542 0.561 -8.054 136 HB3 ASN 24 2HB ASN 24 -2.941 1.920 -7.109 137 HD21 ASN 24 1HD2 ASN 24 -4.850 2.411 -6.131 138 HD22 ASN 24 2HD2 ASN 24 -6.222 3.034 -6.976 139 H GLN 25 H GLN 25 -2.441 3.942 -10.874 140 HA GLN 25 HA GLN 25 -0.550 5.646 -9.743 141 HB2 GLN 25 1HB GLN 25 -2.819 6.114 -11.661 142 HB3 GLN 25 2HB GLN 25 -1.780 7.433 -11.138 143 HG2 GLN 25 1HG GLN 25 -0.579 4.942 -12.261 144 HG3 GLN 25 2HG GLN 25 -1.257 6.165 -13.335 145 HE21 GLN 25 1HE2 GLN 25 1.466 5.360 -13.204 146 HE22 GLN 25 2HE2 GLN 25 2.393 6.737 -12.728 147 H ASP 26 H ASP 26 -3.951 5.271 -9.081 148 HA ASP 26 HA ASP 26 -4.424 7.701 -7.753 149 HB2 ASP 26 1HB ASP 26 -6.320 6.416 -8.354 150 HB3 ASP 26 2HB ASP 26 -5.702 4.980 -7.543 151 H CYS 27 H CYS 27 -2.753 4.833 -6.787 152 HA CYS 27 HA CYS 27 -2.912 4.754 -4.078 153 HB2 CYS 27 1HB CYS 27 -1.420 3.394 -5.697 154 HB3 CYS 27 2HB CYS 27 -0.215 4.644 -5.404 155 HA PRO 28 HA PRO 28 -1.641 8.734 -2.636 156 HB2 PRO 28 1HB PRO 28 -1.317 8.077 -0.022 157 HB3 PRO 28 2HB PRO 28 -2.904 8.281 -0.771 158 HG2 PRO 28 1HG PRO 28 -1.390 5.763 -0.195 159 HG3 PRO 28 2HG PRO 28 -3.113 6.111 0.038 160 HD2 PRO 28 1HD PRO 28 -2.184 4.709 -2.084 161 HD3 PRO 28 2HD PRO 28 -3.615 5.755 -2.183 162 H ILE 29 H ILE 29 0.265 5.877 -2.491 163 HA ILE 29 HA ILE 29 2.643 7.451 -1.753 164 HB ILE 29 HB ILE 29 2.417 4.446 -1.673 165 HG12 ILE 29 1HG1 ILE 29 2.232 6.308 0.697 166 HG13 ILE 29 2HG1 ILE 29 0.812 5.663 -0.120 167 HG21 ILE 29 1HG2 ILE 29 4.375 4.732 -0.115 168 HG22 ILE 29 2HG2 ILE 29 4.680 5.139 -1.803 169 HG23 ILE 29 3HG2 ILE 29 4.427 6.421 -0.619 170 HD11 ILE 29 1HD1 ILE 29 1.920 4.512 2.009 171 HD12 ILE 29 2HD1 ILE 29 1.084 3.601 0.751 172 HD13 ILE 29 3HD1 ILE 29 2.845 3.706 0.742 173 H GLU 30 H GLU 30 1.605 4.756 -3.841 174 HA GLU 30 HA GLU 30 2.378 4.002 -5.847 175 HB2 GLU 30 1HB GLU 30 1.491 6.344 -6.375 176 HB3 GLU 30 2HB GLU 30 3.173 6.854 -6.399 177 HG2 GLU 30 1HG GLU 30 3.381 4.808 -8.067 178 HG3 GLU 30 2HG GLU 30 1.672 5.166 -8.314 179 H TRP 31 H TRP 31 4.283 4.241 -3.566 180 HA TRP 31 HA TRP 31 6.645 3.518 -5.007 181 HB2 TRP 31 1HB TRP 31 6.633 6.096 -3.428 182 HB3 TRP 31 2HB TRP 31 8.102 5.255 -3.916 183 HD1 TRP 31 HD TRP 31 5.487 7.635 -5.186 184 HE1 TRP 31 1HE TRP 31 6.025 8.295 -7.615 185 HE3 TRP 31 3HE TRP 31 9.166 4.221 -6.159 186 HZ2 TRP 31 2HZ TRP 31 7.777 7.476 -9.672 187 HZ3 TRP 31 3HZ TRP 31 10.221 4.225 -8.382 188 HH2 TRP 31 HH TRP 31 9.539 5.820 -10.100 189 H PHE 32 H PHE 32 6.986 1.686 -3.914 190 HA PHE 32 HA PHE 32 7.282 1.875 -0.993 191 HB2 PHE 32 1HB PHE 32 6.076 -0.462 -2.489 192 HB3 PHE 32 2HB PHE 32 6.302 -0.347 -0.747 193 HD1 PHE 32 1HD PHE 32 4.562 1.290 -3.592 194 HD2 PHE 32 2HD PHE 32 4.620 0.520 0.594 195 HE1 PHE 32 1HE PHE 32 2.333 2.310 -3.376 196 HE2 PHE 32 2HE PHE 32 2.391 1.538 0.816 197 HZ PHE 32 HZ PHE 32 1.245 2.434 -1.171 198 H HIS 33 H HIS 33 8.941 0.695 -0.080 199 HA HIS 33 HA HIS 33 11.163 0.125 -1.753 200 HB2 HIS 33 1HB HIS 33 10.709 -0.542 1.163 201 HB3 HIS 33 2HB HIS 33 12.256 -0.639 0.328 202 HD2 HIS 33 2HD HIS 33 11.908 2.359 -1.179 203 HE1 HIS 33 1HE HIS 33 11.923 3.734 2.834 204 HE2 HIS 33 2HE HIS 33 12.124 4.388 0.411 205 H TYR 34 H TYR 34 12.241 -1.889 -2.049 206 HA TYR 34 HA TYR 34 10.471 -4.030 -2.673 207 HB2 TYR 34 1HB TYR 34 13.448 -3.660 -2.782 208 HB3 TYR 34 2HB TYR 34 12.741 -5.249 -3.054 209 HD1 TYR 34 2HD TYR 34 11.346 -1.969 -4.094 210 HD2 TYR 34 1HD TYR 34 13.207 -5.589 -5.334 211 HE1 TYR 34 2HE TYR 34 10.926 -1.374 -6.443 212 HE2 TYR 34 1HE TYR 34 12.793 -5.003 -7.686 213 HH TYR 34 HH TYR 34 11.527 -3.623 -9.045 214 H GLY 35 H GLY 35 12.674 -3.348 -0.026 215 HA2 GLY 35 1HA GLY 35 12.484 -5.987 1.109 216 HA3 GLY 35 2HA GLY 35 13.225 -4.580 1.855 217 H CYS 36 H CYS 36 10.705 -3.018 1.394 218 HA CYS 36 HA CYS 36 9.459 -3.697 3.894 219 HB2 CYS 36 1HB CYS 36 9.044 -1.529 1.852 220 HB3 CYS 36 2HB CYS 36 7.897 -1.759 3.169 221 H VAL 37 H VAL 37 8.670 -3.990 0.484 222 HA VAL 37 HA VAL 37 6.043 -5.105 1.133 223 HB VAL 37 HB VAL 37 5.586 -5.025 -1.259 224 HG11 VAL 37 1HG1 VAL 37 5.824 -2.538 -1.585 225 HG12 VAL 37 2HG1 VAL 37 5.042 -3.036 -0.084 226 HG13 VAL 37 3HG1 VAL 37 6.724 -2.505 -0.069 227 HG21 VAL 37 1HG2 VAL 37 8.371 -5.083 -1.507 228 HG22 VAL 37 2HG2 VAL 37 7.184 -4.981 -2.807 229 HG23 VAL 37 3HG2 VAL 37 7.873 -3.508 -2.125 230 H GLY 38 H GLY 38 9.212 -6.042 0.097 231 HA2 GLY 38 1HA GLY 38 10.041 -8.242 0.234 232 HA3 GLY 38 2HA GLY 38 8.390 -8.843 0.204 233 H LEU 39 H LEU 39 10.848 -7.287 -1.829 234 HA LEU 39 HA LEU 39 9.959 -8.963 -4.057 235 HB2 LEU 39 1HB LEU 39 10.099 -5.979 -4.013 236 HB3 LEU 39 2HB LEU 39 10.417 -6.850 -5.512 237 HG LEU 39 HG LEU 39 7.859 -6.988 -3.917 238 HD11 LEU 39 1HD1 LEU 39 6.875 -5.665 -5.656 239 HD12 LEU 39 2HD1 LEU 39 8.384 -5.657 -6.568 240 HD13 LEU 39 3HD1 LEU 39 8.281 -4.806 -5.027 241 HD21 LEU 39 1HD2 LEU 39 7.069 -8.055 -6.100 242 HD22 LEU 39 2HD2 LEU 39 8.062 -9.040 -5.026 243 HD23 LEU 39 3HD2 LEU 39 8.779 -8.298 -6.457 244 H THR 40 H THR 40 11.604 -9.845 -5.149 245 HA THR 40 HA THR 40 14.314 -9.135 -4.364 246 HB THR 40 HB THR 40 15.005 -11.153 -5.560 247 HG1 THR 40 1HG THR 40 13.753 -11.787 -7.137 248 HG21 THR 40 1HG2 THR 40 13.110 -11.105 -3.374 249 HG22 THR 40 2HG2 THR 40 14.543 -12.110 -3.597 250 HG23 THR 40 3HG2 THR 40 12.999 -12.609 -4.288 251 H GLU 41 H GLU 41 12.239 -9.065 -7.197 252 HA GLU 41 HA GLU 41 14.094 -7.242 -8.492 253 HB2 GLU 41 1HB GLU 41 14.414 -8.466 -10.463 254 HB3 GLU 41 2HB GLU 41 14.636 -9.653 -9.186 255 HG2 GLU 41 1HG GLU 41 12.048 -10.031 -9.599 256 HG3 GLU 41 2HG GLU 41 12.470 -9.401 -11.190 257 H ALA 42 H ALA 42 13.021 -6.825 -10.862 258 HA ALA 42 HA ALA 42 10.601 -5.468 -10.302 259 HB1 ALA 42 1HB ALA 42 12.113 -4.612 -11.966 260 HB2 ALA 42 2HB ALA 42 11.944 -6.079 -12.931 261 HB3 ALA 42 3HB ALA 42 10.571 -4.991 -12.734 262 HA PRO 43 HA PRO 43 7.833 -8.910 -10.844 263 HB2 PRO 43 1HB PRO 43 5.541 -7.481 -10.572 264 HB3 PRO 43 2HB PRO 43 6.557 -7.937 -9.199 265 HG2 PRO 43 1HG PRO 43 6.415 -5.332 -10.667 266 HG3 PRO 43 2HG PRO 43 6.514 -5.629 -8.922 267 HD2 PRO 43 1HD PRO 43 8.667 -4.921 -10.403 268 HD3 PRO 43 2HD PRO 43 8.791 -5.979 -8.983 269 H LYS 44 H LYS 44 8.063 -9.493 -12.982 270 HA LYS 44 HA LYS 44 7.645 -8.081 -15.268 271 HB2 LYS 44 1HB LYS 44 7.280 -10.949 -14.554 272 HB3 LYS 44 2HB LYS 44 6.657 -10.411 -16.109 273 HG2 LYS 44 1HG LYS 44 9.492 -9.969 -15.204 274 HG3 LYS 44 2HG LYS 44 8.967 -11.354 -16.165 275 HD2 LYS 44 1HD LYS 44 8.340 -8.574 -17.076 276 HD3 LYS 44 2HD LYS 44 9.946 -9.253 -17.352 277 HE2 LYS 44 1HE LYS 44 8.805 -11.226 -18.420 278 HE3 LYS 44 2HE LYS 44 7.300 -10.312 -18.329 279 HZ1 LYS 44 1HZ LYS 44 8.020 -9.775 -20.414 280 HZ2 LYS 44 2HZ LYS 44 9.660 -9.842 -20.007 281 HZ3 LYS 44 3HZ LYS 44 8.726 -8.513 -19.536 282 H GLY 45 H GLY 45 5.127 -9.922 -13.534 283 HA2 GLY 45 1HA GLY 45 3.022 -8.994 -15.224 284 HA3 GLY 45 2HA GLY 45 2.831 -9.836 -13.693 285 H LYS 46 H LYS 46 1.151 -8.508 -13.007 286 HA LYS 46 HA LYS 46 1.764 -5.665 -12.638 287 HB2 LYS 46 1HB LYS 46 -0.806 -7.235 -12.557 288 HB3 LYS 46 2HB LYS 46 -0.706 -5.578 -11.977 289 HG2 LYS 46 1HG LYS 46 0.270 -6.214 -14.718 290 HG3 LYS 46 2HG LYS 46 -1.466 -6.098 -14.421 291 HD2 LYS 46 1HD LYS 46 -1.233 -3.847 -13.610 292 HD3 LYS 46 2HD LYS 46 0.527 -3.957 -13.685 293 HE2 LYS 46 1HE LYS 46 -0.047 -2.770 -15.610 294 HE3 LYS 46 2HE LYS 46 0.194 -4.418 -16.186 295 HZ1 LYS 46 1HZ LYS 46 -2.038 -4.723 -16.525 296 HZ2 LYS 46 2HZ LYS 46 -1.894 -3.081 -16.901 297 HZ3 LYS 46 3HZ LYS 46 -2.500 -3.553 -15.394 298 H TRP 47 H TRP 47 2.114 -4.794 -10.684 299 HA TRP 47 HA TRP 47 1.691 -6.512 -8.326 300 HB2 TRP 47 1HB TRP 47 4.073 -6.264 -8.792 301 HB3 TRP 47 2HB TRP 47 3.906 -4.511 -8.817 302 HD1 TRP 47 HD TRP 47 4.159 -7.461 -6.426 303 HE1 TRP 47 1HE TRP 47 4.500 -6.571 -4.035 304 HE3 TRP 47 3HE TRP 47 3.369 -2.485 -7.292 305 HZ2 TRP 47 2HZ TRP 47 4.442 -4.088 -2.694 306 HZ3 TRP 47 3HZ TRP 47 3.530 -0.919 -5.401 307 HH2 TRP 47 HH TRP 47 4.055 -1.706 -3.150 308 H TYR 48 H TYR 48 0.559 -5.684 -6.669 309 HA TYR 48 HA TYR 48 -0.033 -2.799 -6.704 310 HB2 TYR 48 1HB TYR 48 -1.945 -5.086 -6.211 311 HB3 TYR 48 2HB TYR 48 -2.320 -3.409 -5.830 312 HD1 TYR 48 1HD TYR 48 -2.028 -1.722 -7.828 313 HD2 TYR 48 2HD TYR 48 -2.542 -5.921 -8.285 314 HE1 TYR 48 1HE TYR 48 -2.811 -1.369 -10.133 315 HE2 TYR 48 2HE TYR 48 -3.325 -5.580 -10.592 316 HH TYR 48 HH TYR 48 -4.489 -3.469 -11.846 317 H CYS 49 H CYS 49 0.676 -1.850 -4.925 318 HA CYS 49 HA CYS 49 1.881 -2.948 -2.767 319 HB2 CYS 49 1HB CYS 49 1.660 -0.891 -1.661 320 HB3 CYS 49 2HB CYS 49 1.546 -0.465 -3.366 321 HA PRO 50 HA PRO 50 -1.035 -5.027 -0.231 322 HB2 PRO 50 1HB PRO 50 -0.067 -4.503 2.251 323 HB3 PRO 50 2HB PRO 50 0.728 -5.609 1.123 324 HG2 PRO 50 1HG PRO 50 1.367 -2.750 1.741 325 HG3 PRO 50 2HG PRO 50 2.470 -4.123 1.530 326 HD2 PRO 50 1HD PRO 50 2.020 -2.301 -0.423 327 HD3 PRO 50 2HD PRO 50 2.377 -4.005 -0.770 328 H GLN 51 H GLN 51 -0.683 -1.642 -0.094 329 HA GLN 51 HA GLN 51 -2.710 -1.196 1.915 330 HB2 GLN 51 1HB GLN 51 -0.949 0.511 0.231 331 HB3 GLN 51 2HB GLN 51 -2.445 1.224 0.819 332 HG2 GLN 51 1HG GLN 51 -1.806 0.730 3.108 333 HG3 GLN 51 2HG GLN 51 -0.326 -0.042 2.541 334 HE21 GLN 51 1HE2 GLN 51 -1.861 2.935 1.428 335 HE22 GLN 51 2HE2 GLN 51 -0.542 3.976 1.828 336 H CYS 52 H CYS 52 -2.521 -1.447 -1.547 337 HA CYS 52 HA CYS 52 -5.190 -0.364 -1.935 338 HB2 CYS 52 1HB CYS 52 -3.040 -1.373 -3.778 339 HB3 CYS 52 2HB CYS 52 -4.682 -1.122 -4.363 340 H THR 53 H THR 53 -3.550 -3.444 -2.679 341 HA THR 53 HA THR 53 -5.652 -4.964 -3.499 342 HB THR 53 HB THR 53 -3.486 -5.922 -1.617 343 HG1 THR 53 1HG THR 53 -3.537 -5.321 -4.354 344 HG21 THR 53 1HG2 THR 53 -5.718 -7.270 -2.659 345 HG22 THR 53 2HG2 THR 53 -4.313 -7.978 -1.863 346 HG23 THR 53 3HG2 THR 53 -4.338 -7.805 -3.617 347 H ALA 54 H ALA 54 -4.971 -3.898 -0.243 348 HA ALA 54 HA ALA 54 -6.842 -5.649 1.033 349 HB1 ALA 54 1HB ALA 54 -5.360 -4.997 2.607 350 HB2 ALA 54 2HB ALA 54 -5.087 -3.424 1.857 351 HB3 ALA 54 3HB ALA 54 -6.524 -3.693 2.844 352 H ALA 55 H ALA 55 -6.911 -2.311 -0.123 353 HA ALA 55 HA ALA 55 -9.522 -1.752 0.895 354 HB1 ALA 55 1HB ALA 55 -9.198 0.353 0.138 355 HB2 ALA 55 2HB ALA 55 -7.519 -0.181 0.057 356 HB3 ALA 55 3HB ALA 55 -8.516 -0.185 -1.397 357 H MET 56 H MET 56 -8.243 -2.573 -2.319 358 HA MET 56 HA MET 56 -10.634 -2.423 -3.743 359 HB2 MET 56 1HB MET 56 -8.347 -4.338 -4.232 360 HB3 MET 56 2HB MET 56 -9.557 -3.840 -5.406 361 HG2 MET 56 1HG MET 56 -8.700 -1.656 -5.523 362 HG3 MET 56 2HG MET 56 -7.725 -1.878 -4.072 363 HE1 MET 56 1HE MET 56 -6.801 -4.421 -7.785 364 HE2 MET 56 2HE MET 56 -8.193 -4.581 -6.714 365 HE3 MET 56 3HE MET 56 -8.113 -3.245 -7.864 366 H LYS 57 H LYS 57 -9.277 -5.034 -1.810 367 HA LYS 57 HA LYS 57 -11.110 -7.041 -2.571 368 HB2 LYS 57 1HB LYS 57 -9.197 -6.640 -0.325 369 HB3 LYS 57 2HB LYS 57 -10.443 -7.865 -0.122 370 HG2 LYS 57 1HG LYS 57 -9.678 -8.801 -2.352 371 HG3 LYS 57 2HG LYS 57 -8.276 -7.741 -2.194 372 HD2 LYS 57 1HD LYS 57 -8.999 -9.511 0.092 373 HD3 LYS 57 2HD LYS 57 -8.216 -10.227 -1.319 374 HE2 LYS 57 1HE LYS 57 -6.495 -8.343 -1.075 375 HE3 LYS 57 2HE LYS 57 -7.180 -8.101 0.531 376 HZ1 LYS 57 1HZ LYS 57 -5.272 -9.559 0.626 377 HZ2 LYS 57 2HZ LYS 57 -5.979 -10.619 -0.488 378 HZ3 LYS 57 3HZ LYS 57 -6.670 -10.417 1.043 379 H ARG 58 H ARG 58 -11.062 -4.855 0.239 380 HA ARG 58 HA ARG 58 -13.336 -5.700 1.535 381 HB2 ARG 58 1HB ARG 58 -12.206 -2.921 1.215 382 HB3 ARG 58 2HB ARG 58 -13.558 -3.283 2.280 383 HG2 ARG 58 1HG ARG 58 -12.066 -4.955 3.424 384 HG3 ARG 58 2HG ARG 58 -10.732 -4.283 2.483 385 HD2 ARG 58 1HD ARG 58 -10.997 -2.142 3.488 386 HD3 ARG 58 2HD ARG 58 -12.522 -2.615 4.236 387 HE ARG 58 HE ARG 58 -10.332 -4.248 5.080 388 HH11 ARG 58 2HH1 ARG 58 -11.951 -1.210 5.595 389 HH12 ARG 58 1HH1 ARG 58 -11.415 -1.053 7.235 390 HH21 ARG 58 2HH2 ARG 58 -9.619 -4.053 7.238 391 HH22 ARG 58 1HH2 ARG 58 -10.088 -2.671 8.168 392 H ARG 59 H ARG 59 -13.109 -3.350 -1.119 393 HA ARG 59 HA ARG 59 -15.789 -2.626 -1.266 394 HB2 ARG 59 1HB ARG 59 -13.942 -1.531 -2.514 395 HB3 ARG 59 2HB ARG 59 -13.867 -2.928 -3.579 396 HG2 ARG 59 1HG ARG 59 -16.433 -2.364 -3.896 397 HG3 ARG 59 2HG ARG 59 -15.875 -0.755 -3.434 398 HD2 ARG 59 1HD ARG 59 -14.009 -1.238 -5.214 399 HD3 ARG 59 2HD ARG 59 -15.191 -2.392 -5.830 400 HE ARG 59 HE ARG 59 -16.511 -0.638 -6.530 401 HH11 ARG 59 2HH1 ARG 59 -13.922 0.544 -4.524 402 HH12 ARG 59 1HH1 ARG 59 -14.207 2.208 -4.912 403 HH21 ARG 59 2HH2 ARG 59 -16.895 1.550 -7.048 404 HH22 ARG 59 1HH2 ARG 59 -15.899 2.780 -6.347 405 H GLY 60 H GLY 60 -14.150 -5.487 -2.443 406 HA2 GLY 60 1HA GLY 60 -16.288 -6.392 -4.111 407 HA3 GLY 60 2HA GLY 60 -14.918 -7.348 -3.565 408 H SER 61 H SER 61 -15.035 -8.393 -1.513 409 HA SER 61 HA SER 61 -17.805 -8.978 -0.732 410 HB2 SER 61 1HB SER 61 -15.246 -10.550 -0.378 411 HB3 SER 61 2HB SER 61 -16.785 -11.021 0.343 412 HG SER 61 HG SER 61 -17.376 -10.614 -2.126 413 H ARG 62 H ARG 62 -18.313 -7.470 0.781 414 HA ARG 62 HA ARG 62 -16.519 -7.229 3.104 415 HB2 ARG 62 1HB ARG 62 -17.120 -5.161 1.701 416 HB3 ARG 62 2HB ARG 62 -18.722 -5.298 2.413 417 HG2 ARG 62 1HG ARG 62 -17.599 -3.739 3.741 418 HG3 ARG 62 2HG ARG 62 -17.552 -5.239 4.670 419 HD2 ARG 62 1HD ARG 62 -15.270 -5.580 3.440 420 HD3 ARG 62 2HD ARG 62 -15.356 -3.833 3.214 421 HE ARG 62 HE ARG 62 -14.981 -3.542 5.467 422 HH11 ARG 62 2HH1 ARG 62 -15.613 -6.899 4.791 423 HH12 ARG 62 1HH1 ARG 62 -15.133 -7.441 6.366 424 HH21 ARG 62 2HH2 ARG 62 -14.348 -4.243 7.543 425 HH22 ARG 62 1HH2 ARG 62 -14.415 -5.929 7.931 426 H HIS 63 H HIS 63 -17.510 -7.065 5.213 427 HA HIS 63 HA HIS 63 -20.130 -8.407 5.360 428 HB2 HIS 63 1HB HIS 63 -17.936 -9.673 6.078 429 HB3 HIS 63 2HB HIS 63 -18.107 -8.712 7.544 430 HD1 HIS 63 1HD HIS 63 -18.412 -11.845 7.414 431 HD2 HIS 63 2HD HIS 63 -21.532 -9.102 7.433 432 HE1 HIS 63 1HE HIS 63 -20.409 -13.104 8.281 433 HE2 HIS 63 2HE HIS 63 -22.304 -11.447 8.203 434 H LYS 64 H LYS 64 -21.363 -6.594 5.687 435 HA LYS 64 HA LYS 64 -20.827 -4.353 7.166 436 HB2 LYS 64 1HB LYS 64 -22.873 -4.797 5.765 437 HB3 LYS 64 2HB LYS 64 -23.520 -5.722 7.113 438 HG2 LYS 64 1HG LYS 64 -22.620 -2.939 7.627 439 HG3 LYS 64 2HG LYS 64 -24.131 -3.187 6.750 440 HD2 LYS 64 1HD LYS 64 -25.158 -4.214 8.549 441 HD3 LYS 64 2HD LYS 64 -23.626 -4.690 9.284 442 HE2 LYS 64 1HE LYS 64 -24.685 -1.870 9.102 443 HE3 LYS 64 2HE LYS 64 -24.742 -2.893 10.537 444 HZ1 LYS 64 1HZ LYS 64 -22.211 -3.026 10.211 445 HZ2 LYS 64 2HZ LYS 64 -22.866 -1.614 10.872 446 HZ3 LYS 64 3HZ LYS 64 -22.402 -1.650 9.246 447 H SER 65 H SER 65 -22.768 -7.067 8.434 448 HA SER 65 HA SER 65 -23.038 -6.428 11.019 449 HB2 SER 65 1HB SER 65 -22.395 -9.081 9.764 450 HB3 SER 65 2HB SER 65 -22.598 -8.948 11.511 451 HG SER 65 HG SER 65 -24.651 -7.762 10.775 452 H GLY 66 H GLY 66 -21.778 -5.856 12.662 453 HA2 GLY 66 1HA GLY 66 -18.958 -6.737 12.624 454 HA3 GLY 66 2HA GLY 66 -19.409 -5.089 13.034 455 HA PRO 67 HA PRO 67 -19.619 -8.197 16.717 456 HB2 PRO 67 1HB PRO 67 -17.055 -8.164 17.609 457 HB3 PRO 67 2HB PRO 67 -17.657 -9.364 16.459 458 HG2 PRO 67 1HG PRO 67 -16.087 -6.868 15.943 459 HG3 PRO 67 2HG PRO 67 -15.888 -8.482 15.234 460 HD2 PRO 67 1HD PRO 67 -17.152 -6.467 13.939 461 HD3 PRO 67 2HD PRO 67 -17.607 -8.170 13.730 462 H SER 68 H SER 68 -19.012 -7.623 19.027 463 HA SER 68 HA SER 68 -18.913 -4.691 19.319 464 HB2 SER 68 1HB SER 68 -21.083 -5.322 19.992 465 HB3 SER 68 2HB SER 68 -20.501 -6.769 20.814 466 HG SER 68 HG SER 68 -20.666 -4.177 21.712 467 H SER 69 H SER 69 -17.503 -3.821 20.748 468 HA SER 69 HA SER 69 -16.306 -5.222 22.895 469 HB2 SER 69 1HB SER 69 -15.172 -6.277 20.866 470 HB3 SER 69 2HB SER 69 -14.405 -4.711 20.605 471 HG SER 69 HG SER 69 -13.492 -4.891 22.686 472 H GLY 70 H GLY 70 -15.009 -3.888 24.190 473 HA2 GLY 70 1HA GLY 70 -13.768 -1.540 23.668 474 HA3 GLY 70 2HA GLY 70 -15.457 -1.065 23.770 Start of MODEL 7 1 H1 GLY 1 H GLY 1 18.804 17.822 15.406 2 HA2 GLY 1 1HA GLY 1 16.585 17.348 15.758 3 HA3 GLY 1 2HA GLY 1 16.277 18.925 15.046 4 H SER 2 H SER 2 15.870 19.076 12.795 5 HA SER 2 HA SER 2 14.719 16.615 11.708 6 HB2 SER 2 1HB SER 2 13.179 18.455 11.743 7 HB3 SER 2 2HB SER 2 14.352 19.526 10.976 8 HG SER 2 HG SER 2 12.666 17.667 9.856 9 H SER 3 H SER 3 15.029 16.066 9.465 10 HA SER 3 HA SER 3 17.674 16.901 8.470 11 HB2 SER 3 1HB SER 3 16.213 14.269 8.190 12 HB3 SER 3 2HB SER 3 17.667 14.674 7.277 13 HG SER 3 HG SER 3 17.854 15.091 9.994 14 H GLY 4 H GLY 4 14.439 15.857 7.415 15 HA2 GLY 4 1HA GLY 4 13.403 17.488 5.798 16 HA3 GLY 4 2HA GLY 4 14.901 17.326 4.894 17 H SER 5 H SER 5 13.092 14.758 6.512 18 HA SER 5 HA SER 5 13.161 13.145 4.141 19 HB2 SER 5 1HB SER 5 11.695 12.649 6.743 20 HB3 SER 5 2HB SER 5 12.043 11.452 5.496 21 HG SER 5 HG SER 5 13.557 11.373 7.211 22 H SER 6 H SER 6 11.458 12.491 2.851 23 HA SER 6 HA SER 6 9.134 14.272 2.901 24 HB2 SER 6 1HB SER 6 10.341 12.535 0.748 25 HB3 SER 6 2HB SER 6 8.757 13.289 0.571 26 HG SER 6 HG SER 6 11.214 14.632 1.042 27 H GLY 7 H GLY 7 10.001 11.185 3.850 28 HA2 GLY 7 1HA GLY 7 8.825 9.256 4.319 29 HA3 GLY 7 2HA GLY 7 7.608 10.395 4.877 30 H TYR 8 H TYR 8 8.544 8.194 2.384 31 HA TYR 8 HA TYR 8 6.008 8.718 0.979 32 HB2 TYR 8 1HB TYR 8 8.722 7.972 0.011 33 HB3 TYR 8 2HB TYR 8 7.342 7.297 -0.848 34 HD1 TYR 8 1HD TYR 8 9.133 10.384 0.012 35 HD2 TYR 8 2HD TYR 8 5.892 8.702 -2.172 36 HE1 TYR 8 1HE TYR 8 8.901 12.483 -1.249 37 HE2 TYR 8 2HE TYR 8 5.652 10.796 -3.440 38 HH TYR 8 HH TYR 8 6.201 13.100 -3.309 39 H CYS 9 H CYS 9 8.278 5.978 1.190 40 HA CYS 9 HA CYS 9 6.467 3.945 0.818 41 HB2 CYS 9 1HB CYS 9 8.914 3.630 0.885 42 HB3 CYS 9 2HB CYS 9 8.891 3.878 2.628 43 H ILE 10 H ILE 10 5.664 2.335 2.404 44 HA ILE 10 HA ILE 10 3.900 3.449 4.224 45 HB ILE 10 HB ILE 10 3.819 1.118 5.247 46 HG12 ILE 10 1HG1 ILE 10 5.533 0.357 2.889 47 HG13 ILE 10 2HG1 ILE 10 6.229 0.650 4.480 48 HG21 ILE 10 1HG2 ILE 10 2.133 1.380 3.751 49 HG22 ILE 10 2HG2 ILE 10 3.214 1.883 2.453 50 HG23 ILE 10 3HG2 ILE 10 3.071 0.175 2.869 51 HD11 ILE 10 1HD1 ILE 10 4.887 -1.134 5.418 52 HD12 ILE 10 2HD1 ILE 10 4.120 -1.402 3.853 53 HD13 ILE 10 3HD1 ILE 10 5.842 -1.723 4.058 54 H CYS 11 H CYS 11 7.245 2.615 4.617 55 HA CYS 11 HA CYS 11 7.184 2.697 7.499 56 HB2 CYS 11 1HB CYS 11 9.649 2.518 7.313 57 HB3 CYS 11 2HB CYS 11 8.811 1.266 6.402 58 H ASN 12 H ASN 12 6.581 5.050 5.493 59 HA ASN 12 HA ASN 12 6.836 7.313 5.436 60 HB2 ASN 12 1HB ASN 12 7.084 6.592 8.324 61 HB3 ASN 12 2HB ASN 12 7.423 8.253 7.845 62 HD21 ASN 12 1HD2 ASN 12 5.009 5.720 7.253 63 HD22 ASN 12 2HD2 ASN 12 3.639 6.769 7.346 64 H GLN 13 H GLN 13 8.981 6.228 4.333 65 HA GLN 13 HA GLN 13 11.211 7.832 5.389 66 HB2 GLN 13 1HB GLN 13 11.356 5.058 4.200 67 HB3 GLN 13 2HB GLN 13 12.756 6.062 4.551 68 HG2 GLN 13 1HG GLN 13 10.835 5.542 6.749 69 HG3 GLN 13 2HG GLN 13 11.885 4.224 6.233 70 HE21 GLN 13 1HE2 GLN 13 11.936 7.611 7.239 71 HE22 GLN 13 2HE2 GLN 13 13.473 7.540 8.024 72 H VAL 14 H VAL 14 12.756 8.542 3.790 73 HA VAL 14 HA VAL 14 11.609 9.684 1.531 74 HB VAL 14 HB VAL 14 13.963 10.035 0.734 75 HG11 VAL 14 1HG1 VAL 14 12.662 11.044 3.067 76 HG12 VAL 14 2HG1 VAL 14 14.404 11.005 3.347 77 HG13 VAL 14 3HG1 VAL 14 13.752 11.875 1.958 78 HG21 VAL 14 1HG2 VAL 14 14.444 8.045 2.836 79 HG22 VAL 14 2HG2 VAL 14 15.404 8.448 1.412 80 HG23 VAL 14 3HG2 VAL 14 15.533 9.432 2.870 81 H SER 15 H SER 15 12.315 9.324 -0.756 82 HA SER 15 HA SER 15 11.892 6.538 -1.432 83 HB2 SER 15 1HB SER 15 11.715 7.383 -3.759 84 HB3 SER 15 2HB SER 15 10.631 8.228 -2.655 85 HG SER 15 HG SER 15 11.635 9.784 -3.851 86 H TYR 16 H TYR 16 13.749 5.411 -1.057 87 HA TYR 16 HA TYR 16 16.038 6.105 -2.764 88 HB2 TYR 16 1HB TYR 16 17.614 5.671 -1.038 89 HB3 TYR 16 2HB TYR 16 16.413 6.752 -0.341 90 HD1 TYR 16 1HD TYR 16 17.447 3.191 -0.522 91 HD2 TYR 16 2HD TYR 16 15.222 6.139 1.591 92 HE1 TYR 16 1HE TYR 16 17.084 1.594 1.312 93 HE2 TYR 16 2HE TYR 16 14.854 4.550 3.431 94 HH TYR 16 HH TYR 16 14.991 1.522 3.302 95 H GLY 17 H GLY 17 17.513 4.249 -3.124 96 HA2 GLY 17 1HA GLY 17 17.892 2.081 -3.778 97 HA3 GLY 17 2HA GLY 17 16.804 1.600 -2.484 98 H GLU 18 H GLU 18 16.497 -0.062 -4.340 99 HA GLU 18 HA GLU 18 14.978 0.659 -6.607 100 HB2 GLU 18 1HB GLU 18 15.168 -1.999 -5.178 101 HB3 GLU 18 2HB GLU 18 14.473 -1.758 -6.775 102 HG2 GLU 18 1HG GLU 18 16.661 -2.589 -7.089 103 HG3 GLU 18 2HG GLU 18 16.696 -0.878 -7.513 104 H MET 19 H MET 19 13.071 1.653 -6.449 105 HA MET 19 HA MET 19 11.136 0.653 -4.467 106 HB2 MET 19 1HB MET 19 11.355 3.378 -5.756 107 HB3 MET 19 2HB MET 19 10.039 2.882 -4.700 108 HG2 MET 19 1HG MET 19 12.060 2.317 -3.081 109 HG3 MET 19 2HG MET 19 12.846 3.561 -4.052 110 HE1 MET 19 1HE MET 19 9.449 2.708 -2.800 111 HE2 MET 19 2HE MET 19 9.817 3.208 -1.149 112 HE3 MET 19 3HE MET 19 8.773 4.207 -2.161 113 H VAL 20 H VAL 20 9.100 0.076 -5.107 114 HA VAL 20 HA VAL 20 8.674 -0.096 -8.012 115 HB VAL 20 HB VAL 20 8.710 -2.253 -6.847 116 HG11 VAL 20 1HG1 VAL 20 7.258 -2.843 -5.118 117 HG12 VAL 20 2HG1 VAL 20 7.772 -1.210 -4.694 118 HG13 VAL 20 3HG1 VAL 20 6.188 -1.475 -5.423 119 HG21 VAL 20 1HG2 VAL 20 5.965 -2.493 -7.403 120 HG22 VAL 20 2HG2 VAL 20 6.586 -1.252 -8.491 121 HG23 VAL 20 3HG2 VAL 20 7.319 -2.856 -8.472 122 H GLY 21 H GLY 21 7.479 1.567 -8.707 123 HA2 GLY 21 1HA GLY 21 5.647 3.011 -7.101 124 HA3 GLY 21 2HA GLY 21 5.791 3.119 -8.849 125 H CYS 22 H CYS 22 3.566 2.703 -6.646 126 HA CYS 22 HA CYS 22 2.249 0.301 -7.233 127 HB2 CYS 22 1HB CYS 22 1.718 1.751 -5.295 128 HB3 CYS 22 2HB CYS 22 1.013 2.931 -6.394 129 H ASP 23 H ASP 23 1.345 -0.374 -9.050 130 HA ASP 23 HA ASP 23 1.214 0.892 -11.441 131 HB2 ASP 23 1HB ASP 23 0.690 -1.511 -11.056 132 HB3 ASP 23 2HB ASP 23 -0.892 -1.037 -10.443 133 H ASN 24 H ASN 24 -1.107 1.152 -8.816 134 HA ASN 24 HA ASN 24 -2.969 2.720 -10.359 135 HB2 ASN 24 1HB ASN 24 -3.562 1.180 -8.410 136 HB3 ASN 24 2HB ASN 24 -2.926 2.440 -7.356 137 HD21 ASN 24 1HD2 ASN 24 -4.748 3.109 -6.389 138 HD22 ASN 24 2HD2 ASN 24 -6.104 3.789 -7.215 139 H GLN 25 H GLN 25 -2.214 4.655 -11.008 140 HA GLN 25 HA GLN 25 -0.356 6.261 -9.704 141 HB2 GLN 25 1HB GLN 25 -1.252 8.109 -11.117 142 HB3 GLN 25 2HB GLN 25 -0.879 6.646 -12.017 143 HG2 GLN 25 1HG GLN 25 -3.384 6.094 -11.683 144 HG3 GLN 25 2HG GLN 25 -3.539 7.815 -11.333 145 HE21 GLN 25 1HE2 GLN 25 -4.175 5.803 -13.645 146 HE22 GLN 25 2HE2 GLN 25 -3.752 6.715 -15.050 147 H ASP 26 H ASP 26 -3.801 5.960 -9.246 148 HA ASP 26 HA ASP 26 -4.301 8.331 -7.844 149 HB2 ASP 26 1HB ASP 26 -5.608 5.622 -7.832 150 HB3 ASP 26 2HB ASP 26 -6.170 6.906 -6.765 151 H CYS 27 H CYS 27 -2.558 5.526 -6.943 152 HA CYS 27 HA CYS 27 -2.889 5.416 -4.195 153 HB2 CYS 27 1HB CYS 27 -1.463 3.943 -5.819 154 HB3 CYS 27 2HB CYS 27 -0.169 5.064 -5.409 155 HA PRO 28 HA PRO 28 -1.301 9.287 -2.777 156 HB2 PRO 28 1HB PRO 28 -1.047 8.633 -0.155 157 HB3 PRO 28 2HB PRO 28 -2.609 8.956 -0.917 158 HG2 PRO 28 1HG PRO 28 -1.306 6.331 -0.307 159 HG3 PRO 28 2HG PRO 28 -2.997 6.818 -0.088 160 HD2 PRO 28 1HD PRO 28 -2.171 5.325 -2.191 161 HD3 PRO 28 2HD PRO 28 -3.512 6.482 -2.310 162 H ILE 29 H ILE 29 0.346 6.254 -2.406 163 HA ILE 29 HA ILE 29 2.842 7.644 -1.711 164 HB ILE 29 HB ILE 29 2.354 4.669 -1.643 165 HG12 ILE 29 1HG1 ILE 29 2.325 6.548 0.720 166 HG13 ILE 29 2HG1 ILE 29 0.860 6.015 -0.096 167 HG21 ILE 29 1HG2 ILE 29 4.589 6.471 -0.857 168 HG22 ILE 29 2HG2 ILE 29 4.310 5.005 0.081 169 HG23 ILE 29 3HG2 ILE 29 4.633 4.896 -1.649 170 HD11 ILE 29 1HD1 ILE 29 1.075 3.849 0.656 171 HD12 ILE 29 2HD1 ILE 29 2.810 4.008 0.936 172 HD13 ILE 29 3HD1 ILE 29 1.664 4.786 2.028 173 H GLU 30 H GLU 30 1.684 4.985 -3.789 174 HA GLU 30 HA GLU 30 2.468 4.153 -5.762 175 HB2 GLU 30 1HB GLU 30 1.604 6.495 -6.346 176 HB3 GLU 30 2HB GLU 30 3.293 6.979 -6.396 177 HG2 GLU 30 1HG GLU 30 3.455 4.881 -8.005 178 HG3 GLU 30 2HG GLU 30 1.753 5.263 -8.253 179 H TRP 31 H TRP 31 4.359 4.320 -3.518 180 HA TRP 31 HA TRP 31 6.723 3.608 -4.949 181 HB2 TRP 31 1HB TRP 31 6.707 6.185 -3.374 182 HB3 TRP 31 2HB TRP 31 8.183 5.325 -3.801 183 HD1 TRP 31 HD TRP 31 5.645 7.723 -5.185 184 HE1 TRP 31 1HE TRP 31 6.275 8.351 -7.601 185 HE3 TRP 31 3HE TRP 31 9.309 4.251 -5.997 186 HZ2 TRP 31 2HZ TRP 31 8.084 7.488 -9.588 187 HZ3 TRP 31 3HZ TRP 31 10.439 4.219 -8.183 188 HH2 TRP 31 HH TRP 31 9.838 5.804 -9.939 189 H PHE 32 H PHE 32 6.990 1.750 -3.866 190 HA PHE 32 HA PHE 32 7.317 1.919 -0.947 191 HB2 PHE 32 1HB PHE 32 6.049 -0.396 -2.424 192 HB3 PHE 32 2HB PHE 32 6.252 -0.247 -0.682 193 HD1 PHE 32 1HD PHE 32 4.712 1.593 -3.537 194 HD2 PHE 32 2HD PHE 32 4.460 0.469 0.561 195 HE1 PHE 32 1HE PHE 32 2.508 2.675 -3.379 196 HE2 PHE 32 2HE PHE 32 2.256 1.549 0.725 197 HZ PHE 32 HZ PHE 32 1.276 2.653 -1.246 198 H HIS 33 H HIS 33 8.926 0.650 -0.045 199 HA HIS 33 HA HIS 33 11.118 0.020 -1.748 200 HB2 HIS 33 1HB HIS 33 10.724 -0.688 1.166 201 HB3 HIS 33 2HB HIS 33 12.252 -0.690 0.292 202 HD2 HIS 33 2HD HIS 33 11.692 2.347 -1.104 203 HE1 HIS 33 1HE HIS 33 11.839 3.572 2.955 204 HE2 HIS 33 2HE HIS 33 11.891 4.324 0.552 205 H TYR 34 H TYR 34 12.095 -2.014 -2.111 206 HA TYR 34 HA TYR 34 10.271 -4.097 -2.698 207 HB2 TYR 34 1HB TYR 34 13.246 -3.795 -2.811 208 HB3 TYR 34 2HB TYR 34 12.541 -5.398 -2.987 209 HD1 TYR 34 2HD TYR 34 11.064 -2.228 -4.208 210 HD2 TYR 34 1HD TYR 34 13.070 -5.833 -5.249 211 HE1 TYR 34 2HE TYR 34 10.633 -1.773 -6.586 212 HE2 TYR 34 1HE TYR 34 12.645 -5.388 -7.631 213 HH TYR 34 HH TYR 34 12.204 -3.326 -9.067 214 H GLY 35 H GLY 35 12.543 -3.544 -0.062 215 HA2 GLY 35 1HA GLY 35 12.197 -6.148 1.094 216 HA3 GLY 35 2HA GLY 35 12.995 -4.772 1.842 217 H CYS 36 H CYS 36 10.537 -3.112 1.340 218 HA CYS 36 HA CYS 36 9.261 -3.688 3.845 219 HB2 CYS 36 1HB CYS 36 9.023 -1.553 1.766 220 HB3 CYS 36 2HB CYS 36 7.718 -1.748 2.932 221 H VAL 37 H VAL 37 8.379 -3.926 0.434 222 HA VAL 37 HA VAL 37 5.752 -4.990 1.114 223 HB VAL 37 HB VAL 37 5.252 -4.918 -1.234 224 HG11 VAL 37 1HG1 VAL 37 6.696 -2.495 -0.196 225 HG12 VAL 37 2HG1 VAL 37 5.829 -2.492 -1.733 226 HG13 VAL 37 3HG1 VAL 37 4.961 -2.809 -0.230 227 HG21 VAL 37 1HG2 VAL 37 6.797 -4.575 -2.952 228 HG22 VAL 37 2HG2 VAL 37 8.033 -3.971 -1.848 229 HG23 VAL 37 3HG2 VAL 37 7.623 -5.687 -1.860 230 H GLY 38 H GLY 38 8.888 -6.077 0.115 231 HA2 GLY 38 1HA GLY 38 9.651 -8.292 0.318 232 HA3 GLY 38 2HA GLY 38 7.981 -8.840 0.357 233 H LEU 39 H LEU 39 10.313 -7.304 -1.853 234 HA LEU 39 HA LEU 39 9.294 -9.060 -3.981 235 HB2 LEU 39 1HB LEU 39 9.705 -6.106 -4.008 236 HB3 LEU 39 2HB LEU 39 9.976 -7.022 -5.489 237 HG LEU 39 HG LEU 39 7.386 -7.037 -3.943 238 HD11 LEU 39 1HD1 LEU 39 8.229 -5.401 -6.328 239 HD12 LEU 39 2HD1 LEU 39 7.727 -4.809 -4.745 240 HD13 LEU 39 3HD1 LEU 39 6.558 -5.602 -5.800 241 HD21 LEU 39 1HD2 LEU 39 6.565 -8.433 -5.511 242 HD22 LEU 39 2HD2 LEU 39 8.261 -8.873 -5.709 243 HD23 LEU 39 3HD2 LEU 39 7.516 -7.712 -6.809 244 H THR 40 H THR 40 11.075 -10.439 -3.546 245 HA THR 40 HA THR 40 13.732 -9.824 -3.341 246 HB THR 40 HB THR 40 14.243 -12.027 -4.288 247 HG1 THR 40 1HG THR 40 11.667 -11.721 -5.328 248 HG21 THR 40 1HG2 THR 40 12.269 -11.553 -2.196 249 HG22 THR 40 2HG2 THR 40 13.675 -12.618 -2.202 250 HG23 THR 40 3HG2 THR 40 12.151 -13.166 -2.899 251 H GLU 41 H GLU 41 11.723 -9.661 -6.174 252 HA GLU 41 HA GLU 41 13.833 -8.304 -7.614 253 HB2 GLU 41 1HB GLU 41 14.043 -9.755 -9.422 254 HB3 GLU 41 2HB GLU 41 13.998 -10.850 -8.048 255 HG2 GLU 41 1HG GLU 41 11.413 -10.841 -8.574 256 HG3 GLU 41 2HG GLU 41 11.987 -10.391 -10.179 257 H ALA 42 H ALA 42 12.895 -7.869 -9.988 258 HA ALA 42 HA ALA 42 10.616 -6.230 -9.599 259 HB1 ALA 42 1HB ALA 42 12.263 -5.573 -11.203 260 HB2 ALA 42 2HB ALA 42 12.054 -7.072 -12.109 261 HB3 ALA 42 3HB ALA 42 10.755 -5.880 -12.065 262 HA PRO 43 HA PRO 43 7.445 -9.259 -10.225 263 HB2 PRO 43 1HB PRO 43 5.369 -7.524 -10.450 264 HB3 PRO 43 2HB PRO 43 6.130 -7.916 -8.904 265 HG2 PRO 43 1HG PRO 43 6.551 -5.538 -10.673 266 HG3 PRO 43 2HG PRO 43 6.389 -5.605 -8.908 267 HD2 PRO 43 1HD PRO 43 8.789 -5.388 -10.143 268 HD3 PRO 43 2HD PRO 43 8.581 -6.250 -8.605 269 H LYS 44 H LYS 44 7.121 -10.308 -12.074 270 HA LYS 44 HA LYS 44 7.500 -9.239 -14.628 271 HB2 LYS 44 1HB LYS 44 6.081 -11.718 -13.669 272 HB3 LYS 44 2HB LYS 44 6.235 -11.333 -15.378 273 HG2 LYS 44 1HG LYS 44 8.602 -11.548 -13.540 274 HG3 LYS 44 2HG LYS 44 7.944 -12.923 -14.430 275 HD2 LYS 44 1HD LYS 44 8.737 -10.367 -15.799 276 HD3 LYS 44 2HD LYS 44 9.896 -11.664 -15.492 277 HE2 LYS 44 1HE LYS 44 8.627 -13.199 -16.817 278 HE3 LYS 44 2HE LYS 44 7.296 -12.053 -16.966 279 HZ1 LYS 44 1HZ LYS 44 8.245 -11.336 -18.817 280 HZ2 LYS 44 2HZ LYS 44 9.608 -12.307 -18.575 281 HZ3 LYS 44 3HZ LYS 44 9.547 -10.754 -17.907 282 H GLY 45 H GLY 45 4.423 -10.152 -13.058 283 HA2 GLY 45 1HA GLY 45 2.886 -8.826 -15.108 284 HA3 GLY 45 2HA GLY 45 2.252 -9.614 -13.671 285 H LYS 46 H LYS 46 0.821 -7.914 -13.252 286 HA LYS 46 HA LYS 46 1.915 -5.263 -12.766 287 HB2 LYS 46 1HB LYS 46 -0.879 -6.391 -12.768 288 HB3 LYS 46 2HB LYS 46 -0.534 -4.764 -12.197 289 HG2 LYS 46 1HG LYS 46 0.333 -5.669 -14.917 290 HG3 LYS 46 2HG LYS 46 -1.301 -5.069 -14.621 291 HD2 LYS 46 1HD LYS 46 -0.386 -2.971 -13.775 292 HD3 LYS 46 2HD LYS 46 1.254 -3.572 -14.032 293 HE2 LYS 46 1HE LYS 46 0.969 -2.367 -15.953 294 HE3 LYS 46 2HE LYS 46 0.366 -3.934 -16.488 295 HZ1 LYS 46 1HZ LYS 46 -1.319 -1.695 -15.504 296 HZ2 LYS 46 2HZ LYS 46 -1.882 -3.189 -16.063 297 HZ3 LYS 46 3HZ LYS 46 -1.112 -2.123 -17.128 298 H TRP 47 H TRP 47 2.485 -4.522 -10.829 299 HA TRP 47 HA TRP 47 1.830 -6.152 -8.476 300 HB2 TRP 47 1HB TRP 47 4.218 -5.828 -8.880 301 HB3 TRP 47 2HB TRP 47 3.999 -4.081 -8.880 302 HD1 TRP 47 HD TRP 47 4.129 -7.083 -6.510 303 HE1 TRP 47 1HE TRP 47 4.435 -6.219 -4.105 304 HE3 TRP 47 3HE TRP 47 3.563 -2.075 -7.368 305 HZ2 TRP 47 2HZ TRP 47 4.436 -3.743 -2.750 306 HZ3 TRP 47 3HZ TRP 47 3.730 -0.526 -5.463 307 HH2 TRP 47 HH TRP 47 4.157 -1.344 -3.203 308 H TYR 48 H TYR 48 0.652 -5.361 -6.828 309 HA TYR 48 HA TYR 48 -0.055 -2.502 -6.891 310 HB2 TYR 48 1HB TYR 48 -1.864 -4.866 -6.370 311 HB3 TYR 48 2HB TYR 48 -2.314 -3.201 -6.016 312 HD1 TYR 48 1HD TYR 48 -2.253 -1.533 -7.984 313 HD2 TYR 48 2HD TYR 48 -2.254 -5.758 -8.487 314 HE1 TYR 48 1HE TYR 48 -3.043 -1.251 -10.296 315 HE2 TYR 48 2HE TYR 48 -3.043 -5.488 -10.801 316 HH TYR 48 HH TYR 48 -4.097 -2.424 -12.037 317 H CYS 49 H CYS 49 0.652 -1.512 -5.132 318 HA CYS 49 HA CYS 49 1.872 -2.546 -2.951 319 HB2 CYS 49 1HB CYS 49 1.614 -0.473 -1.890 320 HB3 CYS 49 2HB CYS 49 1.481 -0.080 -3.601 321 HA PRO 50 HA PRO 50 -1.010 -4.635 -0.385 322 HB2 PRO 50 1HB PRO 50 -0.061 -4.045 2.089 323 HB3 PRO 50 2HB PRO 50 0.759 -5.155 0.986 324 HG2 PRO 50 1HG PRO 50 1.338 -2.273 1.551 325 HG3 PRO 50 2HG PRO 50 2.469 -3.626 1.369 326 HD2 PRO 50 1HD PRO 50 1.990 -1.852 -0.619 327 HD3 PRO 50 2HD PRO 50 2.382 -3.554 -0.933 328 H GLN 51 H GLN 51 -0.724 -1.240 -0.305 329 HA GLN 51 HA GLN 51 -2.766 -0.797 1.687 330 HB2 GLN 51 1HB GLN 51 -1.032 0.910 -0.022 331 HB3 GLN 51 2HB GLN 51 -2.546 1.606 0.538 332 HG2 GLN 51 1HG GLN 51 -1.926 1.241 2.831 333 HG3 GLN 51 2HG GLN 51 -0.466 0.386 2.336 334 HE21 GLN 51 1HE2 GLN 51 -1.915 3.391 1.157 335 HE22 GLN 51 2HE2 GLN 51 -0.544 4.389 1.490 336 H CYS 52 H CYS 52 -2.567 -1.130 -1.765 337 HA CYS 52 HA CYS 52 -5.265 -0.117 -2.169 338 HB2 CYS 52 1HB CYS 52 -3.087 -1.073 -4.010 339 HB3 CYS 52 2HB CYS 52 -4.733 -0.852 -4.592 340 H THR 53 H THR 53 -3.514 -3.144 -2.869 341 HA THR 53 HA THR 53 -5.586 -4.731 -3.682 342 HB THR 53 HB THR 53 -3.358 -5.639 -1.849 343 HG1 THR 53 1HG THR 53 -2.375 -4.721 -3.594 344 HG21 THR 53 1HG2 THR 53 -4.218 -7.681 -2.079 345 HG22 THR 53 2HG2 THR 53 -4.052 -7.549 -3.830 346 HG23 THR 53 3HG2 THR 53 -5.541 -7.026 -3.043 347 H ALA 54 H ALA 54 -4.876 -3.640 -0.444 348 HA ALA 54 HA ALA 54 -6.663 -5.468 0.860 349 HB1 ALA 54 1HB ALA 54 -6.339 -3.579 2.713 350 HB2 ALA 54 2HB ALA 54 -5.113 -4.802 2.377 351 HB3 ALA 54 3HB ALA 54 -4.962 -3.188 1.682 352 H ALA 55 H ALA 55 -6.818 -2.097 -0.200 353 HA ALA 55 HA ALA 55 -9.404 -1.597 0.888 354 HB1 ALA 55 1HB ALA 55 -7.387 -0.085 -0.353 355 HB2 ALA 55 2HB ALA 55 -8.836 0.108 -1.341 356 HB3 ALA 55 3HB ALA 55 -8.883 0.498 0.378 357 H MET 56 H MET 56 -8.242 -2.317 -2.399 358 HA MET 56 HA MET 56 -10.695 -2.227 -3.711 359 HB2 MET 56 1HB MET 56 -8.294 -3.971 -4.290 360 HB3 MET 56 2HB MET 56 -9.634 -3.710 -5.399 361 HG2 MET 56 1HG MET 56 -9.058 -1.210 -5.148 362 HG3 MET 56 2HG MET 56 -7.522 -1.793 -4.511 363 HE1 MET 56 1HE MET 56 -5.426 -1.923 -6.453 364 HE2 MET 56 2HE MET 56 -6.030 -3.334 -5.584 365 HE3 MET 56 3HE MET 56 -5.732 -3.428 -7.321 366 H LYS 57 H LYS 57 -9.155 -4.862 -1.939 367 HA LYS 57 HA LYS 57 -10.991 -6.885 -2.638 368 HB2 LYS 57 1HB LYS 57 -8.963 -6.503 -0.487 369 HB3 LYS 57 2HB LYS 57 -10.157 -7.776 -0.273 370 HG2 LYS 57 1HG LYS 57 -9.490 -8.692 -2.485 371 HG3 LYS 57 2HG LYS 57 -8.201 -7.487 -2.541 372 HD2 LYS 57 1HD LYS 57 -8.490 -9.384 -0.230 373 HD3 LYS 57 2HD LYS 57 -7.609 -9.832 -1.692 374 HE2 LYS 57 1HE LYS 57 -6.060 -8.035 -1.388 375 HE3 LYS 57 2HE LYS 57 -7.019 -7.361 -0.071 376 HZ1 LYS 57 1HZ LYS 57 -5.781 -10.052 0.044 377 HZ2 LYS 57 2HZ LYS 57 -6.463 -9.173 1.318 378 HZ3 LYS 57 3HZ LYS 57 -5.012 -8.658 0.616 379 H ARG 58 H ARG 58 -10.833 -4.737 0.193 380 HA ARG 58 HA ARG 58 -12.898 -5.629 1.711 381 HB2 ARG 58 1HB ARG 58 -12.003 -2.830 1.080 382 HB3 ARG 58 2HB ARG 58 -13.349 -3.120 2.174 383 HG2 ARG 58 1HG ARG 58 -11.741 -4.653 3.445 384 HG3 ARG 58 2HG ARG 58 -10.469 -3.867 2.507 385 HD2 ARG 58 1HD ARG 58 -12.468 -2.484 4.293 386 HD3 ARG 58 2HD ARG 58 -10.776 -2.791 4.681 387 HE ARG 58 HE ARG 58 -10.800 -1.375 2.303 388 HH11 ARG 58 2HH1 ARG 58 -11.813 -0.884 5.597 389 HH12 ARG 58 1HH1 ARG 58 -11.576 0.831 5.552 390 HH21 ARG 58 2HH2 ARG 58 -10.483 0.883 2.231 391 HH22 ARG 58 1HH2 ARG 58 -10.820 1.835 3.636 392 H ARG 59 H ARG 59 -13.212 -3.423 -1.065 393 HA ARG 59 HA ARG 59 -15.999 -3.155 -0.974 394 HB2 ARG 59 1HB ARG 59 -14.189 -3.040 -3.394 395 HB3 ARG 59 2HB ARG 59 -15.826 -2.405 -3.303 396 HG2 ARG 59 1HG ARG 59 -15.058 -0.869 -1.500 397 HG3 ARG 59 2HG ARG 59 -13.412 -1.431 -1.797 398 HD2 ARG 59 1HD ARG 59 -13.562 -0.660 -4.110 399 HD3 ARG 59 2HD ARG 59 -15.215 -0.116 -3.826 400 HE ARG 59 HE ARG 59 -12.838 1.285 -3.179 401 HH11 ARG 59 2HH1 ARG 59 -16.065 0.655 -2.035 402 HH12 ARG 59 1HH1 ARG 59 -16.188 2.148 -1.164 403 HH21 ARG 59 2HH2 ARG 59 -12.987 3.254 -2.037 404 HH22 ARG 59 1HH2 ARG 59 -14.437 3.626 -1.167 405 H GLY 60 H GLY 60 -13.948 -5.643 -2.339 406 HA2 GLY 60 1HA GLY 60 -15.544 -6.943 -4.120 407 HA3 GLY 60 2HA GLY 60 -14.492 -7.788 -2.994 408 H SER 61 H SER 61 -17.715 -7.058 -3.861 409 HA SER 61 HA SER 61 -18.732 -9.020 -2.034 410 HB2 SER 61 1HB SER 61 -19.194 -6.100 -1.538 411 HB3 SER 61 2HB SER 61 -20.464 -7.258 -1.144 412 HG SER 61 HG SER 61 -18.935 -8.352 0.171 413 H ARG 62 H ARG 62 -21.048 -9.419 -2.356 414 HA ARG 62 HA ARG 62 -21.726 -9.443 -5.090 415 HB2 ARG 62 1HB ARG 62 -23.472 -9.915 -2.668 416 HB3 ARG 62 2HB ARG 62 -23.915 -10.308 -4.324 417 HG2 ARG 62 1HG ARG 62 -21.930 -11.825 -4.407 418 HG3 ARG 62 2HG ARG 62 -21.716 -11.534 -2.679 419 HD2 ARG 62 1HD ARG 62 -24.331 -12.493 -3.793 420 HD3 ARG 62 2HD ARG 62 -23.029 -13.619 -3.414 421 HE ARG 62 HE ARG 62 -24.690 -12.183 -1.542 422 HH11 ARG 62 2HH1 ARG 62 -21.710 -13.914 -2.035 423 HH12 ARG 62 1HH1 ARG 62 -21.514 -14.314 -0.360 424 HH21 ARG 62 2HH2 ARG 62 -24.443 -12.704 0.665 425 HH22 ARG 62 1HH2 ARG 62 -23.070 -13.626 1.174 426 H HIS 63 H HIS 63 -21.555 -7.210 -5.692 427 HA HIS 63 HA HIS 63 -24.080 -5.861 -5.620 428 HB2 HIS 63 1HB HIS 63 -21.729 -4.699 -4.125 429 HB3 HIS 63 2HB HIS 63 -23.083 -3.720 -4.681 430 HD1 HIS 63 1HD HIS 63 -21.963 -5.594 -1.835 431 HD2 HIS 63 2HD HIS 63 -25.652 -4.742 -3.545 432 HE1 HIS 63 1HE HIS 63 -23.658 -6.039 -0.032 433 HE2 HIS 63 2HE HIS 63 -25.889 -5.599 -1.116 434 H LYS 64 H LYS 64 -24.348 -4.693 -7.429 435 HA LYS 64 HA LYS 64 -22.179 -4.606 -9.335 436 HB2 LYS 64 1HB LYS 64 -24.757 -5.047 -9.713 437 HB3 LYS 64 2HB LYS 64 -24.815 -3.294 -9.839 438 HG2 LYS 64 1HG LYS 64 -22.821 -4.825 -11.445 439 HG3 LYS 64 2HG LYS 64 -24.505 -4.746 -11.970 440 HD2 LYS 64 1HD LYS 64 -23.089 -2.228 -11.216 441 HD3 LYS 64 2HD LYS 64 -22.766 -2.962 -12.789 442 HE2 LYS 64 1HE LYS 64 -25.499 -2.230 -11.742 443 HE3 LYS 64 2HE LYS 64 -24.553 -1.256 -12.865 444 HZ1 LYS 64 1HZ LYS 64 -26.275 -3.373 -13.451 445 HZ2 LYS 64 2HZ LYS 64 -24.712 -3.873 -13.859 446 HZ3 LYS 64 3HZ LYS 64 -25.347 -2.455 -14.528 447 H SER 65 H SER 65 -20.688 -3.071 -8.975 448 HA SER 65 HA SER 65 -21.645 -0.303 -8.655 449 HB2 SER 65 1HB SER 65 -19.297 -1.655 -7.317 450 HB3 SER 65 2HB SER 65 -19.490 0.097 -7.373 451 HG SER 65 HG SER 65 -21.361 -0.086 -6.185 452 H GLY 66 H GLY 66 -21.512 0.007 -10.914 453 HA2 GLY 66 1HA GLY 66 -20.213 1.208 -12.506 454 HA3 GLY 66 2HA GLY 66 -18.764 0.474 -11.833 455 HA PRO 67 HA PRO 67 -19.851 -1.701 -15.796 456 HB2 PRO 67 1HB PRO 67 -17.354 -1.549 -16.850 457 HB3 PRO 67 2HB PRO 67 -18.560 -0.271 -17.047 458 HG2 PRO 67 1HG PRO 67 -16.275 -0.438 -15.121 459 HG3 PRO 67 2HG PRO 67 -16.834 0.947 -16.077 460 HD2 PRO 67 1HD PRO 67 -17.441 0.646 -13.455 461 HD3 PRO 67 2HD PRO 67 -18.540 1.435 -14.605 462 H SER 68 H SER 68 -19.728 -3.858 -15.908 463 HA SER 68 HA SER 68 -18.486 -5.416 -13.962 464 HB2 SER 68 1HB SER 68 -19.046 -7.339 -15.362 465 HB3 SER 68 2HB SER 68 -20.381 -6.187 -15.357 466 HG SER 68 HG SER 68 -18.616 -6.870 -17.411 467 H SER 69 H SER 69 -16.750 -6.962 -14.161 468 HA SER 69 HA SER 69 -14.325 -5.924 -14.873 469 HB2 SER 69 1HB SER 69 -13.456 -8.244 -14.837 470 HB3 SER 69 2HB SER 69 -14.535 -7.918 -13.481 471 HG SER 69 HG SER 69 -14.754 -9.787 -15.385 472 H GLY 70 H GLY 70 -16.233 -8.220 -16.827 473 HA2 GLY 70 1HA GLY 70 -16.490 -7.739 -19.214 474 HA3 GLY 70 2HA GLY 70 -14.825 -7.175 -19.205 Start of MODEL 8 1 H1 GLY 1 H GLY 1 14.444 20.280 14.812 2 HA2 GLY 1 1HA GLY 1 13.802 22.632 13.729 3 HA3 GLY 1 2HA GLY 1 15.549 22.655 13.542 4 H SER 2 H SER 2 12.668 21.802 12.106 5 HA SER 2 HA SER 2 13.823 19.671 10.475 6 HB2 SER 2 1HB SER 2 11.014 20.802 10.452 7 HB3 SER 2 2HB SER 2 11.563 19.356 9.605 8 HG SER 2 HG SER 2 10.503 18.961 11.653 9 H SER 3 H SER 3 14.198 19.837 8.301 10 HA SER 3 HA SER 3 14.184 22.567 7.218 11 HB2 SER 3 1HB SER 3 15.890 21.774 5.644 12 HB3 SER 3 2HB SER 3 16.377 21.444 7.307 13 HG SER 3 HG SER 3 15.377 19.291 6.890 14 H GLY 4 H GLY 4 13.308 19.228 6.436 15 HA2 GLY 4 1HA GLY 4 11.117 20.109 4.810 16 HA3 GLY 4 2HA GLY 4 12.437 19.457 3.849 17 H SER 5 H SER 5 9.820 18.741 5.980 18 HA SER 5 HA SER 5 10.339 16.145 6.758 19 HB2 SER 5 1HB SER 5 7.639 17.175 5.862 20 HB3 SER 5 2HB SER 5 7.950 15.856 6.990 21 HG SER 5 HG SER 5 7.704 18.440 7.524 22 H SER 6 H SER 6 9.561 14.102 5.917 23 HA SER 6 HA SER 6 8.824 13.896 3.146 24 HB2 SER 6 1HB SER 6 11.540 12.873 4.009 25 HB3 SER 6 2HB SER 6 10.794 12.612 2.433 26 HG SER 6 HG SER 6 10.691 15.128 2.619 27 H GLY 7 H GLY 7 8.614 11.578 2.472 28 HA2 GLY 7 1HA GLY 7 8.804 9.298 3.822 29 HA3 GLY 7 2HA GLY 7 7.499 10.073 4.707 30 H TYR 8 H TYR 8 8.378 8.309 1.913 31 HA TYR 8 HA TYR 8 5.709 8.679 0.741 32 HB2 TYR 8 1HB TYR 8 8.362 7.874 -0.375 33 HB3 TYR 8 2HB TYR 8 6.901 7.294 -1.166 34 HD1 TYR 8 1HD TYR 8 8.655 10.385 -0.085 35 HD2 TYR 8 2HD TYR 8 5.706 8.682 -2.635 36 HE1 TYR 8 1HE TYR 8 8.465 12.524 -1.284 37 HE2 TYR 8 2HE TYR 8 5.508 10.816 -3.842 38 HH TYR 8 HH TYR 8 7.658 13.141 -3.831 39 H CYS 9 H CYS 9 8.021 5.969 0.856 40 HA CYS 9 HA CYS 9 6.287 3.888 0.583 41 HB2 CYS 9 1HB CYS 9 8.741 3.647 0.701 42 HB3 CYS 9 2HB CYS 9 8.679 3.943 2.435 43 H ILE 10 H ILE 10 5.491 2.310 2.198 44 HA ILE 10 HA ILE 10 3.676 3.437 3.963 45 HB ILE 10 HB ILE 10 3.641 1.120 5.044 46 HG12 ILE 10 1HG1 ILE 10 5.391 0.402 2.692 47 HG13 ILE 10 2HG1 ILE 10 6.033 0.642 4.314 48 HG21 ILE 10 1HG2 ILE 10 3.079 0.287 2.438 49 HG22 ILE 10 2HG2 ILE 10 1.956 0.986 3.603 50 HG23 ILE 10 3HG2 ILE 10 2.791 2.027 2.450 51 HD11 ILE 10 1HD1 ILE 10 5.474 -1.742 3.509 52 HD12 ILE 10 2HD1 ILE 10 5.003 -1.254 5.137 53 HD13 ILE 10 3HD1 ILE 10 3.804 -1.288 3.844 54 H CYS 11 H CYS 11 7.035 2.779 4.395 55 HA CYS 11 HA CYS 11 6.922 2.906 7.287 56 HB2 CYS 11 1HB CYS 11 9.382 2.717 7.157 57 HB3 CYS 11 2HB CYS 11 8.571 1.444 6.251 58 H ASN 12 H ASN 12 6.307 5.181 5.221 59 HA ASN 12 HA ASN 12 6.588 7.439 5.054 60 HB2 ASN 12 1HB ASN 12 6.986 7.025 8.022 61 HB3 ASN 12 2HB ASN 12 6.790 8.608 7.276 62 HD21 ASN 12 1HD2 ASN 12 4.817 9.380 7.297 63 HD22 ASN 12 2HD2 ASN 12 3.358 8.456 7.357 64 H GLN 13 H GLN 13 8.776 6.359 4.073 65 HA GLN 13 HA GLN 13 10.958 7.985 5.196 66 HB2 GLN 13 1HB GLN 13 11.112 5.177 4.097 67 HB3 GLN 13 2HB GLN 13 12.524 6.187 4.377 68 HG2 GLN 13 1HG GLN 13 10.650 5.826 6.638 69 HG3 GLN 13 2HG GLN 13 11.626 4.438 6.161 70 HE21 GLN 13 1HE2 GLN 13 11.953 7.910 6.805 71 HE22 GLN 13 2HE2 GLN 13 13.470 7.791 7.622 72 H VAL 14 H VAL 14 12.628 8.573 3.621 73 HA VAL 14 HA VAL 14 11.588 9.770 1.339 74 HB VAL 14 HB VAL 14 13.964 9.993 0.582 75 HG11 VAL 14 1HG1 VAL 14 14.567 11.546 2.270 76 HG12 VAL 14 2HG1 VAL 14 12.804 11.546 2.196 77 HG13 VAL 14 3HG1 VAL 14 13.634 10.685 3.493 78 HG21 VAL 14 1HG2 VAL 14 14.305 7.935 2.636 79 HG22 VAL 14 2HG2 VAL 14 15.321 8.336 1.251 80 HG23 VAL 14 3HG2 VAL 14 15.461 9.263 2.745 81 H SER 15 H SER 15 11.899 9.331 -0.901 82 HA SER 15 HA SER 15 11.550 6.543 -1.542 83 HB2 SER 15 1HB SER 15 11.195 7.371 -3.854 84 HB3 SER 15 2HB SER 15 10.181 8.210 -2.680 85 HG SER 15 HG SER 15 12.692 9.251 -3.423 86 H TYR 16 H TYR 16 13.586 5.655 -1.030 87 HA TYR 16 HA TYR 16 15.701 6.315 -2.974 88 HB2 TYR 16 1HB TYR 16 17.378 5.894 -1.333 89 HB3 TYR 16 2HB TYR 16 16.204 6.971 -0.585 90 HD1 TYR 16 2HD TYR 16 14.610 6.078 1.098 91 HD2 TYR 16 1HD TYR 16 17.768 3.702 -0.478 92 HE1 TYR 16 2HE TYR 16 14.348 4.501 2.967 93 HE2 TYR 16 1HE TYR 16 17.514 2.118 1.386 94 HH TYR 16 HH TYR 16 15.020 2.591 3.872 95 H GLY 17 H GLY 17 17.356 4.399 -3.041 96 HA2 GLY 17 1HA GLY 17 17.718 2.263 -3.804 97 HA3 GLY 17 2HA GLY 17 16.642 1.775 -2.503 98 H GLU 18 H GLU 18 16.433 0.124 -4.438 99 HA GLU 18 HA GLU 18 14.864 0.806 -6.668 100 HB2 GLU 18 1HB GLU 18 15.633 -1.714 -5.297 101 HB3 GLU 18 2HB GLU 18 14.243 -1.785 -6.371 102 HG2 GLU 18 1HG GLU 18 15.907 -0.525 -7.999 103 HG3 GLU 18 2HG GLU 18 17.104 -1.337 -6.992 104 H MET 19 H MET 19 12.905 1.682 -6.571 105 HA MET 19 HA MET 19 11.014 0.667 -4.552 106 HB2 MET 19 1HB MET 19 11.177 3.380 -5.870 107 HB3 MET 19 2HB MET 19 9.837 2.862 -4.856 108 HG2 MET 19 1HG MET 19 11.824 2.358 -3.168 109 HG3 MET 19 2HG MET 19 12.597 3.626 -4.117 110 HE1 MET 19 1HE MET 19 9.527 3.133 -1.315 111 HE2 MET 19 2HE MET 19 8.461 4.140 -2.295 112 HE3 MET 19 3HE MET 19 9.172 2.679 -2.982 113 H VAL 20 H VAL 20 8.969 0.064 -5.175 114 HA VAL 20 HA VAL 20 8.573 -0.236 -8.073 115 HB VAL 20 HB VAL 20 8.539 -2.358 -6.987 116 HG11 VAL 20 1HG1 VAL 20 7.093 -2.892 -5.112 117 HG12 VAL 20 2HG1 VAL 20 8.149 -1.539 -4.701 118 HG13 VAL 20 3HG1 VAL 20 6.457 -1.248 -5.107 119 HG21 VAL 20 1HG2 VAL 20 6.867 -2.929 -8.331 120 HG22 VAL 20 2HG2 VAL 20 5.717 -2.456 -7.080 121 HG23 VAL 20 3HG2 VAL 20 6.238 -1.282 -8.288 122 H GLY 21 H GLY 21 7.379 1.371 -8.883 123 HA2 GLY 21 1HA GLY 21 5.553 2.931 -7.387 124 HA3 GLY 21 2HA GLY 21 5.692 2.908 -9.139 125 H CYS 22 H CYS 22 3.616 2.387 -6.663 126 HA CYS 22 HA CYS 22 2.260 0.040 -7.217 127 HB2 CYS 22 1HB CYS 22 1.798 1.514 -5.280 128 HB3 CYS 22 2HB CYS 22 1.034 2.672 -6.364 129 H ASP 23 H ASP 23 0.922 -0.649 -8.775 130 HA ASP 23 HA ASP 23 0.768 0.609 -11.252 131 HB2 ASP 23 1HB ASP 23 0.354 -1.835 -10.747 132 HB3 ASP 23 2HB ASP 23 -1.255 -1.372 -10.200 133 H ASN 24 H ASN 24 -1.449 0.694 -8.514 134 HA ASN 24 HA ASN 24 -3.502 2.127 -9.886 135 HB2 ASN 24 1HB ASN 24 -3.765 0.694 -7.789 136 HB3 ASN 24 2HB ASN 24 -3.094 2.057 -6.897 137 HD21 ASN 24 1HD2 ASN 24 -5.014 2.287 -5.736 138 HD22 ASN 24 2HD2 ASN 24 -6.427 2.986 -6.445 139 H GLN 25 H GLN 25 -2.921 4.043 -10.750 140 HA GLN 25 HA GLN 25 -1.054 5.842 -9.698 141 HB2 GLN 25 1HB GLN 25 -3.331 6.164 -11.637 142 HB3 GLN 25 2HB GLN 25 -2.323 7.529 -11.174 143 HG2 GLN 25 1HG GLN 25 -1.069 5.017 -12.189 144 HG3 GLN 25 2HG GLN 25 -1.767 6.182 -13.313 145 HE21 GLN 25 1HE2 GLN 25 -0.819 8.202 -13.542 146 HE22 GLN 25 2HE2 GLN 25 0.774 8.544 -12.968 147 H ASP 26 H ASP 26 -4.229 5.141 -8.703 148 HA ASP 26 HA ASP 26 -4.840 7.703 -7.562 149 HB2 ASP 26 1HB ASP 26 -6.663 6.253 -8.213 150 HB3 ASP 26 2HB ASP 26 -6.074 4.972 -7.157 151 H CYS 27 H CYS 27 -2.728 5.267 -6.711 152 HA CYS 27 HA CYS 27 -3.008 5.142 -3.914 153 HB2 CYS 27 1HB CYS 27 -1.535 3.745 -5.601 154 HB3 CYS 27 2HB CYS 27 -0.310 4.940 -5.188 155 HA PRO 28 HA PRO 28 -1.630 9.163 -2.711 156 HB2 PRO 28 1HB PRO 28 -1.204 8.628 -0.084 157 HB3 PRO 28 2HB PRO 28 -2.819 8.813 -0.777 158 HG2 PRO 28 1HG PRO 28 -1.306 6.309 -0.144 159 HG3 PRO 28 2HG PRO 28 -3.015 6.687 0.143 160 HD2 PRO 28 1HD PRO 28 -2.188 5.176 -1.946 161 HD3 PRO 28 2HD PRO 28 -3.611 6.233 -2.036 162 H ILE 29 H ILE 29 0.251 6.287 -2.466 163 HA ILE 29 HA ILE 29 2.671 7.858 -1.882 164 HB ILE 29 HB ILE 29 2.401 4.857 -1.743 165 HG12 ILE 29 1HG1 ILE 29 2.326 6.815 0.560 166 HG13 ILE 29 2HG1 ILE 29 0.894 6.059 -0.132 167 HG21 ILE 29 1HG2 ILE 29 4.459 5.018 -0.409 168 HG22 ILE 29 2HG2 ILE 29 4.673 5.647 -2.041 169 HG23 ILE 29 3HG2 ILE 29 4.488 6.759 -0.686 170 HD11 ILE 29 1HD1 ILE 29 1.271 4.643 1.596 171 HD12 ILE 29 2HD1 ILE 29 2.272 3.859 0.373 172 HD13 ILE 29 3HD1 ILE 29 3.014 4.907 1.582 173 H GLU 30 H GLU 30 1.554 5.126 -3.883 174 HA GLU 30 HA GLU 30 2.148 4.420 -5.962 175 HB2 GLU 30 1HB GLU 30 3.179 7.238 -6.327 176 HB3 GLU 30 2HB GLU 30 2.789 6.094 -7.604 177 HG2 GLU 30 1HG GLU 30 0.423 6.103 -6.630 178 HG3 GLU 30 2HG GLU 30 0.932 7.551 -5.763 179 H TRP 31 H TRP 31 4.073 4.362 -3.683 180 HA TRP 31 HA TRP 31 6.316 3.370 -5.145 181 HB2 TRP 31 1HB TRP 31 6.663 5.900 -3.525 182 HB3 TRP 31 2HB TRP 31 7.996 4.892 -4.082 183 HD1 TRP 31 HD TRP 31 5.585 7.556 -5.245 184 HE1 TRP 31 1HE TRP 31 6.161 8.231 -7.661 185 HE3 TRP 31 3HE TRP 31 8.968 3.880 -6.330 186 HZ2 TRP 31 2HZ TRP 31 7.829 7.325 -9.751 187 HZ3 TRP 31 3HZ TRP 31 10.008 3.855 -8.560 188 HH2 TRP 31 HH TRP 31 9.448 5.542 -10.234 189 H PHE 32 H PHE 32 7.194 1.744 -4.029 190 HA PHE 32 HA PHE 32 7.156 1.788 -1.112 191 HB2 PHE 32 1HB PHE 32 5.977 -0.486 -2.723 192 HB3 PHE 32 2HB PHE 32 6.182 -0.463 -0.974 193 HD1 PHE 32 1HD PHE 32 4.492 1.336 -3.751 194 HD2 PHE 32 2HD PHE 32 4.490 0.344 0.388 195 HE1 PHE 32 1HE PHE 32 2.269 2.362 -3.510 196 HE2 PHE 32 2HE PHE 32 2.266 1.368 0.636 197 HZ PHE 32 HZ PHE 32 1.152 2.378 -1.314 198 H HIS 33 H HIS 33 8.795 0.627 -0.165 199 HA HIS 33 HA HIS 33 11.047 0.022 -1.803 200 HB2 HIS 33 1HB HIS 33 10.616 -0.603 1.126 201 HB3 HIS 33 2HB HIS 33 12.162 -0.577 0.282 202 HD2 HIS 33 2HD HIS 33 11.387 2.407 -1.222 203 HE1 HIS 33 1HE HIS 33 11.639 3.738 2.798 204 HE2 HIS 33 2HE HIS 33 11.551 4.432 0.379 205 H TYR 34 H TYR 34 12.033 -1.963 -2.203 206 HA TYR 34 HA TYR 34 10.293 -4.133 -2.679 207 HB2 TYR 34 1HB TYR 34 13.276 -3.791 -2.792 208 HB3 TYR 34 2HB TYR 34 12.546 -5.373 -3.040 209 HD1 TYR 34 2HD TYR 34 11.298 -2.046 -4.144 210 HD2 TYR 34 1HD TYR 34 12.919 -5.805 -5.306 211 HE1 TYR 34 2HE TYR 34 10.894 -1.484 -6.504 212 HE2 TYR 34 1HE TYR 34 12.520 -5.252 -7.670 213 HH TYR 34 HH TYR 34 11.596 -2.082 -8.685 214 H GLY 35 H GLY 35 12.510 -3.378 -0.062 215 HA2 GLY 35 1HA GLY 35 12.326 -5.975 1.157 216 HA3 GLY 35 2HA GLY 35 13.050 -4.538 1.865 217 H CYS 36 H CYS 36 10.567 -2.974 1.404 218 HA CYS 36 HA CYS 36 9.302 -3.600 3.896 219 HB2 CYS 36 1HB CYS 36 8.933 -1.492 1.797 220 HB3 CYS 36 2HB CYS 36 7.702 -1.712 3.037 221 H VAL 37 H VAL 37 8.461 -3.928 0.489 222 HA VAL 37 HA VAL 37 5.856 -5.052 1.164 223 HB VAL 37 HB VAL 37 5.444 -5.107 -1.243 224 HG11 VAL 37 1HG1 VAL 37 5.648 -2.645 -1.686 225 HG12 VAL 37 2HG1 VAL 37 4.873 -3.065 -0.157 226 HG13 VAL 37 3HG1 VAL 37 6.550 -2.517 -0.176 227 HG21 VAL 37 1HG2 VAL 37 7.630 -3.625 -2.254 228 HG22 VAL 37 2HG2 VAL 37 8.289 -5.009 -1.382 229 HG23 VAL 37 3HG2 VAL 37 7.127 -5.260 -2.684 230 H GLY 38 H GLY 38 9.037 -6.067 0.294 231 HA2 GLY 38 1HA GLY 38 9.869 -8.245 0.500 232 HA3 GLY 38 2HA GLY 38 8.218 -8.846 0.554 233 H LEU 39 H LEU 39 10.574 -7.376 -1.664 234 HA LEU 39 HA LEU 39 9.646 -9.224 -3.741 235 HB2 LEU 39 1HB LEU 39 9.850 -6.241 -3.938 236 HB3 LEU 39 2HB LEU 39 10.021 -7.256 -5.368 237 HG LEU 39 HG LEU 39 7.590 -7.212 -3.582 238 HD11 LEU 39 1HD1 LEU 39 8.175 -5.801 -6.174 239 HD12 LEU 39 2HD1 LEU 39 7.716 -5.085 -4.630 240 HD13 LEU 39 3HD1 LEU 39 6.547 -6.042 -5.540 241 HD21 LEU 39 1HD2 LEU 39 8.482 -9.031 -5.570 242 HD22 LEU 39 2HD2 LEU 39 7.096 -8.150 -6.215 243 HD23 LEU 39 3HD2 LEU 39 6.954 -9.024 -4.689 244 H THR 40 H THR 40 11.375 -10.441 -4.124 245 HA THR 40 HA THR 40 14.048 -9.598 -3.680 246 HB THR 40 HB THR 40 14.720 -11.718 -4.681 247 HG1 THR 40 1HG THR 40 12.005 -12.297 -5.231 248 HG21 THR 40 1HG2 THR 40 12.697 -13.059 -3.338 249 HG22 THR 40 2HG2 THR 40 12.752 -11.477 -2.561 250 HG23 THR 40 3HG2 THR 40 14.206 -12.472 -2.641 251 H GLU 41 H GLU 41 12.027 -9.863 -6.560 252 HA GLU 41 HA GLU 41 13.947 -8.189 -7.995 253 HB2 GLU 41 1HB GLU 41 14.047 -9.579 -9.909 254 HB3 GLU 41 2HB GLU 41 14.349 -10.632 -8.534 255 HG2 GLU 41 1HG GLU 41 11.609 -10.335 -9.705 256 HG3 GLU 41 2HG GLU 41 12.785 -11.467 -10.371 257 H ALA 42 H ALA 42 12.995 -7.378 -10.086 258 HA ALA 42 HA ALA 42 10.592 -6.050 -9.619 259 HB1 ALA 42 1HB ALA 42 12.426 -5.500 -11.305 260 HB2 ALA 42 2HB ALA 42 11.616 -6.641 -12.379 261 HB3 ALA 42 3HB ALA 42 10.758 -5.212 -11.802 262 HA PRO 43 HA PRO 43 7.608 -9.240 -10.366 263 HB2 PRO 43 1HB PRO 43 5.417 -7.638 -10.390 264 HB3 PRO 43 2HB PRO 43 6.258 -8.093 -8.904 265 HG2 PRO 43 1HG PRO 43 6.458 -5.566 -10.496 266 HG3 PRO 43 2HG PRO 43 6.365 -5.776 -8.738 267 HD2 PRO 43 1HD PRO 43 8.699 -5.304 -10.028 268 HD3 PRO 43 2HD PRO 43 8.605 -6.291 -8.555 269 H LYS 44 H LYS 44 7.706 -10.077 -12.376 270 HA LYS 44 HA LYS 44 7.753 -8.775 -14.796 271 HB2 LYS 44 1HB LYS 44 6.821 -11.502 -13.975 272 HB3 LYS 44 2HB LYS 44 6.610 -10.977 -15.640 273 HG2 LYS 44 1HG LYS 44 9.276 -10.833 -14.280 274 HG3 LYS 44 2HG LYS 44 8.706 -12.312 -15.058 275 HD2 LYS 44 1HD LYS 44 8.228 -10.646 -17.057 276 HD3 LYS 44 2HD LYS 44 9.493 -9.707 -16.261 277 HE2 LYS 44 1HE LYS 44 10.539 -11.092 -17.898 278 HE3 LYS 44 2HE LYS 44 10.929 -11.752 -16.310 279 HZ1 LYS 44 1HZ LYS 44 10.330 -13.627 -17.447 280 HZ2 LYS 44 2HZ LYS 44 9.168 -12.840 -18.391 281 HZ3 LYS 44 3HZ LYS 44 8.837 -13.204 -16.772 282 H GLY 45 H GLY 45 4.863 -10.160 -13.222 283 HA2 GLY 45 1HA GLY 45 3.095 -8.951 -15.144 284 HA3 GLY 45 2HA GLY 45 2.622 -9.833 -13.699 285 H LYS 46 H LYS 46 1.028 -8.306 -13.192 286 HA LYS 46 HA LYS 46 1.888 -5.575 -12.631 287 HB2 LYS 46 1HB LYS 46 -0.814 -6.914 -12.682 288 HB3 LYS 46 2HB LYS 46 -0.585 -5.269 -12.104 289 HG2 LYS 46 1HG LYS 46 0.483 -5.966 -14.785 290 HG3 LYS 46 2HG LYS 46 -1.263 -5.788 -14.598 291 HD2 LYS 46 1HD LYS 46 -0.954 -3.549 -13.691 292 HD3 LYS 46 2HD LYS 46 0.798 -3.727 -13.812 293 HE2 LYS 46 1HE LYS 46 0.271 -2.523 -15.722 294 HE3 LYS 46 2HE LYS 46 0.341 -4.182 -16.315 295 HZ1 LYS 46 1HZ LYS 46 -2.267 -3.459 -15.390 296 HZ2 LYS 46 2HZ LYS 46 -1.797 -4.127 -16.871 297 HZ3 LYS 46 3HZ LYS 46 -1.736 -2.452 -16.641 298 H TRP 47 H TRP 47 2.248 -4.797 -10.644 299 HA TRP 47 HA TRP 47 1.603 -6.541 -8.357 300 HB2 TRP 47 1HB TRP 47 4.004 -6.377 -8.670 301 HB3 TRP 47 2HB TRP 47 3.911 -4.619 -8.715 302 HD1 TRP 47 HD TRP 47 3.899 -7.557 -6.292 303 HE1 TRP 47 1HE TRP 47 4.166 -6.661 -3.894 304 HE3 TRP 47 3HE TRP 47 3.414 -2.557 -7.237 305 HZ2 TRP 47 2HZ TRP 47 4.169 -4.164 -2.578 306 HZ3 TRP 47 3HZ TRP 47 3.561 -0.981 -5.353 307 HH2 TRP 47 HH TRP 47 3.930 -1.770 -3.073 308 H TYR 48 H TYR 48 0.378 -5.734 -6.765 309 HA TYR 48 HA TYR 48 -0.184 -2.841 -6.799 310 HB2 TYR 48 1HB TYR 48 -2.047 -5.139 -6.179 311 HB3 TYR 48 2HB TYR 48 -2.443 -3.449 -5.887 312 HD1 TYR 48 1HD TYR 48 -2.896 -1.938 -7.740 313 HD2 TYR 48 2HD TYR 48 -1.968 -6.032 -8.434 314 HE1 TYR 48 1HE TYR 48 -3.716 -1.726 -10.049 315 HE2 TYR 48 2HE TYR 48 -2.784 -5.831 -10.745 316 HH TYR 48 HH TYR 48 -4.703 -3.819 -11.849 317 H CYS 49 H CYS 49 0.524 -1.825 -5.056 318 HA CYS 49 HA CYS 49 1.777 -2.881 -2.884 319 HB2 CYS 49 1HB CYS 49 1.613 -0.780 -1.852 320 HB3 CYS 49 2HB CYS 49 1.488 -0.416 -3.571 321 HA PRO 50 HA PRO 50 -1.143 -4.794 -0.225 322 HB2 PRO 50 1HB PRO 50 -0.140 -4.181 2.222 323 HB3 PRO 50 2HB PRO 50 0.624 -5.347 1.135 324 HG2 PRO 50 1HG PRO 50 1.317 -2.475 1.622 325 HG3 PRO 50 2HG PRO 50 2.395 -3.874 1.459 326 HD2 PRO 50 1HD PRO 50 1.954 -2.131 -0.566 327 HD3 PRO 50 2HD PRO 50 2.278 -3.854 -0.843 328 H GLN 51 H GLN 51 -0.728 -1.411 -0.229 329 HA GLN 51 HA GLN 51 -2.709 -0.833 1.784 330 HB2 GLN 51 1HB GLN 51 -0.938 0.736 0.000 331 HB3 GLN 51 2HB GLN 51 -2.440 1.511 0.486 332 HG2 GLN 51 1HG GLN 51 -1.651 0.678 2.876 333 HG3 GLN 51 2HG GLN 51 -0.071 0.773 2.101 334 HE21 GLN 51 1HE2 GLN 51 -0.331 2.927 0.480 335 HE22 GLN 51 2HE2 GLN 51 -0.597 4.354 1.418 336 H CYS 52 H CYS 52 -2.602 -1.220 -1.679 337 HA CYS 52 HA CYS 52 -5.291 -0.174 -2.029 338 HB2 CYS 52 1HB CYS 52 -3.215 -1.266 -3.921 339 HB3 CYS 52 2HB CYS 52 -4.863 -0.936 -4.444 340 H THR 53 H THR 53 -3.628 -3.262 -2.678 341 HA THR 53 HA THR 53 -5.734 -4.829 -3.417 342 HB THR 53 HB THR 53 -3.492 -5.678 -1.572 343 HG1 THR 53 1HG THR 53 -2.484 -6.278 -3.551 344 HG21 THR 53 1HG2 THR 53 -5.070 -7.395 -3.480 345 HG22 THR 53 2HG2 THR 53 -5.482 -7.232 -1.773 346 HG23 THR 53 3HG2 THR 53 -3.925 -7.913 -2.244 347 H ALA 54 H ALA 54 -4.932 -3.734 -0.182 348 HA ALA 54 HA ALA 54 -6.742 -5.437 1.199 349 HB1 ALA 54 1HB ALA 54 -5.256 -4.648 2.705 350 HB2 ALA 54 2HB ALA 54 -5.062 -3.106 1.871 351 HB3 ALA 54 3HB ALA 54 -6.466 -3.380 2.903 352 H ALA 55 H ALA 55 -6.991 -2.208 -0.189 353 HA ALA 55 HA ALA 55 -9.607 -1.707 0.881 354 HB1 ALA 55 1HB ALA 55 -8.969 0.363 0.400 355 HB2 ALA 55 2HB ALA 55 -7.610 -0.229 -0.557 356 HB3 ALA 55 3HB ALA 55 -9.190 -0.011 -1.310 357 H MET 56 H MET 56 -8.310 -2.657 -2.283 358 HA MET 56 HA MET 56 -10.777 -2.680 -3.647 359 HB2 MET 56 1HB MET 56 -8.274 -4.281 -4.206 360 HB3 MET 56 2HB MET 56 -9.607 -4.049 -5.328 361 HG2 MET 56 1HG MET 56 -9.160 -1.579 -5.176 362 HG3 MET 56 2HG MET 56 -7.686 -1.984 -4.298 363 HE1 MET 56 1HE MET 56 -5.777 -2.828 -5.015 364 HE2 MET 56 2HE MET 56 -5.952 -4.261 -6.028 365 HE3 MET 56 3HE MET 56 -5.169 -2.817 -6.671 366 H LYS 57 H LYS 57 -9.136 -5.056 -1.665 367 HA LYS 57 HA LYS 57 -10.756 -7.275 -2.386 368 HB2 LYS 57 1HB LYS 57 -8.814 -6.665 -0.207 369 HB3 LYS 57 2HB LYS 57 -9.901 -8.030 0.015 370 HG2 LYS 57 1HG LYS 57 -9.064 -8.661 -2.398 371 HG3 LYS 57 2HG LYS 57 -7.686 -7.661 -1.931 372 HD2 LYS 57 1HD LYS 57 -7.518 -9.046 0.159 373 HD3 LYS 57 2HD LYS 57 -8.732 -10.122 -0.538 374 HE2 LYS 57 1HE LYS 57 -6.143 -9.428 -1.912 375 HE3 LYS 57 2HE LYS 57 -6.334 -10.827 -0.857 376 HZ1 LYS 57 1HZ LYS 57 -7.614 -11.908 -2.364 377 HZ2 LYS 57 2HZ LYS 57 -6.706 -10.978 -3.446 378 HZ3 LYS 57 3HZ LYS 57 -8.270 -10.493 -3.020 379 H ARG 58 H ARG 58 -10.968 -4.804 0.116 380 HA ARG 58 HA ARG 58 -13.081 -5.970 1.583 381 HB2 ARG 58 1HB ARG 58 -11.998 -3.179 1.345 382 HB3 ARG 58 2HB ARG 58 -13.453 -3.497 2.280 383 HG2 ARG 58 1HG ARG 58 -12.046 -5.261 3.500 384 HG3 ARG 58 2HG ARG 58 -10.658 -4.446 2.777 385 HD2 ARG 58 1HD ARG 58 -11.124 -2.431 3.900 386 HD3 ARG 58 2HD ARG 58 -12.753 -2.953 4.326 387 HE ARG 58 HE ARG 58 -10.804 -4.667 5.471 388 HH11 ARG 58 2HH1 ARG 58 -12.264 -1.526 5.813 389 HH12 ARG 58 1HH1 ARG 58 -11.976 -1.433 7.519 390 HH21 ARG 58 2HH2 ARG 58 -10.419 -4.558 7.717 391 HH22 ARG 58 1HH2 ARG 58 -10.925 -3.158 8.601 392 H ARG 59 H ARG 59 -13.228 -3.124 -0.568 393 HA ARG 59 HA ARG 59 -16.008 -3.036 -0.761 394 HB2 ARG 59 1HB ARG 59 -15.687 -1.583 -2.674 395 HB3 ARG 59 2HB ARG 59 -14.502 -1.196 -1.434 396 HG2 ARG 59 1HG ARG 59 -13.190 -1.165 -3.303 397 HG3 ARG 59 2HG ARG 59 -12.990 -2.843 -2.796 398 HD2 ARG 59 1HD ARG 59 -14.563 -3.600 -4.417 399 HD3 ARG 59 2HD ARG 59 -15.060 -1.951 -4.792 400 HE ARG 59 HE ARG 59 -12.733 -3.337 -5.783 401 HH11 ARG 59 2HH1 ARG 59 -14.242 -0.249 -5.231 402 HH12 ARG 59 1HH1 ARG 59 -13.305 0.571 -6.435 403 HH21 ARG 59 2HH2 ARG 59 -11.493 -2.269 -7.371 404 HH22 ARG 59 1HH2 ARG 59 -11.742 -0.579 -7.653 405 H GLY 60 H GLY 60 -13.701 -5.069 -2.356 406 HA2 GLY 60 1HA GLY 60 -14.903 -5.824 -4.688 407 HA3 GLY 60 2HA GLY 60 -14.037 -6.946 -3.650 408 H SER 61 H SER 61 -17.054 -6.050 -4.926 409 HA SER 61 HA SER 61 -18.307 -8.352 -3.718 410 HB2 SER 61 1HB SER 61 -19.396 -5.576 -3.188 411 HB3 SER 61 2HB SER 61 -20.231 -7.082 -2.809 412 HG SER 61 HG SER 61 -18.150 -7.530 -1.593 413 H ARG 62 H ARG 62 -19.820 -9.219 -5.029 414 HA ARG 62 HA ARG 62 -20.022 -8.468 -7.691 415 HB2 ARG 62 1HB ARG 62 -21.625 -10.248 -5.907 416 HB3 ARG 62 2HB ARG 62 -22.255 -9.870 -7.505 417 HG2 ARG 62 1HG ARG 62 -19.501 -10.985 -7.047 418 HG3 ARG 62 2HG ARG 62 -20.924 -11.991 -7.325 419 HD2 ARG 62 1HD ARG 62 -20.271 -9.782 -9.227 420 HD3 ARG 62 2HD ARG 62 -19.388 -11.305 -9.321 421 HE ARG 62 HE ARG 62 -22.117 -11.890 -9.252 422 HH11 ARG 62 2HH1 ARG 62 -19.801 -10.349 -11.345 423 HH12 ARG 62 1HH1 ARG 62 -20.659 -10.739 -12.799 424 HH21 ARG 62 2HH2 ARG 62 -23.256 -12.410 -11.158 425 HH22 ARG 62 1HH2 ARG 62 -22.625 -11.911 -12.691 426 H HIS 63 H HIS 63 -22.531 -8.075 -5.182 427 HA HIS 63 HA HIS 63 -23.728 -5.953 -6.829 428 HB2 HIS 63 1HB HIS 63 -24.927 -7.635 -4.619 429 HB3 HIS 63 2HB HIS 63 -25.767 -6.322 -5.439 430 HD1 HIS 63 1HD HIS 63 -25.368 -9.871 -5.562 431 HD2 HIS 63 2HD HIS 63 -25.891 -6.874 -8.392 432 HE1 HIS 63 1HE HIS 63 -26.176 -11.039 -7.637 433 HE2 HIS 63 2HE HIS 63 -26.404 -9.217 -9.361 434 H LYS 64 H LYS 64 -23.659 -3.909 -6.159 435 HA LYS 64 HA LYS 64 -22.986 -3.385 -3.338 436 HB2 LYS 64 1HB LYS 64 -21.051 -2.915 -4.737 437 HB3 LYS 64 2HB LYS 64 -22.027 -1.899 -5.791 438 HG2 LYS 64 1HG LYS 64 -22.414 -0.364 -3.897 439 HG3 LYS 64 2HG LYS 64 -21.344 -1.360 -2.908 440 HD2 LYS 64 1HD LYS 64 -19.503 -0.924 -4.455 441 HD3 LYS 64 2HD LYS 64 -20.573 0.055 -5.461 442 HE2 LYS 64 1HE LYS 64 -19.366 1.590 -4.146 443 HE3 LYS 64 2HE LYS 64 -20.960 1.484 -3.401 444 HZ1 LYS 64 1HZ LYS 64 -20.008 0.886 -1.512 445 HZ2 LYS 64 2HZ LYS 64 -18.477 1.021 -2.218 446 HZ3 LYS 64 3HZ LYS 64 -19.296 -0.459 -2.251 447 H SER 65 H SER 65 -25.179 -3.091 -2.815 448 HA SER 65 HA SER 65 -26.197 -0.458 -3.541 449 HB2 SER 65 1HB SER 65 -27.742 -3.024 -3.959 450 HB3 SER 65 2HB SER 65 -28.498 -1.432 -3.913 451 HG SER 65 HG SER 65 -26.488 -2.288 -5.728 452 H GLY 66 H GLY 66 -28.280 -0.016 -2.220 453 HA2 GLY 66 1HA GLY 66 -29.407 -0.921 -0.119 454 HA3 GLY 66 2HA GLY 66 -27.771 -0.992 0.518 455 HA PRO 67 HA PRO 67 -29.880 3.281 1.035 456 HB2 PRO 67 1HB PRO 67 -30.832 3.024 3.565 457 HB3 PRO 67 2HB PRO 67 -31.794 2.639 2.133 458 HG2 PRO 67 1HG PRO 67 -30.289 0.801 3.954 459 HG3 PRO 67 2HG PRO 67 -31.908 0.606 3.256 460 HD2 PRO 67 1HD PRO 67 -29.725 -0.633 2.241 461 HD3 PRO 67 2HD PRO 67 -31.084 -0.108 1.226 462 H SER 68 H SER 68 -28.284 4.657 1.467 463 HA SER 68 HA SER 68 -26.156 3.961 3.287 464 HB2 SER 68 1HB SER 68 -26.666 6.153 1.328 465 HB3 SER 68 2HB SER 68 -25.505 6.453 2.621 466 HG SER 68 HG SER 68 -24.335 5.563 1.002 467 H SER 69 H SER 69 -28.470 4.053 4.718 468 HA SER 69 HA SER 69 -28.986 6.587 5.900 469 HB2 SER 69 1HB SER 69 -30.575 4.623 5.864 470 HB3 SER 69 2HB SER 69 -29.572 3.877 7.108 471 HG SER 69 HG SER 69 -31.529 5.488 7.533 472 H GLY 70 H GLY 70 -28.559 7.209 8.108 473 HA2 GLY 70 1HA GLY 70 -27.212 6.299 10.131 474 HA3 GLY 70 2HA GLY 70 -25.897 6.306 8.965 Start of MODEL 9 1 H1 GLY 1 H GLY 1 19.489 4.380 10.160 2 HA2 GLY 1 1HA GLY 1 19.086 5.926 8.462 3 HA3 GLY 1 2HA GLY 1 17.487 5.230 8.242 4 H SER 2 H SER 2 18.611 8.050 8.656 5 HA SER 2 HA SER 2 17.432 8.925 11.126 6 HB2 SER 2 1HB SER 2 18.150 11.113 10.514 7 HB3 SER 2 2HB SER 2 19.413 10.015 9.960 8 HG SER 2 HG SER 2 19.099 10.863 8.074 9 H SER 3 H SER 3 15.820 10.767 11.089 10 HA SER 3 HA SER 3 13.813 10.393 8.972 11 HB2 SER 3 1HB SER 3 13.502 10.048 11.913 12 HB3 SER 3 2HB SER 3 12.177 10.822 11.044 13 HG SER 3 HG SER 3 13.317 8.283 10.481 14 H GLY 4 H GLY 4 12.733 12.208 8.327 15 HA2 GLY 4 1HA GLY 4 13.347 14.709 9.771 16 HA3 GLY 4 2HA GLY 4 13.516 14.605 8.025 17 H SER 5 H SER 5 11.956 15.832 7.188 18 HA SER 5 HA SER 5 9.223 15.499 8.240 19 HB2 SER 5 1HB SER 5 10.120 17.776 8.554 20 HB3 SER 5 2HB SER 5 10.405 17.899 6.818 21 HG SER 5 HG SER 5 8.338 18.765 7.812 22 H SER 6 H SER 6 10.219 13.675 6.399 23 HA SER 6 HA SER 6 8.352 14.071 4.222 24 HB2 SER 6 1HB SER 6 11.306 14.161 3.855 25 HB3 SER 6 2HB SER 6 10.366 13.275 2.653 26 HG SER 6 HG SER 6 9.820 15.125 1.849 27 H GLY 7 H GLY 7 7.912 12.125 3.038 28 HA2 GLY 7 1HA GLY 7 9.157 9.657 3.480 29 HA3 GLY 7 2HA GLY 7 7.856 9.816 4.650 30 H TYR 8 H TYR 8 8.277 8.028 2.268 31 HA TYR 8 HA TYR 8 5.704 8.608 0.955 32 HB2 TYR 8 1HB TYR 8 8.337 7.865 -0.238 33 HB3 TYR 8 2HB TYR 8 6.875 7.244 -0.995 34 HD1 TYR 8 1HD TYR 8 8.590 10.371 0.028 35 HD2 TYR 8 2HD TYR 8 5.572 8.611 -2.401 36 HE1 TYR 8 1HE TYR 8 8.305 12.508 -1.156 37 HE2 TYR 8 2HE TYR 8 5.280 10.743 -3.593 38 HH TYR 8 HH TYR 8 7.474 13.295 -3.359 39 H CYS 9 H CYS 9 8.030 5.908 0.959 40 HA CYS 9 HA CYS 9 6.319 3.818 0.685 41 HB2 CYS 9 1HB CYS 9 8.778 3.602 0.793 42 HB3 CYS 9 2HB CYS 9 8.715 3.867 2.532 43 H ILE 10 H ILE 10 5.544 2.210 2.281 44 HA ILE 10 HA ILE 10 3.738 3.313 4.081 45 HB ILE 10 HB ILE 10 3.670 0.974 5.093 46 HG12 ILE 10 1HG1 ILE 10 5.405 0.256 2.735 47 HG13 ILE 10 2HG1 ILE 10 6.078 0.514 4.341 48 HG21 ILE 10 1HG2 ILE 10 1.997 0.893 3.634 49 HG22 ILE 10 2HG2 ILE 10 2.857 1.944 2.510 50 HG23 ILE 10 3HG2 ILE 10 3.123 0.201 2.466 51 HD11 ILE 10 1HD1 ILE 10 5.696 -1.851 3.853 52 HD12 ILE 10 2HD1 ILE 10 4.732 -1.293 5.220 53 HD13 ILE 10 3HD1 ILE 10 3.977 -1.523 3.643 54 H CYS 11 H CYS 11 7.095 2.744 4.441 55 HA CYS 11 HA CYS 11 7.012 2.740 7.346 56 HB2 CYS 11 1HB CYS 11 9.465 2.548 7.193 57 HB3 CYS 11 2HB CYS 11 8.652 1.313 6.237 58 H ASN 12 H ASN 12 6.385 5.071 5.337 59 HA ASN 12 HA ASN 12 6.638 7.335 5.250 60 HB2 ASN 12 1HB ASN 12 6.974 6.710 8.171 61 HB3 ASN 12 2HB ASN 12 7.075 8.370 7.589 62 HD21 ASN 12 1HD2 ASN 12 5.026 5.696 8.262 63 HD22 ASN 12 2HD2 ASN 12 3.523 6.487 7.944 64 H GLN 13 H GLN 13 8.812 6.238 4.199 65 HA GLN 13 HA GLN 13 11.018 7.860 5.281 66 HB2 GLN 13 1HB GLN 13 11.176 5.092 4.081 67 HB3 GLN 13 2HB GLN 13 12.575 6.099 4.431 68 HG2 GLN 13 1HG GLN 13 10.656 5.573 6.631 69 HG3 GLN 13 2HG GLN 13 11.712 4.259 6.114 70 HE21 GLN 13 1HE2 GLN 13 11.726 7.629 7.164 71 HE22 GLN 13 2HE2 GLN 13 13.273 7.571 7.931 72 H VAL 14 H VAL 14 12.604 8.550 3.693 73 HA VAL 14 HA VAL 14 11.479 9.733 1.440 74 HB VAL 14 HB VAL 14 13.859 10.034 0.657 75 HG11 VAL 14 1HG1 VAL 14 12.853 11.746 1.974 76 HG12 VAL 14 2HG1 VAL 14 13.085 10.823 3.459 77 HG13 VAL 14 3HG1 VAL 14 14.479 11.485 2.604 78 HG21 VAL 14 1HG2 VAL 14 15.279 9.413 2.959 79 HG22 VAL 14 2HG2 VAL 14 14.268 7.996 2.674 80 HG23 VAL 14 3HG2 VAL 14 15.359 8.568 1.413 81 H SER 15 H SER 15 11.839 9.346 -0.817 82 HA SER 15 HA SER 15 11.595 6.552 -1.492 83 HB2 SER 15 1HB SER 15 11.164 7.375 -3.776 84 HB3 SER 15 2HB SER 15 10.160 8.210 -2.592 85 HG SER 15 HG SER 15 11.063 9.711 -4.003 86 H TYR 16 H TYR 16 13.591 5.614 -1.151 87 HA TYR 16 HA TYR 16 15.697 6.443 -3.033 88 HB2 TYR 16 1HB TYR 16 17.401 6.002 -1.408 89 HB3 TYR 16 2HB TYR 16 16.219 7.066 -0.653 90 HD1 TYR 16 2HD TYR 16 14.674 6.185 1.059 91 HD2 TYR 16 1HD TYR 16 17.768 3.779 -0.595 92 HE1 TYR 16 2HE TYR 16 14.427 4.597 2.922 93 HE2 TYR 16 1HE TYR 16 17.529 2.184 1.262 94 HH TYR 16 HH TYR 16 16.683 2.258 3.655 95 H GLY 17 H GLY 17 17.427 4.573 -3.120 96 HA2 GLY 17 1HA GLY 17 17.854 2.471 -3.941 97 HA3 GLY 17 2HA GLY 17 16.785 1.918 -2.661 98 H GLU 18 H GLU 18 16.348 0.226 -4.318 99 HA GLU 18 HA GLU 18 14.871 0.929 -6.662 100 HB2 GLU 18 1HB GLU 18 15.650 -1.599 -5.297 101 HB3 GLU 18 2HB GLU 18 14.293 -1.662 -6.413 102 HG2 GLU 18 1HG GLU 18 15.992 -0.374 -7.977 103 HG3 GLU 18 2HG GLU 18 17.169 -1.182 -6.942 104 H MET 19 H MET 19 12.888 1.742 -6.583 105 HA MET 19 HA MET 19 11.024 0.696 -4.554 106 HB2 MET 19 1HB MET 19 11.123 3.422 -5.854 107 HB3 MET 19 2HB MET 19 9.816 2.871 -4.814 108 HG2 MET 19 1HG MET 19 11.827 2.402 -3.160 109 HG3 MET 19 2HG MET 19 12.587 3.662 -4.129 110 HE1 MET 19 1HE MET 19 9.160 2.742 -2.903 111 HE2 MET 19 2HE MET 19 9.662 3.132 -1.258 112 HE3 MET 19 3HE MET 19 8.524 4.181 -2.105 113 H VAL 20 H VAL 20 8.996 0.050 -5.179 114 HA VAL 20 HA VAL 20 8.585 -0.198 -8.080 115 HB VAL 20 HB VAL 20 8.610 -2.353 -7.111 116 HG11 VAL 20 1HG1 VAL 20 6.693 -1.310 -5.028 117 HG12 VAL 20 2HG1 VAL 20 7.236 -2.983 -5.175 118 HG13 VAL 20 3HG1 VAL 20 8.392 -1.711 -4.776 119 HG21 VAL 20 1HG2 VAL 20 5.671 -2.026 -7.071 120 HG22 VAL 20 2HG2 VAL 20 6.507 -1.500 -8.532 121 HG23 VAL 20 3HG2 VAL 20 6.675 -3.163 -7.971 122 H GLY 21 H GLY 21 7.367 1.440 -8.803 123 HA2 GLY 21 1HA GLY 21 5.515 2.905 -7.276 124 HA3 GLY 21 2HA GLY 21 5.600 2.887 -9.031 125 H CYS 22 H CYS 22 3.476 2.554 -6.700 126 HA CYS 22 HA CYS 22 2.203 0.081 -7.180 127 HB2 CYS 22 1HB CYS 22 1.767 1.416 -5.170 128 HB3 CYS 22 2HB CYS 22 1.036 2.678 -6.157 129 H ASP 23 H ASP 23 1.277 -0.574 -8.993 130 HA ASP 23 HA ASP 23 0.880 0.752 -11.309 131 HB2 ASP 23 1HB ASP 23 0.505 -1.690 -10.950 132 HB3 ASP 23 2HB ASP 23 -1.060 -1.305 -10.237 133 H ASN 24 H ASN 24 -1.333 0.715 -8.560 134 HA ASN 24 HA ASN 24 -3.400 2.182 -9.857 135 HB2 ASN 24 1HB ASN 24 -3.602 0.694 -7.781 136 HB3 ASN 24 2HB ASN 24 -2.961 2.063 -6.877 137 HD21 ASN 24 1HD2 ASN 24 -4.891 2.197 -5.702 138 HD22 ASN 24 2HD2 ASN 24 -6.322 2.877 -6.390 139 H GLN 25 H GLN 25 -2.845 4.123 -10.683 140 HA GLN 25 HA GLN 25 -0.978 5.910 -9.613 141 HB2 GLN 25 1HB GLN 25 -3.253 6.207 -11.546 142 HB3 GLN 25 2HB GLN 25 -2.349 7.620 -11.019 143 HG2 GLN 25 1HG GLN 25 -1.178 7.099 -12.889 144 HG3 GLN 25 2HG GLN 25 -0.288 6.133 -11.713 145 HE21 GLN 25 1HE2 GLN 25 -3.361 5.680 -13.429 146 HE22 GLN 25 2HE2 GLN 25 -2.958 4.137 -14.094 147 H ASP 26 H ASP 26 -4.193 5.214 -8.668 148 HA ASP 26 HA ASP 26 -4.772 7.726 -7.427 149 HB2 ASP 26 1HB ASP 26 -6.026 5.009 -6.977 150 HB3 ASP 26 2HB ASP 26 -6.681 6.547 -6.423 151 H CYS 27 H CYS 27 -2.635 5.305 -6.666 152 HA CYS 27 HA CYS 27 -2.915 5.049 -3.879 153 HB2 CYS 27 1HB CYS 27 -1.436 3.718 -5.567 154 HB3 CYS 27 2HB CYS 27 -0.235 4.960 -5.228 155 HA PRO 28 HA PRO 28 -1.640 9.050 -2.504 156 HB2 PRO 28 1HB PRO 28 -1.234 8.418 0.105 157 HB3 PRO 28 2HB PRO 28 -2.845 8.600 -0.600 158 HG2 PRO 28 1HG PRO 28 -1.290 6.102 -0.049 159 HG3 PRO 28 2HG PRO 28 -3.009 6.435 0.232 160 HD2 PRO 28 1HD PRO 28 -2.128 5.025 -1.906 161 HD3 PRO 28 2HD PRO 28 -3.571 6.057 -1.971 162 H ILE 29 H ILE 29 0.299 6.218 -2.410 163 HA ILE 29 HA ILE 29 2.681 7.822 -1.752 164 HB ILE 29 HB ILE 29 2.506 4.815 -1.636 165 HG12 ILE 29 1HG1 ILE 29 2.372 6.637 0.759 166 HG13 ILE 29 2HG1 ILE 29 0.914 6.093 -0.064 167 HG21 ILE 29 1HG2 ILE 29 4.749 5.713 -1.843 168 HG22 ILE 29 2HG2 ILE 29 4.465 6.794 -0.480 169 HG23 ILE 29 3HG2 ILE 29 4.507 5.049 -0.228 170 HD11 ILE 29 1HD1 ILE 29 1.486 4.739 1.908 171 HD12 ILE 29 2HD1 ILE 29 1.449 3.799 0.417 172 HD13 ILE 29 3HD1 ILE 29 2.994 4.273 1.122 173 H GLU 30 H GLU 30 1.545 5.151 -3.812 174 HA GLU 30 HA GLU 30 2.182 4.440 -5.878 175 HB2 GLU 30 1HB GLU 30 3.352 7.162 -6.379 176 HB3 GLU 30 2HB GLU 30 2.570 6.075 -7.518 177 HG2 GLU 30 1HG GLU 30 0.424 6.466 -6.359 178 HG3 GLU 30 2HG GLU 30 1.235 7.635 -5.318 179 H TRP 31 H TRP 31 4.098 4.378 -3.590 180 HA TRP 31 HA TRP 31 6.360 3.429 -5.058 181 HB2 TRP 31 1HB TRP 31 6.668 5.927 -3.382 182 HB3 TRP 31 2HB TRP 31 8.016 4.945 -3.948 183 HD1 TRP 31 HD TRP 31 5.658 7.661 -5.045 184 HE1 TRP 31 1HE TRP 31 6.222 8.372 -7.454 185 HE3 TRP 31 3HE TRP 31 8.920 3.915 -6.254 186 HZ2 TRP 31 2HZ TRP 31 7.835 7.464 -9.585 187 HZ3 TRP 31 3HZ TRP 31 9.929 3.909 -8.498 188 HH2 TRP 31 HH TRP 31 9.396 5.647 -10.128 189 H PHE 32 H PHE 32 7.199 1.765 -3.978 190 HA PHE 32 HA PHE 32 7.168 1.755 -1.060 191 HB2 PHE 32 1HB PHE 32 5.989 -0.490 -2.711 192 HB3 PHE 32 2HB PHE 32 6.180 -0.487 -0.961 193 HD1 PHE 32 1HD PHE 32 4.539 1.391 -3.718 194 HD2 PHE 32 2HD PHE 32 4.457 0.265 0.385 195 HE1 PHE 32 1HE PHE 32 2.316 2.420 -3.484 196 HE2 PHE 32 2HE PHE 32 2.234 1.291 0.626 197 HZ PHE 32 HZ PHE 32 1.160 2.370 -1.310 198 H HIS 33 H HIS 33 8.815 0.594 -0.139 199 HA HIS 33 HA HIS 33 11.064 0.011 -1.781 200 HB2 HIS 33 1HB HIS 33 10.598 -0.651 1.134 201 HB3 HIS 33 2HB HIS 33 12.152 -0.683 0.306 202 HD2 HIS 33 2HD HIS 33 11.538 2.334 -1.189 203 HE1 HIS 33 1HE HIS 33 11.759 3.638 2.842 204 HE2 HIS 33 2HE HIS 33 11.754 4.344 0.425 205 H TYR 34 H TYR 34 12.095 -1.988 -2.134 206 HA TYR 34 HA TYR 34 10.339 -4.137 -2.707 207 HB2 TYR 34 1HB TYR 34 13.322 -3.792 -2.793 208 HB3 TYR 34 2HB TYR 34 12.595 -5.370 -3.076 209 HD1 TYR 34 2HD TYR 34 11.194 -2.102 -4.120 210 HD2 TYR 34 1HD TYR 34 13.139 -5.680 -5.353 211 HE1 TYR 34 2HE TYR 34 10.804 -1.497 -6.471 212 HE2 TYR 34 1HE TYR 34 12.755 -5.084 -7.708 213 HH TYR 34 HH TYR 34 11.121 -2.055 -8.593 214 H GLY 35 H GLY 35 12.471 -3.401 -0.030 215 HA2 GLY 35 1HA GLY 35 12.282 -6.040 1.125 216 HA3 GLY 35 2HA GLY 35 13.028 -4.628 1.859 217 H CYS 36 H CYS 36 10.577 -3.012 1.430 218 HA CYS 36 HA CYS 36 9.294 -3.670 3.905 219 HB2 CYS 36 1HB CYS 36 8.941 -1.513 1.847 220 HB3 CYS 36 2HB CYS 36 7.743 -1.728 3.119 221 H VAL 37 H VAL 37 8.535 -4.030 0.501 222 HA VAL 37 HA VAL 37 5.878 -5.075 1.137 223 HB VAL 37 HB VAL 37 5.452 -5.053 -1.253 224 HG11 VAL 37 1HG1 VAL 37 5.016 -2.994 -0.109 225 HG12 VAL 37 2HG1 VAL 37 6.712 -2.519 -0.216 226 HG13 VAL 37 3HG1 VAL 37 5.728 -2.613 -1.677 227 HG21 VAL 37 1HG2 VAL 37 7.342 -3.875 -2.644 228 HG22 VAL 37 2HG2 VAL 37 8.387 -4.551 -1.395 229 HG23 VAL 37 3HG2 VAL 37 7.377 -5.617 -2.371 230 H GLY 38 H GLY 38 9.049 -6.123 0.288 231 HA2 GLY 38 1HA GLY 38 9.843 -8.318 0.458 232 HA3 GLY 38 2HA GLY 38 8.183 -8.893 0.477 233 H LEU 39 H LEU 39 10.652 -7.498 -1.653 234 HA LEU 39 HA LEU 39 9.734 -9.278 -3.780 235 HB2 LEU 39 1HB LEU 39 9.910 -6.289 -3.952 236 HB3 LEU 39 2HB LEU 39 10.071 -7.301 -5.386 237 HG LEU 39 HG LEU 39 7.657 -7.290 -3.578 238 HD11 LEU 39 1HD1 LEU 39 8.465 -5.507 -5.750 239 HD12 LEU 39 2HD1 LEU 39 7.232 -5.300 -4.506 240 HD13 LEU 39 3HD1 LEU 39 6.867 -6.225 -5.963 241 HD21 LEU 39 1HD2 LEU 39 6.606 -8.429 -5.511 242 HD22 LEU 39 2HD2 LEU 39 7.904 -9.366 -4.770 243 HD23 LEU 39 3HD2 LEU 39 8.190 -8.508 -6.285 244 H THR 40 H THR 40 11.460 -10.425 -4.317 245 HA THR 40 HA THR 40 14.125 -9.595 -3.763 246 HB THR 40 HB THR 40 14.829 -11.648 -4.864 247 HG1 THR 40 1HG THR 40 13.140 -12.982 -5.818 248 HG21 THR 40 1HG2 THR 40 12.807 -13.098 -3.660 249 HG22 THR 40 2HG2 THR 40 12.781 -11.560 -2.798 250 HG23 THR 40 3HG2 THR 40 14.269 -12.504 -2.873 251 H GLU 41 H GLU 41 12.089 -9.568 -6.621 252 HA GLU 41 HA GLU 41 13.991 -7.809 -7.939 253 HB2 GLU 41 1HB GLU 41 14.319 -9.085 -9.866 254 HB3 GLU 41 2HB GLU 41 14.458 -10.265 -8.571 255 HG2 GLU 41 1HG GLU 41 11.868 -10.538 -9.046 256 HG3 GLU 41 2HG GLU 41 12.356 -9.945 -10.633 257 H ALA 42 H ALA 42 12.970 -7.323 -10.276 258 HA ALA 42 HA ALA 42 10.560 -5.947 -9.766 259 HB1 ALA 42 1HB ALA 42 11.429 -6.570 -12.552 260 HB2 ALA 42 2HB ALA 42 10.760 -5.079 -11.888 261 HB3 ALA 42 3HB ALA 42 12.430 -5.528 -11.540 262 HA PRO 43 HA PRO 43 7.675 -9.260 -10.373 263 HB2 PRO 43 1HB PRO 43 5.431 -7.733 -10.370 264 HB3 PRO 43 2HB PRO 43 6.321 -8.134 -8.897 265 HG2 PRO 43 1HG PRO 43 6.399 -5.629 -10.534 266 HG3 PRO 43 2HG PRO 43 6.354 -5.812 -8.771 267 HD2 PRO 43 1HD PRO 43 8.640 -5.285 -10.124 268 HD3 PRO 43 2HD PRO 43 8.613 -6.249 -8.634 269 H LYS 44 H LYS 44 7.597 -10.178 -12.329 270 HA LYS 44 HA LYS 44 7.651 -8.978 -14.797 271 HB2 LYS 44 1HB LYS 44 6.552 -11.608 -13.860 272 HB3 LYS 44 2HB LYS 44 6.385 -11.132 -15.545 273 HG2 LYS 44 1HG LYS 44 8.331 -12.309 -15.649 274 HG3 LYS 44 2HG LYS 44 8.968 -10.692 -15.336 275 HD2 LYS 44 1HD LYS 44 9.223 -11.185 -12.998 276 HD3 LYS 44 2HD LYS 44 8.406 -12.738 -13.192 277 HE2 LYS 44 1HE LYS 44 10.769 -13.129 -13.072 278 HE3 LYS 44 2HE LYS 44 10.234 -13.441 -14.723 279 HZ1 LYS 44 1HZ LYS 44 12.022 -12.157 -15.170 280 HZ2 LYS 44 2HZ LYS 44 11.959 -11.327 -13.698 281 HZ3 LYS 44 3HZ LYS 44 10.906 -10.904 -14.952 282 H GLY 45 H GLY 45 4.697 -10.266 -13.250 283 HA2 GLY 45 1HA GLY 45 2.988 -8.934 -15.127 284 HA3 GLY 45 2HA GLY 45 2.478 -9.804 -13.687 285 H LYS 46 H LYS 46 0.933 -8.139 -13.303 286 HA LYS 46 HA LYS 46 1.909 -5.472 -12.708 287 HB2 LYS 46 1HB LYS 46 -0.818 -6.744 -12.741 288 HB3 LYS 46 2HB LYS 46 -0.564 -5.139 -12.069 289 HG2 LYS 46 1HG LYS 46 0.389 -5.770 -14.828 290 HG3 LYS 46 2HG LYS 46 -1.312 -5.400 -14.535 291 HD2 LYS 46 1HD LYS 46 -0.587 -3.282 -14.907 292 HD3 LYS 46 2HD LYS 46 -0.196 -3.375 -13.188 293 HE2 LYS 46 1HE LYS 46 2.073 -3.698 -13.598 294 HE3 LYS 46 2HE LYS 46 1.797 -4.221 -15.258 295 HZ1 LYS 46 1HZ LYS 46 2.619 -2.086 -15.489 296 HZ2 LYS 46 2HZ LYS 46 1.766 -1.485 -14.157 297 HZ3 LYS 46 3HZ LYS 46 0.948 -1.841 -15.595 298 H TRP 47 H TRP 47 2.192 -4.606 -10.721 299 HA TRP 47 HA TRP 47 1.660 -6.359 -8.412 300 HB2 TRP 47 1HB TRP 47 4.053 -6.136 -8.790 301 HB3 TRP 47 2HB TRP 47 3.912 -4.380 -8.815 302 HD1 TRP 47 HD TRP 47 4.053 -7.339 -6.426 303 HE1 TRP 47 1HE TRP 47 4.338 -6.459 -4.024 304 HE3 TRP 47 3HE TRP 47 3.361 -2.350 -7.301 305 HZ2 TRP 47 2HZ TRP 47 4.277 -3.978 -2.678 306 HZ3 TRP 47 3HZ TRP 47 3.489 -0.790 -5.402 307 HH2 TRP 47 HH TRP 47 3.938 -1.590 -3.139 308 H TYR 48 H TYR 48 0.698 -5.494 -6.620 309 HA TYR 48 HA TYR 48 0.040 -2.630 -6.681 310 HB2 TYR 48 1HB TYR 48 -1.879 -4.896 -6.110 311 HB3 TYR 48 2HB TYR 48 -2.242 -3.193 -5.852 312 HD1 TYR 48 2HD TYR 48 -1.729 -5.814 -8.362 313 HD2 TYR 48 1HD TYR 48 -2.663 -1.712 -7.724 314 HE1 TYR 48 2HE TYR 48 -2.491 -5.631 -10.693 315 HE2 TYR 48 1HE TYR 48 -3.430 -1.519 -10.053 316 HH TYR 48 HH TYR 48 -3.359 -2.546 -12.106 317 H CYS 49 H CYS 49 0.583 -1.638 -4.862 318 HA CYS 49 HA CYS 49 1.858 -2.772 -2.720 319 HB2 CYS 49 1HB CYS 49 1.638 -0.712 -1.604 320 HB3 CYS 49 2HB CYS 49 1.574 -0.291 -3.312 321 HA PRO 50 HA PRO 50 -1.089 -4.816 -0.191 322 HB2 PRO 50 1HB PRO 50 -0.117 -4.307 2.292 323 HB3 PRO 50 2HB PRO 50 0.663 -5.422 1.164 324 HG2 PRO 50 1HG PRO 50 1.341 -2.573 1.786 325 HG3 PRO 50 2HG PRO 50 2.425 -3.961 1.574 326 HD2 PRO 50 1HD PRO 50 2.002 -2.131 -0.377 327 HD3 PRO 50 2HD PRO 50 2.336 -3.840 -0.726 328 H GLN 51 H GLN 51 -0.693 -1.436 -0.052 329 HA GLN 51 HA GLN 51 -2.696 -0.951 1.966 330 HB2 GLN 51 1HB GLN 51 -0.940 0.714 0.241 331 HB3 GLN 51 2HB GLN 51 -2.431 1.450 0.812 332 HG2 GLN 51 1HG GLN 51 -1.785 0.943 3.121 333 HG3 GLN 51 2HG GLN 51 -0.277 0.243 2.533 334 HE21 GLN 51 1HE2 GLN 51 -2.021 3.173 1.582 335 HE22 GLN 51 2HE2 GLN 51 -0.726 4.265 1.920 336 H CYS 52 H CYS 52 -2.546 -1.179 -1.512 337 HA CYS 52 HA CYS 52 -5.233 -0.128 -1.850 338 HB2 CYS 52 1HB CYS 52 -3.120 -1.126 -3.747 339 HB3 CYS 52 2HB CYS 52 -4.767 -0.826 -4.290 340 H THR 53 H THR 53 -3.579 -3.181 -2.675 341 HA THR 53 HA THR 53 -5.682 -4.711 -3.465 342 HB THR 53 HB THR 53 -3.460 -5.669 -1.650 343 HG1 THR 53 1HG THR 53 -3.139 -4.558 -3.907 344 HG21 THR 53 1HG2 THR 53 -4.832 -7.319 -3.739 345 HG22 THR 53 2HG2 THR 53 -5.550 -7.144 -2.137 346 HG23 THR 53 3HG2 THR 53 -3.939 -7.840 -2.311 347 H ALA 54 H ALA 54 -4.929 -3.697 -0.207 348 HA ALA 54 HA ALA 54 -6.750 -5.483 1.088 349 HB1 ALA 54 1HB ALA 54 -5.027 -3.223 1.901 350 HB2 ALA 54 2HB ALA 54 -6.422 -3.567 2.925 351 HB3 ALA 54 3HB ALA 54 -5.221 -4.822 2.621 352 H ALA 55 H ALA 55 -6.902 -2.148 -0.058 353 HA ALA 55 HA ALA 55 -9.500 -1.643 1.034 354 HB1 ALA 55 1HB ALA 55 -8.566 -0.015 -1.245 355 HB2 ALA 55 2HB ALA 55 -9.219 0.481 0.317 356 HB3 ALA 55 3HB ALA 55 -7.535 -0.025 0.186 357 H MET 56 H MET 56 -8.254 -2.430 -2.197 358 HA MET 56 HA MET 56 -10.698 -2.294 -3.566 359 HB2 MET 56 1HB MET 56 -8.245 -3.966 -4.131 360 HB3 MET 56 2HB MET 56 -9.583 -3.757 -5.253 361 HG2 MET 56 1HG MET 56 -9.120 -1.251 -5.046 362 HG3 MET 56 2HG MET 56 -7.589 -1.730 -4.317 363 HE1 MET 56 1HE MET 56 -5.490 -2.043 -5.701 364 HE2 MET 56 2HE MET 56 -6.089 -3.697 -5.580 365 HE3 MET 56 3HE MET 56 -5.488 -3.087 -7.123 366 H LYS 57 H LYS 57 -9.162 -4.912 -1.776 367 HA LYS 57 HA LYS 57 -10.915 -6.976 -2.551 368 HB2 LYS 57 1HB LYS 57 -8.974 -6.545 -0.340 369 HB3 LYS 57 2HB LYS 57 -10.164 -7.822 -0.127 370 HG2 LYS 57 1HG LYS 57 -9.388 -8.556 -2.504 371 HG3 LYS 57 2HG LYS 57 -7.954 -7.604 -2.115 372 HD2 LYS 57 1HD LYS 57 -8.943 -9.554 -0.097 373 HD3 LYS 57 2HD LYS 57 -8.113 -10.177 -1.525 374 HE2 LYS 57 1HE LYS 57 -6.900 -7.927 0.017 375 HE3 LYS 57 2HE LYS 57 -6.770 -9.571 0.640 376 HZ1 LYS 57 1HZ LYS 57 -4.941 -8.659 -0.908 377 HZ2 LYS 57 2HZ LYS 57 -6.037 -8.993 -2.153 378 HZ3 LYS 57 3HZ LYS 57 -5.498 -10.240 -1.144 379 H ARG 58 H ARG 58 -10.946 -4.815 0.273 380 HA ARG 58 HA ARG 58 -13.094 -5.796 1.656 381 HB2 ARG 58 1HB ARG 58 -12.151 -2.973 1.216 382 HB3 ARG 58 2HB ARG 58 -13.538 -3.322 2.239 383 HG2 ARG 58 1HG ARG 58 -11.984 -4.922 3.489 384 HG3 ARG 58 2HG ARG 58 -10.673 -4.100 2.640 385 HD2 ARG 58 1HD ARG 58 -11.879 -1.944 3.527 386 HD3 ARG 58 2HD ARG 58 -12.543 -3.061 4.718 387 HE ARG 58 HE ARG 58 -9.815 -2.139 4.525 388 HH11 ARG 58 2HH1 ARG 58 -11.969 -4.567 5.784 389 HH12 ARG 58 1HH1 ARG 58 -10.900 -5.039 7.063 390 HH21 ARG 58 2HH2 ARG 58 -8.399 -2.751 6.205 391 HH22 ARG 58 1HH2 ARG 58 -8.870 -4.005 7.302 392 H ARG 59 H ARG 59 -13.264 -3.304 -0.893 393 HA ARG 59 HA ARG 59 -16.073 -3.186 -0.979 394 HB2 ARG 59 1HB ARG 59 -15.792 -1.994 -3.080 395 HB3 ARG 59 2HB ARG 59 -14.606 -1.438 -1.907 396 HG2 ARG 59 1HG ARG 59 -12.843 -2.474 -3.009 397 HG3 ARG 59 2HG ARG 59 -13.912 -3.564 -3.893 398 HD2 ARG 59 1HD ARG 59 -13.162 -1.953 -5.456 399 HD3 ARG 59 2HD ARG 59 -14.827 -1.528 -5.063 400 HE ARG 59 HE ARG 59 -13.424 -0.020 -3.336 401 HH11 ARG 59 2HH1 ARG 59 -13.161 -0.516 -6.772 402 HH12 ARG 59 1HH1 ARG 59 -12.543 1.073 -7.085 403 HH21 ARG 59 2HH2 ARG 59 -12.612 2.074 -3.735 404 HH22 ARG 59 1HH2 ARG 59 -12.230 2.544 -5.357 405 H GLY 60 H GLY 60 -13.751 -5.276 -2.562 406 HA2 GLY 60 1HA GLY 60 -15.376 -6.330 -4.586 407 HA3 GLY 60 2HA GLY 60 -14.016 -7.160 -3.845 408 H SER 61 H SER 61 -14.410 -8.890 -2.608 409 HA SER 61 HA SER 61 -16.718 -9.256 -1.026 410 HB2 SER 61 1HB SER 61 -17.882 -9.566 -3.133 411 HB3 SER 61 2HB SER 61 -16.677 -10.739 -3.665 412 HG SER 61 HG SER 61 -18.196 -12.024 -2.864 413 H ARG 62 H ARG 62 -15.907 -10.380 0.603 414 HA ARG 62 HA ARG 62 -13.571 -12.016 0.305 415 HB2 ARG 62 1HB ARG 62 -15.333 -11.211 2.585 416 HB3 ARG 62 2HB ARG 62 -14.229 -12.564 2.792 417 HG2 ARG 62 1HG ARG 62 -12.411 -10.970 1.956 418 HG3 ARG 62 2HG ARG 62 -13.587 -9.689 2.256 419 HD2 ARG 62 1HD ARG 62 -13.805 -10.558 4.594 420 HD3 ARG 62 2HD ARG 62 -12.462 -11.647 4.250 421 HE ARG 62 HE ARG 62 -11.017 -9.875 4.432 422 HH11 ARG 62 2HH1 ARG 62 -14.280 -8.686 4.188 423 HH12 ARG 62 1HH1 ARG 62 -13.849 -7.048 4.555 424 HH21 ARG 62 2HH2 ARG 62 -10.437 -7.723 4.915 425 HH22 ARG 62 1HH2 ARG 62 -11.663 -6.501 4.967 426 H HIS 63 H HIS 63 -16.904 -12.703 1.377 427 HA HIS 63 HA HIS 63 -18.196 -14.570 1.211 428 HB2 HIS 63 1HB HIS 63 -17.356 -14.441 -1.199 429 HB3 HIS 63 2HB HIS 63 -16.187 -15.678 -0.746 430 HD1 HIS 63 1HD HIS 63 -17.200 -17.465 -2.269 431 HD2 HIS 63 2HD HIS 63 -19.885 -15.925 0.502 432 HE1 HIS 63 1HE HIS 63 -19.198 -18.990 -2.349 433 HE2 HIS 63 2HE HIS 63 -20.844 -17.990 -0.727 434 H LYS 64 H LYS 64 -16.356 -14.429 3.287 435 HA LYS 64 HA LYS 64 -15.072 -17.029 3.505 436 HB2 LYS 64 1HB LYS 64 -14.166 -16.201 5.601 437 HB3 LYS 64 2HB LYS 64 -13.920 -15.009 4.332 438 HG2 LYS 64 1HG LYS 64 -15.549 -13.578 5.193 439 HG3 LYS 64 2HG LYS 64 -16.271 -14.850 6.181 440 HD2 LYS 64 1HD LYS 64 -13.456 -13.899 6.627 441 HD3 LYS 64 2HD LYS 64 -14.840 -13.094 7.371 442 HE2 LYS 64 1HE LYS 64 -14.495 -16.055 7.627 443 HE3 LYS 64 2HE LYS 64 -13.587 -14.963 8.671 444 HZ1 LYS 64 1HZ LYS 64 -16.398 -14.355 8.495 445 HZ2 LYS 64 2HZ LYS 64 -15.399 -14.472 9.855 446 HZ3 LYS 64 3HZ LYS 64 -16.071 -15.869 9.177 447 H SER 65 H SER 65 -15.411 -18.347 5.469 448 HA SER 65 HA SER 65 -17.861 -19.407 5.738 449 HB2 SER 65 1HB SER 65 -15.591 -19.968 6.951 450 HB3 SER 65 2HB SER 65 -16.311 -19.053 8.276 451 HG SER 65 HG SER 65 -17.220 -21.436 7.069 452 H GLY 66 H GLY 66 -19.807 -18.856 6.495 453 HA2 GLY 66 1HA GLY 66 -19.984 -16.408 8.142 454 HA3 GLY 66 2HA GLY 66 -21.180 -16.858 6.935 455 HA PRO 67 HA PRO 67 -23.368 -18.381 10.500 456 HB2 PRO 67 1HB PRO 67 -25.580 -19.177 9.141 457 HB3 PRO 67 2HB PRO 67 -25.253 -17.486 9.538 458 HG2 PRO 67 1HG PRO 67 -24.796 -18.951 6.968 459 HG3 PRO 67 2HG PRO 67 -25.460 -17.327 7.227 460 HD2 PRO 67 1HD PRO 67 -22.892 -17.748 6.479 461 HD3 PRO 67 2HD PRO 67 -23.376 -16.382 7.505 462 H SER 68 H SER 68 -21.981 -20.156 10.930 463 HA SER 68 HA SER 68 -21.630 -22.467 9.513 464 HB2 SER 68 1HB SER 68 -20.688 -21.716 11.838 465 HB3 SER 68 2HB SER 68 -22.040 -22.649 12.480 466 HG SER 68 HG SER 68 -20.253 -23.730 10.578 467 H SER 69 H SER 69 -24.179 -21.897 11.936 468 HA SER 69 HA SER 69 -25.649 -24.186 10.812 469 HB2 SER 69 1HB SER 69 -26.827 -24.319 12.944 470 HB3 SER 69 2HB SER 69 -25.086 -24.345 13.224 471 HG SER 69 HG SER 69 -25.323 -22.001 13.566 472 H GLY 70 H GLY 70 -27.477 -23.830 9.732 473 HA2 GLY 70 1HA GLY 70 -29.048 -21.426 10.290 474 HA3 GLY 70 2HA GLY 70 -28.426 -21.619 8.658 Start of MODEL 10 1 H1 GLY 1 H GLY 1 1.495 20.791 16.705 2 HA2 GLY 1 1HA GLY 1 0.934 21.343 14.426 3 HA3 GLY 1 2HA GLY 1 2.217 22.544 14.450 4 H SER 2 H SER 2 1.740 20.359 12.559 5 HA SER 2 HA SER 2 4.110 18.687 13.034 6 HB2 SER 2 1HB SER 2 1.856 17.605 12.561 7 HB3 SER 2 2HB SER 2 1.995 18.243 10.923 8 HG SER 2 HG SER 2 3.182 16.572 10.515 9 H SER 3 H SER 3 5.642 20.248 12.405 10 HA SER 3 HA SER 3 5.808 21.933 10.346 11 HB2 SER 3 1HB SER 3 7.659 21.103 11.994 12 HB3 SER 3 2HB SER 3 8.103 20.024 10.672 13 HG SER 3 HG SER 3 9.175 21.696 9.983 14 H GLY 4 H GLY 4 6.770 18.514 9.945 15 HA2 GLY 4 1HA GLY 4 5.643 17.368 8.013 16 HA3 GLY 4 2HA GLY 4 6.093 18.789 7.082 17 H SER 5 H SER 5 6.814 15.760 7.162 18 HA SER 5 HA SER 5 9.680 16.209 6.695 19 HB2 SER 5 1HB SER 5 8.536 13.779 8.091 20 HB3 SER 5 2HB SER 5 10.239 14.093 7.759 21 HG SER 5 HG SER 5 10.157 14.926 9.700 22 H SER 6 H SER 6 10.672 14.462 5.371 23 HA SER 6 HA SER 6 8.930 13.862 3.139 24 HB2 SER 6 1HB SER 6 11.877 13.271 3.511 25 HB3 SER 6 2HB SER 6 10.976 13.146 1.999 26 HG SER 6 HG SER 6 11.510 15.493 3.501 27 H GLY 7 H GLY 7 7.913 11.997 2.828 28 HA2 GLY 7 1HA GLY 7 9.069 9.469 3.494 29 HA3 GLY 7 2HA GLY 7 7.801 9.916 4.626 30 H TYR 8 H TYR 8 8.455 8.332 1.783 31 HA TYR 8 HA TYR 8 5.729 8.690 0.747 32 HB2 TYR 8 1HB TYR 8 8.319 7.861 -0.495 33 HB3 TYR 8 2HB TYR 8 6.815 7.287 -1.205 34 HD1 TYR 8 1HD TYR 8 8.833 10.274 -0.453 35 HD2 TYR 8 2HD TYR 8 5.368 8.770 -2.412 36 HE1 TYR 8 1HE TYR 8 8.598 12.404 -1.659 37 HE2 TYR 8 2HE TYR 8 5.124 10.896 -3.625 38 HH TYR 8 HH TYR 8 7.481 13.108 -3.950 39 H CYS 9 H CYS 9 8.057 5.989 0.828 40 HA CYS 9 HA CYS 9 6.325 3.895 0.643 41 HB2 CYS 9 1HB CYS 9 8.778 3.660 0.690 42 HB3 CYS 9 2HB CYS 9 8.773 4.001 2.417 43 H ILE 10 H ILE 10 5.591 2.341 2.313 44 HA ILE 10 HA ILE 10 3.821 3.495 4.109 45 HB ILE 10 HB ILE 10 3.843 1.193 5.237 46 HG12 ILE 10 1HG1 ILE 10 5.471 0.430 2.815 47 HG13 ILE 10 2HG1 ILE 10 6.209 0.729 4.385 48 HG21 ILE 10 1HG2 ILE 10 2.755 2.124 2.810 49 HG22 ILE 10 2HG2 ILE 10 3.246 0.452 2.544 50 HG23 ILE 10 3HG2 ILE 10 2.139 0.848 3.859 51 HD11 ILE 10 1HD1 ILE 10 5.727 -1.674 3.803 52 HD12 ILE 10 2HD1 ILE 10 5.109 -1.111 5.356 53 HD13 ILE 10 3HD1 ILE 10 4.017 -1.280 3.982 54 H CYS 11 H CYS 11 7.187 2.726 4.490 55 HA CYS 11 HA CYS 11 7.160 2.945 7.366 56 HB2 CYS 11 1HB CYS 11 9.610 2.746 7.176 57 HB3 CYS 11 2HB CYS 11 8.780 1.473 6.286 58 H ASN 12 H ASN 12 6.492 5.193 5.280 59 HA ASN 12 HA ASN 12 6.768 7.450 5.076 60 HB2 ASN 12 1HB ASN 12 5.856 7.088 7.455 61 HB3 ASN 12 2HB ASN 12 7.495 7.431 8.000 62 HD21 ASN 12 1HD2 ASN 12 4.534 8.734 7.112 63 HD22 ASN 12 2HD2 ASN 12 5.000 10.396 7.032 64 H GLN 13 H GLN 13 8.951 6.307 4.096 65 HA GLN 13 HA GLN 13 11.150 7.967 5.134 66 HB2 GLN 13 1HB GLN 13 11.283 5.142 4.078 67 HB3 GLN 13 2HB GLN 13 12.699 6.155 4.321 68 HG2 GLN 13 1HG GLN 13 10.852 5.809 6.610 69 HG3 GLN 13 2HG GLN 13 11.851 4.434 6.143 70 HE21 GLN 13 1HE2 GLN 13 12.092 7.913 6.777 71 HE22 GLN 13 2HE2 GLN 13 13.627 7.838 7.566 72 H VAL 14 H VAL 14 12.761 8.578 3.532 73 HA VAL 14 HA VAL 14 11.667 9.695 1.234 74 HB VAL 14 HB VAL 14 14.056 9.923 0.448 75 HG11 VAL 14 1HG1 VAL 14 13.397 10.816 3.253 76 HG12 VAL 14 2HG1 VAL 14 14.672 11.494 2.239 77 HG13 VAL 14 3HG1 VAL 14 12.982 11.657 1.760 78 HG21 VAL 14 1HG2 VAL 14 15.407 8.312 1.256 79 HG22 VAL 14 2HG2 VAL 14 15.569 9.405 2.630 80 HG23 VAL 14 3HG2 VAL 14 14.425 8.065 2.700 81 H SER 15 H SER 15 12.048 9.228 -1.010 82 HA SER 15 HA SER 15 11.694 6.437 -1.605 83 HB2 SER 15 1HB SER 15 11.442 7.217 -3.946 84 HB3 SER 15 2HB SER 15 10.402 8.104 -2.831 85 HG SER 15 HG SER 15 11.320 9.807 -3.636 86 H TYR 16 H TYR 16 13.614 5.395 -1.141 87 HA TYR 16 HA TYR 16 15.845 6.024 -2.957 88 HB2 TYR 16 1HB TYR 16 17.446 5.544 -1.250 89 HB3 TYR 16 2HB TYR 16 16.291 6.679 -0.562 90 HD1 TYR 16 1HD TYR 16 17.308 3.123 -0.625 91 HD2 TYR 16 2HD TYR 16 14.994 6.105 1.338 92 HE1 TYR 16 1HE TYR 16 16.914 1.576 1.246 93 HE2 TYR 16 2HE TYR 16 14.595 4.567 3.216 94 HH TYR 16 HH TYR 16 15.834 1.242 3.163 95 H GLY 17 H GLY 17 17.443 4.055 -2.950 96 HA2 GLY 17 1HA GLY 17 17.745 1.920 -3.747 97 HA3 GLY 17 2HA GLY 17 16.685 1.460 -2.423 98 H GLU 18 H GLU 18 16.369 -0.222 -4.281 99 HA GLU 18 HA GLU 18 14.851 0.405 -6.542 100 HB2 GLU 18 1HB GLU 18 15.074 -2.126 -4.918 101 HB3 GLU 18 2HB GLU 18 14.122 -2.031 -6.393 102 HG2 GLU 18 1HG GLU 18 16.021 -1.643 -7.721 103 HG3 GLU 18 2HG GLU 18 17.027 -1.292 -6.317 104 H MET 19 H MET 19 12.892 1.256 -6.672 105 HA MET 19 HA MET 19 10.929 0.594 -4.576 106 HB2 MET 19 1HB MET 19 11.305 3.193 -6.069 107 HB3 MET 19 2HB MET 19 9.917 2.839 -5.050 108 HG2 MET 19 1HG MET 19 11.831 2.318 -3.288 109 HG3 MET 19 2HG MET 19 12.715 3.451 -4.307 110 HE1 MET 19 1HE MET 19 8.746 4.432 -2.187 111 HE2 MET 19 2HE MET 19 9.041 3.045 -3.237 112 HE3 MET 19 3HE MET 19 9.765 3.104 -1.629 113 H VAL 20 H VAL 20 8.853 0.105 -5.205 114 HA VAL 20 HA VAL 20 8.452 -0.244 -8.104 115 HB VAL 20 HB VAL 20 8.474 -2.385 -7.038 116 HG11 VAL 20 1HG1 VAL 20 7.120 -2.980 -5.152 117 HG12 VAL 20 2HG1 VAL 20 8.031 -1.525 -4.741 118 HG13 VAL 20 3HG1 VAL 20 6.323 -1.407 -5.167 119 HG21 VAL 20 1HG2 VAL 20 5.692 -2.612 -7.143 120 HG22 VAL 20 2HG2 VAL 20 6.097 -1.311 -8.262 121 HG23 VAL 20 3HG2 VAL 20 6.837 -2.900 -8.453 122 H GLY 21 H GLY 21 7.247 1.397 -8.835 123 HA2 GLY 21 1HA GLY 21 5.423 2.887 -7.276 124 HA3 GLY 21 2HA GLY 21 5.532 2.911 -9.030 125 H CYS 22 H CYS 22 3.364 2.569 -6.747 126 HA CYS 22 HA CYS 22 2.053 0.135 -7.228 127 HB2 CYS 22 1HB CYS 22 1.584 1.640 -5.306 128 HB3 CYS 22 2HB CYS 22 0.808 2.768 -6.412 129 H ASP 23 H ASP 23 0.958 -0.587 -8.923 130 HA ASP 23 HA ASP 23 0.780 0.592 -11.371 131 HB2 ASP 23 1HB ASP 23 0.237 -1.703 -11.233 132 HB3 ASP 23 2HB ASP 23 -1.033 -1.416 -10.047 133 H ASN 24 H ASN 24 -1.467 0.954 -8.682 134 HA ASN 24 HA ASN 24 -3.342 2.521 -10.196 135 HB2 ASN 24 1HB ASN 24 -3.877 1.070 -8.162 136 HB3 ASN 24 2HB ASN 24 -3.176 2.359 -7.188 137 HD21 ASN 24 1HD2 ASN 24 -5.033 2.939 -6.161 138 HD22 ASN 24 2HD2 ASN 24 -6.377 3.673 -6.962 139 H GLN 25 H GLN 25 -2.530 4.394 -10.967 140 HA GLN 25 HA GLN 25 -0.606 6.015 -9.791 141 HB2 GLN 25 1HB GLN 25 -2.826 6.628 -11.731 142 HB3 GLN 25 2HB GLN 25 -1.675 7.855 -11.217 143 HG2 GLN 25 1HG GLN 25 0.123 6.756 -12.231 144 HG3 GLN 25 2HG GLN 25 -0.777 5.249 -12.391 145 HE21 GLN 25 1HE2 GLN 25 0.593 7.271 -14.268 146 HE22 GLN 25 2HE2 GLN 25 -0.563 7.475 -15.534 147 H ASP 26 H ASP 26 -4.035 5.806 -9.201 148 HA ASP 26 HA ASP 26 -4.427 8.254 -7.887 149 HB2 ASP 26 1HB ASP 26 -6.207 6.620 -8.658 150 HB3 ASP 26 2HB ASP 26 -5.845 5.674 -7.216 151 H CYS 27 H CYS 27 -2.833 5.364 -6.898 152 HA CYS 27 HA CYS 27 -3.065 5.369 -4.160 153 HB2 CYS 27 1HB CYS 27 -1.709 3.816 -5.755 154 HB3 CYS 27 2HB CYS 27 -0.383 4.930 -5.436 155 HA PRO 28 HA PRO 28 -1.379 9.248 -2.882 156 HB2 PRO 28 1HB PRO 28 -1.100 8.666 -0.245 157 HB3 PRO 28 2HB PRO 28 -2.665 9.001 -0.995 158 HG2 PRO 28 1HG PRO 28 -1.409 6.367 -0.325 159 HG3 PRO 28 2HG PRO 28 -3.086 6.897 -0.097 160 HD2 PRO 28 1HD PRO 28 -2.324 5.325 -2.166 161 HD3 PRO 28 2HD PRO 28 -3.641 6.507 -2.300 162 H ILE 29 H ILE 29 0.215 6.199 -2.498 163 HA ILE 29 HA ILE 29 2.745 7.545 -1.840 164 HB ILE 29 HB ILE 29 2.146 4.588 -1.723 165 HG12 ILE 29 1HG1 ILE 29 2.276 6.588 0.545 166 HG13 ILE 29 2HG1 ILE 29 0.790 5.909 -0.110 167 HG21 ILE 29 1HG2 ILE 29 4.541 6.238 -1.287 168 HG22 ILE 29 2HG2 ILE 29 4.228 5.017 -0.054 169 HG23 ILE 29 3HG2 ILE 29 4.397 4.541 -1.744 170 HD11 ILE 29 1HD1 ILE 29 1.271 4.697 1.845 171 HD12 ILE 29 2HD1 ILE 29 1.712 3.642 0.501 172 HD13 ILE 29 3HD1 ILE 29 2.966 4.499 1.398 173 H GLU 30 H GLU 30 1.498 4.908 -3.896 174 HA GLU 30 HA GLU 30 2.276 4.026 -5.854 175 HB2 GLU 30 1HB GLU 30 1.361 6.346 -6.456 176 HB3 GLU 30 2HB GLU 30 3.041 6.850 -6.562 177 HG2 GLU 30 1HG GLU 30 3.181 4.717 -8.133 178 HG3 GLU 30 2HG GLU 30 1.470 5.086 -8.344 179 H TRP 31 H TRP 31 4.222 4.314 -3.647 180 HA TRP 31 HA TRP 31 6.559 3.583 -5.116 181 HB2 TRP 31 1HB TRP 31 6.549 6.210 -3.621 182 HB3 TRP 31 2HB TRP 31 8.022 5.362 -4.083 183 HD1 TRP 31 HD TRP 31 5.394 7.681 -5.429 184 HE1 TRP 31 1HE TRP 31 5.916 8.250 -7.884 185 HE3 TRP 31 3HE TRP 31 9.077 4.243 -6.293 186 HZ2 TRP 31 2HZ TRP 31 7.660 7.360 -9.917 187 HZ3 TRP 31 3HZ TRP 31 10.121 4.167 -8.520 188 HH2 TRP 31 HH TRP 31 9.425 5.693 -10.293 189 H PHE 32 H PHE 32 6.887 1.770 -3.977 190 HA PHE 32 HA PHE 32 7.271 2.045 -1.072 191 HB2 PHE 32 1HB PHE 32 6.028 -0.335 -2.465 192 HB3 PHE 32 2HB PHE 32 6.287 -0.160 -0.732 193 HD1 PHE 32 1HD PHE 32 4.495 1.380 -3.599 194 HD2 PHE 32 2HD PHE 32 4.632 0.754 0.609 195 HE1 PHE 32 1HE PHE 32 2.272 2.410 -3.378 196 HE2 PHE 32 2HE PHE 32 2.408 1.783 0.837 197 HZ PHE 32 HZ PHE 32 1.225 2.611 -1.157 198 H HIS 33 H HIS 33 8.819 0.640 -0.128 199 HA HIS 33 HA HIS 33 11.047 0.091 -1.851 200 HB2 HIS 33 1HB HIS 33 10.679 -0.533 1.086 201 HB3 HIS 33 2HB HIS 33 12.202 -0.583 0.203 202 HD2 HIS 33 2HD HIS 33 11.706 2.399 -1.299 203 HE1 HIS 33 1HE HIS 33 11.814 3.783 2.710 204 HE2 HIS 33 2HE HIS 33 11.912 4.437 0.280 205 H TYR 34 H TYR 34 12.086 -1.948 -2.115 206 HA TYR 34 HA TYR 34 10.282 -4.072 -2.659 207 HB2 TYR 34 1HB TYR 34 13.258 -3.743 -2.791 208 HB3 TYR 34 2HB TYR 34 12.549 -5.345 -2.970 209 HD1 TYR 34 2HD TYR 34 10.865 -2.306 -4.167 210 HD2 TYR 34 1HD TYR 34 13.285 -5.636 -5.246 211 HE1 TYR 34 2HE TYR 34 10.430 -1.845 -6.544 212 HE2 TYR 34 1HE TYR 34 12.857 -5.183 -7.626 213 HH TYR 34 HH TYR 34 10.982 -2.359 -8.650 214 H GLY 35 H GLY 35 12.620 -3.447 -0.088 215 HA2 GLY 35 1HA GLY 35 12.311 -6.017 1.142 216 HA3 GLY 35 2HA GLY 35 13.106 -4.615 1.843 217 H CYS 36 H CYS 36 10.589 -3.020 1.312 218 HA CYS 36 HA CYS 36 9.377 -3.535 3.866 219 HB2 CYS 36 1HB CYS 36 9.037 -1.475 1.720 220 HB3 CYS 36 2HB CYS 36 7.789 -1.647 2.950 221 H VAL 37 H VAL 37 8.409 -3.847 0.478 222 HA VAL 37 HA VAL 37 5.838 -4.981 1.256 223 HB VAL 37 HB VAL 37 5.234 -4.907 -1.058 224 HG11 VAL 37 1HG1 VAL 37 4.974 -2.792 -0.062 225 HG12 VAL 37 2HG1 VAL 37 6.708 -2.466 -0.108 226 HG13 VAL 37 3HG1 VAL 37 5.772 -2.482 -1.603 227 HG21 VAL 37 1HG2 VAL 37 6.716 -4.477 -2.849 228 HG22 VAL 37 2HG2 VAL 37 8.020 -4.010 -1.757 229 HG23 VAL 37 3HG2 VAL 37 7.508 -5.695 -1.848 230 H GLY 38 H GLY 38 8.976 -5.990 0.260 231 HA2 GLY 38 1HA GLY 38 9.806 -8.174 0.397 232 HA3 GLY 38 2HA GLY 38 8.156 -8.771 0.491 233 H LEU 39 H LEU 39 10.423 -7.236 -1.779 234 HA LEU 39 HA LEU 39 9.383 -9.018 -3.871 235 HB2 LEU 39 1HB LEU 39 9.667 -6.050 -3.933 236 HB3 LEU 39 2HB LEU 39 9.927 -6.968 -5.415 237 HG LEU 39 HG LEU 39 7.393 -7.063 -3.782 238 HD11 LEU 39 1HD1 LEU 39 6.431 -5.677 -5.573 239 HD12 LEU 39 2HD1 LEU 39 8.040 -5.484 -6.267 240 HD13 LEU 39 3HD1 LEU 39 7.686 -4.832 -4.667 241 HD21 LEU 39 1HD2 LEU 39 7.800 -9.055 -5.125 242 HD22 LEU 39 2HD2 LEU 39 8.049 -8.053 -6.555 243 HD23 LEU 39 3HD2 LEU 39 6.463 -8.113 -5.785 244 H THR 40 H THR 40 11.238 -10.314 -3.473 245 HA THR 40 HA THR 40 13.871 -9.574 -3.367 246 HB THR 40 HB THR 40 14.453 -11.770 -4.275 247 HG1 THR 40 1HG THR 40 11.834 -11.611 -5.252 248 HG21 THR 40 1HG2 THR 40 13.952 -12.355 -2.171 249 HG22 THR 40 2HG2 THR 40 12.435 -12.972 -2.824 250 HG23 THR 40 3HG2 THR 40 12.507 -11.344 -2.150 251 H GLU 41 H GLU 41 11.752 -9.499 -6.110 252 HA GLU 41 HA GLU 41 13.739 -8.086 -7.652 253 HB2 GLU 41 1HB GLU 41 13.833 -9.553 -9.522 254 HB3 GLU 41 2HB GLU 41 14.177 -10.528 -8.099 255 HG2 GLU 41 1HG GLU 41 11.383 -10.366 -9.117 256 HG3 GLU 41 2HG GLU 41 12.553 -11.393 -9.943 257 H ALA 42 H ALA 42 12.776 -7.526 -9.888 258 HA ALA 42 HA ALA 42 10.394 -6.105 -9.492 259 HB1 ALA 42 1HB ALA 42 11.603 -6.916 -12.132 260 HB2 ALA 42 2HB ALA 42 10.487 -5.580 -11.844 261 HB3 ALA 42 3HB ALA 42 12.116 -5.529 -11.170 262 HA PRO 43 HA PRO 43 7.376 -9.304 -10.009 263 HB2 PRO 43 1HB PRO 43 5.204 -7.686 -10.191 264 HB3 PRO 43 2HB PRO 43 6.026 -8.023 -8.663 265 HG2 PRO 43 1HG PRO 43 6.270 -5.642 -10.461 266 HG3 PRO 43 2HG PRO 43 6.159 -5.701 -8.692 267 HD2 PRO 43 1HD PRO 43 8.510 -5.366 -9.993 268 HD3 PRO 43 2HD PRO 43 8.390 -6.224 -8.444 269 H LYS 44 H LYS 44 7.910 -10.120 -12.048 270 HA LYS 44 HA LYS 44 7.884 -9.114 -14.512 271 HB2 LYS 44 1HB LYS 44 7.892 -11.623 -13.607 272 HB3 LYS 44 2HB LYS 44 6.248 -11.586 -14.230 273 HG2 LYS 44 1HG LYS 44 8.444 -10.616 -15.982 274 HG3 LYS 44 2HG LYS 44 8.268 -12.354 -15.725 275 HD2 LYS 44 1HD LYS 44 5.826 -12.051 -16.349 276 HD3 LYS 44 2HD LYS 44 6.269 -10.432 -16.895 277 HE2 LYS 44 1HE LYS 44 6.354 -11.800 -18.813 278 HE3 LYS 44 2HE LYS 44 8.031 -11.551 -18.331 279 HZ1 LYS 44 1HZ LYS 44 6.992 -13.844 -17.052 280 HZ2 LYS 44 2HZ LYS 44 8.295 -13.726 -18.123 281 HZ3 LYS 44 3HZ LYS 44 6.731 -13.965 -18.720 282 H GLY 45 H GLY 45 4.870 -10.345 -13.037 283 HA2 GLY 45 1HA GLY 45 3.247 -9.139 -15.077 284 HA3 GLY 45 2HA GLY 45 2.670 -9.951 -13.629 285 H LYS 46 H LYS 46 1.198 -8.493 -12.918 286 HA LYS 46 HA LYS 46 2.047 -5.707 -12.574 287 HB2 LYS 46 1HB LYS 46 -0.666 -7.027 -12.517 288 HB3 LYS 46 2HB LYS 46 -0.410 -5.352 -12.048 289 HG2 LYS 46 1HG LYS 46 0.572 -6.267 -14.705 290 HG3 LYS 46 2HG LYS 46 -1.154 -5.973 -14.478 291 HD2 LYS 46 1HD LYS 46 -0.341 -3.723 -13.433 292 HD3 LYS 46 2HD LYS 46 1.136 -4.055 -14.342 293 HE2 LYS 46 1HE LYS 46 -0.529 -4.464 -16.316 294 HE3 LYS 46 2HE LYS 46 -1.626 -3.495 -15.334 295 HZ1 LYS 46 1HZ LYS 46 0.255 -1.822 -15.244 296 HZ2 LYS 46 2HZ LYS 46 -0.543 -1.984 -16.726 297 HZ3 LYS 46 3HZ LYS 46 0.973 -2.699 -16.500 298 H TRP 47 H TRP 47 2.287 -4.778 -10.613 299 HA TRP 47 HA TRP 47 1.724 -6.453 -8.254 300 HB2 TRP 47 1HB TRP 47 4.121 -6.271 -8.585 301 HB3 TRP 47 2HB TRP 47 4.004 -4.518 -8.704 302 HD1 TRP 47 HD TRP 47 4.163 -7.339 -6.177 303 HE1 TRP 47 1HE TRP 47 4.380 -6.343 -3.814 304 HE3 TRP 47 3HE TRP 47 3.319 -2.420 -7.288 305 HZ2 TRP 47 2HZ TRP 47 4.216 -3.808 -2.583 306 HZ3 TRP 47 3HZ TRP 47 3.366 -0.774 -5.460 307 HH2 TRP 47 HH TRP 47 3.804 -1.455 -3.157 308 H TYR 48 H TYR 48 0.658 -5.547 -6.566 309 HA TYR 48 HA TYR 48 0.040 -2.673 -6.731 310 HB2 TYR 48 1HB TYR 48 -1.861 -4.948 -6.157 311 HB3 TYR 48 2HB TYR 48 -2.244 -3.262 -5.825 312 HD1 TYR 48 2HD TYR 48 -1.678 -5.757 -8.459 313 HD2 TYR 48 1HD TYR 48 -2.744 -1.725 -7.618 314 HE1 TYR 48 2HE TYR 48 -2.464 -5.487 -10.774 315 HE2 TYR 48 1HE TYR 48 -3.534 -1.445 -9.930 316 HH TYR 48 HH TYR 48 -3.928 -2.447 -11.876 317 H CYS 49 H CYS 49 0.499 -1.585 -4.939 318 HA CYS 49 HA CYS 49 1.798 -2.589 -2.748 319 HB2 CYS 49 1HB CYS 49 1.488 -0.500 -1.709 320 HB3 CYS 49 2HB CYS 49 1.428 -0.145 -3.432 321 HA PRO 50 HA PRO 50 -1.089 -4.651 -0.165 322 HB2 PRO 50 1HB PRO 50 -0.155 -4.016 2.304 323 HB3 PRO 50 2HB PRO 50 0.676 -5.141 1.223 324 HG2 PRO 50 1HG PRO 50 1.240 -2.247 1.743 325 HG3 PRO 50 2HG PRO 50 2.377 -3.599 1.589 326 HD2 PRO 50 1HD PRO 50 1.901 -1.859 -0.430 327 HD3 PRO 50 2HD PRO 50 2.301 -3.565 -0.714 328 H GLN 51 H GLN 51 -0.823 -1.256 -0.149 329 HA GLN 51 HA GLN 51 -2.856 -0.773 1.838 330 HB2 GLN 51 1HB GLN 51 -1.170 0.899 0.046 331 HB3 GLN 51 2HB GLN 51 -2.681 1.593 0.618 332 HG2 GLN 51 1HG GLN 51 -2.005 1.280 2.912 333 HG3 GLN 51 2HG GLN 51 -0.531 0.462 2.394 334 HE21 GLN 51 1HE2 GLN 51 -2.076 3.377 1.128 335 HE22 GLN 51 2HE2 GLN 51 -0.742 4.431 1.433 336 H CYS 52 H CYS 52 -2.675 -1.125 -1.628 337 HA CYS 52 HA CYS 52 -5.401 -0.197 -2.016 338 HB2 CYS 52 1HB CYS 52 -3.237 -1.169 -3.870 339 HB3 CYS 52 2HB CYS 52 -4.892 -0.947 -4.429 340 H THR 53 H THR 53 -3.601 -3.206 -2.672 341 HA THR 53 HA THR 53 -5.642 -4.849 -3.439 342 HB THR 53 HB THR 53 -3.396 -5.668 -1.586 343 HG1 THR 53 1HG THR 53 -2.148 -5.791 -3.360 344 HG21 THR 53 1HG2 THR 53 -4.590 -7.428 -3.679 345 HG22 THR 53 2HG2 THR 53 -5.446 -7.220 -2.152 346 HG23 THR 53 3HG2 THR 53 -3.803 -7.859 -2.162 347 H ALA 54 H ALA 54 -4.872 -3.777 -0.187 348 HA ALA 54 HA ALA 54 -6.630 -5.571 1.156 349 HB1 ALA 54 1HB ALA 54 -5.109 -4.793 2.647 350 HB2 ALA 54 2HB ALA 54 -5.024 -3.197 1.899 351 HB3 ALA 54 3HB ALA 54 -6.384 -3.609 2.944 352 H ALA 55 H ALA 55 -6.934 -2.274 -0.071 353 HA ALA 55 HA ALA 55 -9.539 -1.840 1.019 354 HB1 ALA 55 1HB ALA 55 -7.908 -0.400 -1.053 355 HB2 ALA 55 2HB ALA 55 -9.545 0.099 -0.622 356 HB3 ALA 55 3HB ALA 55 -8.273 0.098 0.600 357 H MET 56 H MET 56 -8.323 -2.652 -2.223 358 HA MET 56 HA MET 56 -10.775 -2.696 -3.552 359 HB2 MET 56 1HB MET 56 -8.290 -4.338 -4.064 360 HB3 MET 56 2HB MET 56 -9.638 -4.194 -5.183 361 HG2 MET 56 1HG MET 56 -9.236 -1.723 -5.205 362 HG3 MET 56 2HG MET 56 -7.765 -2.025 -4.283 363 HE1 MET 56 1HE MET 56 -5.219 -3.157 -6.664 364 HE2 MET 56 2HE MET 56 -5.712 -2.662 -5.045 365 HE3 MET 56 3HE MET 56 -6.012 -4.313 -5.592 366 H LYS 57 H LYS 57 -9.147 -5.176 -1.652 367 HA LYS 57 HA LYS 57 -10.783 -7.352 -2.300 368 HB2 LYS 57 1HB LYS 57 -9.018 -6.654 0.002 369 HB3 LYS 57 2HB LYS 57 -10.115 -8.017 0.180 370 HG2 LYS 57 1HG LYS 57 -9.141 -8.983 -1.899 371 HG3 LYS 57 2HG LYS 57 -7.952 -7.679 -1.883 372 HD2 LYS 57 1HD LYS 57 -8.371 -9.596 0.406 373 HD3 LYS 57 2HD LYS 57 -7.169 -9.833 -0.865 374 HE2 LYS 57 1HE LYS 57 -6.366 -7.465 -0.235 375 HE3 LYS 57 2HE LYS 57 -7.295 -7.704 1.244 376 HZ1 LYS 57 1HZ LYS 57 -5.109 -9.469 0.279 377 HZ2 LYS 57 2HZ LYS 57 -5.992 -9.681 1.706 378 HZ3 LYS 57 3HZ LYS 57 -4.979 -8.337 1.530 379 H ARG 58 H ARG 58 -11.032 -5.065 0.419 380 HA ARG 58 HA ARG 58 -13.397 -6.137 1.500 381 HB2 ARG 58 1HB ARG 58 -12.231 -3.354 1.667 382 HB3 ARG 58 2HB ARG 58 -13.613 -3.896 2.611 383 HG2 ARG 58 1HG ARG 58 -12.271 -5.533 3.742 384 HG3 ARG 58 2HG ARG 58 -10.890 -5.173 2.704 385 HD2 ARG 58 1HD ARG 58 -10.460 -3.168 3.742 386 HD3 ARG 58 2HD ARG 58 -12.129 -2.963 4.272 387 HE ARG 58 HE ARG 58 -11.306 -5.105 5.692 388 HH11 ARG 58 2HH1 ARG 58 -9.970 -1.929 5.196 389 HH12 ARG 58 1HH1 ARG 58 -9.206 -1.865 6.750 390 HH21 ARG 58 2HH2 ARG 58 -10.305 -5.033 7.740 391 HH22 ARG 58 1HH2 ARG 58 -9.397 -3.632 8.196 392 H ARG 59 H ARG 59 -12.871 -3.435 -0.748 393 HA ARG 59 HA ARG 59 -15.562 -2.687 -1.021 394 HB2 ARG 59 1HB ARG 59 -13.312 -2.436 -3.027 395 HB3 ARG 59 2HB ARG 59 -14.843 -1.575 -3.101 396 HG2 ARG 59 1HG ARG 59 -14.328 -0.355 -1.108 397 HG3 ARG 59 2HG ARG 59 -12.879 -1.325 -0.836 398 HD2 ARG 59 1HD ARG 59 -11.974 0.554 -1.797 399 HD3 ARG 59 2HD ARG 59 -12.220 -0.464 -3.215 400 HE ARG 59 HE ARG 59 -14.514 0.939 -3.095 401 HH11 ARG 59 2HH1 ARG 59 -11.165 1.881 -2.988 402 HH12 ARG 59 1HH1 ARG 59 -11.441 3.425 -3.724 403 HH21 ARG 59 2HH2 ARG 59 -14.890 2.969 -4.065 404 HH22 ARG 59 1HH2 ARG 59 -13.560 4.044 -4.335 405 H GLY 60 H GLY 60 -13.664 -5.194 -2.565 406 HA2 GLY 60 1HA GLY 60 -14.946 -5.876 -4.819 407 HA3 GLY 60 2HA GLY 60 -14.450 -7.092 -3.650 408 H SER 61 H SER 61 -16.125 -6.934 -1.622 409 HA SER 61 HA SER 61 -18.499 -8.091 -2.598 410 HB2 SER 61 1HB SER 61 -17.780 -7.046 0.147 411 HB3 SER 61 2HB SER 61 -19.263 -7.934 -0.204 412 HG SER 61 HG SER 61 -17.253 -9.111 0.560 413 H ARG 62 H ARG 62 -19.313 -6.510 -4.074 414 HA ARG 62 HA ARG 62 -21.321 -4.852 -2.946 415 HB2 ARG 62 1HB ARG 62 -19.159 -3.498 -2.651 416 HB3 ARG 62 2HB ARG 62 -19.179 -3.316 -4.400 417 HG2 ARG 62 1HG ARG 62 -20.974 -1.914 -4.377 418 HG3 ARG 62 2HG ARG 62 -21.641 -2.613 -2.901 419 HD2 ARG 62 1HD ARG 62 -19.054 -1.124 -2.799 420 HD3 ARG 62 2HD ARG 62 -20.573 -0.231 -2.864 421 HE ARG 62 HE ARG 62 -20.450 -2.276 -0.828 422 HH11 ARG 62 2HH1 ARG 62 -19.893 1.068 -1.621 423 HH12 ARG 62 1HH1 ARG 62 -19.986 1.608 0.022 424 HH21 ARG 62 2HH2 ARG 62 -20.575 -1.576 1.339 425 HH22 ARG 62 1HH2 ARG 62 -20.373 0.104 1.705 426 H HIS 63 H HIS 63 -22.220 -3.338 -4.803 427 HA HIS 63 HA HIS 63 -22.093 -4.824 -7.341 428 HB2 HIS 63 1HB HIS 63 -24.574 -4.221 -7.565 429 HB3 HIS 63 2HB HIS 63 -24.160 -5.505 -6.433 430 HD1 HIS 63 1HD HIS 63 -25.464 -5.321 -4.356 431 HD2 HIS 63 2HD HIS 63 -24.620 -1.586 -5.967 432 HE1 HIS 63 1HE HIS 63 -26.518 -3.660 -2.790 433 HE2 HIS 63 2HE HIS 63 -26.067 -1.411 -3.831 434 H LYS 64 H LYS 64 -22.246 -3.626 -9.219 435 HA LYS 64 HA LYS 64 -22.265 -0.698 -8.884 436 HB2 LYS 64 1HB LYS 64 -19.997 -1.536 -9.364 437 HB3 LYS 64 2HB LYS 64 -20.596 -2.306 -10.827 438 HG2 LYS 64 1HG LYS 64 -19.532 -0.290 -11.471 439 HG3 LYS 64 2HG LYS 64 -21.271 -0.040 -11.643 440 HD2 LYS 64 1HD LYS 64 -21.185 0.966 -9.299 441 HD3 LYS 64 2HD LYS 64 -19.432 1.000 -9.503 442 HE2 LYS 64 1HE LYS 64 -19.820 2.284 -11.634 443 HE3 LYS 64 2HE LYS 64 -21.513 2.415 -11.158 444 HZ1 LYS 64 1HZ LYS 64 -19.892 4.301 -10.554 445 HZ2 LYS 64 2HZ LYS 64 -19.384 3.273 -9.311 446 HZ3 LYS 64 3HZ LYS 64 -20.998 3.776 -9.386 447 H SER 65 H SER 65 -24.449 -0.531 -9.426 448 HA SER 65 HA SER 65 -25.101 -1.231 -12.214 449 HB2 SER 65 1HB SER 65 -26.908 -1.080 -9.792 450 HB3 SER 65 2HB SER 65 -27.495 -1.253 -11.446 451 HG SER 65 HG SER 65 -26.363 -3.214 -11.580 452 H GLY 66 H GLY 66 -24.719 0.614 -13.315 453 HA2 GLY 66 1HA GLY 66 -25.940 2.611 -14.061 454 HA3 GLY 66 2HA GLY 66 -26.120 3.036 -12.365 455 HA PRO 67 HA PRO 67 -21.804 4.244 -14.276 456 HB2 PRO 67 1HB PRO 67 -22.317 6.036 -16.249 457 HB3 PRO 67 2HB PRO 67 -22.109 4.307 -16.552 458 HG2 PRO 67 1HG PRO 67 -24.634 5.895 -16.301 459 HG3 PRO 67 2HG PRO 67 -24.221 4.627 -17.471 460 HD2 PRO 67 1HD PRO 67 -25.771 4.159 -15.300 461 HD3 PRO 67 2HD PRO 67 -24.689 2.929 -15.984 462 H SER 68 H SER 68 -24.732 6.161 -13.915 463 HA SER 68 HA SER 68 -25.177 8.091 -12.795 464 HB2 SER 68 1HB SER 68 -22.570 7.333 -11.475 465 HB3 SER 68 2HB SER 68 -23.495 8.754 -10.992 466 HG SER 68 HG SER 68 -24.737 7.478 -9.899 467 H SER 69 H SER 69 -24.090 8.332 -15.344 468 HA SER 69 HA SER 69 -22.600 10.856 -15.077 469 HB2 SER 69 1HB SER 69 -22.056 8.540 -16.920 470 HB3 SER 69 2HB SER 69 -21.552 10.175 -17.348 471 HG SER 69 HG SER 69 -20.047 8.720 -16.096 472 H GLY 70 H GLY 70 -23.252 12.520 -16.368 473 HA2 GLY 70 1HA GLY 70 -25.489 11.950 -18.214 474 HA3 GLY 70 2HA GLY 70 -25.477 13.348 -17.149 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -3.133 18.119 15.071 2 HA2 GLY 1 1HA GLY 1 -2.651 17.290 12.982 3 HA3 GLY 1 2HA GLY 1 -3.286 18.824 12.406 4 H SER 2 H SER 2 -0.696 16.843 12.242 5 HA SER 2 HA SER 2 1.164 19.079 11.765 6 HB2 SER 2 1HB SER 2 1.591 16.373 12.967 7 HB3 SER 2 2HB SER 2 2.910 17.123 12.069 8 HG SER 2 HG SER 2 3.208 18.458 13.663 9 H SER 3 H SER 3 1.285 19.433 9.649 10 HA SER 3 HA SER 3 1.623 17.111 7.871 11 HB2 SER 3 1HB SER 3 0.375 18.398 6.120 12 HB3 SER 3 2HB SER 3 -0.619 17.930 7.500 13 HG SER 3 HG SER 3 0.573 20.474 7.079 14 H GLY 4 H GLY 4 3.335 17.203 6.547 15 HA2 GLY 4 1HA GLY 4 4.445 19.124 5.085 16 HA3 GLY 4 2HA GLY 4 5.029 19.573 6.681 17 H SER 5 H SER 5 5.542 17.108 7.798 18 HA SER 5 HA SER 5 8.100 16.537 7.044 19 HB2 SER 5 1HB SER 5 7.978 14.589 8.372 20 HB3 SER 5 2HB SER 5 6.775 15.673 9.071 21 HG SER 5 HG SER 5 6.223 13.334 8.536 22 H SER 6 H SER 6 9.032 14.624 5.995 23 HA SER 6 HA SER 6 7.626 14.069 3.492 24 HB2 SER 6 1HB SER 6 9.865 13.172 2.764 25 HB3 SER 6 2HB SER 6 9.869 14.882 3.195 26 HG SER 6 HG SER 6 11.510 13.185 4.108 27 H GLY 7 H GLY 7 7.847 11.850 2.569 28 HA2 GLY 7 1HA GLY 7 8.506 9.508 3.569 29 HA3 GLY 7 2HA GLY 7 7.178 9.904 4.650 30 H TYR 8 H TYR 8 8.023 8.422 1.776 31 HA TYR 8 HA TYR 8 5.331 8.676 0.641 32 HB2 TYR 8 1HB TYR 8 7.995 7.902 -0.475 33 HB3 TYR 8 2HB TYR 8 6.537 7.303 -1.257 34 HD1 TYR 8 1HD TYR 8 8.202 10.442 -0.149 35 HD2 TYR 8 2HD TYR 8 5.384 8.646 -2.783 36 HE1 TYR 8 1HE TYR 8 7.987 12.571 -1.361 37 HE2 TYR 8 2HE TYR 8 5.162 10.770 -4.003 38 HH TYR 8 HH TYR 8 5.796 12.888 -4.143 39 H CYS 9 H CYS 9 7.700 6.017 0.757 40 HA CYS 9 HA CYS 9 6.041 3.889 0.516 41 HB2 CYS 9 1HB CYS 9 8.523 3.777 0.724 42 HB3 CYS 9 2HB CYS 9 8.354 4.002 2.462 43 H ILE 10 H ILE 10 5.298 2.298 2.170 44 HA ILE 10 HA ILE 10 3.412 3.434 3.883 45 HB ILE 10 HB ILE 10 3.366 1.111 4.954 46 HG12 ILE 10 1HG1 ILE 10 5.129 0.397 2.613 47 HG13 ILE 10 2HG1 ILE 10 5.769 0.646 4.233 48 HG21 ILE 10 1HG2 ILE 10 2.796 0.256 2.382 49 HG22 ILE 10 2HG2 ILE 10 1.686 1.054 3.494 50 HG23 ILE 10 3HG2 ILE 10 2.586 2.005 2.313 51 HD11 ILE 10 1HD1 ILE 10 4.148 -1.132 4.998 52 HD12 ILE 10 2HD1 ILE 10 3.880 -1.482 3.290 53 HD13 ILE 10 3HD1 ILE 10 5.489 -1.671 3.988 54 H CYS 11 H CYS 11 6.765 2.928 4.329 55 HA CYS 11 HA CYS 11 6.617 2.978 7.232 56 HB2 CYS 11 1HB CYS 11 9.097 2.863 7.110 57 HB3 CYS 11 2HB CYS 11 8.305 1.550 6.244 58 H ASN 12 H ASN 12 5.972 5.259 5.192 59 HA ASN 12 HA ASN 12 6.204 7.524 5.053 60 HB2 ASN 12 1HB ASN 12 6.672 7.117 8.014 61 HB3 ASN 12 2HB ASN 12 6.370 8.682 7.265 62 HD21 ASN 12 1HD2 ASN 12 5.010 5.626 8.175 63 HD22 ASN 12 2HD2 ASN 12 3.354 6.063 7.949 64 H GLN 13 H GLN 13 8.435 6.395 4.106 65 HA GLN 13 HA GLN 13 10.585 8.090 5.192 66 HB2 GLN 13 1HB GLN 13 10.788 5.288 4.086 67 HB3 GLN 13 2HB GLN 13 12.179 6.321 4.387 68 HG2 GLN 13 1HG GLN 13 10.273 5.871 6.615 69 HG3 GLN 13 2HG GLN 13 11.339 4.546 6.150 70 HE21 GLN 13 1HE2 GLN 13 11.224 7.860 7.281 71 HE22 GLN 13 2HE2 GLN 13 12.814 7.885 7.957 72 H VAL 14 H VAL 14 12.216 8.740 3.621 73 HA VAL 14 HA VAL 14 11.139 9.883 1.327 74 HB VAL 14 HB VAL 14 13.515 10.186 0.580 75 HG11 VAL 14 1HG1 VAL 14 13.104 10.913 3.472 76 HG12 VAL 14 2HG1 VAL 14 14.042 11.785 2.258 77 HG13 VAL 14 3HG1 VAL 14 12.283 11.726 2.140 78 HG21 VAL 14 1HG2 VAL 14 14.977 8.660 1.300 79 HG22 VAL 14 2HG2 VAL 14 14.969 9.535 2.831 80 HG23 VAL 14 3HG2 VAL 14 13.914 8.139 2.608 81 H SER 15 H SER 15 11.552 9.455 -0.919 82 HA SER 15 HA SER 15 11.307 6.643 -1.540 83 HB2 SER 15 1HB SER 15 10.817 7.387 -3.809 84 HB3 SER 15 2HB SER 15 9.886 8.344 -2.657 85 HG SER 15 HG SER 15 11.630 9.925 -2.841 86 H TYR 16 H TYR 16 13.314 5.737 -1.159 87 HA TYR 16 HA TYR 16 15.409 6.516 -3.073 88 HB2 TYR 16 1HB TYR 16 17.125 6.170 -1.428 89 HB3 TYR 16 2HB TYR 16 15.941 7.279 -0.745 90 HD1 TYR 16 2HD TYR 16 14.320 6.442 0.963 91 HD2 TYR 16 1HD TYR 16 17.572 4.070 -0.414 92 HE1 TYR 16 2HE TYR 16 14.075 4.978 2.924 93 HE2 TYR 16 1HE TYR 16 17.336 2.598 1.542 94 HH TYR 16 HH TYR 16 14.914 3.257 4.053 95 H GLY 17 H GLY 17 17.165 4.678 -3.086 96 HA2 GLY 17 1HA GLY 17 17.644 2.535 -3.752 97 HA3 GLY 17 2HA GLY 17 16.529 2.034 -2.489 98 H GLU 18 H GLU 18 16.105 0.262 -4.028 99 HA GLU 18 HA GLU 18 14.726 0.855 -6.472 100 HB2 GLU 18 1HB GLU 18 15.506 -1.600 -4.988 101 HB3 GLU 18 2HB GLU 18 14.162 -1.736 -6.113 102 HG2 GLU 18 1HG GLU 18 16.635 -0.411 -7.070 103 HG3 GLU 18 2HG GLU 18 16.665 -2.159 -6.847 104 H MET 19 H MET 19 12.749 1.697 -6.445 105 HA MET 19 HA MET 19 10.827 0.693 -4.450 106 HB2 MET 19 1HB MET 19 10.903 3.366 -5.860 107 HB3 MET 19 2HB MET 19 9.622 2.841 -4.776 108 HG2 MET 19 1HG MET 19 11.686 2.478 -3.146 109 HG3 MET 19 2HG MET 19 12.377 3.731 -4.173 110 HE1 MET 19 1HE MET 19 9.354 3.314 -1.244 111 HE2 MET 19 2HE MET 19 8.263 4.167 -2.337 112 HE3 MET 19 3HE MET 19 9.065 2.687 -2.867 113 H VAL 20 H VAL 20 8.863 -0.056 -5.115 114 HA VAL 20 HA VAL 20 8.539 -0.420 -8.009 115 HB VAL 20 HB VAL 20 8.547 -2.470 -6.666 116 HG11 VAL 20 1HG1 VAL 20 7.001 -2.941 -4.970 117 HG12 VAL 20 2HG1 VAL 20 7.524 -1.288 -4.643 118 HG13 VAL 20 3HG1 VAL 20 5.966 -1.584 -5.415 119 HG21 VAL 20 1HG2 VAL 20 5.708 -2.220 -7.511 120 HG22 VAL 20 2HG2 VAL 20 6.964 -1.962 -8.722 121 HG23 VAL 20 3HG2 VAL 20 6.880 -3.493 -7.851 122 H GLY 21 H GLY 21 7.334 1.123 -8.918 123 HA2 GLY 21 1HA GLY 21 5.453 2.722 -7.549 124 HA3 GLY 21 2HA GLY 21 5.614 2.596 -9.295 125 H CYS 22 H CYS 22 3.436 2.335 -6.945 126 HA CYS 22 HA CYS 22 2.146 -0.122 -7.373 127 HB2 CYS 22 1HB CYS 22 1.705 1.449 -5.474 128 HB3 CYS 22 2HB CYS 22 0.844 2.494 -6.598 129 H ASP 23 H ASP 23 1.011 -0.876 -9.030 130 HA ASP 23 HA ASP 23 0.777 0.342 -11.484 131 HB2 ASP 23 1HB ASP 23 0.423 -2.053 -11.159 132 HB3 ASP 23 2HB ASP 23 -1.067 -1.731 -10.277 133 H ASN 24 H ASN 24 -1.498 0.416 -8.785 134 HA ASN 24 HA ASN 24 -3.526 1.836 -10.204 135 HB2 ASN 24 1HB ASN 24 -3.881 0.407 -8.146 136 HB3 ASN 24 2HB ASN 24 -3.163 1.713 -7.207 137 HD21 ASN 24 1HD2 ASN 24 -5.004 2.135 -6.046 138 HD22 ASN 24 2HD2 ASN 24 -6.412 2.853 -6.744 139 H GLN 25 H GLN 25 -2.926 3.753 -11.058 140 HA GLN 25 HA GLN 25 -1.103 5.566 -9.970 141 HB2 GLN 25 1HB GLN 25 -3.405 6.000 -11.874 142 HB3 GLN 25 2HB GLN 25 -2.217 7.238 -11.489 143 HG2 GLN 25 1HG GLN 25 -1.547 4.557 -12.678 144 HG3 GLN 25 2HG GLN 25 -1.785 6.033 -13.611 145 HE21 GLN 25 1HE2 GLN 25 0.384 4.168 -11.794 146 HE22 GLN 25 2HE2 GLN 25 1.720 5.263 -11.815 147 H ASP 26 H ASP 26 -4.327 4.875 -9.078 148 HA ASP 26 HA ASP 26 -4.974 7.412 -7.933 149 HB2 ASP 26 1HB ASP 26 -6.575 5.512 -8.661 150 HB3 ASP 26 2HB ASP 26 -6.216 4.806 -7.088 151 H CYS 27 H CYS 27 -2.826 5.022 -7.037 152 HA CYS 27 HA CYS 27 -3.130 4.918 -4.244 153 HB2 CYS 27 1HB CYS 27 -1.634 3.506 -5.864 154 HB3 CYS 27 2HB CYS 27 -0.432 4.750 -5.539 155 HA PRO 28 HA PRO 28 -1.849 8.981 -3.071 156 HB2 PRO 28 1HB PRO 28 -1.463 8.486 -0.430 157 HB3 PRO 28 2HB PRO 28 -3.068 8.636 -1.155 158 HG2 PRO 28 1HG PRO 28 -1.526 6.165 -0.462 159 HG3 PRO 28 2HG PRO 28 -3.245 6.518 -0.211 160 HD2 PRO 28 1HD PRO 28 -2.355 4.995 -2.265 161 HD3 PRO 28 2HD PRO 28 -3.794 6.026 -2.395 162 H ILE 29 H ILE 29 0.073 6.136 -2.730 163 HA ILE 29 HA ILE 29 2.455 7.756 -2.127 164 HB ILE 29 HB ILE 29 2.224 4.752 -1.960 165 HG12 ILE 29 1HG1 ILE 29 2.063 6.761 0.297 166 HG13 ILE 29 2HG1 ILE 29 0.679 5.910 -0.380 167 HG21 ILE 29 1HG2 ILE 29 4.269 6.675 -0.858 168 HG22 ILE 29 2HG2 ILE 29 4.267 4.927 -0.631 169 HG23 ILE 29 3HG2 ILE 29 4.492 5.606 -2.243 170 HD11 ILE 29 1HD1 ILE 29 2.571 3.947 0.283 171 HD12 ILE 29 2HD1 ILE 29 2.502 5.068 1.642 172 HD13 ILE 29 3HD1 ILE 29 1.030 4.285 1.070 173 H GLU 30 H GLU 30 1.426 4.984 -4.121 174 HA GLU 30 HA GLU 30 2.065 4.275 -6.185 175 HB2 GLU 30 1HB GLU 30 3.064 7.108 -6.531 176 HB3 GLU 30 2HB GLU 30 2.757 5.951 -7.818 177 HG2 GLU 30 1HG GLU 30 0.352 5.905 -6.954 178 HG3 GLU 30 2HG GLU 30 0.785 7.362 -6.062 179 H TRP 31 H TRP 31 3.939 4.246 -3.863 180 HA TRP 31 HA TRP 31 6.220 3.257 -5.266 181 HB2 TRP 31 1HB TRP 31 6.513 5.808 -3.666 182 HB3 TRP 31 2HB TRP 31 7.866 4.803 -4.180 183 HD1 TRP 31 HD TRP 31 5.442 7.417 -5.442 184 HE1 TRP 31 1HE TRP 31 6.079 8.075 -7.847 185 HE3 TRP 31 3HE TRP 31 8.928 3.797 -6.378 186 HZ2 TRP 31 2HZ TRP 31 7.827 7.178 -9.874 187 HZ3 TRP 31 3HZ TRP 31 10.036 3.766 -8.575 188 HH2 TRP 31 HH TRP 31 9.496 5.422 -10.285 189 H PHE 32 H PHE 32 7.116 1.667 -4.107 190 HA PHE 32 HA PHE 32 7.001 1.735 -1.195 191 HB2 PHE 32 1HB PHE 32 5.876 -0.561 -2.812 192 HB3 PHE 32 2HB PHE 32 6.055 -0.532 -1.061 193 HD1 PHE 32 1HD PHE 32 4.366 1.196 -3.877 194 HD2 PHE 32 2HD PHE 32 4.356 0.308 0.285 195 HE1 PHE 32 1HE PHE 32 2.130 2.201 -3.672 196 HE2 PHE 32 2HE PHE 32 2.120 1.311 0.498 197 HZ PHE 32 HZ PHE 32 1.003 2.258 -1.483 198 H HIS 33 H HIS 33 8.669 0.678 -0.213 199 HA HIS 33 HA HIS 33 10.950 0.059 -1.788 200 HB2 HIS 33 1HB HIS 33 10.467 -0.554 1.135 201 HB3 HIS 33 2HB HIS 33 12.029 -0.496 0.323 202 HD2 HIS 33 2HD HIS 33 11.209 2.462 -1.212 203 HE1 HIS 33 1HE HIS 33 11.360 3.817 2.805 204 HE2 HIS 33 2HE HIS 33 11.298 4.498 0.381 205 H TYR 34 H TYR 34 11.953 -1.908 -2.183 206 HA TYR 34 HA TYR 34 10.263 -4.109 -2.664 207 HB2 TYR 34 1HB TYR 34 13.236 -3.704 -2.733 208 HB3 TYR 34 2HB TYR 34 12.559 -5.315 -2.944 209 HD1 TYR 34 2HD TYR 34 11.351 -2.007 -4.175 210 HD2 TYR 34 1HD TYR 34 12.853 -5.858 -5.182 211 HE1 TYR 34 2HE TYR 34 10.966 -1.528 -6.556 212 HE2 TYR 34 1HE TYR 34 12.473 -5.390 -7.566 213 HH TYR 34 HH TYR 34 10.539 -3.125 -8.709 214 H GLY 35 H GLY 35 12.414 -3.304 -0.006 215 HA2 GLY 35 1HA GLY 35 12.232 -5.895 1.229 216 HA3 GLY 35 2HA GLY 35 12.931 -4.447 1.938 217 H CYS 36 H CYS 36 10.423 -2.925 1.390 218 HA CYS 36 HA CYS 36 9.128 -3.518 3.877 219 HB2 CYS 36 1HB CYS 36 8.791 -1.454 1.736 220 HB3 CYS 36 2HB CYS 36 7.505 -1.681 2.917 221 H VAL 37 H VAL 37 8.346 -3.926 0.463 222 HA VAL 37 HA VAL 37 5.746 -5.071 1.111 223 HB VAL 37 HB VAL 37 5.379 -5.191 -1.292 224 HG11 VAL 37 1HG1 VAL 37 4.758 -3.116 -0.394 225 HG12 VAL 37 2HG1 VAL 37 6.434 -2.596 -0.209 226 HG13 VAL 37 3HG1 VAL 37 5.719 -2.716 -1.817 227 HG21 VAL 37 1HG2 VAL 37 7.897 -3.800 -1.961 228 HG22 VAL 37 2HG2 VAL 37 8.029 -5.514 -1.567 229 HG23 VAL 37 3HG2 VAL 37 6.978 -4.991 -2.882 230 H GLY 38 H GLY 38 8.955 -6.068 0.257 231 HA2 GLY 38 1HA GLY 38 9.792 -8.242 0.612 232 HA3 GLY 38 2HA GLY 38 8.145 -8.856 0.587 233 H LEU 39 H LEU 39 10.615 -7.412 -1.521 234 HA LEU 39 HA LEU 39 9.843 -9.315 -3.606 235 HB2 LEU 39 1HB LEU 39 9.941 -6.331 -3.868 236 HB3 LEU 39 2HB LEU 39 10.205 -7.376 -5.262 237 HG LEU 39 HG LEU 39 7.705 -7.389 -3.573 238 HD11 LEU 39 1HD1 LEU 39 8.526 -5.419 -5.354 239 HD12 LEU 39 2HD1 LEU 39 6.890 -5.697 -4.757 240 HD13 LEU 39 3HD1 LEU 39 7.409 -6.425 -6.277 241 HD21 LEU 39 1HD2 LEU 39 7.084 -8.412 -6.020 242 HD22 LEU 39 2HD2 LEU 39 7.466 -9.372 -4.591 243 HD23 LEU 39 3HD2 LEU 39 8.721 -9.024 -5.781 244 H THR 40 H THR 40 11.617 -10.440 -4.021 245 HA THR 40 HA THR 40 14.241 -9.445 -3.453 246 HB THR 40 HB THR 40 15.047 -11.588 -4.342 247 HG1 THR 40 1HG THR 40 12.744 -11.535 -5.675 248 HG21 THR 40 1HG2 THR 40 13.193 -12.979 -2.880 249 HG22 THR 40 2HG2 THR 40 13.011 -11.341 -2.252 250 HG23 THR 40 3HG2 THR 40 14.587 -12.132 -2.211 251 H GLU 41 H GLU 41 12.163 -9.302 -6.150 252 HA GLU 41 HA GLU 41 14.112 -7.867 -7.685 253 HB2 GLU 41 1HB GLU 41 14.394 -9.300 -9.508 254 HB3 GLU 41 2HB GLU 41 14.538 -10.370 -8.120 255 HG2 GLU 41 1HG GLU 41 11.951 -10.672 -8.523 256 HG3 GLU 41 2HG GLU 41 12.389 -10.178 -10.157 257 H ALA 42 H ALA 42 13.052 -7.634 -10.077 258 HA ALA 42 HA ALA 42 10.647 -6.184 -9.635 259 HB1 ALA 42 1HB ALA 42 10.862 -5.422 -11.796 260 HB2 ALA 42 2HB ALA 42 12.532 -5.836 -11.405 261 HB3 ALA 42 3HB ALA 42 11.555 -6.937 -12.376 262 HA PRO 43 HA PRO 43 7.810 -9.566 -10.098 263 HB2 PRO 43 1HB PRO 43 5.546 -8.069 -10.125 264 HB3 PRO 43 2HB PRO 43 6.452 -8.414 -8.647 265 HG2 PRO 43 1HG PRO 43 6.485 -5.959 -10.359 266 HG3 PRO 43 2HG PRO 43 6.455 -6.089 -8.591 267 HD2 PRO 43 1HD PRO 43 8.724 -5.573 -9.976 268 HD3 PRO 43 2HD PRO 43 8.721 -6.493 -8.457 269 H LYS 44 H LYS 44 8.247 -10.309 -12.173 270 HA LYS 44 HA LYS 44 8.067 -9.198 -14.600 271 HB2 LYS 44 1HB LYS 44 7.298 -11.904 -13.614 272 HB3 LYS 44 2HB LYS 44 6.884 -11.486 -15.271 273 HG2 LYS 44 1HG LYS 44 9.409 -10.744 -15.357 274 HG3 LYS 44 2HG LYS 44 9.549 -11.889 -14.021 275 HD2 LYS 44 1HD LYS 44 9.900 -13.321 -15.759 276 HD3 LYS 44 2HD LYS 44 8.138 -13.409 -15.682 277 HE2 LYS 44 1HE LYS 44 9.495 -11.372 -17.409 278 HE3 LYS 44 2HE LYS 44 9.288 -13.030 -17.972 279 HZ1 LYS 44 1HZ LYS 44 6.851 -12.681 -17.341 280 HZ2 LYS 44 2HZ LYS 44 7.415 -11.934 -18.749 281 HZ3 LYS 44 3HZ LYS 44 7.214 -11.029 -17.335 282 H GLY 45 H GLY 45 5.223 -10.578 -12.938 283 HA2 GLY 45 1HA GLY 45 3.405 -9.506 -14.889 284 HA3 GLY 45 2HA GLY 45 2.971 -10.310 -13.388 285 H LYS 46 H LYS 46 1.331 -8.742 -13.051 286 HA LYS 46 HA LYS 46 2.171 -5.987 -12.612 287 HB2 LYS 46 1HB LYS 46 -0.546 -7.307 -12.507 288 HB3 LYS 46 2HB LYS 46 -0.267 -5.596 -12.207 289 HG2 LYS 46 1HG LYS 46 0.646 -6.845 -14.764 290 HG3 LYS 46 2HG LYS 46 -1.040 -6.370 -14.548 291 HD2 LYS 46 1HD LYS 46 -0.378 -4.088 -14.096 292 HD3 LYS 46 2HD LYS 46 1.327 -4.537 -14.166 293 HE2 LYS 46 1HE LYS 46 0.872 -3.579 -16.258 294 HE3 LYS 46 2HE LYS 46 0.851 -5.318 -16.545 295 HZ1 LYS 46 1HZ LYS 46 -1.709 -4.878 -15.975 296 HZ2 LYS 46 2HZ LYS 46 -1.085 -4.829 -17.546 297 HZ3 LYS 46 3HZ LYS 46 -1.315 -3.392 -16.683 298 H TRP 47 H TRP 47 2.441 -5.064 -10.665 299 HA TRP 47 HA TRP 47 1.841 -6.708 -8.293 300 HB2 TRP 47 1HB TRP 47 4.245 -6.434 -8.626 301 HB3 TRP 47 2HB TRP 47 4.054 -4.684 -8.694 302 HD1 TRP 47 HD TRP 47 4.157 -7.593 -6.231 303 HE1 TRP 47 1HE TRP 47 4.362 -6.653 -3.844 304 HE3 TRP 47 3HE TRP 47 3.466 -2.631 -7.250 305 HZ2 TRP 47 2HZ TRP 47 4.245 -4.141 -2.562 306 HZ3 TRP 47 3HZ TRP 47 3.527 -1.025 -5.387 307 HH2 TRP 47 HH TRP 47 3.908 -1.767 -3.092 308 H TYR 48 H TYR 48 0.785 -5.792 -6.587 309 HA TYR 48 HA TYR 48 0.064 -2.949 -6.807 310 HB2 TYR 48 1HB TYR 48 -1.803 -5.243 -6.179 311 HB3 TYR 48 2HB TYR 48 -2.222 -3.544 -5.996 312 HD1 TYR 48 2HD TYR 48 -1.352 -6.161 -8.455 313 HD2 TYR 48 1HD TYR 48 -2.863 -2.227 -7.868 314 HE1 TYR 48 2HE TYR 48 -2.063 -6.090 -10.808 315 HE2 TYR 48 1HE TYR 48 -3.579 -2.145 -10.220 316 HH TYR 48 HH TYR 48 -4.133 -4.469 -12.055 317 H CYS 49 H CYS 49 0.587 -1.861 -5.040 318 HA CYS 49 HA CYS 49 1.817 -2.839 -2.809 319 HB2 CYS 49 1HB CYS 49 1.529 -0.731 -1.819 320 HB3 CYS 49 2HB CYS 49 1.452 -0.397 -3.546 321 HA PRO 50 HA PRO 50 -1.127 -4.842 -0.245 322 HB2 PRO 50 1HB PRO 50 -0.231 -4.178 2.230 323 HB3 PRO 50 2HB PRO 50 0.610 -5.324 1.179 324 HG2 PRO 50 1HG PRO 50 1.186 -2.427 1.667 325 HG3 PRO 50 2HG PRO 50 2.316 -3.789 1.552 326 HD2 PRO 50 1HD PRO 50 1.886 -2.075 -0.500 327 HD3 PRO 50 2HD PRO 50 2.279 -3.788 -0.752 328 H GLN 51 H GLN 51 -0.831 -1.447 -0.263 329 HA GLN 51 HA GLN 51 -2.902 -0.927 1.676 330 HB2 GLN 51 1HB GLN 51 -1.135 0.701 -0.067 331 HB3 GLN 51 2HB GLN 51 -2.669 1.423 0.403 332 HG2 GLN 51 1HG GLN 51 -2.117 1.113 2.748 333 HG3 GLN 51 2HG GLN 51 -0.597 0.342 2.299 334 HE21 GLN 51 1HE2 GLN 51 -2.232 3.229 1.060 335 HE22 GLN 51 2HE2 GLN 51 -0.926 4.315 1.375 336 H CYS 52 H CYS 52 -2.657 -1.355 -1.771 337 HA CYS 52 HA CYS 52 -5.367 -0.397 -2.225 338 HB2 CYS 52 1HB CYS 52 -3.170 -1.386 -4.032 339 HB3 CYS 52 2HB CYS 52 -4.812 -1.154 -4.624 340 H THR 53 H THR 53 -3.564 -3.411 -2.851 341 HA THR 53 HA THR 53 -5.615 -5.044 -3.635 342 HB THR 53 HB THR 53 -3.388 -5.908 -1.781 343 HG1 THR 53 1HG THR 53 -2.871 -6.439 -4.340 344 HG21 THR 53 1HG2 THR 53 -5.468 -7.405 -2.542 345 HG22 THR 53 2HG2 THR 53 -3.842 -8.064 -2.357 346 HG23 THR 53 3HG2 THR 53 -4.440 -7.625 -3.957 347 H ALA 54 H ALA 54 -4.933 -3.860 -0.430 348 HA ALA 54 HA ALA 54 -6.701 -5.698 0.903 349 HB1 ALA 54 1HB ALA 54 -4.990 -3.418 1.707 350 HB2 ALA 54 2HB ALA 54 -6.357 -3.812 2.750 351 HB3 ALA 54 3HB ALA 54 -5.132 -5.032 2.403 352 H ALA 55 H ALA 55 -6.831 -2.303 -0.105 353 HA ALA 55 HA ALA 55 -9.405 -1.787 0.975 354 HB1 ALA 55 1HB ALA 55 -8.875 0.299 0.440 355 HB2 ALA 55 2HB ALA 55 -7.393 -0.302 -0.304 356 HB3 ALA 55 3HB ALA 55 -8.851 -0.107 -1.276 357 H MET 56 H MET 56 -8.299 -2.494 -2.337 358 HA MET 56 HA MET 56 -10.778 -2.421 -3.597 359 HB2 MET 56 1HB MET 56 -8.396 -4.167 -4.244 360 HB3 MET 56 2HB MET 56 -9.746 -3.854 -5.327 361 HG2 MET 56 1HG MET 56 -9.153 -1.401 -5.130 362 HG3 MET 56 2HG MET 56 -7.660 -1.929 -4.358 363 HE1 MET 56 1HE MET 56 -6.328 -3.727 -5.186 364 HE2 MET 56 2HE MET 56 -6.437 -4.488 -6.774 365 HE3 MET 56 3HE MET 56 -5.397 -3.083 -6.539 366 H LYS 57 H LYS 57 -9.198 -5.031 -1.834 367 HA LYS 57 HA LYS 57 -11.039 -7.067 -2.517 368 HB2 LYS 57 1HB LYS 57 -8.920 -6.699 -0.463 369 HB3 LYS 57 2HB LYS 57 -10.120 -7.950 -0.164 370 HG2 LYS 57 1HG LYS 57 -9.550 -8.678 -2.604 371 HG3 LYS 57 2HG LYS 57 -8.065 -7.769 -2.314 372 HD2 LYS 57 1HD LYS 57 -8.985 -9.754 -0.283 373 HD3 LYS 57 2HD LYS 57 -8.194 -10.326 -1.754 374 HE2 LYS 57 1HE LYS 57 -6.404 -8.533 -1.166 375 HE3 LYS 57 2HE LYS 57 -7.102 -8.624 0.450 376 HZ1 LYS 57 1HZ LYS 57 -5.421 -10.184 0.514 377 HZ2 LYS 57 2HZ LYS 57 -5.685 -10.712 -1.070 378 HZ3 LYS 57 3HZ LYS 57 -6.768 -11.142 0.156 379 H ARG 58 H ARG 58 -10.809 -4.908 0.297 380 HA ARG 58 HA ARG 58 -12.921 -5.888 1.790 381 HB2 ARG 58 1HB ARG 58 -11.772 -3.127 1.487 382 HB3 ARG 58 2HB ARG 58 -13.140 -3.426 2.550 383 HG2 ARG 58 1HG ARG 58 -11.742 -5.161 3.701 384 HG3 ARG 58 2HG ARG 58 -10.374 -4.583 2.748 385 HD2 ARG 58 1HD ARG 58 -12.042 -2.761 4.463 386 HD3 ARG 58 2HD ARG 58 -10.632 -3.619 5.084 387 HE ARG 58 HE ARG 58 -10.167 -2.049 2.700 388 HH11 ARG 58 2HH1 ARG 58 -10.130 -2.141 6.180 389 HH12 ARG 58 1HH1 ARG 58 -9.012 -0.827 6.333 390 HH21 ARG 58 2HH2 ARG 58 -8.695 -0.317 2.888 391 HH22 ARG 58 1HH2 ARG 58 -8.197 0.211 4.460 392 H ARG 59 H ARG 59 -13.032 -3.236 -0.594 393 HA ARG 59 HA ARG 59 -15.933 -3.287 -0.572 394 HB2 ARG 59 1HB ARG 59 -15.754 -1.387 -2.130 395 HB3 ARG 59 2HB ARG 59 -14.820 -1.127 -0.662 396 HG2 ARG 59 1HG ARG 59 -13.282 -0.443 -2.172 397 HG3 ARG 59 2HG ARG 59 -12.895 -2.165 -2.168 398 HD2 ARG 59 1HD ARG 59 -13.031 -1.417 -4.443 399 HD3 ARG 59 2HD ARG 59 -14.417 -2.454 -4.109 400 HE ARG 59 HE ARG 59 -15.018 0.302 -3.689 401 HH11 ARG 59 2HH1 ARG 59 -14.658 -2.146 -6.138 402 HH12 ARG 59 1HH1 ARG 59 -15.721 -1.364 -7.261 403 HH21 ARG 59 2HH2 ARG 59 -16.420 1.341 -5.159 404 HH22 ARG 59 1HH2 ARG 59 -16.722 0.619 -6.703 405 H GLY 60 H GLY 60 -13.831 -5.296 -1.874 406 HA2 GLY 60 1HA GLY 60 -15.217 -5.478 -4.475 407 HA3 GLY 60 2HA GLY 60 -13.596 -6.085 -4.166 408 H SER 61 H SER 61 -16.966 -6.521 -3.117 409 HA SER 61 HA SER 61 -16.663 -9.393 -3.337 410 HB2 SER 61 1HB SER 61 -15.881 -8.849 -1.021 411 HB3 SER 61 2HB SER 61 -17.479 -8.182 -0.685 412 HG SER 61 HG SER 61 -17.396 -10.323 0.002 413 H ARG 62 H ARG 62 -18.886 -10.362 -2.330 414 HA ARG 62 HA ARG 62 -20.957 -9.078 -3.914 415 HB2 ARG 62 1HB ARG 62 -20.732 -11.746 -2.538 416 HB3 ARG 62 2HB ARG 62 -22.260 -11.176 -3.195 417 HG2 ARG 62 1HG ARG 62 -21.541 -12.328 -4.998 418 HG3 ARG 62 2HG ARG 62 -20.729 -10.799 -5.342 419 HD2 ARG 62 1HD ARG 62 -18.745 -11.725 -4.069 420 HD3 ARG 62 2HD ARG 62 -19.566 -13.285 -4.108 421 HE ARG 62 HE ARG 62 -18.230 -11.970 -6.291 422 HH11 ARG 62 2HH1 ARG 62 -20.638 -14.318 -5.393 423 HH12 ARG 62 1HH1 ARG 62 -20.534 -15.189 -6.888 424 HH21 ARG 62 2HH2 ARG 62 -18.084 -13.108 -8.262 425 HH22 ARG 62 1HH2 ARG 62 -19.080 -14.500 -8.518 426 H HIS 63 H HIS 63 -21.748 -7.342 -2.825 427 HA HIS 63 HA HIS 63 -23.463 -7.859 -0.583 428 HB2 HIS 63 1HB HIS 63 -21.513 -7.596 0.739 429 HB3 HIS 63 2HB HIS 63 -20.945 -6.240 -0.231 430 HD1 HIS 63 1HD HIS 63 -23.949 -6.999 1.987 431 HD2 HIS 63 2HD HIS 63 -21.424 -3.865 0.954 432 HE1 HIS 63 1HE HIS 63 -24.675 -5.055 3.408 433 HE2 HIS 63 2HE HIS 63 -23.189 -3.147 2.704 434 H LYS 64 H LYS 64 -25.177 -6.545 -0.671 435 HA LYS 64 HA LYS 64 -25.749 -4.884 -2.761 436 HB2 LYS 64 1HB LYS 64 -27.197 -5.745 -0.725 437 HB3 LYS 64 2HB LYS 64 -26.836 -4.150 -0.077 438 HG2 LYS 64 1HG LYS 64 -27.935 -3.067 -1.858 439 HG3 LYS 64 2HG LYS 64 -28.014 -4.551 -2.810 440 HD2 LYS 64 1HD LYS 64 -29.378 -4.278 -0.144 441 HD3 LYS 64 2HD LYS 64 -30.157 -3.801 -1.654 442 HE2 LYS 64 1HE LYS 64 -30.269 -5.970 -2.435 443 HE3 LYS 64 2HE LYS 64 -28.931 -6.513 -1.423 444 HZ1 LYS 64 1HZ LYS 64 -31.325 -5.588 -0.044 445 HZ2 LYS 64 2HZ LYS 64 -30.283 -6.866 0.334 446 HZ3 LYS 64 3HZ LYS 64 -31.454 -7.058 -0.872 447 H SER 65 H SER 65 -25.181 -2.906 -3.402 448 HA SER 65 HA SER 65 -23.444 -1.333 -1.651 449 HB2 SER 65 1HB SER 65 -23.994 -1.195 -4.621 450 HB3 SER 65 2HB SER 65 -22.988 -0.026 -3.764 451 HG SER 65 HG SER 65 -22.538 -2.786 -4.165 452 H GLY 66 H GLY 66 -24.049 0.540 -0.754 453 HA2 GLY 66 1HA GLY 66 -26.544 1.790 -1.724 454 HA3 GLY 66 2HA GLY 66 -26.230 1.571 -0.009 455 HA PRO 67 HA PRO 67 -24.544 5.686 -1.717 456 HB2 PRO 67 1HB PRO 67 -26.452 7.342 -0.723 457 HB3 PRO 67 2HB PRO 67 -26.550 6.622 -2.334 458 HG2 PRO 67 1HG PRO 67 -27.881 5.766 0.207 459 HG3 PRO 67 2HG PRO 67 -28.555 5.866 -1.430 460 HD2 PRO 67 1HD PRO 67 -27.741 3.529 -0.330 461 HD3 PRO 67 2HD PRO 67 -27.626 3.856 -2.071 462 H SER 68 H SER 68 -22.874 5.952 -0.354 463 HA SER 68 HA SER 68 -23.485 6.690 2.429 464 HB2 SER 68 1HB SER 68 -22.631 4.457 2.569 465 HB3 SER 68 2HB SER 68 -21.321 4.822 1.445 466 HG SER 68 HG SER 68 -20.298 5.086 3.293 467 H SER 69 H SER 69 -23.327 8.878 1.672 468 HA SER 69 HA SER 69 -22.251 10.807 1.024 469 HB2 SER 69 1HB SER 69 -20.264 11.278 2.486 470 HB3 SER 69 2HB SER 69 -21.689 10.728 3.367 471 HG SER 69 HG SER 69 -20.124 9.476 4.169 472 H GLY 70 H GLY 70 -21.810 8.838 -0.885 473 HA2 GLY 70 1HA GLY 70 -19.128 8.332 -1.521 474 HA3 GLY 70 2HA GLY 70 -20.455 8.358 -2.673 Start of MODEL 12 1 H1 GLY 1 H GLY 1 19.105 25.545 7.877 2 HA2 GLY 1 1HA GLY 1 20.583 23.324 8.406 3 HA3 GLY 1 2HA GLY 1 18.886 23.460 8.841 4 H SER 2 H SER 2 18.249 21.388 8.470 5 HA SER 2 HA SER 2 18.583 20.378 5.722 6 HB2 SER 2 1HB SER 2 18.675 18.168 6.536 7 HB3 SER 2 2HB SER 2 19.660 19.086 7.675 8 HG SER 2 HG SER 2 17.915 17.546 8.466 9 H SER 3 H SER 3 16.807 18.870 5.034 10 HA SER 3 HA SER 3 14.381 20.140 4.891 11 HB2 SER 3 1HB SER 3 13.433 17.891 4.265 12 HB3 SER 3 2HB SER 3 14.886 18.345 3.375 13 HG SER 3 HG SER 3 15.506 17.022 5.651 14 H GLY 4 H GLY 4 12.238 19.362 5.722 15 HA2 GLY 4 1HA GLY 4 12.432 19.076 8.627 16 HA3 GLY 4 2HA GLY 4 11.008 19.576 7.726 17 H SER 5 H SER 5 9.620 18.030 6.877 18 HA SER 5 HA SER 5 10.084 15.295 7.871 19 HB2 SER 5 1HB SER 5 7.725 15.044 8.165 20 HB3 SER 5 2HB SER 5 8.158 16.599 8.877 21 HG SER 5 HG SER 5 6.255 16.459 7.378 22 H SER 6 H SER 6 10.120 13.667 6.452 23 HA SER 6 HA SER 6 8.846 13.945 3.851 24 HB2 SER 6 1HB SER 6 10.897 13.308 2.631 25 HB3 SER 6 2HB SER 6 11.088 14.852 3.462 26 HG SER 6 HG SER 6 12.558 14.000 4.716 27 H GLY 7 H GLY 7 8.163 12.029 3.009 28 HA2 GLY 7 1HA GLY 7 9.244 9.499 3.574 29 HA3 GLY 7 2HA GLY 7 7.930 9.800 4.702 30 H TYR 8 H TYR 8 8.476 8.072 2.147 31 HA TYR 8 HA TYR 8 5.884 8.669 0.876 32 HB2 TYR 8 1HB TYR 8 8.506 7.829 -0.291 33 HB3 TYR 8 2HB TYR 8 7.020 7.313 -1.081 34 HD1 TYR 8 1HD TYR 8 8.918 10.302 0.022 35 HD2 TYR 8 2HD TYR 8 5.802 8.794 -2.452 36 HE1 TYR 8 1HE TYR 8 8.774 12.479 -1.115 37 HE2 TYR 8 2HE TYR 8 5.650 10.966 -3.596 38 HH TYR 8 HH TYR 8 6.349 13.080 -3.633 39 H CYS 9 H CYS 9 8.156 5.921 0.963 40 HA CYS 9 HA CYS 9 6.380 3.873 0.637 41 HB2 CYS 9 1HB CYS 9 8.820 3.571 0.734 42 HB3 CYS 9 2HB CYS 9 8.787 3.863 2.470 43 H ILE 10 H ILE 10 5.566 2.276 2.227 44 HA ILE 10 HA ILE 10 3.773 3.399 4.016 45 HB ILE 10 HB ILE 10 3.676 1.076 5.048 46 HG12 ILE 10 1HG1 ILE 10 5.410 0.274 2.724 47 HG13 ILE 10 2HG1 ILE 10 6.109 0.624 4.301 48 HG21 ILE 10 1HG2 ILE 10 2.015 1.292 3.527 49 HG22 ILE 10 2HG2 ILE 10 3.103 1.842 2.254 50 HG23 ILE 10 3HG2 ILE 10 2.993 0.125 2.638 51 HD11 ILE 10 1HD1 ILE 10 4.039 -1.480 3.715 52 HD12 ILE 10 2HD1 ILE 10 5.758 -1.756 4.002 53 HD13 ILE 10 3HD1 ILE 10 4.737 -1.129 5.296 54 H CYS 11 H CYS 11 7.122 2.675 4.429 55 HA CYS 11 HA CYS 11 7.023 2.744 7.321 56 HB2 CYS 11 1HB CYS 11 9.477 2.536 7.180 57 HB3 CYS 11 2HB CYS 11 8.659 1.301 6.229 58 H ASN 12 H ASN 12 6.437 5.072 5.288 59 HA ASN 12 HA ASN 12 6.726 7.333 5.182 60 HB2 ASN 12 1HB ASN 12 6.961 6.725 8.117 61 HB3 ASN 12 2HB ASN 12 7.098 8.379 7.528 62 HD21 ASN 12 1HD2 ASN 12 5.126 7.800 9.252 63 HD22 ASN 12 2HD2 ASN 12 3.594 7.804 8.454 64 H GLN 13 H GLN 13 8.921 6.212 4.206 65 HA GLN 13 HA GLN 13 11.108 7.815 5.354 66 HB2 GLN 13 1HB GLN 13 11.261 5.037 4.178 67 HB3 GLN 13 2HB GLN 13 12.668 6.029 4.535 68 HG2 GLN 13 1HG GLN 13 10.710 5.553 6.712 69 HG3 GLN 13 2HG GLN 13 11.762 4.224 6.228 70 HE21 GLN 13 1HE2 GLN 13 11.724 7.549 7.366 71 HE22 GLN 13 2HE2 GLN 13 13.283 7.509 8.108 72 H VAL 14 H VAL 14 12.783 8.427 3.797 73 HA VAL 14 HA VAL 14 11.755 9.668 1.532 74 HB VAL 14 HB VAL 14 14.144 9.885 0.790 75 HG11 VAL 14 1HG1 VAL 14 12.973 11.450 2.368 76 HG12 VAL 14 2HG1 VAL 14 13.748 10.580 3.693 77 HG13 VAL 14 3HG1 VAL 14 14.731 11.430 2.500 78 HG21 VAL 14 1HG2 VAL 14 14.454 7.830 2.852 79 HG22 VAL 14 2HG2 VAL 14 15.490 8.227 1.480 80 HG23 VAL 14 3HG2 VAL 14 15.609 9.157 2.974 81 H SER 15 H SER 15 12.134 9.275 -0.722 82 HA SER 15 HA SER 15 11.773 6.495 -1.412 83 HB2 SER 15 1HB SER 15 11.679 9.074 -2.963 84 HB3 SER 15 2HB SER 15 11.649 7.515 -3.785 85 HG SER 15 HG SER 15 9.647 7.280 -3.205 86 H TYR 16 H TYR 16 13.739 5.494 -1.032 87 HA TYR 16 HA TYR 16 15.889 6.234 -2.903 88 HB2 TYR 16 1HB TYR 16 17.560 5.769 -1.269 89 HB3 TYR 16 2HB TYR 16 16.388 6.830 -0.496 90 HD1 TYR 16 2HD TYR 16 14.887 5.972 1.238 91 HD2 TYR 16 1HD TYR 16 17.842 3.484 -0.546 92 HE1 TYR 16 2HE TYR 16 14.618 4.350 3.067 93 HE2 TYR 16 1HE TYR 16 17.580 1.855 1.278 94 HH TYR 16 HH TYR 16 16.641 1.447 3.262 95 H GLY 17 H GLY 17 17.536 4.312 -3.010 96 HA2 GLY 17 1HA GLY 17 17.902 2.185 -3.792 97 HA3 GLY 17 2HA GLY 17 16.775 1.678 -2.542 98 H GLU 18 H GLU 18 16.163 0.005 -4.075 99 HA GLU 18 HA GLU 18 14.826 0.773 -6.506 100 HB2 GLU 18 1HB GLU 18 15.450 -1.790 -5.121 101 HB3 GLU 18 2HB GLU 18 14.127 -1.785 -6.278 102 HG2 GLU 18 1HG GLU 18 15.942 -0.574 -7.779 103 HG3 GLU 18 2HG GLU 18 17.037 -1.458 -6.717 104 H MET 19 H MET 19 12.868 1.643 -6.492 105 HA MET 19 HA MET 19 10.928 0.705 -4.482 106 HB2 MET 19 1HB MET 19 11.114 3.407 -5.825 107 HB3 MET 19 2HB MET 19 9.826 2.914 -4.733 108 HG2 MET 19 1HG MET 19 11.907 2.411 -3.154 109 HG3 MET 19 2HG MET 19 12.623 3.672 -4.155 110 HE1 MET 19 1HE MET 19 8.571 4.191 -2.195 111 HE2 MET 19 2HE MET 19 9.301 2.706 -2.805 112 HE3 MET 19 3HE MET 19 9.664 3.260 -1.170 113 H VAL 20 H VAL 20 8.973 -0.015 -5.155 114 HA VAL 20 HA VAL 20 8.584 -0.240 -8.053 115 HB VAL 20 HB VAL 20 8.551 -2.331 -6.748 116 HG11 VAL 20 1HG1 VAL 20 7.140 -2.759 -5.002 117 HG12 VAL 20 2HG1 VAL 20 7.376 -1.025 -4.777 118 HG13 VAL 20 3HG1 VAL 20 5.916 -1.623 -5.567 119 HG21 VAL 20 1HG2 VAL 20 7.063 -3.216 -8.167 120 HG22 VAL 20 2HG2 VAL 20 5.743 -2.226 -7.545 121 HG23 VAL 20 3HG2 VAL 20 6.847 -1.567 -8.753 122 H GLY 21 H GLY 21 7.418 1.375 -8.884 123 HA2 GLY 21 1HA GLY 21 5.606 2.977 -7.428 124 HA3 GLY 21 2HA GLY 21 5.740 2.914 -9.179 125 H CYS 22 H CYS 22 3.631 2.540 -6.736 126 HA CYS 22 HA CYS 22 2.249 0.175 -7.250 127 HB2 CYS 22 1HB CYS 22 1.843 1.646 -5.297 128 HB3 CYS 22 2HB CYS 22 1.082 2.822 -6.364 129 H ASP 23 H ASP 23 1.197 -0.510 -8.983 130 HA ASP 23 HA ASP 23 0.926 0.813 -11.367 131 HB2 ASP 23 1HB ASP 23 0.533 -1.657 -10.875 132 HB3 ASP 23 2HB ASP 23 -1.103 -1.202 -10.407 133 H ASN 24 H ASN 24 -1.246 0.865 -8.607 134 HA ASN 24 HA ASN 24 -3.322 2.301 -9.974 135 HB2 ASN 24 1HB ASN 24 -3.639 0.776 -7.963 136 HB3 ASN 24 2HB ASN 24 -2.958 2.073 -6.986 137 HD21 ASN 24 1HD2 ASN 24 -4.794 2.459 -5.821 138 HD22 ASN 24 2HD2 ASN 24 -6.224 3.144 -6.507 139 H GLN 25 H GLN 25 -2.714 4.250 -10.748 140 HA GLN 25 HA GLN 25 -0.888 6.013 -9.586 141 HB2 GLN 25 1HB GLN 25 -3.112 6.356 -11.570 142 HB3 GLN 25 2HB GLN 25 -2.224 7.757 -10.986 143 HG2 GLN 25 1HG GLN 25 -0.121 6.474 -11.685 144 HG3 GLN 25 2HG GLN 25 -1.222 5.439 -12.592 145 HE21 GLN 25 1HE2 GLN 25 -1.303 5.967 -14.643 146 HE22 GLN 25 2HE2 GLN 25 -1.226 7.566 -15.293 147 H ASP 26 H ASP 26 -4.159 5.337 -8.782 148 HA ASP 26 HA ASP 26 -4.793 7.802 -7.513 149 HB2 ASP 26 1HB ASP 26 -5.956 5.030 -7.385 150 HB3 ASP 26 2HB ASP 26 -6.550 6.317 -6.339 151 H CYS 27 H CYS 27 -2.599 5.433 -6.716 152 HA CYS 27 HA CYS 27 -2.902 5.249 -3.914 153 HB2 CYS 27 1HB CYS 27 -1.433 3.859 -5.594 154 HB3 CYS 27 2HB CYS 27 -0.211 5.068 -5.216 155 HA PRO 28 HA PRO 28 -1.544 9.268 -2.676 156 HB2 PRO 28 1HB PRO 28 -1.127 8.713 -0.051 157 HB3 PRO 28 2HB PRO 28 -2.740 8.899 -0.749 158 HG2 PRO 28 1HG PRO 28 -1.223 6.395 -0.129 159 HG3 PRO 28 2HG PRO 28 -2.934 6.765 0.153 160 HD2 PRO 28 1HD PRO 28 -2.094 5.273 -1.944 161 HD3 PRO 28 2HD PRO 28 -3.520 6.326 -2.032 162 H ILE 29 H ILE 29 0.343 6.390 -2.418 163 HA ILE 29 HA ILE 29 2.756 7.967 -1.825 164 HB ILE 29 HB ILE 29 2.499 4.965 -1.700 165 HG12 ILE 29 1HG1 ILE 29 2.397 6.903 0.618 166 HG13 ILE 29 2HG1 ILE 29 0.970 6.161 -0.098 167 HG21 ILE 29 1HG2 ILE 29 4.550 5.100 -0.386 168 HG22 ILE 29 2HG2 ILE 29 4.769 5.824 -1.978 169 HG23 ILE 29 3HG2 ILE 29 4.556 6.855 -0.564 170 HD11 ILE 29 1HD1 ILE 29 3.128 4.924 1.540 171 HD12 ILE 29 2HD1 ILE 29 1.376 4.791 1.695 172 HD13 ILE 29 3HD1 ILE 29 2.215 3.936 0.401 173 H GLU 30 H GLU 30 1.651 5.244 -3.843 174 HA GLU 30 HA GLU 30 2.247 4.555 -5.927 175 HB2 GLU 30 1HB GLU 30 3.409 7.307 -6.344 176 HB3 GLU 30 2HB GLU 30 2.793 6.201 -7.564 177 HG2 GLU 30 1HG GLU 30 0.536 6.446 -6.444 178 HG3 GLU 30 2HG GLU 30 1.242 7.786 -5.544 179 H TRP 31 H TRP 31 4.151 4.453 -3.631 180 HA TRP 31 HA TRP 31 6.398 3.453 -5.087 181 HB2 TRP 31 1HB TRP 31 6.756 5.948 -3.417 182 HB3 TRP 31 2HB TRP 31 8.083 4.936 -3.979 183 HD1 TRP 31 HD TRP 31 5.744 7.671 -5.102 184 HE1 TRP 31 1HE TRP 31 6.342 8.376 -7.504 185 HE3 TRP 31 3HE TRP 31 9.025 3.924 -6.256 186 HZ2 TRP 31 2HZ TRP 31 7.987 7.465 -9.610 187 HZ3 TRP 31 3HZ TRP 31 10.067 3.913 -8.485 188 HH2 TRP 31 HH TRP 31 9.557 5.647 -10.126 189 H PHE 32 H PHE 32 7.219 1.786 -3.995 190 HA PHE 32 HA PHE 32 7.180 1.784 -1.080 191 HB2 PHE 32 1HB PHE 32 5.945 -0.449 -2.705 192 HB3 PHE 32 2HB PHE 32 6.119 -0.415 -0.953 193 HD1 PHE 32 1HD PHE 32 4.616 1.564 -3.730 194 HD2 PHE 32 2HD PHE 32 4.343 0.297 0.324 195 HE1 PHE 32 1HE PHE 32 2.420 2.657 -3.540 196 HE2 PHE 32 2HE PHE 32 2.147 1.388 0.521 197 HZ PHE 32 HZ PHE 32 1.182 2.569 -1.413 198 H HIS 33 H HIS 33 8.810 0.603 -0.162 199 HA HIS 33 HA HIS 33 11.029 -0.062 -1.810 200 HB2 HIS 33 1HB HIS 33 10.574 -0.713 1.109 201 HB3 HIS 33 2HB HIS 33 12.120 -0.746 0.267 202 HD2 HIS 33 2HD HIS 33 11.489 2.283 -1.207 203 HE1 HIS 33 1HE HIS 33 11.776 3.563 2.828 204 HE2 HIS 33 2HE HIS 33 11.734 4.283 0.414 205 H TYR 34 H TYR 34 11.981 -2.081 -2.195 206 HA TYR 34 HA TYR 34 10.174 -4.185 -2.737 207 HB2 TYR 34 1HB TYR 34 13.168 -3.939 -2.804 208 HB3 TYR 34 2HB TYR 34 12.389 -5.491 -3.090 209 HD1 TYR 34 2HD TYR 34 11.398 -2.058 -4.160 210 HD2 TYR 34 1HD TYR 34 12.651 -5.946 -5.351 211 HE1 TYR 34 2HE TYR 34 11.046 -1.443 -6.516 212 HE2 TYR 34 1HE TYR 34 12.304 -5.341 -7.710 213 HH TYR 34 HH TYR 34 12.164 -3.388 -9.109 214 H GLY 35 H GLY 35 12.361 -3.527 -0.073 215 HA2 GLY 35 1HA GLY 35 12.073 -6.140 1.104 216 HA3 GLY 35 2HA GLY 35 12.851 -4.745 1.835 217 H CYS 36 H CYS 36 10.471 -3.050 1.412 218 HA CYS 36 HA CYS 36 9.147 -3.674 3.872 219 HB2 CYS 36 1HB CYS 36 8.881 -1.503 1.816 220 HB3 CYS 36 2HB CYS 36 7.662 -1.683 3.073 221 H VAL 37 H VAL 37 8.378 -3.971 0.459 222 HA VAL 37 HA VAL 37 5.689 -4.935 1.076 223 HB VAL 37 HB VAL 37 5.312 -4.935 -1.337 224 HG11 VAL 37 1HG1 VAL 37 6.538 -2.418 -0.226 225 HG12 VAL 37 2HG1 VAL 37 5.633 -2.484 -1.740 226 HG13 VAL 37 3HG1 VAL 37 4.837 -2.883 -0.217 227 HG21 VAL 37 1HG2 VAL 37 7.602 -3.551 -2.276 228 HG22 VAL 37 2HG2 VAL 37 8.153 -5.003 -1.440 229 HG23 VAL 37 3HG2 VAL 37 6.999 -5.134 -2.767 230 H GLY 38 H GLY 38 8.825 -6.093 0.182 231 HA2 GLY 38 1HA GLY 38 9.539 -8.319 0.392 232 HA3 GLY 38 2HA GLY 38 7.859 -8.834 0.402 233 H LEU 39 H LEU 39 10.372 -7.508 -1.724 234 HA LEU 39 HA LEU 39 9.400 -9.262 -3.852 235 HB2 LEU 39 1HB LEU 39 9.652 -6.285 -3.985 236 HB3 LEU 39 2HB LEU 39 9.888 -7.261 -5.433 237 HG LEU 39 HG LEU 39 7.375 -7.236 -3.764 238 HD11 LEU 39 1HD1 LEU 39 6.817 -6.209 -6.271 239 HD12 LEU 39 2HD1 LEU 39 8.339 -5.440 -5.821 240 HD13 LEU 39 3HD1 LEU 39 6.934 -5.300 -4.764 241 HD21 LEU 39 1HD2 LEU 39 6.643 -8.930 -5.009 242 HD22 LEU 39 2HD2 LEU 39 8.307 -9.137 -5.556 243 HD23 LEU 39 3HD2 LEU 39 7.182 -8.160 -6.501 244 H THR 40 H THR 40 11.057 -10.447 -4.501 245 HA THR 40 HA THR 40 13.765 -9.738 -3.897 246 HB THR 40 HB THR 40 14.381 -11.828 -4.993 247 HG1 THR 40 1HG THR 40 12.397 -13.086 -5.747 248 HG21 THR 40 1HG2 THR 40 12.348 -11.645 -2.907 249 HG22 THR 40 2HG2 THR 40 13.824 -12.609 -2.966 250 HG23 THR 40 3HG2 THR 40 12.352 -13.200 -3.737 251 H GLU 41 H GLU 41 11.771 -9.802 -6.808 252 HA GLU 41 HA GLU 41 13.759 -8.124 -8.142 253 HB2 GLU 41 1HB GLU 41 13.796 -9.423 -10.139 254 HB3 GLU 41 2HB GLU 41 14.127 -10.522 -8.808 255 HG2 GLU 41 1HG GLU 41 11.351 -10.189 -9.869 256 HG3 GLU 41 2HG GLU 41 12.505 -11.263 -10.657 257 H ALA 42 H ALA 42 12.776 -7.457 -10.396 258 HA ALA 42 HA ALA 42 10.453 -5.956 -9.850 259 HB1 ALA 42 1HB ALA 42 11.510 -4.865 -11.495 260 HB2 ALA 42 2HB ALA 42 12.264 -6.334 -12.117 261 HB3 ALA 42 3HB ALA 42 10.608 -5.932 -12.571 262 HA PRO 43 HA PRO 43 7.372 -9.060 -10.597 263 HB2 PRO 43 1HB PRO 43 5.226 -7.399 -10.516 264 HB3 PRO 43 2HB PRO 43 6.090 -7.924 -9.066 265 HG2 PRO 43 1HG PRO 43 6.322 -5.354 -10.583 266 HG3 PRO 43 2HG PRO 43 6.266 -5.618 -8.830 267 HD2 PRO 43 1HD PRO 43 8.580 -5.168 -10.162 268 HD3 PRO 43 2HD PRO 43 8.494 -6.199 -8.719 269 H LYS 44 H LYS 44 7.878 -9.607 -12.745 270 HA LYS 44 HA LYS 44 7.673 -8.205 -15.047 271 HB2 LYS 44 1HB LYS 44 6.967 -11.057 -14.430 272 HB3 LYS 44 2HB LYS 44 6.768 -10.426 -16.060 273 HG2 LYS 44 1HG LYS 44 9.028 -10.183 -16.390 274 HG3 LYS 44 2HG LYS 44 9.376 -10.061 -14.664 275 HD2 LYS 44 1HD LYS 44 8.441 -12.542 -14.681 276 HD3 LYS 44 2HD LYS 44 8.971 -12.468 -16.363 277 HE2 LYS 44 1HE LYS 44 10.762 -11.655 -14.092 278 HE3 LYS 44 2HE LYS 44 10.640 -13.331 -14.627 279 HZ1 LYS 44 1HZ LYS 44 12.465 -12.347 -15.747 280 HZ2 LYS 44 2HZ LYS 44 11.557 -10.999 -16.214 281 HZ3 LYS 44 3HZ LYS 44 11.230 -12.515 -16.891 282 H GLY 45 H GLY 45 4.948 -9.848 -13.443 283 HA2 GLY 45 1HA GLY 45 3.024 -8.851 -15.320 284 HA3 GLY 45 2HA GLY 45 2.675 -9.681 -13.811 285 H LYS 46 H LYS 46 1.070 -8.319 -13.114 286 HA LYS 46 HA LYS 46 1.760 -5.487 -12.757 287 HB2 LYS 46 1HB LYS 46 -0.894 -6.927 -12.721 288 HB3 LYS 46 2HB LYS 46 -0.705 -5.233 -12.289 289 HG2 LYS 46 1HG LYS 46 0.331 -6.168 -14.918 290 HG3 LYS 46 2HG LYS 46 -1.407 -5.940 -14.709 291 HD2 LYS 46 1HD LYS 46 -1.197 -3.662 -14.355 292 HD3 LYS 46 2HD LYS 46 0.490 -3.792 -13.855 293 HE2 LYS 46 1HE LYS 46 -0.261 -4.537 -16.643 294 HE3 LYS 46 2HE LYS 46 -0.152 -2.831 -16.214 295 HZ1 LYS 46 1HZ LYS 46 2.024 -2.989 -16.504 296 HZ2 LYS 46 2HZ LYS 46 1.933 -4.659 -16.753 297 HZ3 LYS 46 3HZ LYS 46 2.112 -4.047 -15.187 298 H TRP 47 H TRP 47 2.188 -4.700 -10.800 299 HA TRP 47 HA TRP 47 1.592 -6.397 -8.468 300 HB2 TRP 47 1HB TRP 47 3.985 -6.072 -8.824 301 HB3 TRP 47 2HB TRP 47 3.765 -4.324 -8.839 302 HD1 TRP 47 HD TRP 47 3.826 -7.313 -6.444 303 HE1 TRP 47 1HE TRP 47 4.100 -6.432 -4.041 304 HE3 TRP 47 3HE TRP 47 3.339 -2.306 -7.354 305 HZ2 TRP 47 2HZ TRP 47 4.107 -3.944 -2.708 306 HZ3 TRP 47 3HZ TRP 47 3.492 -0.743 -5.460 307 HH2 TRP 47 HH TRP 47 3.867 -1.547 -3.186 308 H TYR 48 H TYR 48 0.871 -5.404 -6.535 309 HA TYR 48 HA TYR 48 0.003 -2.619 -6.711 310 HB2 TYR 48 1HB TYR 48 -1.846 -4.944 -6.148 311 HB3 TYR 48 2HB TYR 48 -2.263 -3.260 -5.853 312 HD1 TYR 48 1HD TYR 48 -2.678 -1.735 -7.711 313 HD2 TYR 48 2HD TYR 48 -1.737 -5.827 -8.401 314 HE1 TYR 48 1HE TYR 48 -3.459 -1.517 -10.033 315 HE2 TYR 48 2HE TYR 48 -2.515 -5.620 -10.725 316 HH TYR 48 HH TYR 48 -3.744 -4.298 -12.144 317 H CYS 49 H CYS 49 0.605 -1.607 -4.925 318 HA CYS 49 HA CYS 49 1.856 -2.698 -2.752 319 HB2 CYS 49 1HB CYS 49 1.646 -0.613 -1.685 320 HB3 CYS 49 2HB CYS 49 1.582 -0.227 -3.401 321 HA PRO 50 HA PRO 50 -1.105 -4.663 -0.179 322 HB2 PRO 50 1HB PRO 50 -0.153 -4.079 2.296 323 HB3 PRO 50 2HB PRO 50 0.638 -5.226 1.208 324 HG2 PRO 50 1HG PRO 50 1.305 -2.358 1.749 325 HG3 PRO 50 2HG PRO 50 2.394 -3.748 1.588 326 HD2 PRO 50 1HD PRO 50 1.983 -1.979 -0.420 327 HD3 PRO 50 2HD PRO 50 2.323 -3.696 -0.715 328 H GLN 51 H GLN 51 -0.714 -1.279 -0.133 329 HA GLN 51 HA GLN 51 -2.734 -0.739 1.852 330 HB2 GLN 51 1HB GLN 51 -0.958 0.871 0.102 331 HB3 GLN 51 2HB GLN 51 -2.462 1.625 0.612 332 HG2 GLN 51 1HG GLN 51 -1.865 1.197 2.954 333 HG3 GLN 51 2HG GLN 51 -0.338 0.495 2.420 334 HE21 GLN 51 1HE2 GLN 51 -2.099 3.374 1.347 335 HE22 GLN 51 2HE2 GLN 51 -0.821 4.490 1.670 336 H CYS 52 H CYS 52 -2.556 -1.060 -1.619 337 HA CYS 52 HA CYS 52 -5.238 -0.023 -2.013 338 HB2 CYS 52 1HB CYS 52 -3.124 -1.114 -3.860 339 HB3 CYS 52 2HB CYS 52 -4.764 -0.800 -4.421 340 H THR 53 H THR 53 -3.587 -3.115 -2.675 341 HA THR 53 HA THR 53 -5.690 -4.667 -3.437 342 HB THR 53 HB THR 53 -3.544 -5.607 -1.527 343 HG1 THR 53 1HG THR 53 -2.374 -4.848 -3.179 344 HG21 THR 53 1HG2 THR 53 -4.215 -7.708 -1.947 345 HG22 THR 53 2HG2 THR 53 -4.450 -7.383 -3.664 346 HG23 THR 53 3HG2 THR 53 -5.716 -6.972 -2.508 347 H ALA 54 H ALA 54 -4.864 -3.686 -0.157 348 HA ALA 54 HA ALA 54 -6.739 -5.355 1.164 349 HB1 ALA 54 1HB ALA 54 -4.962 -3.134 1.898 350 HB2 ALA 54 2HB ALA 54 -6.409 -3.299 2.895 351 HB3 ALA 54 3HB ALA 54 -5.290 -4.653 2.732 352 H ALA 55 H ALA 55 -6.900 -2.110 -0.183 353 HA ALA 55 HA ALA 55 -9.492 -1.533 0.905 354 HB1 ALA 55 1HB ALA 55 -8.868 0.079 -1.384 355 HB2 ALA 55 2HB ALA 55 -8.975 0.542 0.314 356 HB3 ALA 55 3HB ALA 55 -7.454 -0.064 -0.340 357 H MET 56 H MET 56 -8.250 -2.500 -2.277 358 HA MET 56 HA MET 56 -10.708 -2.439 -3.638 359 HB2 MET 56 1HB MET 56 -8.262 -4.138 -4.159 360 HB3 MET 56 2HB MET 56 -9.597 -3.924 -5.284 361 HG2 MET 56 1HG MET 56 -9.055 -1.396 -5.028 362 HG3 MET 56 2HG MET 56 -7.498 -1.980 -4.445 363 HE1 MET 56 1HE MET 56 -5.576 -2.835 -6.019 364 HE2 MET 56 2HE MET 56 -6.571 -4.286 -5.897 365 HE3 MET 56 3HE MET 56 -5.957 -3.767 -7.468 366 H LYS 57 H LYS 57 -9.115 -4.967 -1.766 367 HA LYS 57 HA LYS 57 -10.838 -7.086 -2.427 368 HB2 LYS 57 1HB LYS 57 -8.984 -6.514 -0.149 369 HB3 LYS 57 2HB LYS 57 -10.084 -7.881 -0.032 370 HG2 LYS 57 1HG LYS 57 -9.122 -8.508 -2.367 371 HG3 LYS 57 2HG LYS 57 -7.793 -7.449 -1.891 372 HD2 LYS 57 1HD LYS 57 -8.798 -9.728 -0.194 373 HD3 LYS 57 2HD LYS 57 -7.472 -9.883 -1.349 374 HE2 LYS 57 1HE LYS 57 -6.378 -7.947 -0.119 375 HE3 LYS 57 2HE LYS 57 -7.596 -8.187 1.133 376 HZ1 LYS 57 1HZ LYS 57 -5.283 -9.377 1.248 377 HZ2 LYS 57 2HZ LYS 57 -6.042 -10.506 0.244 378 HZ3 LYS 57 3HZ LYS 57 -6.689 -10.162 1.769 379 H ARG 58 H ARG 58 -10.857 -4.959 0.437 380 HA ARG 58 HA ARG 58 -13.040 -5.879 1.768 381 HB2 ARG 58 1HB ARG 58 -12.236 -3.003 1.307 382 HB3 ARG 58 2HB ARG 58 -13.435 -3.509 2.490 383 HG2 ARG 58 1HG ARG 58 -11.852 -4.553 3.834 384 HG3 ARG 58 2HG ARG 58 -10.666 -4.642 2.530 385 HD2 ARG 58 1HD ARG 58 -10.053 -2.436 2.755 386 HD3 ARG 58 2HD ARG 58 -11.601 -1.968 3.458 387 HE ARG 58 HE ARG 58 -10.433 -3.653 5.291 388 HH11 ARG 58 2HH1 ARG 58 -9.618 -0.632 3.765 389 HH12 ARG 58 1HH1 ARG 58 -8.691 -0.053 5.109 390 HH21 ARG 58 2HH2 ARG 58 -9.215 -2.902 7.067 391 HH22 ARG 58 1HH2 ARG 58 -8.461 -1.345 6.986 392 H ARG 59 H ARG 59 -13.200 -3.306 -0.703 393 HA ARG 59 HA ARG 59 -16.027 -3.312 -0.841 394 HB2 ARG 59 1HB ARG 59 -15.773 -1.871 -2.759 395 HB3 ARG 59 2HB ARG 59 -14.589 -1.411 -1.543 396 HG2 ARG 59 1HG ARG 59 -12.826 -2.469 -2.759 397 HG3 ARG 59 2HG ARG 59 -13.973 -3.179 -3.897 398 HD2 ARG 59 1HD ARG 59 -14.634 -0.850 -4.541 399 HD3 ARG 59 2HD ARG 59 -13.300 -0.263 -3.548 400 HE ARG 59 HE ARG 59 -12.569 -2.207 -5.559 401 HH11 ARG 59 2HH1 ARG 59 -12.944 1.163 -4.769 402 HH12 ARG 59 1HH1 ARG 59 -11.860 1.708 -6.006 403 HH21 ARG 59 2HH2 ARG 59 -11.140 -1.502 -7.191 404 HH22 ARG 59 1HH2 ARG 59 -10.836 0.192 -7.384 405 H GLY 60 H GLY 60 -13.531 -5.096 -2.531 406 HA2 GLY 60 1HA GLY 60 -15.448 -6.203 -4.428 407 HA3 GLY 60 2HA GLY 60 -13.716 -6.503 -4.401 408 H SER 61 H SER 61 -16.656 -7.138 -2.499 409 HA SER 61 HA SER 61 -15.448 -9.517 -1.353 410 HB2 SER 61 1HB SER 61 -18.084 -8.113 -0.947 411 HB3 SER 61 2HB SER 61 -17.763 -9.700 -0.249 412 HG SER 61 HG SER 61 -17.072 -7.356 0.721 413 H ARG 62 H ARG 62 -16.887 -11.529 -1.282 414 HA ARG 62 HA ARG 62 -16.988 -12.848 -3.597 415 HB2 ARG 62 1HB ARG 62 -17.647 -13.710 -1.305 416 HB3 ARG 62 2HB ARG 62 -19.261 -13.092 -1.629 417 HG2 ARG 62 1HG ARG 62 -19.554 -15.231 -2.315 418 HG3 ARG 62 2HG ARG 62 -18.967 -14.540 -3.829 419 HD2 ARG 62 1HD ARG 62 -17.079 -15.721 -1.822 420 HD3 ARG 62 2HD ARG 62 -17.921 -16.739 -2.989 421 HE ARG 62 HE ARG 62 -15.721 -14.975 -3.504 422 HH11 ARG 62 2HH1 ARG 62 -18.515 -16.517 -4.895 423 HH12 ARG 62 1HH1 ARG 62 -17.903 -16.459 -6.515 424 HH21 ARG 62 2HH2 ARG 62 -14.904 -14.894 -5.633 425 HH22 ARG 62 1HH2 ARG 62 -15.848 -15.537 -6.933 426 H HIS 63 H HIS 63 -18.100 -12.883 -5.461 427 HA HIS 63 HA HIS 63 -19.988 -10.767 -5.975 428 HB2 HIS 63 1HB HIS 63 -18.172 -11.671 -7.574 429 HB3 HIS 63 2HB HIS 63 -19.304 -12.980 -7.897 430 HD1 HIS 63 1HD HIS 63 -18.855 -9.286 -8.386 431 HD2 HIS 63 2HD HIS 63 -21.463 -12.317 -9.513 432 HE1 HIS 63 1HE HIS 63 -20.317 -8.286 -10.171 433 HE2 HIS 63 2HE HIS 63 -21.942 -10.112 -10.777 434 H LYS 64 H LYS 64 -21.111 -12.301 -4.070 435 HA LYS 64 HA LYS 64 -23.132 -13.903 -5.496 436 HB2 LYS 64 1HB LYS 64 -21.938 -14.151 -2.755 437 HB3 LYS 64 2HB LYS 64 -23.539 -14.802 -3.081 438 HG2 LYS 64 1HG LYS 64 -21.152 -15.521 -4.751 439 HG3 LYS 64 2HG LYS 64 -21.578 -16.397 -3.279 440 HD2 LYS 64 1HD LYS 64 -23.751 -16.951 -4.206 441 HD3 LYS 64 2HD LYS 64 -23.400 -16.003 -5.653 442 HE2 LYS 64 1HE LYS 64 -21.568 -18.222 -4.845 443 HE3 LYS 64 2HE LYS 64 -23.081 -18.593 -5.671 444 HZ1 LYS 64 1HZ LYS 64 -21.526 -16.485 -6.890 445 HZ2 LYS 64 2HZ LYS 64 -22.309 -17.803 -7.603 446 HZ3 LYS 64 3HZ LYS 64 -20.778 -18.003 -6.912 447 H SER 65 H SER 65 -24.448 -12.116 -5.987 448 HA SER 65 HA SER 65 -25.653 -10.746 -3.679 449 HB2 SER 65 1HB SER 65 -24.671 -9.212 -5.286 450 HB3 SER 65 2HB SER 65 -25.572 -9.963 -6.603 451 HG SER 65 HG SER 65 -27.088 -8.598 -6.145 452 H GLY 66 H GLY 66 -26.544 -12.104 -6.856 453 HA2 GLY 66 1HA GLY 66 -28.494 -13.821 -6.239 454 HA3 GLY 66 2HA GLY 66 -29.327 -12.287 -6.031 455 HA PRO 67 HA PRO 67 -30.187 -13.306 -10.361 456 HB2 PRO 67 1HB PRO 67 -32.419 -11.766 -10.497 457 HB3 PRO 67 2HB PRO 67 -32.417 -13.397 -9.816 458 HG2 PRO 67 1HG PRO 67 -32.316 -10.757 -8.409 459 HG3 PRO 67 2HG PRO 67 -33.260 -12.203 -8.007 460 HD2 PRO 67 1HD PRO 67 -30.958 -11.565 -6.731 461 HD3 PRO 67 2HD PRO 67 -31.469 -13.245 -6.996 462 H SER 68 H SER 68 -29.322 -10.449 -8.756 463 HA SER 68 HA SER 68 -29.197 -8.937 -11.278 464 HB2 SER 68 1HB SER 68 -28.921 -6.931 -9.836 465 HB3 SER 68 2HB SER 68 -30.435 -7.782 -9.529 466 HG SER 68 HG SER 68 -29.376 -8.781 -7.731 467 H SER 69 H SER 69 -27.291 -8.805 -12.239 468 HA SER 69 HA SER 69 -24.874 -9.434 -10.717 469 HB2 SER 69 1HB SER 69 -25.077 -10.717 -12.725 470 HB3 SER 69 2HB SER 69 -25.439 -9.281 -13.682 471 HG SER 69 HG SER 69 -23.371 -8.761 -13.720 472 H GLY 70 H GLY 70 -23.332 -7.978 -10.258 473 HA2 GLY 70 1HA GLY 70 -22.636 -5.723 -11.717 474 HA3 GLY 70 2HA GLY 70 -23.867 -5.206 -10.574 Start of MODEL 13 1 H1 GLY 1 H GLY 1 8.434 25.615 13.884 2 HA2 GLY 1 1HA GLY 1 9.113 23.036 14.120 3 HA3 GLY 1 2HA GLY 1 8.259 23.622 12.700 4 H SER 2 H SER 2 9.711 21.458 12.290 5 HA SER 2 HA SER 2 12.133 22.447 10.933 6 HB2 SER 2 1HB SER 2 11.705 19.780 12.298 7 HB3 SER 2 2HB SER 2 13.099 20.165 11.288 8 HG SER 2 HG SER 2 12.580 22.015 13.254 9 H SER 3 H SER 3 12.003 22.311 8.803 10 HA SER 3 HA SER 3 10.046 20.493 7.605 11 HB2 SER 3 1HB SER 3 10.391 21.842 5.547 12 HB3 SER 3 2HB SER 3 9.871 22.822 6.918 13 HG SER 3 HG SER 3 12.610 22.533 6.563 14 H GLY 4 H GLY 4 10.728 19.572 5.414 15 HA2 GLY 4 1HA GLY 4 12.593 18.799 4.051 16 HA3 GLY 4 2HA GLY 4 13.541 18.684 5.526 17 H SER 5 H SER 5 11.822 17.354 7.206 18 HA SER 5 HA SER 5 12.262 14.698 6.606 19 HB2 SER 5 1HB SER 5 10.286 16.044 8.434 20 HB3 SER 5 2HB SER 5 10.341 14.287 8.292 21 HG SER 5 HG SER 5 11.879 14.437 9.713 22 H SER 6 H SER 6 11.481 13.442 5.062 23 HA SER 6 HA SER 6 8.762 13.969 4.055 24 HB2 SER 6 1HB SER 6 10.794 14.284 2.490 25 HB3 SER 6 2HB SER 6 10.887 12.523 2.486 26 HG SER 6 HG SER 6 9.312 12.521 1.112 27 H GLY 7 H GLY 7 7.778 11.950 3.002 28 HA2 GLY 7 1HA GLY 7 8.586 9.391 3.990 29 HA3 GLY 7 2HA GLY 7 7.234 10.040 4.904 30 H TYR 8 H TYR 8 8.093 8.182 2.287 31 HA TYR 8 HA TYR 8 5.476 8.595 0.996 32 HB2 TYR 8 1HB TYR 8 8.156 7.827 -0.111 33 HB3 TYR 8 2HB TYR 8 6.688 7.332 -0.946 34 HD1 TYR 8 1HD TYR 8 8.577 10.285 0.255 35 HD2 TYR 8 2HD TYR 8 5.488 8.853 -2.295 36 HE1 TYR 8 1HE TYR 8 8.462 12.488 -0.832 37 HE2 TYR 8 2HE TYR 8 5.365 11.051 -3.391 38 HH TYR 8 HH TYR 8 6.040 13.185 -3.318 39 H CYS 9 H CYS 9 7.850 5.943 0.992 40 HA CYS 9 HA CYS 9 6.195 3.823 0.688 41 HB2 CYS 9 1HB CYS 9 8.659 3.666 0.841 42 HB3 CYS 9 2HB CYS 9 8.552 3.898 2.583 43 H ILE 10 H ILE 10 5.441 2.176 2.262 44 HA ILE 10 HA ILE 10 3.563 3.207 4.025 45 HB ILE 10 HB ILE 10 3.478 0.899 5.008 46 HG12 ILE 10 1HG1 ILE 10 5.508 0.189 2.894 47 HG13 ILE 10 2HG1 ILE 10 5.966 0.507 4.564 48 HG21 ILE 10 1HG2 ILE 10 2.629 -0.149 2.971 49 HG22 ILE 10 2HG2 ILE 10 2.121 1.535 3.084 50 HG23 ILE 10 3HG2 ILE 10 3.435 1.082 1.999 51 HD11 ILE 10 1HD1 ILE 10 5.748 -1.873 4.142 52 HD12 ILE 10 2HD1 ILE 10 4.537 -1.325 5.303 53 HD13 ILE 10 3HD1 ILE 10 4.076 -1.641 3.630 54 H CYS 11 H CYS 11 6.935 2.674 4.479 55 HA CYS 11 HA CYS 11 6.783 2.711 7.375 56 HB2 CYS 11 1HB CYS 11 9.256 2.623 7.265 57 HB3 CYS 11 2HB CYS 11 8.496 1.334 6.337 58 H ASN 12 H ASN 12 6.112 5.016 5.361 59 HA ASN 12 HA ASN 12 6.312 7.287 5.258 60 HB2 ASN 12 1HB ASN 12 6.542 6.675 8.191 61 HB3 ASN 12 2HB ASN 12 6.632 8.337 7.615 62 HD21 ASN 12 1HD2 ASN 12 4.818 9.283 6.675 63 HD22 ASN 12 2HD2 ASN 12 3.235 8.622 6.882 64 H GLN 13 H GLN 13 8.599 6.151 4.376 65 HA GLN 13 HA GLN 13 10.695 7.883 5.512 66 HB2 GLN 13 1HB GLN 13 10.939 5.092 4.389 67 HB3 GLN 13 2HB GLN 13 12.322 6.139 4.680 68 HG2 GLN 13 1HG GLN 13 10.435 5.677 6.920 69 HG3 GLN 13 2HG GLN 13 11.508 4.360 6.451 70 HE21 GLN 13 1HE2 GLN 13 11.387 7.691 7.543 71 HE22 GLN 13 2HE2 GLN 13 12.976 7.725 8.221 72 H VAL 14 H VAL 14 12.378 8.529 3.967 73 HA VAL 14 HA VAL 14 11.338 9.735 1.690 74 HB VAL 14 HB VAL 14 13.725 10.012 0.966 75 HG11 VAL 14 1HG1 VAL 14 13.873 11.789 2.319 76 HG12 VAL 14 2HG1 VAL 14 12.337 11.231 2.986 77 HG13 VAL 14 3HG1 VAL 14 13.853 10.797 3.777 78 HG21 VAL 14 1HG2 VAL 14 15.115 8.400 1.667 79 HG22 VAL 14 2HG2 VAL 14 15.186 9.319 3.171 80 HG23 VAL 14 3HG2 VAL 14 14.074 7.959 3.020 81 H SER 15 H SER 15 11.870 9.361 -0.572 82 HA SER 15 HA SER 15 11.531 6.569 -1.259 83 HB2 SER 15 1HB SER 15 11.237 7.434 -3.573 84 HB3 SER 15 2HB SER 15 10.154 8.207 -2.415 85 HG SER 15 HG SER 15 11.944 9.349 -4.019 86 H TYR 16 H TYR 16 13.528 5.640 -0.790 87 HA TYR 16 HA TYR 16 15.701 6.412 -2.622 88 HB2 TYR 16 1HB TYR 16 17.335 5.919 -0.942 89 HB3 TYR 16 2HB TYR 16 16.152 7.003 -0.220 90 HD1 TYR 16 2HD TYR 16 14.563 6.166 1.457 91 HD2 TYR 16 1HD TYR 16 17.589 3.655 -0.168 92 HE1 TYR 16 2HE TYR 16 14.215 4.568 3.294 93 HE2 TYR 16 1HE TYR 16 17.249 2.049 1.664 94 HH TYR 16 HH TYR 16 14.776 2.601 4.154 95 H GLY 17 H GLY 17 17.384 4.516 -2.699 96 HA2 GLY 17 1HA GLY 17 17.784 2.420 -3.551 97 HA3 GLY 17 2HA GLY 17 16.711 1.870 -2.273 98 H GLU 18 H GLU 18 16.413 0.227 -4.111 99 HA GLU 18 HA GLU 18 14.919 0.930 -6.400 100 HB2 GLU 18 1HB GLU 18 15.604 -1.599 -4.995 101 HB3 GLU 18 2HB GLU 18 14.251 -1.642 -6.117 102 HG2 GLU 18 1HG GLU 18 15.925 -0.483 -7.742 103 HG3 GLU 18 2HG GLU 18 17.140 -1.150 -6.653 104 H MET 19 H MET 19 12.919 1.688 -6.468 105 HA MET 19 HA MET 19 11.001 0.780 -4.422 106 HB2 MET 19 1HB MET 19 11.181 3.462 -5.804 107 HB3 MET 19 2HB MET 19 9.845 2.969 -4.771 108 HG2 MET 19 1HG MET 19 11.797 2.520 -3.056 109 HG3 MET 19 2HG MET 19 12.627 3.709 -4.057 110 HE1 MET 19 1HE MET 19 9.681 3.533 -1.109 111 HE2 MET 19 2HE MET 19 8.546 4.371 -2.168 112 HE3 MET 19 3HE MET 19 9.277 2.851 -2.685 113 H VAL 20 H VAL 20 9.051 0.027 -5.085 114 HA VAL 20 HA VAL 20 8.686 -0.281 -7.979 115 HB VAL 20 HB VAL 20 8.672 -2.348 -6.665 116 HG11 VAL 20 1HG1 VAL 20 7.479 -2.679 -4.789 117 HG12 VAL 20 2HG1 VAL 20 7.413 -0.916 -4.734 118 HG13 VAL 20 3HG1 VAL 20 6.066 -1.830 -5.415 119 HG21 VAL 20 1HG2 VAL 20 7.251 -3.170 -8.161 120 HG22 VAL 20 2HG2 VAL 20 5.880 -2.458 -7.310 121 HG23 VAL 20 3HG2 VAL 20 6.741 -1.523 -8.532 122 H GLY 21 H GLY 21 7.486 1.275 -8.868 123 HA2 GLY 21 1HA GLY 21 5.628 2.873 -7.445 124 HA3 GLY 21 2HA GLY 21 5.805 2.808 -9.192 125 H CYS 22 H CYS 22 3.669 2.358 -6.764 126 HA CYS 22 HA CYS 22 2.339 -0.019 -7.314 127 HB2 CYS 22 1HB CYS 22 1.829 1.394 -5.372 128 HB3 CYS 22 2HB CYS 22 1.149 2.621 -6.436 129 H ASP 23 H ASP 23 1.078 -0.720 -8.919 130 HA ASP 23 HA ASP 23 0.922 0.548 -11.382 131 HB2 ASP 23 1HB ASP 23 0.531 -1.894 -10.926 132 HB3 ASP 23 2HB ASP 23 -1.073 -1.467 -10.335 133 H ASN 24 H ASN 24 -1.314 0.626 -8.662 134 HA ASN 24 HA ASN 24 -3.368 2.039 -10.054 135 HB2 ASN 24 1HB ASN 24 -3.648 0.609 -7.962 136 HB3 ASN 24 2HB ASN 24 -2.978 1.967 -7.062 137 HD21 ASN 24 1HD2 ASN 24 -4.832 2.350 -5.907 138 HD22 ASN 24 2HD2 ASN 24 -6.267 2.995 -6.621 139 H GLN 25 H GLN 25 -2.843 3.971 -10.899 140 HA GLN 25 HA GLN 25 -0.982 5.782 -9.839 141 HB2 GLN 25 1HB GLN 25 -3.303 6.249 -11.715 142 HB3 GLN 25 2HB GLN 25 -2.051 7.436 -11.376 143 HG2 GLN 25 1HG GLN 25 -1.269 6.526 -13.316 144 HG3 GLN 25 2HG GLN 25 -0.443 5.521 -12.126 145 HE21 GLN 25 1HE2 GLN 25 -3.745 5.502 -13.418 146 HE22 GLN 25 2HE2 GLN 25 -3.710 3.861 -13.954 147 H ASP 26 H ASP 26 -4.193 5.082 -8.922 148 HA ASP 26 HA ASP 26 -4.820 7.632 -7.775 149 HB2 ASP 26 1HB ASP 26 -6.731 6.419 -8.312 150 HB3 ASP 26 2HB ASP 26 -6.065 4.907 -7.701 151 H CYS 27 H CYS 27 -2.692 5.237 -6.900 152 HA CYS 27 HA CYS 27 -3.035 5.090 -4.105 153 HB2 CYS 27 1HB CYS 27 -1.539 3.685 -5.750 154 HB3 CYS 27 2HB CYS 27 -0.321 4.892 -5.353 155 HA PRO 28 HA PRO 28 -1.692 9.119 -2.884 156 HB2 PRO 28 1HB PRO 28 -1.344 8.593 -0.243 157 HB3 PRO 28 2HB PRO 28 -2.938 8.780 -0.983 158 HG2 PRO 28 1HG PRO 28 -1.450 6.274 -0.297 159 HG3 PRO 28 2HG PRO 28 -3.166 6.657 -0.061 160 HD2 PRO 28 1HD PRO 28 -2.282 5.136 -2.120 161 HD3 PRO 28 2HD PRO 28 -3.700 6.196 -2.256 162 H ILE 29 H ILE 29 0.166 6.225 -2.474 163 HA ILE 29 HA ILE 29 2.569 7.786 -1.825 164 HB ILE 29 HB ILE 29 2.296 4.782 -1.789 165 HG12 ILE 29 1HG1 ILE 29 2.163 6.632 0.595 166 HG13 ILE 29 2HG1 ILE 29 0.731 5.989 -0.202 167 HG21 ILE 29 1HG2 ILE 29 4.313 6.592 -0.469 168 HG22 ILE 29 2HG2 ILE 29 4.318 4.830 -0.477 169 HG23 ILE 29 3HG2 ILE 29 4.579 5.718 -1.977 170 HD11 ILE 29 1HD1 ILE 29 1.350 4.725 1.803 171 HD12 ILE 29 2HD1 ILE 29 1.404 3.735 0.344 172 HD13 ILE 29 3HD1 ILE 29 2.901 4.331 1.061 173 H GLU 30 H GLU 30 1.522 5.120 -3.949 174 HA GLU 30 HA GLU 30 2.216 4.453 -6.010 175 HB2 GLU 30 1HB GLU 30 3.259 7.261 -6.368 176 HB3 GLU 30 2HB GLU 30 2.737 6.141 -7.618 177 HG2 GLU 30 1HG GLU 30 0.437 6.257 -6.587 178 HG3 GLU 30 2HG GLU 30 1.040 7.603 -5.621 179 H TRP 31 H TRP 31 4.077 4.407 -3.677 180 HA TRP 31 HA TRP 31 6.390 3.510 -5.092 181 HB2 TRP 31 1HB TRP 31 6.613 6.019 -3.418 182 HB3 TRP 31 2HB TRP 31 7.992 5.061 -3.951 183 HD1 TRP 31 HD TRP 31 5.565 7.694 -5.129 184 HE1 TRP 31 1HE TRP 31 6.183 8.420 -7.520 185 HE3 TRP 31 3HE TRP 31 9.024 4.087 -6.204 186 HZ2 TRP 31 2HZ TRP 31 7.908 7.575 -9.588 187 HZ3 TRP 31 3HZ TRP 31 10.112 4.117 -8.411 188 HH2 TRP 31 HH TRP 31 9.564 5.825 -10.067 189 H PHE 32 H PHE 32 7.229 1.860 -3.992 190 HA PHE 32 HA PHE 32 7.168 1.862 -1.077 191 HB2 PHE 32 1HB PHE 32 6.010 -0.411 -2.704 192 HB3 PHE 32 2HB PHE 32 6.160 -0.358 -0.951 193 HD1 PHE 32 1HD PHE 32 4.523 1.311 -3.829 194 HD2 PHE 32 2HD PHE 32 4.465 0.559 0.360 195 HE1 PHE 32 1HE PHE 32 2.296 2.345 -3.677 196 HE2 PHE 32 2HE PHE 32 2.238 1.590 0.518 197 HZ PHE 32 HZ PHE 32 1.149 2.485 -1.502 198 H HIS 33 H HIS 33 8.775 0.641 -0.131 199 HA HIS 33 HA HIS 33 11.047 0.068 -1.756 200 HB2 HIS 33 1HB HIS 33 10.573 -0.637 1.147 201 HB3 HIS 33 2HB HIS 33 12.129 -0.597 0.325 202 HD2 HIS 33 2HD HIS 33 11.401 2.433 -1.102 203 HE1 HIS 33 1HE HIS 33 11.593 3.648 2.958 204 HE2 HIS 33 2HE HIS 33 11.552 4.411 0.558 205 H TYR 34 H TYR 34 12.086 -1.943 -2.069 206 HA TYR 34 HA TYR 34 10.328 -4.077 -2.693 207 HB2 TYR 34 1HB TYR 34 13.317 -3.768 -2.685 208 HB3 TYR 34 2HB TYR 34 12.576 -5.332 -3.004 209 HD1 TYR 34 2HD TYR 34 11.414 -1.960 -4.065 210 HD2 TYR 34 1HD TYR 34 13.032 -5.708 -5.265 211 HE1 TYR 34 2HE TYR 34 11.109 -1.330 -6.422 212 HE2 TYR 34 1HE TYR 34 12.733 -5.088 -7.626 213 HH TYR 34 HH TYR 34 12.559 -2.475 -8.834 214 H GLY 35 H GLY 35 12.445 -3.393 0.023 215 HA2 GLY 35 1HA GLY 35 12.182 -6.018 1.177 216 HA3 GLY 35 2HA GLY 35 12.914 -4.611 1.935 217 H CYS 36 H CYS 36 10.495 -2.974 1.451 218 HA CYS 36 HA CYS 36 9.137 -3.627 3.884 219 HB2 CYS 36 1HB CYS 36 8.878 -1.466 1.821 220 HB3 CYS 36 2HB CYS 36 7.608 -1.683 3.022 221 H VAL 37 H VAL 37 8.425 -3.917 0.452 222 HA VAL 37 HA VAL 37 5.759 -4.961 1.015 223 HB VAL 37 HB VAL 37 5.440 -4.987 -1.406 224 HG11 VAL 37 1HG1 VAL 37 4.836 -2.944 -0.424 225 HG12 VAL 37 2HG1 VAL 37 6.517 -2.462 -0.188 226 HG13 VAL 37 3HG1 VAL 37 5.828 -2.500 -1.812 227 HG21 VAL 37 1HG2 VAL 37 7.414 -5.501 -2.445 228 HG22 VAL 37 2HG2 VAL 37 7.384 -3.755 -2.692 229 HG23 VAL 37 3HG2 VAL 37 8.367 -4.447 -1.401 230 H GLY 38 H GLY 38 8.941 -6.050 0.194 231 HA2 GLY 38 1HA GLY 38 9.689 -8.265 0.464 232 HA3 GLY 38 2HA GLY 38 8.021 -8.813 0.394 233 H LEU 39 H LEU 39 10.596 -7.419 -1.614 234 HA LEU 39 HA LEU 39 9.778 -9.203 -3.782 235 HB2 LEU 39 1HB LEU 39 10.029 -6.216 -3.963 236 HB3 LEU 39 2HB LEU 39 10.191 -7.253 -5.379 237 HG LEU 39 HG LEU 39 7.736 -7.143 -3.631 238 HD11 LEU 39 1HD1 LEU 39 6.798 -5.964 -5.700 239 HD12 LEU 39 2HD1 LEU 39 8.480 -5.641 -6.118 240 HD13 LEU 39 3HD1 LEU 39 7.813 -5.024 -4.606 241 HD21 LEU 39 1HD2 LEU 39 8.101 -9.241 -4.885 242 HD22 LEU 39 2HD2 LEU 39 8.160 -8.308 -6.381 243 HD23 LEU 39 3HD2 LEU 39 6.676 -8.355 -5.428 244 H THR 40 H THR 40 11.521 -10.380 -4.188 245 HA THR 40 HA THR 40 14.164 -9.538 -3.531 246 HB THR 40 HB THR 40 14.901 -11.636 -4.568 247 HG1 THR 40 1HG THR 40 12.297 -12.455 -5.115 248 HG21 THR 40 1HG2 THR 40 13.027 -13.098 -3.273 249 HG22 THR 40 2HG2 THR 40 12.745 -11.509 -2.562 250 HG23 THR 40 3HG2 THR 40 14.343 -12.247 -2.464 251 H GLU 41 H GLU 41 12.285 -9.700 -6.503 252 HA GLU 41 HA GLU 41 14.269 -8.002 -7.804 253 HB2 GLU 41 1HB GLU 41 14.440 -9.359 -9.770 254 HB3 GLU 41 2HB GLU 41 14.814 -10.375 -8.385 255 HG2 GLU 41 1HG GLU 41 12.033 -10.300 -9.460 256 HG3 GLU 41 2HG GLU 41 13.268 -11.258 -10.273 257 H ALA 42 H ALA 42 13.388 -7.387 -10.085 258 HA ALA 42 HA ALA 42 10.965 -6.015 -9.714 259 HB1 ALA 42 1HB ALA 42 11.464 -6.313 -12.496 260 HB2 ALA 42 2HB ALA 42 11.743 -4.906 -11.469 261 HB3 ALA 42 3HB ALA 42 13.010 -6.116 -11.670 262 HA PRO 43 HA PRO 43 8.133 -9.356 -10.502 263 HB2 PRO 43 1HB PRO 43 5.875 -7.855 -10.371 264 HB3 PRO 43 2HB PRO 43 6.775 -8.363 -8.937 265 HG2 PRO 43 1HG PRO 43 6.823 -5.735 -10.371 266 HG3 PRO 43 2HG PRO 43 6.787 -6.058 -8.628 267 HD2 PRO 43 1HD PRO 43 9.062 -5.403 -9.942 268 HD3 PRO 43 2HD PRO 43 9.050 -6.483 -8.533 269 H LYS 44 H LYS 44 8.239 -10.050 -12.569 270 HA LYS 44 HA LYS 44 8.159 -8.606 -14.899 271 HB2 LYS 44 1HB LYS 44 7.313 -11.411 -14.248 272 HB3 LYS 44 2HB LYS 44 7.115 -10.780 -15.878 273 HG2 LYS 44 1HG LYS 44 9.767 -10.546 -14.540 274 HG3 LYS 44 2HG LYS 44 9.265 -12.100 -15.211 275 HD2 LYS 44 1HD LYS 44 9.165 -9.553 -16.808 276 HD3 LYS 44 2HD LYS 44 10.613 -10.561 -16.732 277 HE2 LYS 44 1HE LYS 44 7.887 -11.489 -17.633 278 HE3 LYS 44 2HE LYS 44 9.215 -11.046 -18.705 279 HZ1 LYS 44 1HZ LYS 44 10.100 -13.049 -18.470 280 HZ2 LYS 44 2HZ LYS 44 8.713 -13.530 -17.629 281 HZ3 LYS 44 3HZ LYS 44 10.059 -12.954 -16.781 282 H GLY 45 H GLY 45 5.363 -10.217 -13.369 283 HA2 GLY 45 1HA GLY 45 3.482 -9.042 -15.169 284 HA3 GLY 45 2HA GLY 45 3.102 -9.909 -13.688 285 H LYS 46 H LYS 46 1.438 -8.324 -13.343 286 HA LYS 46 HA LYS 46 2.305 -5.608 -12.748 287 HB2 LYS 46 1HB LYS 46 -0.383 -6.951 -12.918 288 HB3 LYS 46 2HB LYS 46 -0.203 -5.340 -12.235 289 HG2 LYS 46 1HG LYS 46 0.869 -5.974 -14.954 290 HG3 LYS 46 2HG LYS 46 -0.835 -5.579 -14.717 291 HD2 LYS 46 1HD LYS 46 -0.086 -3.469 -15.052 292 HD3 LYS 46 2HD LYS 46 0.290 -3.573 -13.330 293 HE2 LYS 46 1HE LYS 46 2.556 -3.914 -13.721 294 HE3 LYS 46 2HE LYS 46 2.290 -4.448 -15.380 295 HZ1 LYS 46 1HZ LYS 46 1.385 -1.986 -15.571 296 HZ2 LYS 46 2HZ LYS 46 3.019 -2.362 -15.789 297 HZ3 LYS 46 3HZ LYS 46 2.484 -1.743 -14.308 298 H TRP 47 H TRP 47 2.567 -4.791 -10.754 299 HA TRP 47 HA TRP 47 1.907 -6.540 -8.475 300 HB2 TRP 47 1HB TRP 47 4.301 -6.351 -8.690 301 HB3 TRP 47 2HB TRP 47 4.197 -4.597 -8.821 302 HD1 TRP 47 HD TRP 47 4.208 -7.412 -6.271 303 HE1 TRP 47 1HE TRP 47 4.374 -6.404 -3.909 304 HE3 TRP 47 3HE TRP 47 3.547 -2.481 -7.446 305 HZ2 TRP 47 2HZ TRP 47 4.242 -3.855 -2.703 306 HZ3 TRP 47 3HZ TRP 47 3.580 -0.821 -5.630 307 HH2 TRP 47 HH TRP 47 3.920 -1.496 -3.308 308 H TYR 48 H TYR 48 0.756 -5.714 -6.809 309 HA TYR 48 HA TYR 48 0.096 -2.845 -6.906 310 HB2 TYR 48 1HB TYR 48 -1.742 -5.173 -6.330 311 HB3 TYR 48 2HB TYR 48 -2.170 -3.493 -6.027 312 HD1 TYR 48 2HD TYR 48 -1.413 -5.968 -8.653 313 HD2 TYR 48 1HD TYR 48 -2.814 -2.039 -7.812 314 HE1 TYR 48 2HE TYR 48 -2.194 -5.755 -10.976 315 HE2 TYR 48 1HE TYR 48 -3.599 -1.816 -10.132 316 HH TYR 48 HH TYR 48 -4.293 -3.949 -12.051 317 H CYS 49 H CYS 49 0.661 -1.791 -5.131 318 HA CYS 49 HA CYS 49 1.927 -2.815 -2.940 319 HB2 CYS 49 1HB CYS 49 1.660 -0.723 -1.903 320 HB3 CYS 49 2HB CYS 49 1.578 -0.361 -3.624 321 HA PRO 50 HA PRO 50 -0.982 -4.835 -0.351 322 HB2 PRO 50 1HB PRO 50 -0.049 -4.200 2.118 323 HB3 PRO 50 2HB PRO 50 0.774 -5.336 1.043 324 HG2 PRO 50 1HG PRO 50 1.363 -2.446 1.555 325 HG3 PRO 50 2HG PRO 50 2.489 -3.808 1.408 326 HD2 PRO 50 1HD PRO 50 2.032 -2.072 -0.618 327 HD3 PRO 50 2HD PRO 50 2.419 -3.782 -0.895 328 H GLN 51 H GLN 51 -0.685 -1.443 -0.345 329 HA GLN 51 HA GLN 51 -2.720 -0.936 1.635 330 HB2 GLN 51 1HB GLN 51 -0.972 0.697 -0.116 331 HB3 GLN 51 2HB GLN 51 -2.507 1.419 0.349 332 HG2 GLN 51 1HG GLN 51 -1.925 0.979 2.723 333 HG3 GLN 51 2HG GLN 51 -0.339 0.430 2.184 334 HE21 GLN 51 1HE2 GLN 51 -2.380 3.147 1.181 335 HE22 GLN 51 2HE2 GLN 51 -1.206 4.373 1.502 336 H CYS 52 H CYS 52 -2.533 -1.303 -1.828 337 HA CYS 52 HA CYS 52 -5.251 -0.352 -2.225 338 HB2 CYS 52 1HB CYS 52 -3.101 -1.362 -4.080 339 HB3 CYS 52 2HB CYS 52 -4.751 -1.092 -4.634 340 H THR 53 H THR 53 -3.475 -3.375 -2.887 341 HA THR 53 HA THR 53 -5.531 -5.002 -3.647 342 HB THR 53 HB THR 53 -3.243 -5.791 -1.833 343 HG1 THR 53 1HG THR 53 -2.479 -4.918 -3.765 344 HG21 THR 53 1HG2 THR 53 -5.460 -7.292 -2.906 345 HG22 THR 53 2HG2 THR 53 -4.188 -7.811 -1.799 346 HG23 THR 53 3HG2 THR 53 -3.931 -7.898 -3.541 347 H ALA 54 H ALA 54 -4.802 -3.860 -0.425 348 HA ALA 54 HA ALA 54 -6.592 -5.662 0.910 349 HB1 ALA 54 1HB ALA 54 -6.253 -3.745 2.734 350 HB2 ALA 54 2HB ALA 54 -5.037 -4.983 2.414 351 HB3 ALA 54 3HB ALA 54 -4.876 -3.381 1.694 352 H ALA 55 H ALA 55 -6.749 -2.324 -0.235 353 HA ALA 55 HA ALA 55 -9.312 -1.773 0.878 354 HB1 ALA 55 1HB ALA 55 -7.824 -0.409 -1.362 355 HB2 ALA 55 2HB ALA 55 -9.274 0.214 -0.573 356 HB3 ALA 55 3HB ALA 55 -7.781 0.027 0.347 357 H MET 56 H MET 56 -8.207 -2.655 -2.385 358 HA MET 56 HA MET 56 -10.673 -2.580 -3.674 359 HB2 MET 56 1HB MET 56 -8.304 -4.383 -4.196 360 HB3 MET 56 2HB MET 56 -9.656 -4.165 -5.299 361 HG2 MET 56 1HG MET 56 -9.069 -1.680 -5.237 362 HG3 MET 56 2HG MET 56 -7.548 -2.191 -4.510 363 HE1 MET 56 1HE MET 56 -5.651 -4.035 -7.043 364 HE2 MET 56 2HE MET 56 -5.380 -2.370 -6.527 365 HE3 MET 56 3HE MET 56 -5.940 -3.575 -5.365 366 H LYS 57 H LYS 57 -9.141 -5.180 -1.836 367 HA LYS 57 HA LYS 57 -11.040 -7.182 -2.407 368 HB2 LYS 57 1HB LYS 57 -9.010 -6.770 -0.242 369 HB3 LYS 57 2HB LYS 57 -10.170 -8.085 -0.107 370 HG2 LYS 57 1HG LYS 57 -9.405 -8.823 -2.400 371 HG3 LYS 57 2HG LYS 57 -8.084 -7.666 -2.226 372 HD2 LYS 57 1HD LYS 57 -8.664 -9.832 -0.214 373 HD3 LYS 57 2HD LYS 57 -7.547 -10.038 -1.565 374 HE2 LYS 57 1HE LYS 57 -6.017 -8.545 -0.700 375 HE3 LYS 57 2HE LYS 57 -7.231 -7.689 0.249 376 HZ1 LYS 57 1HZ LYS 57 -5.488 -9.545 1.198 377 HZ2 LYS 57 2HZ LYS 57 -6.925 -10.424 1.046 378 HZ3 LYS 57 3HZ LYS 57 -6.889 -9.017 1.984 379 H ARG 58 H ARG 58 -10.850 -4.750 0.148 380 HA ARG 58 HA ARG 58 -13.022 -5.674 1.684 381 HB2 ARG 58 1HB ARG 58 -11.740 -2.962 1.389 382 HB3 ARG 58 2HB ARG 58 -13.087 -3.246 2.483 383 HG2 ARG 58 1HG ARG 58 -11.733 -4.990 3.614 384 HG3 ARG 58 2HG ARG 58 -10.373 -4.540 2.583 385 HD2 ARG 58 1HD ARG 58 -10.667 -2.183 3.460 386 HD3 ARG 58 2HD ARG 58 -11.767 -2.865 4.657 387 HE ARG 58 HE ARG 58 -9.594 -4.372 5.016 388 HH11 ARG 58 2HH1 ARG 58 -9.966 -0.925 4.705 389 HH12 ARG 58 1HH1 ARG 58 -8.602 -0.556 5.707 390 HH21 ARG 58 2HH2 ARG 58 -7.797 -3.899 6.338 391 HH22 ARG 58 1HH2 ARG 58 -7.368 -2.249 6.635 392 H ARG 59 H ARG 59 -12.828 -3.548 -1.110 393 HA ARG 59 HA ARG 59 -15.663 -2.933 -0.989 394 HB2 ARG 59 1HB ARG 59 -13.427 -2.110 -2.831 395 HB3 ARG 59 2HB ARG 59 -15.107 -1.735 -3.191 396 HG2 ARG 59 1HG ARG 59 -15.311 -0.339 -1.313 397 HG3 ARG 59 2HG ARG 59 -13.821 -0.955 -0.595 398 HD2 ARG 59 1HD ARG 59 -12.669 -0.016 -2.693 399 HD3 ARG 59 2HD ARG 59 -14.163 0.888 -2.937 400 HE ARG 59 HE ARG 59 -13.044 1.179 -0.304 401 HH11 ARG 59 2HH1 ARG 59 -13.027 2.367 -3.577 402 HH12 ARG 59 1HH1 ARG 59 -12.440 3.938 -3.142 403 HH21 ARG 59 2HH2 ARG 59 -12.271 3.244 0.281 404 HH22 ARG 59 1HH2 ARG 59 -12.010 4.435 -0.947 405 H GLY 60 H GLY 60 -14.645 -5.708 -1.439 406 HA2 GLY 60 1HA GLY 60 -15.342 -6.307 -4.185 407 HA3 GLY 60 2HA GLY 60 -14.888 -7.466 -2.945 408 H SER 61 H SER 61 -16.728 -7.029 -0.988 409 HA SER 61 HA SER 61 -19.361 -7.226 -2.250 410 HB2 SER 61 1HB SER 61 -19.854 -9.270 -0.874 411 HB3 SER 61 2HB SER 61 -18.663 -9.529 -2.148 412 HG SER 61 HG SER 61 -18.390 -9.965 0.445 413 H ARG 62 H ARG 62 -21.115 -7.353 -0.538 414 HA ARG 62 HA ARG 62 -22.207 -6.308 1.164 415 HB2 ARG 62 1HB ARG 62 -20.724 -7.934 2.416 416 HB3 ARG 62 2HB ARG 62 -19.620 -6.593 2.691 417 HG2 ARG 62 1HG ARG 62 -20.918 -6.770 4.640 418 HG3 ARG 62 2HG ARG 62 -21.564 -5.382 3.761 419 HD2 ARG 62 1HD ARG 62 -23.462 -6.559 4.449 420 HD3 ARG 62 2HD ARG 62 -23.246 -7.033 2.764 421 HE ARG 62 HE ARG 62 -21.933 -8.978 4.040 422 HH11 ARG 62 2HH1 ARG 62 -25.070 -7.575 4.597 423 HH12 ARG 62 1HH1 ARG 62 -25.751 -9.031 5.244 424 HH21 ARG 62 2HH2 ARG 62 -22.818 -10.901 4.890 425 HH22 ARG 62 1HH2 ARG 62 -24.469 -10.922 5.410 426 H HIS 63 H HIS 63 -21.394 -4.516 -0.641 427 HA HIS 63 HA HIS 63 -21.134 -2.128 0.900 428 HB2 HIS 63 1HB HIS 63 -18.729 -3.124 0.553 429 HB3 HIS 63 2HB HIS 63 -18.903 -2.464 -1.070 430 HD1 HIS 63 1HD HIS 63 -18.204 -0.104 -1.331 431 HD2 HIS 63 2HD HIS 63 -19.137 -1.017 2.613 432 HE1 HIS 63 1HE HIS 63 -17.648 1.964 -0.013 433 HE2 HIS 63 2HE HIS 63 -18.140 1.359 2.382 434 H LYS 64 H LYS 64 -21.282 -0.183 -0.437 435 HA LYS 64 HA LYS 64 -23.124 -0.543 -2.578 436 HB2 LYS 64 1HB LYS 64 -22.857 1.436 -0.891 437 HB3 LYS 64 2HB LYS 64 -21.700 2.046 -2.066 438 HG2 LYS 64 1HG LYS 64 -23.761 3.077 -2.558 439 HG3 LYS 64 2HG LYS 64 -23.517 1.842 -3.796 440 HD2 LYS 64 1HD LYS 64 -25.771 1.636 -3.138 441 HD3 LYS 64 2HD LYS 64 -24.925 0.313 -2.332 442 HE2 LYS 64 1HE LYS 64 -26.342 1.243 -0.698 443 HE3 LYS 64 2HE LYS 64 -24.731 1.855 -0.326 444 HZ1 LYS 64 1HZ LYS 64 -25.264 3.958 -1.087 445 HZ2 LYS 64 2HZ LYS 64 -26.696 3.480 -0.323 446 HZ3 LYS 64 3HZ LYS 64 -26.577 3.421 -2.010 447 H SER 65 H SER 65 -22.666 -0.998 -4.619 448 HA SER 65 HA SER 65 -19.963 -0.468 -5.623 449 HB2 SER 65 1HB SER 65 -20.313 -2.178 -7.218 450 HB3 SER 65 2HB SER 65 -21.044 -2.793 -5.736 451 HG SER 65 HG SER 65 -22.339 -2.999 -7.699 452 H GLY 66 H GLY 66 -19.608 0.581 -7.600 453 HA2 GLY 66 1HA GLY 66 -21.927 1.910 -8.822 454 HA3 GLY 66 2HA GLY 66 -20.585 2.893 -8.255 455 HA PRO 67 HA PRO 67 -19.936 1.596 -12.721 456 HB2 PRO 67 1HB PRO 67 -19.817 4.109 -13.740 457 HB3 PRO 67 2HB PRO 67 -21.329 3.207 -13.581 458 HG2 PRO 67 1HG PRO 67 -20.191 5.328 -11.800 459 HG3 PRO 67 2HG PRO 67 -21.861 5.111 -12.356 460 HD2 PRO 67 1HD PRO 67 -21.035 4.350 -9.892 461 HD3 PRO 67 2HD PRO 67 -22.308 3.489 -10.781 462 H SER 68 H SER 68 -18.133 2.559 -14.190 463 HA SER 68 HA SER 68 -15.775 2.938 -12.486 464 HB2 SER 68 1HB SER 68 -15.663 1.017 -13.977 465 HB3 SER 68 2HB SER 68 -16.007 2.043 -15.369 466 HG SER 68 HG SER 68 -13.649 1.586 -14.091 467 H SER 69 H SER 69 -16.184 5.195 -12.160 468 HA SER 69 HA SER 69 -16.421 7.061 -14.259 469 HB2 SER 69 1HB SER 69 -17.075 7.699 -12.031 470 HB3 SER 69 2HB SER 69 -15.455 7.382 -11.410 471 HG SER 69 HG SER 69 -16.082 9.655 -11.930 472 H GLY 70 H GLY 70 -13.593 6.355 -12.192 473 HA2 GLY 70 1HA GLY 70 -11.764 7.879 -13.682 474 HA3 GLY 70 2HA GLY 70 -11.343 6.569 -12.588 Start of MODEL 14 1 H1 GLY 1 H GLY 1 14.226 25.156 5.552 2 HA2 GLY 1 1HA GLY 1 15.531 25.398 7.499 3 HA3 GLY 1 2HA GLY 1 14.357 26.695 7.667 4 H SER 2 H SER 2 14.533 23.181 8.258 5 HA SER 2 HA SER 2 14.055 23.447 11.040 6 HB2 SER 2 1HB SER 2 11.798 22.393 11.093 7 HB3 SER 2 2HB SER 2 11.789 24.000 10.366 8 HG SER 2 HG SER 2 12.019 21.651 8.810 9 H SER 3 H SER 3 13.589 21.262 12.052 10 HA SER 3 HA SER 3 15.254 19.289 10.704 11 HB2 SER 3 1HB SER 3 15.323 18.147 12.854 12 HB3 SER 3 2HB SER 3 15.677 19.859 13.085 13 HG SER 3 HG SER 3 13.459 20.117 13.694 14 H GLY 4 H GLY 4 13.821 18.574 9.084 15 HA2 GLY 4 1HA GLY 4 11.855 16.640 10.075 16 HA3 GLY 4 2HA GLY 4 11.301 17.867 8.945 17 H SER 5 H SER 5 11.123 15.124 8.430 18 HA SER 5 HA SER 5 12.885 14.938 6.091 19 HB2 SER 5 1HB SER 5 12.444 12.805 8.180 20 HB3 SER 5 2HB SER 5 13.021 12.428 6.557 21 HG SER 5 HG SER 5 14.921 12.991 7.219 22 H SER 6 H SER 6 12.078 13.500 4.419 23 HA SER 6 HA SER 6 9.257 13.795 4.060 24 HB2 SER 6 1HB SER 6 11.232 13.751 2.299 25 HB3 SER 6 2HB SER 6 10.885 12.022 2.285 26 HG SER 6 HG SER 6 9.528 12.788 0.792 27 H GLY 7 H GLY 7 8.199 11.676 2.946 28 HA2 GLY 7 1HA GLY 7 8.805 9.179 4.166 29 HA3 GLY 7 2HA GLY 7 7.492 9.978 5.017 30 H TYR 8 H TYR 8 8.426 8.227 2.210 31 HA TYR 8 HA TYR 8 5.752 8.549 1.038 32 HB2 TYR 8 1HB TYR 8 8.420 7.787 -0.077 33 HB3 TYR 8 2HB TYR 8 6.965 7.207 -0.879 34 HD1 TYR 8 1HD TYR 8 8.825 10.240 0.121 35 HD2 TYR 8 2HD TYR 8 5.634 8.661 -2.209 36 HE1 TYR 8 1HE TYR 8 8.624 12.393 -1.052 37 HE2 TYR 8 2HE TYR 8 5.425 10.808 -3.389 38 HH TYR 8 HH TYR 8 7.425 12.912 -3.751 39 H CYS 9 H CYS 9 8.083 5.862 1.022 40 HA CYS 9 HA CYS 9 6.368 3.772 0.784 41 HB2 CYS 9 1HB CYS 9 8.827 3.555 0.829 42 HB3 CYS 9 2HB CYS 9 8.811 3.818 2.570 43 H ILE 10 H ILE 10 5.643 2.152 2.396 44 HA ILE 10 HA ILE 10 3.859 3.221 4.224 45 HB ILE 10 HB ILE 10 3.798 0.923 5.244 46 HG12 ILE 10 1HG1 ILE 10 5.749 0.219 3.048 47 HG13 ILE 10 2HG1 ILE 10 6.234 0.461 4.722 48 HG21 ILE 10 1HG2 ILE 10 2.703 1.829 2.978 49 HG22 ILE 10 2HG2 ILE 10 3.644 0.488 2.325 50 HG23 ILE 10 3HG2 ILE 10 2.443 0.193 3.583 51 HD11 ILE 10 1HD1 ILE 10 5.534 -1.919 3.625 52 HD12 ILE 10 2HD1 ILE 10 5.485 -1.546 5.348 53 HD13 ILE 10 3HD1 ILE 10 4.020 -1.414 4.375 54 H CYS 11 H CYS 11 7.235 2.509 4.587 55 HA CYS 11 HA CYS 11 7.200 2.626 7.470 56 HB2 CYS 11 1HB CYS 11 9.664 2.504 7.265 57 HB3 CYS 11 2HB CYS 11 8.853 1.222 6.372 58 H ASN 12 H ASN 12 6.505 4.930 5.444 59 HA ASN 12 HA ASN 12 6.736 7.197 5.321 60 HB2 ASN 12 1HB ASN 12 6.942 6.555 8.236 61 HB3 ASN 12 2HB ASN 12 7.195 8.216 7.709 62 HD21 ASN 12 1HD2 ASN 12 4.972 6.252 8.942 63 HD22 ASN 12 2HD2 ASN 12 3.531 6.941 8.283 64 H GLN 13 H GLN 13 8.953 6.109 4.331 65 HA GLN 13 HA GLN 13 11.115 7.772 5.441 66 HB2 GLN 13 1HB GLN 13 11.309 5.006 4.245 67 HB3 GLN 13 2HB GLN 13 12.701 6.029 4.575 68 HG2 GLN 13 1HG GLN 13 10.801 5.494 6.792 69 HG3 GLN 13 2HG GLN 13 11.879 4.196 6.280 70 HE21 GLN 13 1HE2 GLN 13 11.855 7.590 7.264 71 HE22 GLN 13 2HE2 GLN 13 13.399 7.560 8.039 72 H VAL 14 H VAL 14 12.754 8.425 3.857 73 HA VAL 14 HA VAL 14 11.658 9.666 1.624 74 HB VAL 14 HB VAL 14 14.042 9.907 0.833 75 HG11 VAL 14 1HG1 VAL 14 14.658 11.436 2.601 76 HG12 VAL 14 2HG1 VAL 14 12.919 11.533 2.316 77 HG13 VAL 14 3HG1 VAL 14 13.538 10.650 3.713 78 HG21 VAL 14 1HG2 VAL 14 14.399 7.879 2.903 79 HG22 VAL 14 2HG2 VAL 14 15.442 8.310 1.548 80 HG23 VAL 14 3HG2 VAL 14 15.514 9.238 3.046 81 H SER 15 H SER 15 12.180 9.321 -0.661 82 HA SER 15 HA SER 15 11.748 6.553 -1.382 83 HB2 SER 15 1HB SER 15 11.471 7.446 -3.678 84 HB3 SER 15 2HB SER 15 10.442 8.277 -2.512 85 HG SER 15 HG SER 15 12.976 9.338 -3.006 86 H TYR 16 H TYR 16 13.689 5.516 -0.957 87 HA TYR 16 HA TYR 16 15.882 6.206 -2.795 88 HB2 TYR 16 1HB TYR 16 17.523 5.775 -1.136 89 HB3 TYR 16 2HB TYR 16 16.332 6.820 -0.371 90 HD1 TYR 16 2HD TYR 16 14.751 5.886 1.288 91 HD2 TYR 16 1HD TYR 16 17.893 3.541 -0.364 92 HE1 TYR 16 2HE TYR 16 14.480 4.252 3.106 93 HE2 TYR 16 1HE TYR 16 17.630 1.900 1.449 94 HH TYR 16 HH TYR 16 14.956 1.871 3.526 95 H GLY 17 H GLY 17 17.444 4.311 -3.035 96 HA2 GLY 17 1HA GLY 17 17.789 2.167 -3.777 97 HA3 GLY 17 2HA GLY 17 16.724 1.674 -2.469 98 H GLU 18 H GLU 18 16.564 0.100 -4.540 99 HA GLU 18 HA GLU 18 14.933 0.831 -6.689 100 HB2 GLU 18 1HB GLU 18 15.266 -1.860 -5.352 101 HB3 GLU 18 2HB GLU 18 14.467 -1.609 -6.898 102 HG2 GLU 18 1HG GLU 18 16.651 -2.336 -7.384 103 HG3 GLU 18 2HG GLU 18 16.616 -0.608 -7.728 104 H MET 19 H MET 19 13.005 1.768 -6.462 105 HA MET 19 HA MET 19 11.151 0.703 -4.441 106 HB2 MET 19 1HB MET 19 11.201 3.387 -5.831 107 HB3 MET 19 2HB MET 19 9.941 2.865 -4.720 108 HG2 MET 19 1HG MET 19 12.024 2.463 -3.137 109 HG3 MET 19 2HG MET 19 12.731 3.697 -4.178 110 HE1 MET 19 1HE MET 19 9.917 3.237 -1.179 111 HE2 MET 19 2HE MET 19 8.746 4.255 -2.018 112 HE3 MET 19 3HE MET 19 9.361 2.795 -2.794 113 H VAL 20 H VAL 20 9.066 0.123 -5.000 114 HA VAL 20 HA VAL 20 8.613 -0.251 -7.884 115 HB VAL 20 HB VAL 20 8.699 -2.340 -6.627 116 HG11 VAL 20 1HG1 VAL 20 7.338 -0.867 -4.660 117 HG12 VAL 20 2HG1 VAL 20 6.238 -2.149 -5.171 118 HG13 VAL 20 3HG1 VAL 20 7.853 -2.552 -4.586 119 HG21 VAL 20 1HG2 VAL 20 7.295 -2.876 -8.290 120 HG22 VAL 20 2HG2 VAL 20 6.042 -2.830 -7.050 121 HG23 VAL 20 3HG2 VAL 20 6.326 -1.419 -8.069 122 H GLY 21 H GLY 21 7.416 1.401 -8.625 123 HA2 GLY 21 1HA GLY 21 5.561 2.875 -7.084 124 HA3 GLY 21 2HA GLY 21 5.693 2.903 -8.836 125 H CYS 22 H CYS 22 3.462 2.609 -6.656 126 HA CYS 22 HA CYS 22 2.185 0.145 -7.089 127 HB2 CYS 22 1HB CYS 22 1.625 1.687 -5.237 128 HB3 CYS 22 2HB CYS 22 0.923 2.807 -6.400 129 H ASP 23 H ASP 23 1.262 -0.647 -8.849 130 HA ASP 23 HA ASP 23 1.133 0.460 -11.319 131 HB2 ASP 23 1HB ASP 23 -0.451 -1.662 -9.964 132 HB3 ASP 23 2HB ASP 23 -1.058 -1.067 -11.507 133 H ASN 24 H ASN 24 -0.984 1.116 -8.650 134 HA ASN 24 HA ASN 24 -2.892 2.543 -10.325 135 HB2 ASN 24 1HB ASN 24 -3.567 1.096 -8.343 136 HB3 ASN 24 2HB ASN 24 -2.902 2.360 -7.312 137 HD21 ASN 24 1HD2 ASN 24 -4.674 3.179 -6.394 138 HD22 ASN 24 2HD2 ASN 24 -6.010 3.858 -7.253 139 H GLN 25 H GLN 25 -2.325 4.517 -10.962 140 HA GLN 25 HA GLN 25 -0.371 6.123 -9.750 141 HB2 GLN 25 1HB GLN 25 -1.297 7.945 -11.184 142 HB3 GLN 25 2HB GLN 25 -0.929 6.464 -12.059 143 HG2 GLN 25 1HG GLN 25 -3.469 5.957 -11.569 144 HG3 GLN 25 2HG GLN 25 -3.551 7.714 -11.456 145 HE21 GLN 25 1HE2 GLN 25 -2.519 8.891 -13.305 146 HE22 GLN 25 2HE2 GLN 25 -2.771 8.246 -14.888 147 H ASP 26 H ASP 26 -3.796 5.817 -9.198 148 HA ASP 26 HA ASP 26 -4.257 8.231 -7.838 149 HB2 ASP 26 1HB ASP 26 -5.902 6.348 -8.666 150 HB3 ASP 26 2HB ASP 26 -5.682 5.727 -7.032 151 H CYS 27 H CYS 27 -2.498 5.448 -6.936 152 HA CYS 27 HA CYS 27 -2.800 5.339 -4.186 153 HB2 CYS 27 1HB CYS 27 -1.380 3.871 -5.805 154 HB3 CYS 27 2HB CYS 27 -0.094 5.019 -5.448 155 HA PRO 28 HA PRO 28 -1.255 9.240 -2.799 156 HB2 PRO 28 1HB PRO 28 -0.995 8.606 -0.172 157 HB3 PRO 28 2HB PRO 28 -2.559 8.910 -0.936 158 HG2 PRO 28 1HG PRO 28 -1.233 6.301 -0.309 159 HG3 PRO 28 2HG PRO 28 -2.928 6.774 -0.094 160 HD2 PRO 28 1HD PRO 28 -2.089 5.274 -2.186 161 HD3 PRO 28 2HD PRO 28 -3.440 6.419 -2.313 162 H ILE 29 H ILE 29 0.432 6.242 -2.518 163 HA ILE 29 HA ILE 29 2.916 7.662 -1.820 164 HB ILE 29 HB ILE 29 2.467 4.684 -1.667 165 HG12 ILE 29 1HG1 ILE 29 2.196 6.779 0.499 166 HG13 ILE 29 2HG1 ILE 29 0.914 5.751 -0.134 167 HG21 ILE 29 1HG2 ILE 29 4.796 5.430 -1.845 168 HG22 ILE 29 2HG2 ILE 29 4.567 6.460 -0.432 169 HG23 ILE 29 3HG2 ILE 29 4.458 4.707 -0.272 170 HD11 ILE 29 1HD1 ILE 29 2.356 3.798 0.684 171 HD12 ILE 29 2HD1 ILE 29 3.215 5.017 1.626 172 HD13 ILE 29 3HD1 ILE 29 1.489 4.760 1.880 173 H GLU 30 H GLU 30 1.599 5.122 -3.929 174 HA GLU 30 HA GLU 30 2.390 4.203 -5.869 175 HB2 GLU 30 1HB GLU 30 1.597 6.563 -6.464 176 HB3 GLU 30 2HB GLU 30 3.298 7.002 -6.512 177 HG2 GLU 30 1HG GLU 30 3.431 4.920 -8.123 178 HG3 GLU 30 2HG GLU 30 1.725 5.293 -8.357 179 H TRP 31 H TRP 31 4.307 4.374 -3.620 180 HA TRP 31 HA TRP 31 6.636 3.554 -5.060 181 HB2 TRP 31 1HB TRP 31 6.709 6.148 -3.514 182 HB3 TRP 31 2HB TRP 31 8.156 5.238 -3.941 183 HD1 TRP 31 HD TRP 31 5.664 7.680 -5.345 184 HE1 TRP 31 1HE TRP 31 6.304 8.269 -7.767 185 HE3 TRP 31 3HE TRP 31 9.261 4.131 -6.119 186 HZ2 TRP 31 2HZ TRP 31 8.096 7.350 -9.745 187 HZ3 TRP 31 3HZ TRP 31 10.390 4.053 -8.304 188 HH2 TRP 31 HH TRP 31 9.818 5.630 -10.079 189 H PHE 32 H PHE 32 7.081 1.761 -3.967 190 HA PHE 32 HA PHE 32 7.329 1.932 -1.046 191 HB2 PHE 32 1HB PHE 32 6.005 -0.339 -2.544 192 HB3 PHE 32 2HB PHE 32 6.298 -0.286 -0.809 193 HD1 PHE 32 1HD PHE 32 4.544 1.540 -3.531 194 HD2 PHE 32 2HD PHE 32 4.683 0.569 0.610 195 HE1 PHE 32 1HE PHE 32 2.368 2.641 -3.204 196 HE2 PHE 32 2HE PHE 32 2.507 1.667 0.944 197 HZ PHE 32 HZ PHE 32 1.346 2.705 -0.964 198 H HIS 33 H HIS 33 8.916 0.637 -0.126 199 HA HIS 33 HA HIS 33 11.126 0.014 -1.805 200 HB2 HIS 33 1HB HIS 33 10.670 -0.705 1.099 201 HB3 HIS 33 2HB HIS 33 12.213 -0.760 0.252 202 HD2 HIS 33 2HD HIS 33 11.792 2.290 -1.156 203 HE1 HIS 33 1HE HIS 33 11.882 3.520 2.903 204 HE2 HIS 33 2HE HIS 33 12.019 4.263 0.500 205 H TYR 34 H TYR 34 12.105 -2.023 -2.168 206 HA TYR 34 HA TYR 34 10.266 -4.093 -2.793 207 HB2 TYR 34 1HB TYR 34 13.243 -3.797 -2.922 208 HB3 TYR 34 2HB TYR 34 12.524 -5.389 -3.137 209 HD1 TYR 34 2HD TYR 34 11.162 -2.123 -4.268 210 HD2 TYR 34 1HD TYR 34 12.940 -5.817 -5.407 211 HE1 TYR 34 2HE TYR 34 10.721 -1.600 -6.631 212 HE2 TYR 34 1HE TYR 34 12.505 -5.304 -7.773 213 HH TYR 34 HH TYR 34 11.694 -3.833 -9.219 214 H GLY 35 H GLY 35 12.456 -3.505 -0.120 215 HA2 GLY 35 1HA GLY 35 12.165 -6.152 0.986 216 HA3 GLY 35 2HA GLY 35 12.962 -4.783 1.747 217 H CYS 36 H CYS 36 10.536 -3.096 1.320 218 HA CYS 36 HA CYS 36 9.258 -3.725 3.806 219 HB2 CYS 36 1HB CYS 36 8.984 -1.555 1.760 220 HB3 CYS 36 2HB CYS 36 7.725 -1.760 2.973 221 H VAL 37 H VAL 37 8.461 -4.062 0.406 222 HA VAL 37 HA VAL 37 5.796 -5.073 1.070 223 HB VAL 37 HB VAL 37 5.296 -4.975 -1.278 224 HG11 VAL 37 1HG1 VAL 37 4.979 -2.878 -0.284 225 HG12 VAL 37 2HG1 VAL 37 6.713 -2.566 -0.179 226 HG13 VAL 37 3HG1 VAL 37 5.903 -2.535 -1.746 227 HG21 VAL 37 1HG2 VAL 37 8.245 -4.491 -1.601 228 HG22 VAL 37 2HG2 VAL 37 7.257 -5.763 -2.320 229 HG23 VAL 37 3HG2 VAL 37 7.078 -4.095 -2.863 230 H GLY 38 H GLY 38 8.931 -6.135 0.019 231 HA2 GLY 38 1HA GLY 38 9.674 -8.369 0.258 232 HA3 GLY 38 2HA GLY 38 8.002 -8.907 0.190 233 H LEU 39 H LEU 39 10.578 -7.486 -1.793 234 HA LEU 39 HA LEU 39 9.722 -9.182 -4.011 235 HB2 LEU 39 1HB LEU 39 9.917 -6.192 -4.067 236 HB3 LEU 39 2HB LEU 39 10.157 -7.145 -5.530 237 HG LEU 39 HG LEU 39 7.650 -7.279 -3.865 238 HD11 LEU 39 1HD1 LEU 39 7.921 -5.004 -4.668 239 HD12 LEU 39 2HD1 LEU 39 6.634 -5.822 -5.554 240 HD13 LEU 39 3HD1 LEU 39 8.214 -5.597 -6.303 241 HD21 LEU 39 1HD2 LEU 39 6.699 -8.381 -5.742 242 HD22 LEU 39 2HD2 LEU 39 8.235 -9.179 -5.402 243 HD23 LEU 39 3HD2 LEU 39 8.111 -8.038 -6.742 244 H THR 40 H THR 40 11.370 -9.882 -5.303 245 HA THR 40 HA THR 40 14.076 -9.156 -4.426 246 HB THR 40 HB THR 40 14.789 -11.244 -5.584 247 HG1 THR 40 1HG THR 40 12.595 -11.129 -6.831 248 HG21 THR 40 1HG2 THR 40 13.135 -11.039 -3.206 249 HG22 THR 40 2HG2 THR 40 14.605 -11.975 -3.478 250 HG23 THR 40 3HG2 THR 40 13.039 -12.638 -3.943 251 H GLU 41 H GLU 41 11.897 -8.827 -7.032 252 HA GLU 41 HA GLU 41 13.712 -7.223 -8.518 253 HB2 GLU 41 1HB GLU 41 14.041 -8.541 -10.461 254 HB3 GLU 41 2HB GLU 41 14.461 -9.570 -9.099 255 HG2 GLU 41 1HG GLU 41 11.686 -9.674 -10.158 256 HG3 GLU 41 2HG GLU 41 12.977 -10.451 -11.073 257 H ALA 42 H ALA 42 12.720 -6.388 -10.530 258 HA ALA 42 HA ALA 42 10.215 -5.360 -10.171 259 HB1 ALA 42 1HB ALA 42 11.102 -6.008 -12.948 260 HB2 ALA 42 2HB ALA 42 10.327 -4.550 -12.328 261 HB3 ALA 42 3HB ALA 42 12.026 -4.865 -11.973 262 HA PRO 43 HA PRO 43 7.540 -8.873 -10.643 263 HB2 PRO 43 1HB PRO 43 5.204 -7.493 -10.549 264 HB3 PRO 43 2HB PRO 43 6.175 -7.836 -9.113 265 HG2 PRO 43 1HG PRO 43 6.028 -5.332 -10.747 266 HG3 PRO 43 2HG PRO 43 6.064 -5.517 -8.983 267 HD2 PRO 43 1HD PRO 43 8.256 -4.844 -10.423 268 HD3 PRO 43 2HD PRO 43 8.350 -5.808 -8.935 269 H LYS 44 H LYS 44 7.842 -9.600 -12.721 270 HA LYS 44 HA LYS 44 7.549 -8.398 -15.119 271 HB2 LYS 44 1HB LYS 44 6.670 -11.179 -14.339 272 HB3 LYS 44 2HB LYS 44 6.752 -10.624 -16.005 273 HG2 LYS 44 1HG LYS 44 9.221 -9.993 -15.280 274 HG3 LYS 44 2HG LYS 44 8.933 -11.284 -14.111 275 HD2 LYS 44 1HD LYS 44 8.078 -12.597 -16.198 276 HD3 LYS 44 2HD LYS 44 9.025 -11.409 -17.097 277 HE2 LYS 44 1HE LYS 44 10.627 -13.001 -16.789 278 HE3 LYS 44 2HE LYS 44 10.864 -12.071 -15.310 279 HZ1 LYS 44 1HZ LYS 44 9.989 -13.706 -14.031 280 HZ2 LYS 44 2HZ LYS 44 10.566 -14.677 -15.289 281 HZ3 LYS 44 3HZ LYS 44 8.929 -14.257 -15.228 282 H GLY 45 H GLY 45 4.869 -9.923 -13.326 283 HA2 GLY 45 1HA GLY 45 2.904 -8.961 -15.195 284 HA3 GLY 45 2HA GLY 45 2.586 -9.791 -13.679 285 H LYS 46 H LYS 46 0.975 -8.418 -12.990 286 HA LYS 46 HA LYS 46 1.623 -5.579 -12.693 287 HB2 LYS 46 1HB LYS 46 -0.968 -7.102 -12.384 288 HB3 LYS 46 2HB LYS 46 -0.800 -5.385 -12.042 289 HG2 LYS 46 1HG LYS 46 -0.014 -6.473 -14.712 290 HG3 LYS 46 2HG LYS 46 -1.707 -6.142 -14.339 291 HD2 LYS 46 1HD LYS 46 0.284 -4.026 -13.721 292 HD3 LYS 46 2HD LYS 46 -0.110 -4.311 -15.417 293 HE2 LYS 46 1HE LYS 46 -2.361 -4.094 -13.495 294 HE3 LYS 46 2HE LYS 46 -1.486 -2.617 -13.896 295 HZ1 LYS 46 1HZ LYS 46 -3.518 -3.412 -15.315 296 HZ2 LYS 46 2HZ LYS 46 -2.350 -4.361 -16.086 297 HZ3 LYS 46 3HZ LYS 46 -2.183 -2.678 -16.051 298 H TRP 47 H TRP 47 1.929 -4.610 -10.763 299 HA TRP 47 HA TRP 47 1.625 -6.276 -8.350 300 HB2 TRP 47 1HB TRP 47 3.992 -5.978 -8.903 301 HB3 TRP 47 2HB TRP 47 3.777 -4.230 -8.932 302 HD1 TRP 47 HD TRP 47 4.104 -7.167 -6.519 303 HE1 TRP 47 1HE TRP 47 4.513 -6.251 -4.149 304 HE3 TRP 47 3HE TRP 47 3.323 -2.197 -7.425 305 HZ2 TRP 47 2HZ TRP 47 4.504 -3.752 -2.837 306 HZ3 TRP 47 3HZ TRP 47 3.542 -0.609 -5.558 307 HH2 TRP 47 HH TRP 47 4.120 -1.372 -3.312 308 H TYR 48 H TYR 48 0.665 -5.372 -6.593 309 HA TYR 48 HA TYR 48 -0.020 -2.517 -6.710 310 HB2 TYR 48 1HB TYR 48 -1.923 -4.791 -6.125 311 HB3 TYR 48 2HB TYR 48 -2.294 -3.096 -5.831 312 HD1 TYR 48 1HD TYR 48 -2.229 -1.506 -7.839 313 HD2 TYR 48 2HD TYR 48 -2.314 -5.742 -8.226 314 HE1 TYR 48 1HE TYR 48 -3.024 -1.272 -10.155 315 HE2 TYR 48 2HE TYR 48 -3.108 -5.520 -10.543 316 HH TYR 48 HH TYR 48 -4.450 -2.899 -11.784 317 H CYS 49 H CYS 49 0.567 -1.502 -4.919 318 HA CYS 49 HA CYS 49 1.846 -2.590 -2.765 319 HB2 CYS 49 1HB CYS 49 1.624 -0.515 -1.682 320 HB3 CYS 49 2HB CYS 49 1.538 -0.119 -3.395 321 HA PRO 50 HA PRO 50 -1.069 -4.615 -0.185 322 HB2 PRO 50 1HB PRO 50 -0.079 -4.066 2.283 323 HB3 PRO 50 2HB PRO 50 0.698 -5.193 1.165 324 HG2 PRO 50 1HG PRO 50 1.364 -2.331 1.739 325 HG3 PRO 50 2HG PRO 50 2.455 -3.715 1.539 326 HD2 PRO 50 1HD PRO 50 2.006 -1.916 -0.435 327 HD3 PRO 50 2HD PRO 50 2.346 -3.628 -0.762 328 H GLN 51 H GLN 51 -0.691 -1.232 -0.098 329 HA GLN 51 HA GLN 51 -2.682 -0.731 1.928 330 HB2 GLN 51 1HB GLN 51 -0.950 0.923 0.167 331 HB3 GLN 51 2HB GLN 51 -2.439 1.657 0.748 332 HG2 GLN 51 1HG GLN 51 -1.761 1.166 3.056 333 HG3 GLN 51 2HG GLN 51 -0.251 0.486 2.451 334 HE21 GLN 51 1HE2 GLN 51 -2.032 3.375 1.457 335 HE22 GLN 51 2HE2 GLN 51 -0.757 4.491 1.792 336 H CYS 52 H CYS 52 -2.556 -1.012 -1.545 337 HA CYS 52 HA CYS 52 -5.246 0.030 -1.885 338 HB2 CYS 52 1HB CYS 52 -3.141 -1.001 -3.772 339 HB3 CYS 52 2HB CYS 52 -4.793 -0.726 -4.314 340 H THR 53 H THR 53 -3.599 -3.039 -2.662 341 HA THR 53 HA THR 53 -5.708 -4.584 -3.406 342 HB THR 53 HB THR 53 -3.513 -5.544 -1.561 343 HG1 THR 53 1HG THR 53 -2.533 -6.088 -3.675 344 HG21 THR 53 1HG2 THR 53 -5.723 -6.890 -2.599 345 HG22 THR 53 2HG2 THR 53 -4.272 -7.615 -1.906 346 HG23 THR 53 3HG2 THR 53 -4.381 -7.351 -3.646 347 H ALA 54 H ALA 54 -4.898 -3.558 -0.155 348 HA ALA 54 HA ALA 54 -6.713 -5.299 1.186 349 HB1 ALA 54 1HB ALA 54 -6.398 -3.359 2.983 350 HB2 ALA 54 2HB ALA 54 -5.160 -4.576 2.675 351 HB3 ALA 54 3HB ALA 54 -5.030 -2.980 1.936 352 H ALA 55 H ALA 55 -6.913 -2.008 -0.066 353 HA ALA 55 HA ALA 55 -9.515 -1.508 1.033 354 HB1 ALA 55 1HB ALA 55 -8.071 0.362 0.652 355 HB2 ALA 55 2HB ALA 55 -7.904 -0.051 -1.055 356 HB3 ALA 55 3HB ALA 55 -9.456 0.507 -0.430 357 H MET 56 H MET 56 -8.256 -2.348 -2.178 358 HA MET 56 HA MET 56 -10.709 -2.268 -3.544 359 HB2 MET 56 1HB MET 56 -8.229 -3.905 -4.101 360 HB3 MET 56 2HB MET 56 -9.572 -3.717 -5.221 361 HG2 MET 56 1HG MET 56 -9.128 -1.195 -4.993 362 HG3 MET 56 2HG MET 56 -7.574 -1.684 -4.321 363 HE1 MET 56 1HE MET 56 -6.540 -3.846 -5.414 364 HE2 MET 56 2HE MET 56 -6.264 -3.995 -7.149 365 HE3 MET 56 3HE MET 56 -5.450 -2.727 -6.232 366 H LYS 57 H LYS 57 -9.140 -4.799 -1.676 367 HA LYS 57 HA LYS 57 -10.829 -6.928 -2.433 368 HB2 LYS 57 1HB LYS 57 -8.943 -6.403 -0.186 369 HB3 LYS 57 2HB LYS 57 -10.082 -7.731 -0.008 370 HG2 LYS 57 1HG LYS 57 -9.217 -8.448 -2.346 371 HG3 LYS 57 2HG LYS 57 -7.846 -7.404 -1.959 372 HD2 LYS 57 1HD LYS 57 -8.827 -9.606 -0.150 373 HD3 LYS 57 2HD LYS 57 -7.555 -9.828 -1.354 374 HE2 LYS 57 1HE LYS 57 -6.409 -7.834 -0.218 375 HE3 LYS 57 2HE LYS 57 -7.539 -8.107 1.107 376 HZ1 LYS 57 1HZ LYS 57 -5.153 -9.303 0.881 377 HZ2 LYS 57 2HZ LYS 57 -6.157 -10.473 0.185 378 HZ3 LYS 57 3HZ LYS 57 -6.452 -9.935 1.762 379 H ARG 58 H ARG 58 -10.957 -4.666 0.302 380 HA ARG 58 HA ARG 58 -13.121 -5.701 1.668 381 HB2 ARG 58 1HB ARG 58 -12.195 -2.861 1.280 382 HB3 ARG 58 2HB ARG 58 -13.558 -3.262 2.316 383 HG2 ARG 58 1HG ARG 58 -11.976 -4.839 3.527 384 HG3 ARG 58 2HG ARG 58 -10.678 -4.029 2.648 385 HD2 ARG 58 1HD ARG 58 -11.298 -1.903 3.610 386 HD3 ARG 58 2HD ARG 58 -12.698 -2.632 4.396 387 HE ARG 58 HE ARG 58 -10.022 -2.628 5.350 388 HH11 ARG 58 2HH1 ARG 58 -12.922 -4.550 5.232 389 HH12 ARG 58 1HH1 ARG 58 -12.563 -5.417 6.689 390 HH21 ARG 58 2HH2 ARG 58 -9.538 -3.762 7.270 391 HH22 ARG 58 1HH2 ARG 58 -10.639 -4.967 7.847 392 H ARG 59 H ARG 59 -13.070 -3.736 -1.243 393 HA ARG 59 HA ARG 59 -15.979 -3.560 -1.283 394 HB2 ARG 59 1HB ARG 59 -13.804 -2.391 -3.009 395 HB3 ARG 59 2HB ARG 59 -15.502 -2.296 -3.459 396 HG2 ARG 59 1HG ARG 59 -16.010 -0.822 -1.782 397 HG3 ARG 59 2HG ARG 59 -14.683 -1.366 -0.755 398 HD2 ARG 59 1HD ARG 59 -13.103 -0.340 -2.406 399 HD3 ARG 59 2HD ARG 59 -14.504 0.347 -3.226 400 HE ARG 59 HE ARG 59 -13.322 1.244 -0.763 401 HH11 ARG 59 2HH1 ARG 59 -16.218 1.174 -2.694 402 HH12 ARG 59 1HH1 ARG 59 -16.891 2.597 -1.970 403 HH21 ARG 59 2HH2 ARG 59 -14.198 3.118 0.197 404 HH22 ARG 59 1HH2 ARG 59 -15.741 3.703 -0.326 405 H GLY 60 H GLY 60 -14.478 -6.125 -1.617 406 HA2 GLY 60 1HA GLY 60 -14.913 -6.850 -4.391 407 HA3 GLY 60 2HA GLY 60 -14.305 -7.899 -3.119 408 H SER 61 H SER 61 -15.711 -9.158 -1.953 409 HA SER 61 HA SER 61 -18.276 -9.620 -3.173 410 HB2 SER 61 1HB SER 61 -18.454 -11.459 -1.504 411 HB3 SER 61 2HB SER 61 -16.961 -11.528 -2.440 412 HG SER 61 HG SER 61 -16.387 -11.808 -0.330 413 H ARG 62 H ARG 62 -17.317 -9.029 0.215 414 HA ARG 62 HA ARG 62 -19.986 -8.239 0.928 415 HB2 ARG 62 1HB ARG 62 -19.262 -8.257 3.115 416 HB3 ARG 62 2HB ARG 62 -18.114 -9.371 2.383 417 HG2 ARG 62 1HG ARG 62 -17.539 -6.445 2.747 418 HG3 ARG 62 2HG ARG 62 -17.156 -7.663 3.965 419 HD2 ARG 62 1HD ARG 62 -16.018 -8.846 1.887 420 HD3 ARG 62 2HD ARG 62 -15.942 -7.188 1.294 421 HE ARG 62 HE ARG 62 -14.196 -6.876 2.713 422 HH11 ARG 62 2HH1 ARG 62 -16.234 -9.372 4.031 423 HH12 ARG 62 1HH1 ARG 62 -15.219 -9.656 5.406 424 HH21 ARG 62 2HH2 ARG 62 -12.852 -7.240 4.520 425 HH22 ARG 62 1HH2 ARG 62 -13.296 -8.442 5.684 426 H HIS 63 H HIS 63 -20.486 -6.158 1.942 427 HA HIS 63 HA HIS 63 -19.528 -3.986 0.320 428 HB2 HIS 63 1HB HIS 63 -21.499 -4.064 2.612 429 HB3 HIS 63 2HB HIS 63 -21.154 -2.630 1.649 430 HD1 HIS 63 1HD HIS 63 -22.643 -6.087 1.305 431 HD2 HIS 63 2HD HIS 63 -22.538 -2.456 -0.712 432 HE1 HIS 63 1HE HIS 63 -24.313 -6.306 -0.562 433 HE2 HIS 63 2HE HIS 63 -24.170 -4.129 -1.820 434 H LYS 64 H LYS 64 -19.219 -1.803 1.624 435 HA LYS 64 HA LYS 64 -17.093 -2.334 3.592 436 HB2 LYS 64 1HB LYS 64 -16.154 -0.156 2.931 437 HB3 LYS 64 2HB LYS 64 -16.276 -1.259 1.566 438 HG2 LYS 64 1HG LYS 64 -17.064 0.660 0.620 439 HG3 LYS 64 2HG LYS 64 -18.574 -0.047 1.199 440 HD2 LYS 64 1HD LYS 64 -18.458 1.340 3.208 441 HD3 LYS 64 2HD LYS 64 -16.935 2.034 2.647 442 HE2 LYS 64 1HE LYS 64 -18.795 3.536 2.183 443 HE3 LYS 64 2HE LYS 64 -18.076 2.947 0.685 444 HZ1 LYS 64 1HZ LYS 64 -19.871 1.300 0.553 445 HZ2 LYS 64 2HZ LYS 64 -20.460 2.885 0.528 446 HZ3 LYS 64 3HZ LYS 64 -20.580 1.961 1.940 447 H SER 65 H SER 65 -16.758 -0.511 5.180 448 HA SER 65 HA SER 65 -19.199 -0.064 6.587 449 HB2 SER 65 1HB SER 65 -17.130 -0.439 7.813 450 HB3 SER 65 2HB SER 65 -16.406 0.994 7.085 451 HG SER 65 HG SER 65 -18.755 1.616 8.244 452 H GLY 66 H GLY 66 -20.529 1.638 6.546 453 HA2 GLY 66 1HA GLY 66 -20.762 4.079 6.518 454 HA3 GLY 66 2HA GLY 66 -19.573 4.101 5.224 455 HA PRO 67 HA PRO 67 -24.137 3.429 3.762 456 HB2 PRO 67 1HB PRO 67 -25.154 5.946 3.796 457 HB3 PRO 67 2HB PRO 67 -25.331 4.820 5.147 458 HG2 PRO 67 1HG PRO 67 -23.380 7.063 4.794 459 HG3 PRO 67 2HG PRO 67 -24.304 6.600 6.235 460 HD2 PRO 67 1HD PRO 67 -21.700 5.938 5.899 461 HD3 PRO 67 2HD PRO 67 -22.842 4.904 6.782 462 H SER 68 H SER 68 -24.246 3.386 1.607 463 HA SER 68 HA SER 68 -22.348 4.684 -0.025 464 HB2 SER 68 1HB SER 68 -24.760 2.999 -0.492 465 HB3 SER 68 2HB SER 68 -24.150 3.944 -1.850 466 HG SER 68 HG SER 68 -23.210 1.655 -0.884 467 H SER 69 H SER 69 -22.385 6.886 0.135 468 HA SER 69 HA SER 69 -24.838 8.218 -0.815 469 HB2 SER 69 1HB SER 69 -22.958 8.938 1.401 470 HB3 SER 69 2HB SER 69 -23.776 10.228 0.520 471 HG SER 69 HG SER 69 -25.286 8.063 1.454 472 H GLY 70 H GLY 70 -24.164 8.210 -2.972 473 HA2 GLY 70 1HA GLY 70 -22.393 10.377 -3.665 474 HA3 GLY 70 2HA GLY 70 -21.756 8.794 -4.086 Start of MODEL 15 1 H1 GLY 1 H GLY 1 18.336 9.681 13.401 2 HA2 GLY 1 1HA GLY 1 18.413 12.157 15.015 3 HA3 GLY 1 2HA GLY 1 19.262 11.993 13.485 4 H SER 2 H SER 2 18.235 12.530 11.651 5 HA SER 2 HA SER 2 15.380 13.218 11.874 6 HB2 SER 2 1HB SER 2 17.457 14.325 9.968 7 HB3 SER 2 2HB SER 2 15.768 14.823 10.053 8 HG SER 2 HG SER 2 16.196 15.987 11.759 9 H SER 3 H SER 3 14.771 11.035 11.397 10 HA SER 3 HA SER 3 15.363 10.110 8.680 11 HB2 SER 3 1HB SER 3 14.535 7.946 9.394 12 HB3 SER 3 2HB SER 3 15.691 8.535 10.588 13 HG SER 3 HG SER 3 14.146 8.663 12.024 14 H GLY 4 H GLY 4 13.953 10.480 7.110 15 HA2 GLY 4 1HA GLY 4 11.734 10.178 6.212 16 HA3 GLY 4 2HA GLY 4 11.088 10.603 7.790 17 H SER 5 H SER 5 12.526 11.830 4.847 18 HA SER 5 HA SER 5 12.172 14.591 5.687 19 HB2 SER 5 1HB SER 5 14.155 13.775 4.317 20 HB3 SER 5 2HB SER 5 13.038 13.619 2.961 21 HG SER 5 HG SER 5 12.521 15.915 3.456 22 H SER 6 H SER 6 11.046 12.538 2.997 23 HA SER 6 HA SER 6 8.728 14.332 2.713 24 HB2 SER 6 1HB SER 6 10.005 12.463 0.703 25 HB3 SER 6 2HB SER 6 8.528 13.381 0.413 26 HG SER 6 HG SER 6 10.880 14.215 -0.102 27 H GLY 7 H GLY 7 9.669 11.310 3.826 28 HA2 GLY 7 1HA GLY 7 8.542 9.345 4.281 29 HA3 GLY 7 2HA GLY 7 7.283 10.458 4.795 30 H TYR 8 H TYR 8 8.337 8.254 2.349 31 HA TYR 8 HA TYR 8 5.823 8.692 0.877 32 HB2 TYR 8 1HB TYR 8 8.570 7.941 -0.004 33 HB3 TYR 8 2HB TYR 8 7.208 7.268 -0.893 34 HD1 TYR 8 1HD TYR 8 9.026 10.335 -0.040 35 HD2 TYR 8 2HD TYR 8 5.777 8.688 -2.238 36 HE1 TYR 8 1HE TYR 8 8.843 12.425 -1.323 37 HE2 TYR 8 2HE TYR 8 5.586 10.773 -3.529 38 HH TYR 8 HH TYR 8 7.607 12.817 -4.034 39 H CYS 9 H CYS 9 8.100 5.967 1.044 40 HA CYS 9 HA CYS 9 6.312 3.924 0.740 41 HB2 CYS 9 1HB CYS 9 8.761 3.628 0.793 42 HB3 CYS 9 2HB CYS 9 8.749 3.892 2.533 43 H ILE 10 H ILE 10 5.529 2.321 2.341 44 HA ILE 10 HA ILE 10 3.763 3.426 4.160 45 HB ILE 10 HB ILE 10 3.778 1.090 5.229 46 HG12 ILE 10 1HG1 ILE 10 5.371 0.377 2.772 47 HG13 ILE 10 2HG1 ILE 10 6.143 0.657 4.329 48 HG21 ILE 10 1HG2 ILE 10 2.753 2.076 2.756 49 HG22 ILE 10 2HG2 ILE 10 3.122 0.362 2.583 50 HG23 ILE 10 3HG2 ILE 10 2.039 0.905 3.864 51 HD11 ILE 10 1HD1 ILE 10 3.998 -1.392 3.836 52 HD12 ILE 10 2HD1 ILE 10 5.731 -1.724 3.838 53 HD13 ILE 10 3HD1 ILE 10 4.937 -1.167 5.312 54 H CYS 11 H CYS 11 7.116 2.578 4.569 55 HA CYS 11 HA CYS 11 7.075 2.707 7.439 56 HB2 CYS 11 1HB CYS 11 9.546 2.598 7.232 57 HB3 CYS 11 2HB CYS 11 8.731 1.314 6.346 58 H ASN 12 H ASN 12 6.427 5.039 5.406 59 HA ASN 12 HA ASN 12 6.613 7.308 5.354 60 HB2 ASN 12 1HB ASN 12 7.159 6.769 8.276 61 HB3 ASN 12 2HB ASN 12 6.960 8.391 7.619 62 HD21 ASN 12 1HD2 ASN 12 4.924 8.740 6.370 63 HD22 ASN 12 2HD2 ASN 12 3.483 8.013 6.988 64 H GLN 13 H GLN 13 8.806 6.183 4.290 65 HA GLN 13 HA GLN 13 10.989 7.891 5.283 66 HB2 GLN 13 1HB GLN 13 11.193 5.084 4.183 67 HB3 GLN 13 2HB GLN 13 12.573 6.133 4.480 68 HG2 GLN 13 1HG GLN 13 10.700 5.666 6.726 69 HG3 GLN 13 2HG GLN 13 11.748 4.335 6.238 70 HE21 GLN 13 1HE2 GLN 13 11.886 7.805 6.953 71 HE22 GLN 13 2HE2 GLN 13 13.405 7.751 7.773 72 H VAL 14 H VAL 14 12.524 8.580 3.658 73 HA VAL 14 HA VAL 14 11.349 9.642 1.375 74 HB VAL 14 HB VAL 14 13.700 9.994 0.554 75 HG11 VAL 14 1HG1 VAL 14 14.240 11.631 2.226 76 HG12 VAL 14 2HG1 VAL 14 12.486 11.579 2.040 77 HG13 VAL 14 3HG1 VAL 14 13.250 10.799 3.425 78 HG21 VAL 14 1HG2 VAL 14 15.221 8.534 1.293 79 HG22 VAL 14 2HG2 VAL 14 15.222 9.468 2.789 80 HG23 VAL 14 3HG2 VAL 14 14.206 8.034 2.646 81 H SER 15 H SER 15 11.985 9.226 -0.903 82 HA SER 15 HA SER 15 11.645 6.409 -1.491 83 HB2 SER 15 1HB SER 15 11.601 8.908 -3.178 84 HB3 SER 15 2HB SER 15 11.545 7.297 -3.894 85 HG SER 15 HG SER 15 9.740 8.143 -1.884 86 H TYR 16 H TYR 16 13.565 5.379 -1.112 87 HA TYR 16 HA TYR 16 15.810 6.170 -2.845 88 HB2 TYR 16 1HB TYR 16 17.391 5.647 -1.148 89 HB3 TYR 16 2HB TYR 16 16.174 6.665 -0.386 90 HD1 TYR 16 1HD TYR 16 17.214 3.122 -0.817 91 HD2 TYR 16 2HD TYR 16 15.033 5.927 1.524 92 HE1 TYR 16 1HE TYR 16 16.871 1.405 0.911 93 HE2 TYR 16 2HE TYR 16 14.685 4.218 3.258 94 HH TYR 16 HH TYR 16 14.991 2.100 3.844 95 H GLY 17 H GLY 17 17.427 4.274 -3.036 96 HA2 GLY 17 1HA GLY 17 17.779 2.208 -3.982 97 HA3 GLY 17 2HA GLY 17 16.786 1.623 -2.655 98 H GLU 18 H GLU 18 16.507 0.072 -4.660 99 HA GLU 18 HA GLU 18 14.852 0.795 -6.792 100 HB2 GLU 18 1HB GLU 18 15.586 -1.766 -5.464 101 HB3 GLU 18 2HB GLU 18 14.197 -1.778 -6.541 102 HG2 GLU 18 1HG GLU 18 15.893 -0.532 -8.144 103 HG3 GLU 18 2HG GLU 18 17.070 -1.389 -7.150 104 H MET 19 H MET 19 12.853 1.557 -6.750 105 HA MET 19 HA MET 19 11.027 0.598 -4.644 106 HB2 MET 19 1HB MET 19 11.202 3.327 -5.926 107 HB3 MET 19 2HB MET 19 9.862 2.813 -4.909 108 HG2 MET 19 1HG MET 19 11.825 2.261 -3.228 109 HG3 MET 19 2HG MET 19 12.654 3.491 -4.179 110 HE1 MET 19 1HE MET 19 8.729 4.191 -1.862 111 HE2 MET 19 2HE MET 19 8.935 2.997 -3.143 112 HE3 MET 19 3HE MET 19 9.748 2.777 -1.593 113 H VAL 20 H VAL 20 8.973 0.001 -5.226 114 HA VAL 20 HA VAL 20 8.489 -0.226 -8.117 115 HB VAL 20 HB VAL 20 8.545 -2.366 -6.967 116 HG11 VAL 20 1HG1 VAL 20 7.792 -2.605 -4.894 117 HG12 VAL 20 2HG1 VAL 20 7.197 -0.943 -4.921 118 HG13 VAL 20 3HG1 VAL 20 6.150 -2.265 -5.438 119 HG21 VAL 20 1HG2 VAL 20 6.755 -1.671 -8.779 120 HG22 VAL 20 2HG2 VAL 20 6.723 -3.263 -8.019 121 HG23 VAL 20 3HG2 VAL 20 5.635 -1.995 -7.455 122 H GLY 21 H GLY 21 7.314 1.470 -8.788 123 HA2 GLY 21 1HA GLY 21 5.485 2.909 -7.183 124 HA3 GLY 21 2HA GLY 21 5.611 3.004 -8.934 125 H CYS 22 H CYS 22 3.466 2.484 -6.607 126 HA CYS 22 HA CYS 22 2.135 0.117 -7.176 127 HB2 CYS 22 1HB CYS 22 1.609 1.621 -5.273 128 HB3 CYS 22 2HB CYS 22 0.876 2.757 -6.401 129 H ASP 23 H ASP 23 1.058 -0.609 -8.884 130 HA ASP 23 HA ASP 23 0.950 0.597 -11.340 131 HB2 ASP 23 1HB ASP 23 -0.587 -1.599 -10.051 132 HB3 ASP 23 2HB ASP 23 -1.227 -0.946 -11.557 133 H ASN 24 H ASN 24 -1.214 1.027 -8.639 134 HA ASN 24 HA ASN 24 -3.171 2.483 -10.197 135 HB2 ASN 24 1HB ASN 24 -3.684 1.021 -8.161 136 HB3 ASN 24 2HB ASN 24 -3.032 2.336 -7.188 137 HD21 ASN 24 1HD2 ASN 24 -4.961 2.784 -6.186 138 HD22 ASN 24 2HD2 ASN 24 -6.300 3.505 -7.007 139 H GLN 25 H GLN 25 -2.447 4.392 -10.949 140 HA GLN 25 HA GLN 25 -0.550 6.056 -9.792 141 HB2 GLN 25 1HB GLN 25 -2.873 6.821 -11.569 142 HB3 GLN 25 2HB GLN 25 -1.475 7.835 -11.239 143 HG2 GLN 25 1HG GLN 25 -1.633 5.312 -12.835 144 HG3 GLN 25 2HG GLN 25 -1.016 6.894 -13.310 145 HE21 GLN 25 1HE2 GLN 25 -0.188 3.831 -12.352 146 HE22 GLN 25 2HE2 GLN 25 1.451 4.120 -11.888 147 H ASP 26 H ASP 26 -3.974 5.772 -9.169 148 HA ASP 26 HA ASP 26 -4.392 8.187 -7.807 149 HB2 ASP 26 1HB ASP 26 -5.733 5.494 -7.625 150 HB3 ASP 26 2HB ASP 26 -6.261 6.867 -6.656 151 H CYS 27 H CYS 27 -2.779 5.281 -6.869 152 HA CYS 27 HA CYS 27 -2.965 5.215 -4.145 153 HB2 CYS 27 1HB CYS 27 -1.562 3.755 -5.760 154 HB3 CYS 27 2HB CYS 27 -0.284 4.932 -5.476 155 HA PRO 28 HA PRO 28 -1.453 9.125 -2.747 156 HB2 PRO 28 1HB PRO 28 -1.154 8.475 -0.128 157 HB3 PRO 28 2HB PRO 28 -2.731 8.765 -0.872 158 HG2 PRO 28 1HG PRO 28 -1.365 6.168 -0.279 159 HG3 PRO 28 2HG PRO 28 -3.064 6.619 -0.041 160 HD2 PRO 28 1HD PRO 28 -2.230 5.145 -2.154 161 HD3 PRO 28 2HD PRO 28 -3.597 6.273 -2.256 162 H ILE 29 H ILE 29 0.267 6.132 -2.430 163 HA ILE 29 HA ILE 29 2.741 7.577 -1.760 164 HB ILE 29 HB ILE 29 2.295 4.595 -1.654 165 HG12 ILE 29 1HG1 ILE 29 2.258 6.569 0.637 166 HG13 ILE 29 2HG1 ILE 29 0.821 5.843 -0.073 167 HG21 ILE 29 1HG2 ILE 29 4.317 4.699 -0.184 168 HG22 ILE 29 2HG2 ILE 29 4.608 5.128 -1.868 169 HG23 ILE 29 3HG2 ILE 29 4.490 6.392 -0.644 170 HD11 ILE 29 1HD1 ILE 29 3.041 4.407 1.361 171 HD12 ILE 29 2HD1 ILE 29 1.399 4.683 1.945 172 HD13 ILE 29 3HD1 ILE 29 1.677 3.621 0.566 173 H GLU 30 H GLU 30 1.545 4.946 -3.846 174 HA GLU 30 HA GLU 30 2.316 4.112 -5.825 175 HB2 GLU 30 1HB GLU 30 1.456 6.452 -6.394 176 HB3 GLU 30 2HB GLU 30 3.144 6.943 -6.437 177 HG2 GLU 30 1HG GLU 30 3.325 4.872 -8.071 178 HG3 GLU 30 2HG GLU 30 1.615 5.226 -8.308 179 H TRP 31 H TRP 31 4.238 4.315 -3.580 180 HA TRP 31 HA TRP 31 6.579 3.562 -5.035 181 HB2 TRP 31 1HB TRP 31 6.604 6.149 -3.473 182 HB3 TRP 31 2HB TRP 31 8.065 5.280 -3.934 183 HD1 TRP 31 HD TRP 31 5.499 7.681 -5.264 184 HE1 TRP 31 1HE TRP 31 6.077 8.306 -7.693 185 HE3 TRP 31 3HE TRP 31 9.145 4.209 -6.149 186 HZ2 TRP 31 2HZ TRP 31 7.844 7.441 -9.717 187 HZ3 TRP 31 3HZ TRP 31 10.229 4.174 -8.358 188 HH2 TRP 31 HH TRP 31 9.591 5.757 -10.103 189 H PHE 32 H PHE 32 6.890 1.723 -3.943 190 HA PHE 32 HA PHE 32 7.208 1.909 -1.023 191 HB2 PHE 32 1HB PHE 32 5.985 -0.429 -2.501 192 HB3 PHE 32 2HB PHE 32 6.187 -0.281 -0.758 193 HD1 PHE 32 1HD PHE 32 4.588 1.489 -3.623 194 HD2 PHE 32 2HD PHE 32 4.408 0.450 0.501 195 HE1 PHE 32 1HE PHE 32 2.366 2.532 -3.461 196 HE2 PHE 32 2HE PHE 32 2.184 1.491 0.669 197 HZ PHE 32 HZ PHE 32 1.160 2.533 -1.313 198 H HIS 33 H HIS 33 8.825 0.651 -0.107 199 HA HIS 33 HA HIS 33 11.040 0.063 -1.801 200 HB2 HIS 33 1HB HIS 33 10.639 -0.626 1.117 201 HB3 HIS 33 2HB HIS 33 12.173 -0.633 0.251 202 HD2 HIS 33 2HD HIS 33 11.663 2.377 -1.182 203 HE1 HIS 33 1HE HIS 33 11.688 3.666 2.860 204 HE2 HIS 33 2HE HIS 33 11.817 4.379 0.448 205 H TYR 34 H TYR 34 12.047 -1.952 -2.165 206 HA TYR 34 HA TYR 34 10.247 -4.077 -2.711 207 HB2 TYR 34 1HB TYR 34 13.218 -3.728 -2.899 208 HB3 TYR 34 2HB TYR 34 12.513 -5.328 -3.101 209 HD1 TYR 34 2HD TYR 34 10.907 -2.188 -4.195 210 HD2 TYR 34 1HD TYR 34 13.084 -5.642 -5.393 211 HE1 TYR 34 2HE TYR 34 10.419 -1.672 -6.550 212 HE2 TYR 34 1HE TYR 34 12.603 -5.135 -7.751 213 HH TYR 34 HH TYR 34 11.146 -2.134 -8.724 214 H GLY 35 H GLY 35 12.488 -3.394 -0.101 215 HA2 GLY 35 1HA GLY 35 12.292 -6.026 1.055 216 HA3 GLY 35 2HA GLY 35 13.062 -4.621 1.778 217 H CYS 36 H CYS 36 10.543 -3.042 1.333 218 HA CYS 36 HA CYS 36 9.338 -3.671 3.865 219 HB2 CYS 36 1HB CYS 36 8.988 -1.519 1.813 220 HB3 CYS 36 2HB CYS 36 7.743 -1.749 3.037 221 H VAL 37 H VAL 37 8.466 -3.994 0.474 222 HA VAL 37 HA VAL 37 5.846 -5.075 1.181 223 HB VAL 37 HB VAL 37 5.333 -5.028 -1.175 224 HG11 VAL 37 1HG1 VAL 37 4.965 -2.944 -0.124 225 HG12 VAL 37 2HG1 VAL 37 6.684 -2.546 -0.145 226 HG13 VAL 37 3HG1 VAL 37 5.768 -2.583 -1.652 227 HG21 VAL 37 1HG2 VAL 37 6.832 -4.912 -2.861 228 HG22 VAL 37 2HG2 VAL 37 7.889 -3.801 -1.990 229 HG23 VAL 37 3HG2 VAL 37 7.938 -5.527 -1.632 230 H GLY 38 H GLY 38 8.997 -6.102 0.201 231 HA2 GLY 38 1HA GLY 38 9.798 -8.302 0.390 232 HA3 GLY 38 2HA GLY 38 8.139 -8.881 0.412 233 H LEU 39 H LEU 39 10.557 -7.411 -1.734 234 HA LEU 39 HA LEU 39 9.630 -9.184 -3.870 235 HB2 LEU 39 1HB LEU 39 9.810 -6.197 -3.981 236 HB3 LEU 39 2HB LEU 39 10.019 -7.166 -5.439 237 HG LEU 39 HG LEU 39 7.557 -7.197 -3.696 238 HD11 LEU 39 1HD1 LEU 39 8.147 -5.745 -6.267 239 HD12 LEU 39 2HD1 LEU 39 7.712 -5.041 -4.710 240 HD13 LEU 39 3HD1 LEU 39 6.525 -5.982 -5.614 241 HD21 LEU 39 1HD2 LEU 39 6.868 -8.928 -4.903 242 HD22 LEU 39 2HD2 LEU 39 8.486 -9.026 -5.599 243 HD23 LEU 39 3HD2 LEU 39 7.232 -8.087 -6.410 244 H THR 40 H THR 40 11.370 -10.388 -4.255 245 HA THR 40 HA THR 40 14.034 -9.556 -3.771 246 HB THR 40 HB THR 40 14.719 -11.637 -4.843 247 HG1 THR 40 1HG THR 40 11.970 -11.918 -5.557 248 HG21 THR 40 1HG2 THR 40 12.711 -13.047 -3.572 249 HG22 THR 40 2HG2 THR 40 12.702 -11.487 -2.748 250 HG23 THR 40 3HG2 THR 40 14.186 -12.437 -2.821 251 H GLU 41 H GLU 41 12.039 -9.711 -6.677 252 HA GLU 41 HA GLU 41 13.988 -8.004 -8.037 253 HB2 GLU 41 1HB GLU 41 14.134 -9.324 -9.966 254 HB3 GLU 41 2HB GLU 41 14.274 -10.481 -8.650 255 HG2 GLU 41 1HG GLU 41 11.654 -10.622 -8.986 256 HG3 GLU 41 2HG GLU 41 12.085 -10.083 -10.608 257 H ALA 42 H ALA 42 12.910 -7.533 -10.377 258 HA ALA 42 HA ALA 42 10.584 -6.002 -9.781 259 HB1 ALA 42 1HB ALA 42 12.232 -5.233 -11.399 260 HB2 ALA 42 2HB ALA 42 11.867 -6.607 -12.443 261 HB3 ALA 42 3HB ALA 42 10.641 -5.375 -12.147 262 HA PRO 43 HA PRO 43 7.529 -9.115 -10.535 263 HB2 PRO 43 1HB PRO 43 5.376 -7.464 -10.629 264 HB3 PRO 43 2HB PRO 43 6.183 -7.905 -9.119 265 HG2 PRO 43 1HG PRO 43 6.468 -5.419 -10.762 266 HG3 PRO 43 2HG PRO 43 6.343 -5.588 -9.002 267 HD2 PRO 43 1HD PRO 43 8.706 -5.199 -10.264 268 HD3 PRO 43 2HD PRO 43 8.566 -6.151 -8.772 269 H LYS 44 H LYS 44 7.539 -10.025 -12.503 270 HA LYS 44 HA LYS 44 7.686 -8.771 -14.961 271 HB2 LYS 44 1HB LYS 44 6.592 -11.446 -14.132 272 HB3 LYS 44 2HB LYS 44 6.575 -10.941 -15.816 273 HG2 LYS 44 1HG LYS 44 9.107 -10.482 -15.416 274 HG3 LYS 44 2HG LYS 44 8.893 -11.584 -14.054 275 HD2 LYS 44 1HD LYS 44 8.043 -12.263 -16.861 276 HD3 LYS 44 2HD LYS 44 9.647 -12.636 -16.227 277 HE2 LYS 44 1HE LYS 44 8.532 -14.599 -15.795 278 HE3 LYS 44 2HE LYS 44 8.294 -13.733 -14.277 279 HZ1 LYS 44 1HZ LYS 44 6.305 -13.498 -16.435 280 HZ2 LYS 44 2HZ LYS 44 6.099 -13.299 -14.768 281 HZ3 LYS 44 3HZ LYS 44 6.289 -14.849 -15.417 282 H GLY 45 H GLY 45 4.765 -9.924 -13.279 283 HA2 GLY 45 1HA GLY 45 3.056 -8.700 -15.282 284 HA3 GLY 45 2HA GLY 45 2.530 -9.619 -13.879 285 H LYS 46 H LYS 46 0.938 -8.023 -13.459 286 HA LYS 46 HA LYS 46 1.792 -5.329 -12.826 287 HB2 LYS 46 1HB LYS 46 -0.883 -6.722 -12.735 288 HB3 LYS 46 2HB LYS 46 -0.655 -5.067 -12.186 289 HG2 LYS 46 1HG LYS 46 0.192 -5.879 -14.936 290 HG3 LYS 46 2HG LYS 46 -1.496 -5.500 -14.586 291 HD2 LYS 46 1HD LYS 46 -0.977 -3.283 -13.971 292 HD3 LYS 46 2HD LYS 46 0.750 -3.636 -13.861 293 HE2 LYS 46 1HE LYS 46 0.867 -3.945 -16.262 294 HE3 LYS 46 2HE LYS 46 -0.874 -3.704 -16.403 295 HZ1 LYS 46 1HZ LYS 46 0.393 -1.710 -16.979 296 HZ2 LYS 46 2HZ LYS 46 1.054 -1.668 -15.423 297 HZ3 LYS 46 3HZ LYS 46 -0.608 -1.444 -15.641 298 H TRP 47 H TRP 47 1.924 -4.418 -10.816 299 HA TRP 47 HA TRP 47 1.550 -6.226 -8.520 300 HB2 TRP 47 1HB TRP 47 3.939 -5.919 -8.971 301 HB3 TRP 47 2HB TRP 47 3.738 -4.171 -8.903 302 HD1 TRP 47 HD TRP 47 3.794 -7.263 -6.632 303 HE1 TRP 47 1HE TRP 47 4.186 -6.488 -4.209 304 HE3 TRP 47 3HE TRP 47 3.468 -2.209 -7.333 305 HZ2 TRP 47 2HZ TRP 47 4.336 -4.056 -2.783 306 HZ3 TRP 47 3HZ TRP 47 3.747 -0.728 -5.388 307 HH2 TRP 47 HH TRP 47 4.171 -1.635 -3.161 308 H TYR 48 H TYR 48 0.563 -5.404 -6.730 309 HA TYR 48 HA TYR 48 -0.163 -2.553 -6.770 310 HB2 TYR 48 1HB TYR 48 -1.988 -4.892 -6.190 311 HB3 TYR 48 2HB TYR 48 -2.403 -3.215 -5.853 312 HD1 TYR 48 1HD TYR 48 -2.248 -1.582 -7.894 313 HD2 TYR 48 2HD TYR 48 -2.568 -5.811 -8.237 314 HE1 TYR 48 1HE TYR 48 -3.094 -1.326 -10.189 315 HE2 TYR 48 2HE TYR 48 -3.414 -5.567 -10.534 316 HH TYR 48 HH TYR 48 -3.910 -2.360 -11.977 317 H CYS 49 H CYS 49 0.524 -1.569 -5.001 318 HA CYS 49 HA CYS 49 1.827 -2.665 -2.875 319 HB2 CYS 49 1HB CYS 49 1.614 -0.599 -1.767 320 HB3 CYS 49 2HB CYS 49 1.511 -0.192 -3.477 321 HA PRO 50 HA PRO 50 -1.030 -4.710 -0.248 322 HB2 PRO 50 1HB PRO 50 -0.003 -4.162 2.205 323 HB3 PRO 50 2HB PRO 50 0.763 -5.281 1.071 324 HG2 PRO 50 1HG PRO 50 1.421 -2.417 1.643 325 HG3 PRO 50 2HG PRO 50 2.516 -3.794 1.420 326 HD2 PRO 50 1HD PRO 50 2.023 -1.992 -0.541 327 HD3 PRO 50 2HD PRO 50 2.369 -3.700 -0.878 328 H GLN 51 H GLN 51 -0.674 -1.325 -0.160 329 HA GLN 51 HA GLN 51 -2.633 -0.842 1.901 330 HB2 GLN 51 1HB GLN 51 -0.955 0.833 0.104 331 HB3 GLN 51 2HB GLN 51 -2.428 1.552 0.742 332 HG2 GLN 51 1HG GLN 51 -1.470 0.601 3.016 333 HG3 GLN 51 2HG GLN 51 0.055 0.743 2.143 334 HE21 GLN 51 1HE2 GLN 51 -0.212 2.972 0.698 335 HE22 GLN 51 2HE2 GLN 51 -0.454 4.348 1.715 336 H CYS 52 H CYS 52 -2.559 -1.090 -1.580 337 HA CYS 52 HA CYS 52 -5.253 -0.060 -1.880 338 HB2 CYS 52 1HB CYS 52 -3.183 -1.120 -3.790 339 HB3 CYS 52 2HB CYS 52 -4.843 -0.847 -4.308 340 H THR 53 H THR 53 -3.626 -3.153 -2.598 341 HA THR 53 HA THR 53 -5.739 -4.702 -3.321 342 HB THR 53 HB THR 53 -3.591 -5.662 -1.425 343 HG1 THR 53 1HG THR 53 -2.703 -6.255 -3.680 344 HG21 THR 53 1HG2 THR 53 -5.755 -7.011 -2.421 345 HG22 THR 53 2HG2 THR 53 -4.243 -7.759 -1.904 346 HG23 THR 53 3HG2 THR 53 -4.506 -7.387 -3.607 347 H ALA 54 H ALA 54 -4.835 -3.781 -0.035 348 HA ALA 54 HA ALA 54 -6.672 -5.426 1.327 349 HB1 ALA 54 1HB ALA 54 -5.043 -3.048 2.005 350 HB2 ALA 54 2HB ALA 54 -6.405 -3.421 3.061 351 HB3 ALA 54 3HB ALA 54 -5.141 -4.621 2.796 352 H ALA 55 H ALA 55 -6.937 -2.161 0.008 353 HA ALA 55 HA ALA 55 -9.558 -1.702 1.071 354 HB1 ALA 55 1HB ALA 55 -9.364 0.399 0.249 355 HB2 ALA 55 2HB ALA 55 -7.657 -0.041 0.195 356 HB3 ALA 55 3HB ALA 55 -8.639 -0.140 -1.266 357 H MET 56 H MET 56 -8.255 -2.615 -2.099 358 HA MET 56 HA MET 56 -10.686 -2.604 -3.503 359 HB2 MET 56 1HB MET 56 -8.286 -4.369 -4.012 360 HB3 MET 56 2HB MET 56 -9.542 -3.953 -5.170 361 HG2 MET 56 1HG MET 56 -8.824 -1.716 -5.301 362 HG3 MET 56 2HG MET 56 -7.800 -1.883 -3.877 363 HE1 MET 56 1HE MET 56 -6.834 -4.291 -7.682 364 HE2 MET 56 2HE MET 56 -8.039 -4.727 -6.470 365 HE3 MET 56 3HE MET 56 -8.322 -3.355 -7.543 366 H LYS 57 H LYS 57 -9.128 -5.062 -1.529 367 HA LYS 57 HA LYS 57 -10.778 -7.232 -2.232 368 HB2 LYS 57 1HB LYS 57 -9.028 -6.593 0.111 369 HB3 LYS 57 2HB LYS 57 -10.094 -7.989 0.190 370 HG2 LYS 57 1HG LYS 57 -8.980 -8.488 -2.167 371 HG3 LYS 57 2HG LYS 57 -7.676 -7.533 -1.457 372 HD2 LYS 57 1HD LYS 57 -8.155 -9.137 0.609 373 HD3 LYS 57 2HD LYS 57 -8.731 -10.199 -0.678 374 HE2 LYS 57 1HE LYS 57 -6.536 -10.810 -0.653 375 HE3 LYS 57 2HE LYS 57 -6.442 -9.470 -1.795 376 HZ1 LYS 57 1HZ LYS 57 -6.106 -8.193 0.519 377 HZ2 LYS 57 2HZ LYS 57 -4.827 -8.784 -0.416 378 HZ3 LYS 57 3HZ LYS 57 -5.397 -9.681 0.901 379 H ARG 58 H ARG 58 -11.038 -4.813 0.347 380 HA ARG 58 HA ARG 58 -13.319 -5.884 1.595 381 HB2 ARG 58 1HB ARG 58 -12.271 -3.055 1.470 382 HB3 ARG 58 2HB ARG 58 -13.615 -3.551 2.489 383 HG2 ARG 58 1HG ARG 58 -12.028 -5.240 3.514 384 HG3 ARG 58 2HG ARG 58 -10.737 -4.374 2.680 385 HD2 ARG 58 1HD ARG 58 -10.774 -3.398 4.795 386 HD3 ARG 58 2HD ARG 58 -11.702 -2.274 3.803 387 HE ARG 58 HE ARG 58 -13.527 -4.040 4.890 388 HH11 ARG 58 2HH1 ARG 58 -11.215 -1.713 6.055 389 HH12 ARG 58 1HH1 ARG 58 -12.117 -1.340 7.487 390 HH21 ARG 58 2HH2 ARG 58 -14.723 -3.557 6.771 391 HH22 ARG 58 1HH2 ARG 58 -14.111 -2.390 7.893 392 H ARG 59 H ARG 59 -12.955 -3.512 -1.007 393 HA ARG 59 HA ARG 59 -15.834 -3.237 -1.272 394 HB2 ARG 59 1HB ARG 59 -15.384 -1.517 -2.854 395 HB3 ARG 59 2HB ARG 59 -14.231 -1.310 -1.542 396 HG2 ARG 59 1HG ARG 59 -12.698 -2.778 -3.087 397 HG3 ARG 59 2HG ARG 59 -13.779 -2.183 -4.348 398 HD2 ARG 59 1HD ARG 59 -12.479 -0.328 -2.379 399 HD3 ARG 59 2HD ARG 59 -11.653 -0.839 -3.850 400 HE ARG 59 HE ARG 59 -14.296 0.255 -4.253 401 HH11 ARG 59 2HH1 ARG 59 -10.881 0.903 -4.067 402 HH12 ARG 59 1HH1 ARG 59 -10.976 2.368 -4.986 403 HH21 ARG 59 2HH2 ARG 59 -14.435 2.182 -5.465 404 HH22 ARG 59 1HH2 ARG 59 -12.998 3.095 -5.780 405 H GLY 60 H GLY 60 -14.442 -5.816 -1.811 406 HA2 GLY 60 1HA GLY 60 -14.498 -6.222 -4.650 407 HA3 GLY 60 2HA GLY 60 -14.347 -7.469 -3.421 408 H SER 61 H SER 61 -16.909 -5.081 -4.038 409 HA SER 61 HA SER 61 -18.977 -6.953 -3.546 410 HB2 SER 61 1HB SER 61 -19.015 -4.219 -4.838 411 HB3 SER 61 2HB SER 61 -20.469 -5.148 -4.474 412 HG SER 61 HG SER 61 -18.911 -3.663 -2.822 413 H ARG 62 H ARG 62 -18.985 -8.712 -4.856 414 HA ARG 62 HA ARG 62 -19.489 -8.212 -7.710 415 HB2 ARG 62 1HB ARG 62 -17.965 -9.777 -8.426 416 HB3 ARG 62 2HB ARG 62 -17.131 -9.158 -7.007 417 HG2 ARG 62 1HG ARG 62 -18.912 -11.556 -6.824 418 HG3 ARG 62 2HG ARG 62 -17.237 -11.695 -7.362 419 HD2 ARG 62 1HD ARG 62 -16.391 -11.006 -5.307 420 HD3 ARG 62 2HD ARG 62 -17.911 -10.251 -4.828 421 HE ARG 62 HE ARG 62 -18.106 -13.095 -5.162 422 HH11 ARG 62 2HH1 ARG 62 -17.251 -10.533 -2.965 423 HH12 ARG 62 1HH1 ARG 62 -17.535 -11.480 -1.543 424 HH21 ARG 62 2HH2 ARG 62 -18.483 -14.353 -3.297 425 HH22 ARG 62 1HH2 ARG 62 -18.235 -13.654 -1.733 426 H HIS 63 H HIS 63 -20.037 -10.147 -4.859 427 HA HIS 63 HA HIS 63 -21.693 -12.109 -6.084 428 HB2 HIS 63 1HB HIS 63 -20.544 -12.394 -3.881 429 HB3 HIS 63 2HB HIS 63 -21.678 -11.239 -3.187 430 HD1 HIS 63 1HD HIS 63 -24.346 -12.091 -3.892 431 HD2 HIS 63 2HD HIS 63 -21.339 -14.894 -3.290 432 HE1 HIS 63 1HE HIS 63 -25.532 -14.250 -3.381 433 HE2 HIS 63 2HE HIS 63 -23.691 -15.911 -2.937 434 H LYS 64 H LYS 64 -22.355 -9.096 -4.338 435 HA LYS 64 HA LYS 64 -25.207 -9.359 -4.911 436 HB2 LYS 64 1HB LYS 64 -23.569 -7.616 -3.112 437 HB3 LYS 64 2HB LYS 64 -25.174 -7.084 -3.594 438 HG2 LYS 64 1HG LYS 64 -25.629 -8.165 -1.627 439 HG3 LYS 64 2HG LYS 64 -25.893 -9.461 -2.797 440 HD2 LYS 64 1HD LYS 64 -24.551 -10.584 -1.344 441 HD3 LYS 64 2HD LYS 64 -23.295 -9.850 -2.343 442 HE2 LYS 64 1HE LYS 64 -24.310 -8.299 -0.022 443 HE3 LYS 64 2HE LYS 64 -23.273 -9.686 0.307 444 HZ1 LYS 64 1HZ LYS 64 -21.570 -8.740 -1.074 445 HZ2 LYS 64 2HZ LYS 64 -22.035 -7.594 0.079 446 HZ3 LYS 64 3HZ LYS 64 -22.572 -7.451 -1.518 447 H SER 65 H SER 65 -22.529 -7.099 -5.491 448 HA SER 65 HA SER 65 -24.166 -5.596 -7.378 449 HB2 SER 65 1HB SER 65 -21.387 -5.153 -6.276 450 HB3 SER 65 2HB SER 65 -22.107 -4.130 -7.519 451 HG SER 65 HG SER 65 -23.622 -4.589 -5.233 452 H GLY 66 H GLY 66 -23.756 -5.434 -9.564 453 HA2 GLY 66 1HA GLY 66 -21.608 -7.124 -10.656 454 HA3 GLY 66 2HA GLY 66 -23.258 -7.350 -11.219 455 HA PRO 67 HA PRO 67 -21.770 -2.982 -12.733 456 HB2 PRO 67 1HB PRO 67 -19.086 -2.580 -12.660 457 HB3 PRO 67 2HB PRO 67 -20.161 -2.135 -11.329 458 HG2 PRO 67 1HG PRO 67 -18.430 -4.558 -11.637 459 HG3 PRO 67 2HG PRO 67 -18.687 -3.540 -10.208 460 HD2 PRO 67 1HD PRO 67 -19.933 -5.921 -10.545 461 HD3 PRO 67 2HD PRO 67 -20.685 -4.562 -9.684 462 H SER 68 H SER 68 -20.485 -6.053 -13.334 463 HA SER 68 HA SER 68 -18.869 -5.862 -15.517 464 HB2 SER 68 1HB SER 68 -19.920 -8.017 -16.300 465 HB3 SER 68 2HB SER 68 -19.401 -8.022 -14.615 466 HG SER 68 HG SER 68 -21.427 -8.116 -13.974 467 H SER 69 H SER 69 -19.136 -4.393 -17.089 468 HA SER 69 HA SER 69 -21.564 -3.444 -18.090 469 HB2 SER 69 1HB SER 69 -18.884 -3.560 -19.494 470 HB3 SER 69 2HB SER 69 -20.244 -2.539 -19.959 471 HG SER 69 HG SER 69 -18.406 -2.215 -17.945 472 H GLY 70 H GLY 70 -22.345 -3.690 -20.363 473 HA2 GLY 70 1HA GLY 70 -22.356 -6.551 -21.062 474 HA3 GLY 70 2HA GLY 70 -23.636 -5.409 -21.444 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -1.082 14.731 15.374 2 HA2 GLY 1 1HA GLY 1 -1.007 16.343 13.695 3 HA3 GLY 1 2HA GLY 1 0.247 16.960 14.761 4 H SER 2 H SER 2 2.144 17.335 13.845 5 HA SER 2 HA SER 2 2.665 16.349 11.173 6 HB2 SER 2 1HB SER 2 4.553 17.869 11.175 7 HB3 SER 2 2HB SER 2 3.148 18.709 11.831 8 HG SER 2 HG SER 2 4.164 18.930 13.652 9 H SER 3 H SER 3 3.541 14.416 10.885 10 HA SER 3 HA SER 3 5.619 13.521 12.774 11 HB2 SER 3 1HB SER 3 3.434 11.943 11.418 12 HB3 SER 3 2HB SER 3 4.865 11.168 12.096 13 HG SER 3 HG SER 3 3.619 12.956 13.779 14 H GLY 4 H GLY 4 7.524 13.711 11.790 15 HA2 GLY 4 1HA GLY 4 9.205 13.290 10.271 16 HA3 GLY 4 2HA GLY 4 8.091 12.234 9.415 17 H SER 5 H SER 5 10.032 14.598 8.764 18 HA SER 5 HA SER 5 8.390 16.584 7.557 19 HB2 SER 5 1HB SER 5 11.301 15.908 7.514 20 HB3 SER 5 2HB SER 5 10.672 16.990 6.271 21 HG SER 5 HG SER 5 11.445 17.829 8.473 22 H SER 6 H SER 6 10.211 13.819 6.266 23 HA SER 6 HA SER 6 8.482 13.909 3.885 24 HB2 SER 6 1HB SER 6 11.448 13.302 3.916 25 HB3 SER 6 2HB SER 6 10.399 13.213 2.501 26 HG SER 6 HG SER 6 10.596 15.286 2.281 27 H GLY 7 H GLY 7 7.800 11.951 3.076 28 HA2 GLY 7 1HA GLY 7 8.885 9.441 3.757 29 HA3 GLY 7 2HA GLY 7 7.559 9.801 4.852 30 H TYR 8 H TYR 8 8.328 8.273 2.054 31 HA TYR 8 HA TYR 8 5.679 8.700 0.853 32 HB2 TYR 8 1HB TYR 8 8.327 7.854 -0.253 33 HB3 TYR 8 2HB TYR 8 6.855 7.329 -1.064 34 HD1 TYR 8 1HD TYR 8 8.603 10.384 0.152 35 HD2 TYR 8 2HD TYR 8 5.793 8.741 -2.588 36 HE1 TYR 8 1HE TYR 8 8.482 12.548 -1.012 37 HE2 TYR 8 2HE TYR 8 5.665 10.899 -3.760 38 HH TYR 8 HH TYR 8 7.324 12.962 -4.006 39 H CYS 9 H CYS 9 7.949 5.956 0.920 40 HA CYS 9 HA CYS 9 6.193 3.902 0.633 41 HB2 CYS 9 1HB CYS 9 8.649 3.639 0.766 42 HB3 CYS 9 2HB CYS 9 8.570 3.899 2.505 43 H ILE 10 H ILE 10 5.378 2.313 2.232 44 HA ILE 10 HA ILE 10 3.562 3.442 3.995 45 HB ILE 10 HB ILE 10 3.428 1.144 5.033 46 HG12 ILE 10 1HG1 ILE 10 5.356 0.367 2.844 47 HG13 ILE 10 2HG1 ILE 10 5.868 0.637 4.506 48 HG21 ILE 10 1HG2 ILE 10 2.228 0.268 3.235 49 HG22 ILE 10 2HG2 ILE 10 2.197 2.008 2.953 50 HG23 ILE 10 3HG2 ILE 10 3.309 0.986 2.042 51 HD11 ILE 10 1HD1 ILE 10 5.560 -1.710 4.130 52 HD12 ILE 10 2HD1 ILE 10 4.305 -1.133 5.227 53 HD13 ILE 10 3HD1 ILE 10 3.923 -1.440 3.533 54 H CYS 11 H CYS 11 6.909 2.683 4.458 55 HA CYS 11 HA CYS 11 6.786 2.798 7.342 56 HB2 CYS 11 1HB CYS 11 9.254 2.627 7.211 57 HB3 CYS 11 2HB CYS 11 8.442 1.355 6.304 58 H ASN 12 H ASN 12 6.198 5.109 5.294 59 HA ASN 12 HA ASN 12 6.475 7.370 5.175 60 HB2 ASN 12 1HB ASN 12 6.683 6.775 8.113 61 HB3 ASN 12 2HB ASN 12 6.838 8.427 7.525 62 HD21 ASN 12 1HD2 ASN 12 4.715 5.806 8.148 63 HD22 ASN 12 2HD2 ASN 12 3.242 6.616 7.750 64 H GLN 13 H GLN 13 8.689 6.238 4.233 65 HA GLN 13 HA GLN 13 10.858 7.866 5.380 66 HB2 GLN 13 1HB GLN 13 11.020 5.078 4.232 67 HB3 GLN 13 2HB GLN 13 12.428 6.080 4.561 68 HG2 GLN 13 1HG GLN 13 10.494 5.638 6.765 69 HG3 GLN 13 2HG GLN 13 11.534 4.296 6.289 70 HE21 GLN 13 1HE2 GLN 13 11.635 7.722 7.163 71 HE22 GLN 13 2HE2 GLN 13 13.160 7.652 7.970 72 H VAL 14 H VAL 14 12.535 8.488 3.834 73 HA VAL 14 HA VAL 14 11.513 9.708 1.555 74 HB VAL 14 HB VAL 14 13.911 9.934 0.829 75 HG11 VAL 14 1HG1 VAL 14 13.374 10.668 3.704 76 HG12 VAL 14 2HG1 VAL 14 14.502 11.460 2.602 77 HG13 VAL 14 3HG1 VAL 14 12.765 11.556 2.307 78 HG21 VAL 14 1HG2 VAL 14 15.268 9.214 3.143 79 HG22 VAL 14 2HG2 VAL 14 14.213 7.841 2.806 80 HG23 VAL 14 3HG2 VAL 14 15.348 8.404 1.578 81 H SER 15 H SER 15 11.955 9.313 -0.699 82 HA SER 15 HA SER 15 11.608 6.526 -1.379 83 HB2 SER 15 1HB SER 15 11.263 7.367 -3.675 84 HB3 SER 15 2HB SER 15 10.251 8.222 -2.511 85 HG SER 15 HG SER 15 11.611 9.431 -4.188 86 H TYR 16 H TYR 16 13.557 5.510 -1.010 87 HA TYR 16 HA TYR 16 15.716 6.241 -2.868 88 HB2 TYR 16 1HB TYR 16 17.393 5.843 -1.214 89 HB3 TYR 16 2HB TYR 16 16.217 6.938 -0.496 90 HD1 TYR 16 2HD TYR 16 14.573 6.052 1.165 91 HD2 TYR 16 1HD TYR 16 17.814 3.703 -0.276 92 HE1 TYR 16 2HE TYR 16 14.299 4.518 3.068 93 HE2 TYR 16 1HE TYR 16 17.549 2.162 1.622 94 HH TYR 16 HH TYR 16 15.456 1.532 3.202 95 H GLY 17 H GLY 17 17.385 4.345 -2.923 96 HA2 GLY 17 1HA GLY 17 17.788 2.191 -3.607 97 HA3 GLY 17 2HA GLY 17 16.648 1.716 -2.356 98 H GLU 18 H GLU 18 16.309 -0.006 -4.062 99 HA GLU 18 HA GLU 18 14.927 0.669 -6.455 100 HB2 GLU 18 1HB GLU 18 15.049 -1.966 -4.978 101 HB3 GLU 18 2HB GLU 18 14.476 -1.743 -6.625 102 HG2 GLU 18 1HG GLU 18 16.687 -2.581 -6.747 103 HG3 GLU 18 2HG GLU 18 16.740 -0.883 -7.217 104 H MET 19 H MET 19 13.007 1.647 -6.388 105 HA MET 19 HA MET 19 11.011 0.680 -4.451 106 HB2 MET 19 1HB MET 19 11.214 3.358 -5.839 107 HB3 MET 19 2HB MET 19 9.899 2.877 -4.775 108 HG2 MET 19 1HG MET 19 11.930 2.417 -3.125 109 HG3 MET 19 2HG MET 19 12.679 3.654 -4.133 110 HE1 MET 19 1HE MET 19 9.735 3.195 -1.246 111 HE2 MET 19 2HE MET 19 8.620 4.240 -2.127 112 HE3 MET 19 3HE MET 19 9.251 2.779 -2.891 113 H VAL 20 H VAL 20 8.988 0.087 -5.140 114 HA VAL 20 HA VAL 20 8.677 -0.212 -8.051 115 HB VAL 20 HB VAL 20 8.676 -2.332 -6.870 116 HG11 VAL 20 1HG1 VAL 20 7.746 -2.634 -4.873 117 HG12 VAL 20 2HG1 VAL 20 7.347 -0.914 -4.867 118 HG13 VAL 20 3HG1 VAL 20 6.174 -2.091 -5.459 119 HG21 VAL 20 1HG2 VAL 20 7.233 -2.977 -8.430 120 HG22 VAL 20 2HG2 VAL 20 5.907 -2.557 -7.346 121 HG23 VAL 20 3HG2 VAL 20 6.525 -1.363 -8.488 122 H GLY 21 H GLY 21 7.510 1.433 -8.840 123 HA2 GLY 21 1HA GLY 21 5.642 2.959 -7.393 124 HA3 GLY 21 2HA GLY 21 5.781 2.911 -9.145 125 H CYS 22 H CYS 22 3.589 2.638 -6.857 126 HA CYS 22 HA CYS 22 2.280 0.190 -7.330 127 HB2 CYS 22 1HB CYS 22 1.777 1.559 -5.376 128 HB3 CYS 22 2HB CYS 22 1.157 2.843 -6.408 129 H ASP 23 H ASP 23 1.136 -0.511 -9.004 130 HA ASP 23 HA ASP 23 0.931 0.754 -11.434 131 HB2 ASP 23 1HB ASP 23 0.494 -1.673 -10.985 132 HB3 ASP 23 2HB ASP 23 -1.089 -1.221 -10.357 133 H ASN 24 H ASN 24 -1.266 0.928 -8.695 134 HA ASN 24 HA ASN 24 -3.291 2.386 -10.105 135 HB2 ASN 24 1HB ASN 24 -3.610 0.934 -8.021 136 HB3 ASN 24 2HB ASN 24 -2.952 2.291 -7.111 137 HD21 ASN 24 1HD2 ASN 24 -4.892 2.545 -5.996 138 HD22 ASN 24 2HD2 ASN 24 -6.285 3.248 -6.738 139 H GLN 25 H GLN 25 -2.681 4.307 -10.927 140 HA GLN 25 HA GLN 25 -0.796 6.055 -9.806 141 HB2 GLN 25 1HB GLN 25 -1.715 7.735 -11.369 142 HB3 GLN 25 2HB GLN 25 -1.400 6.191 -12.149 143 HG2 GLN 25 1HG GLN 25 -3.875 5.693 -11.733 144 HG3 GLN 25 2HG GLN 25 -4.030 7.420 -11.417 145 HE21 GLN 25 1HE2 GLN 25 -5.517 7.223 -13.272 146 HE22 GLN 25 2HE2 GLN 25 -4.860 7.378 -14.862 147 H ASP 26 H ASP 26 -4.048 5.441 -8.974 148 HA ASP 26 HA ASP 26 -4.625 7.998 -7.815 149 HB2 ASP 26 1HB ASP 26 -6.485 6.676 -8.538 150 HB3 ASP 26 2HB ASP 26 -5.956 5.297 -7.578 151 H CYS 27 H CYS 27 -2.542 5.599 -6.929 152 HA CYS 27 HA CYS 27 -2.978 5.412 -4.137 153 HB2 CYS 27 1HB CYS 27 -1.478 3.987 -5.781 154 HB3 CYS 27 2HB CYS 27 -0.236 5.136 -5.294 155 HA PRO 28 HA PRO 28 -1.525 9.379 -2.845 156 HB2 PRO 28 1HB PRO 28 -1.220 8.811 -0.208 157 HB3 PRO 28 2HB PRO 28 -2.800 9.052 -0.962 158 HG2 PRO 28 1HG PRO 28 -1.391 6.498 -0.292 159 HG3 PRO 28 2HG PRO 28 -3.097 6.926 -0.069 160 HD2 PRO 28 1HD PRO 28 -2.235 5.405 -2.137 161 HD3 PRO 28 2HD PRO 28 -3.621 6.507 -2.274 162 H ILE 29 H ILE 29 0.249 6.433 -2.481 163 HA ILE 29 HA ILE 29 2.689 7.915 -1.780 164 HB ILE 29 HB ILE 29 2.299 4.923 -1.763 165 HG12 ILE 29 1HG1 ILE 29 2.166 6.880 0.542 166 HG13 ILE 29 2HG1 ILE 29 0.796 6.013 -0.144 167 HG21 ILE 29 1HG2 ILE 29 4.609 5.557 -1.973 168 HG22 ILE 29 2HG2 ILE 29 4.454 6.708 -0.647 169 HG23 ILE 29 3HG2 ILE 29 4.323 4.978 -0.332 170 HD11 ILE 29 1HD1 ILE 29 2.976 5.039 1.611 171 HD12 ILE 29 2HD1 ILE 29 1.247 4.688 1.643 172 HD13 ILE 29 3HD1 ILE 29 2.282 3.917 0.441 173 H GLU 30 H GLU 30 1.594 5.294 -3.936 174 HA GLU 30 HA GLU 30 2.285 4.631 -5.999 175 HB2 GLU 30 1HB GLU 30 3.436 7.394 -6.345 176 HB3 GLU 30 2HB GLU 30 2.829 6.310 -7.589 177 HG2 GLU 30 1HG GLU 30 0.563 6.541 -6.459 178 HG3 GLU 30 2HG GLU 30 1.272 7.889 -5.572 179 H TRP 31 H TRP 31 4.121 4.510 -3.650 180 HA TRP 31 HA TRP 31 6.425 3.571 -5.058 181 HB2 TRP 31 1HB TRP 31 6.692 6.039 -3.330 182 HB3 TRP 31 2HB TRP 31 8.053 5.054 -3.861 183 HD1 TRP 31 HD TRP 31 5.737 7.791 -5.011 184 HE1 TRP 31 1HE TRP 31 6.401 8.540 -7.383 185 HE3 TRP 31 3HE TRP 31 9.061 4.073 -6.134 186 HZ2 TRP 31 2HZ TRP 31 8.109 7.669 -9.455 187 HZ3 TRP 31 3HZ TRP 31 10.167 4.104 -8.332 188 HH2 TRP 31 HH TRP 31 9.699 5.865 -9.957 189 H PHE 32 H PHE 32 7.195 1.872 -3.985 190 HA PHE 32 HA PHE 32 7.099 1.816 -1.070 191 HB2 PHE 32 1HB PHE 32 5.890 -0.376 -2.771 192 HB3 PHE 32 2HB PHE 32 6.042 -0.394 -1.017 193 HD1 PHE 32 1HD PHE 32 4.494 1.511 -3.806 194 HD2 PHE 32 2HD PHE 32 4.334 0.440 0.311 195 HE1 PHE 32 1HE PHE 32 2.297 2.601 -3.611 196 HE2 PHE 32 2HE PHE 32 2.137 1.528 0.512 197 HZ PHE 32 HZ PHE 32 1.115 2.610 -1.450 198 H HIS 33 H HIS 33 8.729 0.653 -0.148 199 HA HIS 33 HA HIS 33 10.970 0.000 -1.767 200 HB2 HIS 33 1HB HIS 33 10.463 -0.659 1.142 201 HB3 HIS 33 2HB HIS 33 12.023 -0.717 0.327 202 HD2 HIS 33 2HD HIS 33 11.639 2.290 -1.154 203 HE1 HIS 33 1HE HIS 33 11.573 3.622 2.873 204 HE2 HIS 33 2HE HIS 33 11.795 4.306 0.459 205 H TYR 34 H TYR 34 11.985 -2.043 -2.036 206 HA TYR 34 HA TYR 34 10.185 -4.137 -2.683 207 HB2 TYR 34 1HB TYR 34 13.157 -3.810 -2.704 208 HB3 TYR 34 2HB TYR 34 12.480 -5.427 -2.867 209 HD1 TYR 34 2HD TYR 34 11.023 -2.291 -4.203 210 HD2 TYR 34 1HD TYR 34 13.063 -5.915 -5.101 211 HE1 TYR 34 2HE TYR 34 10.662 -1.893 -6.603 212 HE2 TYR 34 1HE TYR 34 12.709 -5.526 -7.503 213 HH TYR 34 HH TYR 34 10.566 -3.156 -8.685 214 H GLY 35 H GLY 35 12.335 -3.529 0.037 215 HA2 GLY 35 1HA GLY 35 11.968 -6.128 1.204 216 HA3 GLY 35 2HA GLY 35 12.734 -4.741 1.964 217 H CYS 36 H CYS 36 10.335 -3.060 1.414 218 HA CYS 36 HA CYS 36 8.951 -3.648 3.854 219 HB2 CYS 36 1HB CYS 36 8.766 -1.505 1.767 220 HB3 CYS 36 2HB CYS 36 7.472 -1.682 2.948 221 H VAL 37 H VAL 37 8.255 -3.951 0.418 222 HA VAL 37 HA VAL 37 5.572 -4.957 0.983 223 HB VAL 37 HB VAL 37 5.175 -4.885 -1.387 224 HG11 VAL 37 1HG1 VAL 37 6.623 -2.451 -0.360 225 HG12 VAL 37 2HG1 VAL 37 5.686 -2.476 -1.856 226 HG13 VAL 37 3HG1 VAL 37 4.891 -2.777 -0.310 227 HG21 VAL 37 1HG2 VAL 37 7.255 -5.714 -2.239 228 HG22 VAL 37 2HG2 VAL 37 6.968 -4.124 -2.948 229 HG23 VAL 37 3HG2 VAL 37 8.124 -4.306 -1.629 230 H GLY 38 H GLY 38 8.737 -6.093 0.292 231 HA2 GLY 38 1HA GLY 38 9.490 -8.291 0.433 232 HA3 GLY 38 2HA GLY 38 7.819 -8.834 0.470 233 H LEU 39 H LEU 39 10.154 -7.326 -1.758 234 HA LEU 39 HA LEU 39 9.146 -9.122 -3.859 235 HB2 LEU 39 1HB LEU 39 9.580 -6.173 -3.933 236 HB3 LEU 39 2HB LEU 39 9.851 -7.117 -5.397 237 HG LEU 39 HG LEU 39 7.253 -7.084 -3.866 238 HD11 LEU 39 1HD1 LEU 39 6.437 -5.659 -5.714 239 HD12 LEU 39 2HD1 LEU 39 8.094 -5.514 -6.298 240 HD13 LEU 39 3HD1 LEU 39 7.657 -4.868 -4.716 241 HD21 LEU 39 1HD2 LEU 39 7.967 -8.089 -6.619 242 HD22 LEU 39 2HD2 LEU 39 6.354 -8.084 -5.906 243 HD23 LEU 39 3HD2 LEU 39 7.625 -9.088 -5.206 244 H THR 40 H THR 40 10.897 -10.520 -3.456 245 HA THR 40 HA THR 40 13.568 -9.904 -3.231 246 HB THR 40 HB THR 40 14.071 -12.137 -4.089 247 HG1 THR 40 1HG THR 40 12.272 -11.899 -5.751 248 HG21 THR 40 1HG2 THR 40 13.457 -12.672 -2.002 249 HG22 THR 40 2HG2 THR 40 11.937 -13.220 -2.710 250 HG23 THR 40 3HG2 THR 40 12.065 -11.591 -2.049 251 H GLU 41 H GLU 41 11.570 -9.924 -6.098 252 HA GLU 41 HA GLU 41 13.695 -8.603 -7.575 253 HB2 GLU 41 1HB GLU 41 13.744 -10.099 -9.408 254 HB3 GLU 41 2HB GLU 41 13.905 -11.099 -7.971 255 HG2 GLU 41 1HG GLU 41 11.188 -10.651 -9.085 256 HG3 GLU 41 2HG GLU 41 12.278 -11.751 -9.927 257 H ALA 42 H ALA 42 12.909 -7.728 -9.662 258 HA ALA 42 HA ALA 42 10.594 -6.233 -9.368 259 HB1 ALA 42 1HB ALA 42 10.839 -5.617 -11.681 260 HB2 ALA 42 2HB ALA 42 12.438 -5.726 -10.944 261 HB3 ALA 42 3HB ALA 42 11.858 -7.024 -11.988 262 HA PRO 43 HA PRO 43 7.371 -9.154 -10.172 263 HB2 PRO 43 1HB PRO 43 5.353 -7.367 -10.495 264 HB3 PRO 43 2HB PRO 43 6.031 -7.775 -8.914 265 HG2 PRO 43 1HG PRO 43 6.594 -5.413 -10.665 266 HG3 PRO 43 2HG PRO 43 6.349 -5.472 -8.909 267 HD2 PRO 43 1HD PRO 43 8.808 -5.318 -10.033 268 HD3 PRO 43 2HD PRO 43 8.508 -6.171 -8.505 269 H LYS 44 H LYS 44 7.578 -10.147 -12.107 270 HA LYS 44 HA LYS 44 7.932 -9.072 -14.598 271 HB2 LYS 44 1HB LYS 44 6.753 -11.614 -13.601 272 HB3 LYS 44 2HB LYS 44 6.497 -11.219 -15.295 273 HG2 LYS 44 1HG LYS 44 9.036 -10.857 -15.387 274 HG3 LYS 44 2HG LYS 44 9.070 -11.732 -13.855 275 HD2 LYS 44 1HD LYS 44 7.569 -12.899 -16.152 276 HD3 LYS 44 2HD LYS 44 9.332 -13.000 -16.144 277 HE2 LYS 44 1HE LYS 44 9.183 -14.006 -13.862 278 HE3 LYS 44 2HE LYS 44 7.431 -14.049 -14.053 279 HZ1 LYS 44 1HZ LYS 44 8.801 -16.127 -14.639 280 HZ2 LYS 44 2HZ LYS 44 9.177 -15.304 -16.068 281 HZ3 LYS 44 3HZ LYS 44 7.564 -15.650 -15.691 282 H GLY 45 H GLY 45 4.789 -9.977 -13.168 283 HA2 GLY 45 1HA GLY 45 3.377 -8.629 -15.318 284 HA3 GLY 45 2HA GLY 45 2.651 -9.518 -13.987 285 H LYS 46 H LYS 46 1.146 -7.897 -13.559 286 HA LYS 46 HA LYS 46 2.107 -5.243 -12.857 287 HB2 LYS 46 1HB LYS 46 -0.648 -6.455 -13.057 288 HB3 LYS 46 2HB LYS 46 -0.371 -4.831 -12.443 289 HG2 LYS 46 1HG LYS 46 0.639 -5.679 -15.134 290 HG3 LYS 46 2HG LYS 46 -1.010 -5.094 -14.901 291 HD2 LYS 46 1HD LYS 46 -0.154 -3.002 -13.990 292 HD3 LYS 46 2HD LYS 46 1.501 -3.589 -14.165 293 HE2 LYS 46 1HE LYS 46 1.095 -2.182 -16.023 294 HE3 LYS 46 2HE LYS 46 1.023 -3.835 -16.631 295 HZ1 LYS 46 1HZ LYS 46 -1.547 -3.194 -15.857 296 HZ2 LYS 46 2HZ LYS 46 -0.965 -3.343 -17.438 297 HZ3 LYS 46 3HZ LYS 46 -0.977 -1.831 -16.681 298 H TRP 47 H TRP 47 2.451 -4.543 -10.845 299 HA TRP 47 HA TRP 47 1.669 -6.314 -8.626 300 HB2 TRP 47 1HB TRP 47 4.073 -6.101 -8.805 301 HB3 TRP 47 2HB TRP 47 3.953 -4.344 -8.846 302 HD1 TRP 47 HD TRP 47 3.646 -7.304 -6.420 303 HE1 TRP 47 1HE TRP 47 3.868 -6.412 -4.016 304 HE3 TRP 47 3HE TRP 47 3.664 -2.288 -7.412 305 HZ2 TRP 47 2HZ TRP 47 4.030 -3.914 -2.712 306 HZ3 TRP 47 3HZ TRP 47 3.855 -0.715 -5.530 307 HH2 TRP 47 HH TRP 47 4.034 -1.513 -3.230 308 H TYR 48 H TYR 48 0.662 -5.479 -6.825 309 HA TYR 48 HA TYR 48 -0.101 -2.638 -6.936 310 HB2 TYR 48 1HB TYR 48 -1.883 -4.998 -6.313 311 HB3 TYR 48 2HB TYR 48 -2.337 -3.322 -6.024 312 HD1 TYR 48 1HD TYR 48 -2.578 -1.767 -7.969 313 HD2 TYR 48 2HD TYR 48 -2.037 -5.956 -8.477 314 HE1 TYR 48 1HE TYR 48 -3.406 -1.588 -10.279 315 HE2 TYR 48 2HE TYR 48 -2.862 -5.789 -10.788 316 HH TYR 48 HH TYR 48 -4.193 -4.345 -12.167 317 H CYS 49 H CYS 49 0.575 -1.598 -5.195 318 HA CYS 49 HA CYS 49 1.863 -2.614 -3.022 319 HB2 CYS 49 1HB CYS 49 1.634 -0.517 -1.993 320 HB3 CYS 49 2HB CYS 49 1.503 -0.160 -3.712 321 HA PRO 50 HA PRO 50 -1.000 -4.611 -0.363 322 HB2 PRO 50 1HB PRO 50 -0.009 -3.972 2.083 323 HB3 PRO 50 2HB PRO 50 0.785 -5.116 0.994 324 HG2 PRO 50 1HG PRO 50 1.399 -2.227 1.482 325 HG3 PRO 50 2HG PRO 50 2.515 -3.596 1.316 326 HD2 PRO 50 1HD PRO 50 2.022 -1.864 -0.707 327 HD3 PRO 50 2HD PRO 50 2.394 -3.577 -0.986 328 H GLN 51 H GLN 51 -0.683 -1.219 -0.373 329 HA GLN 51 HA GLN 51 -2.679 -0.701 1.645 330 HB2 GLN 51 1HB GLN 51 -0.963 0.931 -0.146 331 HB3 GLN 51 2HB GLN 51 -2.472 1.659 0.388 332 HG2 GLN 51 1HG GLN 51 -1.618 0.815 2.745 333 HG3 GLN 51 2HG GLN 51 -0.054 0.943 1.941 334 HE21 GLN 51 1HE2 GLN 51 -0.420 3.115 0.337 335 HE22 GLN 51 2HE2 GLN 51 -0.672 4.525 1.303 336 H CYS 52 H CYS 52 -2.557 -1.098 -1.812 337 HA CYS 52 HA CYS 52 -5.262 -0.101 -2.178 338 HB2 CYS 52 1HB CYS 52 -3.147 -1.150 -4.046 339 HB3 CYS 52 2HB CYS 52 -4.803 -0.897 -4.587 340 H THR 53 H THR 53 -3.554 -3.160 -2.851 341 HA THR 53 HA THR 53 -5.639 -4.762 -3.561 342 HB THR 53 HB THR 53 -3.369 -5.581 -1.737 343 HG1 THR 53 1HG THR 53 -3.542 -5.793 -4.572 344 HG21 THR 53 1HG2 THR 53 -4.218 -7.639 -1.786 345 HG22 THR 53 2HG2 THR 53 -4.195 -7.620 -3.549 346 HG23 THR 53 3HG2 THR 53 -5.614 -7.037 -2.679 347 H ALA 54 H ALA 54 -4.902 -3.551 -0.374 348 HA ALA 54 HA ALA 54 -6.661 -5.319 1.030 349 HB1 ALA 54 1HB ALA 54 -5.089 -4.528 2.474 350 HB2 ALA 54 2HB ALA 54 -5.037 -2.933 1.722 351 HB3 ALA 54 3HB ALA 54 -6.373 -3.360 2.790 352 H ALA 55 H ALA 55 -6.890 -2.013 -0.210 353 HA ALA 55 HA ALA 55 -9.500 -1.538 0.847 354 HB1 ALA 55 1HB ALA 55 -7.928 0.280 0.335 355 HB2 ALA 55 2HB ALA 55 -8.066 -0.100 -1.382 356 HB3 ALA 55 3HB ALA 55 -9.473 0.482 -0.493 357 H MET 56 H MET 56 -8.249 -2.434 -2.353 358 HA MET 56 HA MET 56 -10.737 -2.438 -3.678 359 HB2 MET 56 1HB MET 56 -8.221 -3.998 -4.295 360 HB3 MET 56 2HB MET 56 -9.584 -3.807 -5.390 361 HG2 MET 56 1HG MET 56 -9.191 -1.305 -5.190 362 HG3 MET 56 2HG MET 56 -7.653 -1.722 -4.439 363 HE1 MET 56 1HE MET 56 -6.012 -3.949 -6.956 364 HE2 MET 56 2HE MET 56 -5.317 -2.396 -6.490 365 HE3 MET 56 3HE MET 56 -6.168 -3.376 -5.295 366 H LYS 57 H LYS 57 -8.958 -4.956 -1.955 367 HA LYS 57 HA LYS 57 -10.636 -7.113 -2.631 368 HB2 LYS 57 1HB LYS 57 -8.626 -6.576 -0.495 369 HB3 LYS 57 2HB LYS 57 -9.704 -7.950 -0.288 370 HG2 LYS 57 1HG LYS 57 -8.977 -8.698 -2.592 371 HG3 LYS 57 2HG LYS 57 -7.716 -7.468 -2.486 372 HD2 LYS 57 1HD LYS 57 -6.955 -8.530 -0.363 373 HD3 LYS 57 2HD LYS 57 -8.126 -9.820 -0.642 374 HE2 LYS 57 1HE LYS 57 -6.937 -9.978 -2.970 375 HE3 LYS 57 2HE LYS 57 -5.616 -9.173 -2.124 376 HZ1 LYS 57 1HZ LYS 57 -6.289 -11.881 -2.081 377 HZ2 LYS 57 2HZ LYS 57 -6.558 -11.275 -0.526 378 HZ3 LYS 57 3HZ LYS 57 -5.038 -11.105 -1.248 379 H ARG 58 H ARG 58 -10.568 -5.080 0.296 380 HA ARG 58 HA ARG 58 -12.732 -6.212 1.613 381 HB2 ARG 58 1HB ARG 58 -11.585 -3.432 1.624 382 HB3 ARG 58 2HB ARG 58 -12.984 -3.843 2.607 383 HG2 ARG 58 1HG ARG 58 -11.534 -5.746 3.527 384 HG3 ARG 58 2HG ARG 58 -10.179 -4.869 2.813 385 HD2 ARG 58 1HD ARG 58 -10.201 -3.999 4.941 386 HD3 ARG 58 2HD ARG 58 -11.207 -2.832 4.084 387 HE ARG 58 HE ARG 58 -12.999 -3.507 5.339 388 HH11 ARG 58 2HH1 ARG 58 -10.451 -5.862 5.626 389 HH12 ARG 58 1HH1 ARG 58 -11.245 -6.762 6.875 390 HH21 ARG 58 2HH2 ARG 58 -14.055 -4.683 6.983 391 HH22 ARG 58 1HH2 ARG 58 -13.296 -6.091 7.646 392 H ARG 59 H ARG 59 -12.680 -3.595 -0.777 393 HA ARG 59 HA ARG 59 -15.430 -2.993 -0.674 394 HB2 ARG 59 1HB ARG 59 -13.820 -1.471 -1.685 395 HB3 ARG 59 2HB ARG 59 -13.450 -2.654 -2.932 396 HG2 ARG 59 1HG ARG 59 -15.762 -2.486 -3.751 397 HG3 ARG 59 2HG ARG 59 -16.084 -1.253 -2.530 398 HD2 ARG 59 1HD ARG 59 -15.589 0.059 -4.347 399 HD3 ARG 59 2HD ARG 59 -13.999 -0.085 -3.600 400 HE ARG 59 HE ARG 59 -13.993 -2.139 -5.323 401 HH11 ARG 59 2HH1 ARG 59 -14.848 1.214 -5.704 402 HH12 ARG 59 1HH1 ARG 59 -14.378 1.280 -7.370 403 HH21 ARG 59 2HH2 ARG 59 -13.370 -2.065 -7.516 404 HH22 ARG 59 1HH2 ARG 59 -13.538 -0.587 -8.400 405 H GLY 60 H GLY 60 -13.614 -5.461 -2.351 406 HA2 GLY 60 1HA GLY 60 -15.284 -6.231 -4.382 407 HA3 GLY 60 2HA GLY 60 -14.342 -7.364 -3.424 408 H SER 61 H SER 61 -15.323 -8.474 -1.717 409 HA SER 61 HA SER 61 -18.254 -8.224 -1.574 410 HB2 SER 61 1HB SER 61 -17.771 -10.191 -2.896 411 HB3 SER 61 2HB SER 61 -16.619 -10.768 -1.692 412 HG SER 61 HG SER 61 -19.046 -11.476 -1.782 413 H ARG 62 H ARG 62 -19.064 -8.046 0.416 414 HA ARG 62 HA ARG 62 -17.278 -8.014 2.671 415 HB2 ARG 62 1HB ARG 62 -19.307 -7.360 3.948 416 HB3 ARG 62 2HB ARG 62 -19.008 -6.336 2.550 417 HG2 ARG 62 1HG ARG 62 -20.650 -8.110 1.421 418 HG3 ARG 62 2HG ARG 62 -21.219 -8.218 3.088 419 HD2 ARG 62 1HD ARG 62 -21.926 -6.026 3.130 420 HD3 ARG 62 2HD ARG 62 -20.807 -5.532 1.861 421 HE ARG 62 HE ARG 62 -22.439 -5.981 0.338 422 HH11 ARG 62 2HH1 ARG 62 -23.134 -7.750 3.255 423 HH12 ARG 62 1HH1 ARG 62 -24.655 -8.351 2.683 424 HH21 ARG 62 2HH2 ARG 62 -24.440 -6.766 -0.426 425 HH22 ARG 62 1HH2 ARG 62 -25.396 -7.791 0.589 426 H HIS 63 H HIS 63 -20.091 -9.949 1.687 427 HA HIS 63 HA HIS 63 -19.622 -11.798 3.894 428 HB2 HIS 63 1HB HIS 63 -21.931 -11.128 3.450 429 HB3 HIS 63 2HB HIS 63 -21.805 -11.729 1.800 430 HD1 HIS 63 1HD HIS 63 -20.824 -13.445 5.049 431 HD2 HIS 63 2HD HIS 63 -23.381 -13.932 1.810 432 HE1 HIS 63 1HE HIS 63 -21.907 -15.691 5.378 433 HE2 HIS 63 2HE HIS 63 -23.385 -16.001 3.363 434 H LYS 64 H LYS 64 -17.907 -13.075 3.459 435 HA LYS 64 HA LYS 64 -17.563 -14.226 0.811 436 HB2 LYS 64 1HB LYS 64 -15.908 -14.045 3.287 437 HB3 LYS 64 2HB LYS 64 -15.574 -15.353 2.159 438 HG2 LYS 64 1HG LYS 64 -15.337 -13.641 0.361 439 HG3 LYS 64 2HG LYS 64 -15.478 -12.397 1.605 440 HD2 LYS 64 1HD LYS 64 -13.188 -12.621 1.422 441 HD3 LYS 64 2HD LYS 64 -13.548 -13.722 2.754 442 HE2 LYS 64 1HE LYS 64 -13.708 -15.545 0.977 443 HE3 LYS 64 2HE LYS 64 -12.951 -14.387 -0.116 444 HZ1 LYS 64 1HZ LYS 64 -11.514 -14.511 2.314 445 HZ2 LYS 64 2HZ LYS 64 -10.981 -14.854 0.747 446 HZ3 LYS 64 3HZ LYS 64 -11.692 -16.071 1.683 447 H SER 65 H SER 65 -18.616 -16.016 0.287 448 HA SER 65 HA SER 65 -19.625 -17.800 2.333 449 HB2 SER 65 1HB SER 65 -19.959 -17.617 -0.651 450 HB3 SER 65 2HB SER 65 -20.493 -19.047 0.232 451 HG SER 65 HG SER 65 -22.009 -17.884 1.239 452 H GLY 66 H GLY 66 -18.812 -19.737 2.885 453 HA2 GLY 66 1HA GLY 66 -16.190 -20.455 2.338 454 HA3 GLY 66 2HA GLY 66 -17.415 -21.557 2.951 455 HA PRO 67 HA PRO 67 -16.363 -22.115 -1.755 456 HB2 PRO 67 1HB PRO 67 -13.915 -23.289 -1.749 457 HB3 PRO 67 2HB PRO 67 -14.143 -21.543 -1.908 458 HG2 PRO 67 1HG PRO 67 -13.428 -23.148 0.516 459 HG3 PRO 67 2HG PRO 67 -12.758 -21.604 -0.041 460 HD2 PRO 67 1HD PRO 67 -14.607 -21.763 1.931 461 HD3 PRO 67 2HD PRO 67 -14.521 -20.388 0.812 462 H SER 68 H SER 68 -16.552 -24.123 -2.809 463 HA SER 68 HA SER 68 -17.776 -26.175 -1.402 464 HB2 SER 68 1HB SER 68 -17.964 -25.850 -3.852 465 HB3 SER 68 2HB SER 68 -16.305 -26.416 -4.038 466 HG SER 68 HG SER 68 -18.057 -28.056 -2.628 467 H SER 69 H SER 69 -14.488 -26.222 -2.789 468 HA SER 69 HA SER 69 -13.640 -28.644 -1.792 469 HB2 SER 69 1HB SER 69 -11.322 -27.654 -1.876 470 HB3 SER 69 2HB SER 69 -12.261 -27.453 -3.355 471 HG SER 69 HG SER 69 -11.945 -25.500 -1.317 472 H GLY 70 H GLY 70 -12.960 -29.422 0.129 473 HA2 GLY 70 1HA GLY 70 -11.910 -27.949 2.257 474 HA3 GLY 70 2HA GLY 70 -13.645 -28.066 2.510 Start of MODEL 17 1 H1 GLY 1 H GLY 1 9.468 24.910 2.145 2 HA2 GLY 1 1HA GLY 1 10.827 25.524 3.996 3 HA3 GLY 1 2HA GLY 1 10.291 24.076 4.835 4 H SER 2 H SER 2 12.932 24.662 4.848 5 HA SER 2 HA SER 2 14.277 23.277 2.696 6 HB2 SER 2 1HB SER 2 15.421 24.328 5.294 7 HB3 SER 2 2HB SER 2 16.332 23.852 3.862 8 HG SER 2 HG SER 2 15.553 25.600 2.780 9 H SER 3 H SER 3 14.012 22.805 6.221 10 HA SER 3 HA SER 3 14.758 19.991 5.839 11 HB2 SER 3 1HB SER 3 15.984 21.519 7.506 12 HB3 SER 3 2HB SER 3 14.530 21.398 8.496 13 HG SER 3 HG SER 3 15.436 19.634 9.193 14 H GLY 4 H GLY 4 13.662 18.472 7.473 15 HA2 GLY 4 1HA GLY 4 11.308 18.755 8.740 16 HA3 GLY 4 2HA GLY 4 10.804 18.725 7.057 17 H SER 5 H SER 5 9.706 16.811 8.398 18 HA SER 5 HA SER 5 11.404 14.425 8.215 19 HB2 SER 5 1HB SER 5 10.275 14.684 10.347 20 HB3 SER 5 2HB SER 5 8.716 14.855 9.541 21 HG SER 5 HG SER 5 8.588 12.765 9.397 22 H SER 6 H SER 6 11.394 13.934 6.057 23 HA SER 6 HA SER 6 8.860 13.760 4.633 24 HB2 SER 6 1HB SER 6 11.644 13.150 3.615 25 HB3 SER 6 2HB SER 6 10.192 13.398 2.645 26 HG SER 6 HG SER 6 10.349 15.501 2.920 27 H GLY 7 H GLY 7 8.333 11.815 3.381 28 HA2 GLY 7 1HA GLY 7 9.527 9.315 3.773 29 HA3 GLY 7 2HA GLY 7 8.294 9.513 5.010 30 H TYR 8 H TYR 8 8.797 8.091 2.175 31 HA TYR 8 HA TYR 8 6.093 8.617 1.142 32 HB2 TYR 8 1HB TYR 8 8.644 7.738 -0.156 33 HB3 TYR 8 2HB TYR 8 7.106 7.289 -0.886 34 HD1 TYR 8 1HD TYR 8 9.079 10.223 0.267 35 HD2 TYR 8 2HD TYR 8 5.952 8.805 -2.246 36 HE1 TYR 8 1HE TYR 8 8.957 12.428 -0.816 37 HE2 TYR 8 2HE TYR 8 5.822 11.006 -3.337 38 HH TYR 8 HH TYR 8 7.244 12.967 -3.700 39 H CYS 9 H CYS 9 8.337 5.846 1.093 40 HA CYS 9 HA CYS 9 6.529 3.819 0.830 41 HB2 CYS 9 1HB CYS 9 8.979 3.510 0.823 42 HB3 CYS 9 2HB CYS 9 9.006 3.753 2.567 43 H ILE 10 H ILE 10 5.781 2.208 2.445 44 HA ILE 10 HA ILE 10 4.068 3.320 4.313 45 HB ILE 10 HB ILE 10 3.971 1.015 5.329 46 HG12 ILE 10 1HG1 ILE 10 5.813 0.258 3.060 47 HG13 ILE 10 2HG1 ILE 10 6.382 0.499 4.708 48 HG21 ILE 10 1HG2 ILE 10 3.701 1.138 2.329 49 HG22 ILE 10 2HG2 ILE 10 2.867 0.031 3.417 50 HG23 ILE 10 3HG2 ILE 10 2.518 1.758 3.480 51 HD11 ILE 10 1HD1 ILE 10 5.948 -1.873 4.053 52 HD12 ILE 10 2HD1 ILE 10 5.103 -1.330 5.503 53 HD13 ILE 10 3HD1 ILE 10 4.234 -1.467 3.974 54 H CYS 11 H CYS 11 7.434 2.595 4.587 55 HA CYS 11 HA CYS 11 7.452 2.680 7.482 56 HB2 CYS 11 1HB CYS 11 9.914 2.489 7.222 57 HB3 CYS 11 2HB CYS 11 9.038 1.215 6.381 58 H ASN 12 H ASN 12 6.783 4.999 5.477 59 HA ASN 12 HA ASN 12 7.098 7.256 5.330 60 HB2 ASN 12 1HB ASN 12 7.516 6.740 8.274 61 HB3 ASN 12 2HB ASN 12 7.446 8.364 7.597 62 HD21 ASN 12 1HD2 ASN 12 5.680 5.740 8.765 63 HD22 ASN 12 2HD2 ASN 12 4.099 6.306 8.361 64 H GLN 13 H GLN 13 9.275 6.053 4.340 65 HA GLN 13 HA GLN 13 11.503 7.658 5.405 66 HB2 GLN 13 1HB GLN 13 11.564 4.872 4.246 67 HB3 GLN 13 2HB GLN 13 13.006 5.847 4.495 68 HG2 GLN 13 1HG GLN 13 11.185 5.445 6.801 69 HG3 GLN 13 2HG GLN 13 12.179 4.087 6.276 70 HE21 GLN 13 1HE2 GLN 13 12.277 7.434 7.347 71 HE22 GLN 13 2HE2 GLN 13 13.879 7.376 7.989 72 H VAL 14 H VAL 14 13.160 8.215 3.788 73 HA VAL 14 HA VAL 14 12.089 9.510 1.574 74 HB VAL 14 HB VAL 14 14.447 9.662 0.742 75 HG11 VAL 14 1HG1 VAL 14 13.324 11.143 2.533 76 HG12 VAL 14 2HG1 VAL 14 14.387 10.306 3.666 77 HG13 VAL 14 3HG1 VAL 14 15.073 11.235 2.333 78 HG21 VAL 14 1HG2 VAL 14 14.776 7.552 2.744 79 HG22 VAL 14 2HG2 VAL 14 15.761 7.942 1.334 80 HG23 VAL 14 3HG2 VAL 14 15.984 8.835 2.839 81 H SER 15 H SER 15 12.369 9.124 -0.697 82 HA SER 15 HA SER 15 11.857 6.375 -1.398 83 HB2 SER 15 1HB SER 15 11.500 7.273 -3.678 84 HB3 SER 15 2HB SER 15 10.565 8.152 -2.469 85 HG SER 15 HG SER 15 11.991 9.295 -4.177 86 H TYR 16 H TYR 16 13.829 5.339 -0.975 87 HA TYR 16 HA TYR 16 15.935 5.915 -2.952 88 HB2 TYR 16 1HB TYR 16 17.641 5.521 -1.373 89 HB3 TYR 16 2HB TYR 16 16.483 6.546 -0.532 90 HD1 TYR 16 1HD TYR 16 17.715 3.076 -0.867 91 HD2 TYR 16 2HD TYR 16 15.363 5.785 1.420 92 HE1 TYR 16 1HE TYR 16 17.566 1.413 0.939 93 HE2 TYR 16 2HE TYR 16 15.209 4.130 3.233 94 HH TYR 16 HH TYR 16 16.375 0.860 2.839 95 H GLY 17 H GLY 17 17.501 3.926 -3.044 96 HA2 GLY 17 1HA GLY 17 17.759 1.759 -3.755 97 HA3 GLY 17 2HA GLY 17 16.650 1.343 -2.456 98 H GLU 18 H GLU 18 16.443 -0.280 -4.472 99 HA GLU 18 HA GLU 18 14.899 0.461 -6.680 100 HB2 GLU 18 1HB GLU 18 15.066 -2.195 -5.248 101 HB3 GLU 18 2HB GLU 18 14.307 -1.958 -6.816 102 HG2 GLU 18 1HG GLU 18 16.476 -2.825 -7.200 103 HG3 GLU 18 2HG GLU 18 16.501 -1.125 -7.665 104 H MET 19 H MET 19 13.036 1.541 -6.489 105 HA MET 19 HA MET 19 11.075 0.615 -4.501 106 HB2 MET 19 1HB MET 19 11.335 3.271 -5.920 107 HB3 MET 19 2HB MET 19 10.001 2.845 -4.857 108 HG2 MET 19 1HG MET 19 12.011 2.323 -3.198 109 HG3 MET 19 2HG MET 19 12.803 3.528 -4.210 110 HE1 MET 19 1HE MET 19 9.953 3.035 -1.380 111 HE2 MET 19 2HE MET 19 8.851 4.272 -1.985 112 HE3 MET 19 3HE MET 19 9.250 2.878 -2.990 113 H VAL 20 H VAL 20 8.981 0.132 -5.100 114 HA VAL 20 HA VAL 20 8.550 -0.196 -7.996 115 HB VAL 20 HB VAL 20 8.471 -2.346 -7.099 116 HG11 VAL 20 1HG1 VAL 20 7.348 -0.991 -4.721 117 HG12 VAL 20 2HG1 VAL 20 6.820 -2.648 -5.018 118 HG13 VAL 20 3HG1 VAL 20 8.537 -2.288 -4.833 119 HG21 VAL 20 1HG2 VAL 20 5.589 -1.980 -6.693 120 HG22 VAL 20 2HG2 VAL 20 6.214 -1.288 -8.190 121 HG23 VAL 20 3HG2 VAL 20 6.454 -3.000 -7.843 122 H GLY 21 H GLY 21 7.386 1.488 -8.709 123 HA2 GLY 21 1HA GLY 21 5.596 3.015 -7.167 124 HA3 GLY 21 2HA GLY 21 5.669 2.996 -8.923 125 H CYS 22 H CYS 22 3.576 2.682 -6.532 126 HA CYS 22 HA CYS 22 2.212 0.275 -6.982 127 HB2 CYS 22 1HB CYS 22 1.801 1.697 -5.025 128 HB3 CYS 22 2HB CYS 22 1.107 2.937 -6.063 129 H ASP 23 H ASP 23 1.023 -0.420 -8.627 130 HA ASP 23 HA ASP 23 0.765 0.824 -11.055 131 HB2 ASP 23 1HB ASP 23 0.305 -1.554 -10.732 132 HB3 ASP 23 2HB ASP 23 -1.146 -1.166 -9.812 133 H ASN 24 H ASN 24 -1.382 1.047 -8.273 134 HA ASN 24 HA ASN 24 -3.375 2.580 -9.657 135 HB2 ASN 24 1HB ASN 24 -3.748 1.095 -7.612 136 HB3 ASN 24 2HB ASN 24 -3.035 2.398 -6.665 137 HD21 ASN 24 1HD2 ASN 24 -4.792 3.021 -5.540 138 HD22 ASN 24 2HD2 ASN 24 -6.223 3.674 -6.254 139 H GLN 25 H GLN 25 -2.702 4.497 -10.441 140 HA GLN 25 HA GLN 25 -0.765 6.167 -9.310 141 HB2 GLN 25 1HB GLN 25 -1.679 7.919 -10.796 142 HB3 GLN 25 2HB GLN 25 -1.426 6.391 -11.630 143 HG2 GLN 25 1HG GLN 25 -3.843 5.903 -11.347 144 HG3 GLN 25 2HG GLN 25 -4.044 7.517 -10.669 145 HE21 GLN 25 1HE2 GLN 25 -2.888 9.229 -12.148 146 HE22 GLN 25 2HE2 GLN 25 -3.327 9.133 -13.816 147 H ASP 26 H ASP 26 -4.078 5.694 -8.509 148 HA ASP 26 HA ASP 26 -4.564 8.197 -7.253 149 HB2 ASP 26 1HB ASP 26 -6.277 6.439 -8.022 150 HB3 ASP 26 2HB ASP 26 -5.924 5.616 -6.505 151 H CYS 27 H CYS 27 -2.524 5.693 -6.434 152 HA CYS 27 HA CYS 27 -2.828 5.545 -3.635 153 HB2 CYS 27 1HB CYS 27 -1.423 4.086 -5.316 154 HB3 CYS 27 2HB CYS 27 -0.144 5.230 -4.924 155 HA PRO 28 HA PRO 28 -1.275 9.493 -2.401 156 HB2 PRO 28 1HB PRO 28 -0.886 8.922 0.224 157 HB3 PRO 28 2HB PRO 28 -2.488 9.186 -0.474 158 HG2 PRO 28 1HG PRO 28 -1.094 6.611 0.149 159 HG3 PRO 28 2HG PRO 28 -2.785 7.065 0.431 160 HD2 PRO 28 1HD PRO 28 -2.018 5.531 -1.664 161 HD3 PRO 28 2HD PRO 28 -3.392 6.652 -1.754 162 H ILE 29 H ILE 29 0.463 6.513 -2.024 163 HA ILE 29 HA ILE 29 2.945 7.953 -1.411 164 HB ILE 29 HB ILE 29 2.549 4.964 -1.468 165 HG12 ILE 29 1HG1 ILE 29 2.587 6.667 1.017 166 HG13 ILE 29 2HG1 ILE 29 1.083 6.274 0.192 167 HG21 ILE 29 1HG2 ILE 29 4.852 5.605 -1.651 168 HG22 ILE 29 2HG2 ILE 29 4.690 6.740 -0.312 169 HG23 ILE 29 3HG2 ILE 29 4.570 5.006 -0.017 170 HD11 ILE 29 1HD1 ILE 29 2.879 4.021 0.844 171 HD12 ILE 29 2HD1 ILE 29 2.059 4.819 2.186 172 HD13 ILE 29 3HD1 ILE 29 1.118 4.119 0.869 173 H GLU 30 H GLU 30 1.773 5.376 -3.582 174 HA GLU 30 HA GLU 30 2.399 4.750 -5.677 175 HB2 GLU 30 1HB GLU 30 3.528 7.528 -5.993 176 HB3 GLU 30 2HB GLU 30 2.923 6.461 -7.252 177 HG2 GLU 30 1HG GLU 30 0.667 6.636 -6.079 178 HG3 GLU 30 2HG GLU 30 1.371 7.988 -5.193 179 H TRP 31 H TRP 31 4.305 4.585 -3.387 180 HA TRP 31 HA TRP 31 6.563 3.666 -4.879 181 HB2 TRP 31 1HB TRP 31 6.893 6.103 -3.119 182 HB3 TRP 31 2HB TRP 31 8.231 5.128 -3.720 183 HD1 TRP 31 HD TRP 31 5.881 7.891 -4.727 184 HE1 TRP 31 1HE TRP 31 6.456 8.685 -7.106 185 HE3 TRP 31 3HE TRP 31 9.149 4.189 -6.050 186 HZ2 TRP 31 2HZ TRP 31 8.079 7.852 -9.260 187 HZ3 TRP 31 3HZ TRP 31 10.169 4.261 -8.288 188 HH2 TRP 31 HH TRP 31 9.643 6.055 -9.858 189 H PHE 32 H PHE 32 7.289 1.917 -3.869 190 HA PHE 32 HA PHE 32 7.355 1.831 -0.955 191 HB2 PHE 32 1HB PHE 32 5.970 -0.301 -2.595 192 HB3 PHE 32 2HB PHE 32 6.209 -0.327 -0.851 193 HD1 PHE 32 1HD PHE 32 4.511 1.489 -3.592 194 HD2 PHE 32 2HD PHE 32 4.691 0.722 0.591 195 HE1 PHE 32 1HE PHE 32 2.371 2.664 -3.288 196 HE2 PHE 32 2HE PHE 32 2.550 1.894 0.901 197 HZ PHE 32 HZ PHE 32 1.387 2.867 -1.040 198 H HIS 33 H HIS 33 9.019 0.647 -0.152 199 HA HIS 33 HA HIS 33 11.126 -0.087 -1.895 200 HB2 HIS 33 1HB HIS 33 10.775 -0.824 1.018 201 HB3 HIS 33 2HB HIS 33 12.284 -0.838 0.109 202 HD2 HIS 33 2HD HIS 33 11.774 2.229 -1.219 203 HE1 HIS 33 1HE HIS 33 11.987 3.385 2.858 204 HE2 HIS 33 2HE HIS 33 12.031 4.175 0.466 205 H TYR 34 H TYR 34 11.991 -2.128 -2.363 206 HA TYR 34 HA TYR 34 10.086 -4.154 -2.880 207 HB2 TYR 34 1HB TYR 34 13.060 -3.937 -3.136 208 HB3 TYR 34 2HB TYR 34 12.295 -5.513 -3.309 209 HD1 TYR 34 2HD TYR 34 11.200 -2.126 -4.435 210 HD2 TYR 34 1HD TYR 34 12.365 -6.061 -5.560 211 HE1 TYR 34 2HE TYR 34 10.671 -1.606 -6.780 212 HE2 TYR 34 1HE TYR 34 11.840 -5.551 -7.908 213 HH TYR 34 HH TYR 34 11.701 -3.429 -9.344 214 H GLY 35 H GLY 35 12.396 -3.627 -0.297 215 HA2 GLY 35 1HA GLY 35 12.091 -6.264 0.821 216 HA3 GLY 35 2HA GLY 35 12.936 -4.909 1.555 217 H CYS 36 H CYS 36 10.555 -3.162 1.243 218 HA CYS 36 HA CYS 36 9.337 -3.791 3.756 219 HB2 CYS 36 1HB CYS 36 9.080 -1.588 1.750 220 HB3 CYS 36 2HB CYS 36 7.820 -1.781 2.965 221 H VAL 37 H VAL 37 8.402 -4.036 0.378 222 HA VAL 37 HA VAL 37 5.731 -4.966 1.102 223 HB VAL 37 HB VAL 37 5.271 -4.976 -1.302 224 HG11 VAL 37 1HG1 VAL 37 5.653 -2.511 -1.715 225 HG12 VAL 37 2HG1 VAL 37 4.813 -2.922 -0.218 226 HG13 VAL 37 3HG1 VAL 37 6.520 -2.479 -0.179 227 HG21 VAL 37 1HG2 VAL 37 8.208 -4.475 -1.463 228 HG22 VAL 37 2HG2 VAL 37 7.197 -5.557 -2.421 229 HG23 VAL 37 3HG2 VAL 37 7.149 -3.818 -2.712 230 H GLY 38 H GLY 38 8.808 -6.182 0.077 231 HA2 GLY 38 1HA GLY 38 9.477 -8.428 0.296 232 HA3 GLY 38 2HA GLY 38 7.787 -8.906 0.329 233 H LEU 39 H LEU 39 10.262 -7.571 -1.844 234 HA LEU 39 HA LEU 39 9.257 -9.329 -3.954 235 HB2 LEU 39 1HB LEU 39 9.571 -6.349 -4.142 236 HB3 LEU 39 2HB LEU 39 9.619 -7.381 -5.570 237 HG LEU 39 HG LEU 39 7.281 -7.257 -3.672 238 HD11 LEU 39 1HD1 LEU 39 7.419 -5.092 -4.598 239 HD12 LEU 39 2HD1 LEU 39 6.219 -5.955 -5.559 240 HD13 LEU 39 3HD1 LEU 39 7.849 -5.717 -6.190 241 HD21 LEU 39 1HD2 LEU 39 7.619 -9.304 -5.100 242 HD22 LEU 39 2HD2 LEU 39 7.405 -8.261 -6.507 243 HD23 LEU 39 3HD2 LEU 39 6.094 -8.450 -5.342 244 H THR 40 H THR 40 10.876 -10.422 -4.836 245 HA THR 40 HA THR 40 13.608 -9.720 -4.232 246 HB THR 40 HB THR 40 14.210 -11.800 -5.360 247 HG1 THR 40 1HG THR 40 12.835 -12.839 -6.639 248 HG21 THR 40 1HG2 THR 40 13.728 -12.723 -3.389 249 HG22 THR 40 2HG2 THR 40 12.124 -13.108 -4.014 250 HG23 THR 40 3HG2 THR 40 12.392 -11.600 -3.139 251 H GLU 41 H GLU 41 11.535 -9.826 -7.089 252 HA GLU 41 HA GLU 41 13.422 -8.075 -8.466 253 HB2 GLU 41 1HB GLU 41 13.493 -9.387 -10.463 254 HB3 GLU 41 2HB GLU 41 13.935 -10.439 -9.126 255 HG2 GLU 41 1HG GLU 41 11.105 -10.330 -10.068 256 HG3 GLU 41 2HG GLU 41 12.300 -11.282 -10.948 257 H ALA 42 H ALA 42 12.475 -7.046 -10.381 258 HA ALA 42 HA ALA 42 10.085 -5.803 -9.931 259 HB1 ALA 42 1HB ALA 42 11.619 -6.343 -12.437 260 HB2 ALA 42 2HB ALA 42 10.048 -5.544 -12.520 261 HB3 ALA 42 3HB ALA 42 11.357 -4.820 -11.586 262 HA PRO 43 HA PRO 43 7.072 -9.010 -10.515 263 HB2 PRO 43 1HB PRO 43 4.884 -7.412 -10.341 264 HB3 PRO 43 2HB PRO 43 5.828 -7.906 -8.930 265 HG2 PRO 43 1HG PRO 43 5.914 -5.336 -10.464 266 HG3 PRO 43 2HG PRO 43 5.946 -5.594 -8.710 267 HD2 PRO 43 1HD PRO 43 8.183 -5.082 -10.147 268 HD3 PRO 43 2HD PRO 43 8.193 -6.109 -8.699 269 H LYS 44 H LYS 44 7.345 -9.647 -12.640 270 HA LYS 44 HA LYS 44 7.074 -8.268 -14.964 271 HB2 LYS 44 1HB LYS 44 6.518 -11.088 -14.198 272 HB3 LYS 44 2HB LYS 44 5.952 -10.553 -15.775 273 HG2 LYS 44 1HG LYS 44 8.792 -10.213 -14.854 274 HG3 LYS 44 2HG LYS 44 8.220 -11.638 -15.723 275 HD2 LYS 44 1HD LYS 44 7.574 -10.272 -17.612 276 HD3 LYS 44 2HD LYS 44 8.004 -8.802 -16.734 277 HE2 LYS 44 1HE LYS 44 10.319 -9.394 -16.741 278 HE3 LYS 44 2HE LYS 44 9.963 -11.000 -17.373 279 HZ1 LYS 44 1HZ LYS 44 8.867 -9.209 -19.166 280 HZ2 LYS 44 2HZ LYS 44 10.246 -10.162 -19.389 281 HZ3 LYS 44 3HZ LYS 44 10.395 -8.587 -18.788 282 H GLY 45 H GLY 45 4.412 -9.800 -13.164 283 HA2 GLY 45 1HA GLY 45 2.408 -8.813 -14.967 284 HA3 GLY 45 2HA GLY 45 2.124 -9.602 -13.423 285 H LYS 46 H LYS 46 0.590 -8.196 -12.664 286 HA LYS 46 HA LYS 46 1.353 -5.372 -12.408 287 HB2 LYS 46 1HB LYS 46 -1.304 -6.787 -12.313 288 HB3 LYS 46 2HB LYS 46 -1.114 -5.135 -11.740 289 HG2 LYS 46 1HG LYS 46 -0.136 -5.803 -14.466 290 HG3 LYS 46 2HG LYS 46 -1.876 -5.662 -14.201 291 HD2 LYS 46 1HD LYS 46 -1.631 -3.416 -13.394 292 HD3 LYS 46 2HD LYS 46 0.128 -3.550 -13.414 293 HE2 LYS 46 1HE LYS 46 -0.468 -2.321 -15.345 294 HE3 LYS 46 2HE LYS 46 -0.050 -3.941 -15.900 295 HZ1 LYS 46 1HZ LYS 46 -2.797 -2.888 -15.490 296 HZ2 LYS 46 2HZ LYS 46 -2.423 -4.469 -15.960 297 HZ3 LYS 46 3HZ LYS 46 -2.048 -3.173 -16.980 298 H TRP 47 H TRP 47 1.923 -4.569 -10.497 299 HA TRP 47 HA TRP 47 1.406 -6.199 -8.100 300 HB2 TRP 47 1HB TRP 47 3.782 -5.941 -8.584 301 HB3 TRP 47 2HB TRP 47 3.604 -4.190 -8.636 302 HD1 TRP 47 HD TRP 47 3.854 -7.105 -6.192 303 HE1 TRP 47 1HE TRP 47 4.224 -6.172 -3.822 304 HE3 TRP 47 3HE TRP 47 3.121 -2.136 -7.151 305 HZ2 TRP 47 2HZ TRP 47 4.207 -3.663 -2.529 306 HZ3 TRP 47 3HZ TRP 47 3.316 -0.536 -5.292 307 HH2 TRP 47 HH TRP 47 3.847 -1.285 -3.030 308 H TYR 48 H TYR 48 0.347 -5.340 -6.398 309 HA TYR 48 HA TYR 48 -0.299 -2.470 -6.485 310 HB2 TYR 48 1HB TYR 48 -2.176 -4.763 -5.890 311 HB3 TYR 48 2HB TYR 48 -2.561 -3.075 -5.570 312 HD1 TYR 48 1HD TYR 48 -2.691 -1.470 -7.505 313 HD2 TYR 48 2HD TYR 48 -2.426 -5.682 -8.051 314 HE1 TYR 48 1HE TYR 48 -3.515 -1.218 -9.809 315 HE2 TYR 48 2HE TYR 48 -3.248 -5.440 -10.357 316 HH TYR 48 HH TYR 48 -4.512 -3.884 -11.706 317 H CYS 49 H CYS 49 0.481 -1.495 -4.750 318 HA CYS 49 HA CYS 49 1.704 -2.579 -2.585 319 HB2 CYS 49 1HB CYS 49 1.582 -0.482 -1.542 320 HB3 CYS 49 2HB CYS 49 1.447 -0.103 -3.256 321 HA PRO 50 HA PRO 50 -1.238 -4.464 0.069 322 HB2 PRO 50 1HB PRO 50 -0.215 -3.888 2.517 323 HB3 PRO 50 2HB PRO 50 0.525 -5.058 1.418 324 HG2 PRO 50 1HG PRO 50 1.268 -2.202 1.925 325 HG3 PRO 50 2HG PRO 50 2.321 -3.618 1.747 326 HD2 PRO 50 1HD PRO 50 1.902 -1.851 -0.262 327 HD3 PRO 50 2HD PRO 50 2.197 -3.577 -0.555 328 H GLN 51 H GLN 51 -0.774 -1.090 0.080 329 HA GLN 51 HA GLN 51 -2.743 -0.500 2.105 330 HB2 GLN 51 1HB GLN 51 -0.940 1.062 0.344 331 HB3 GLN 51 2HB GLN 51 -2.424 1.857 0.851 332 HG2 GLN 51 1HG GLN 51 -1.840 1.443 3.191 333 HG3 GLN 51 2HG GLN 51 -0.343 0.671 2.673 334 HE21 GLN 51 1HE2 GLN 51 -1.982 3.611 1.574 335 HE22 GLN 51 2HE2 GLN 51 -0.656 4.675 1.882 336 H CYS 52 H CYS 52 -2.636 -0.873 -1.354 337 HA CYS 52 HA CYS 52 -5.293 0.251 -1.713 338 HB2 CYS 52 1HB CYS 52 -3.229 -0.880 -3.591 339 HB3 CYS 52 2HB CYS 52 -4.870 -0.538 -4.129 340 H THR 53 H THR 53 -3.713 -2.882 -2.351 341 HA THR 53 HA THR 53 -5.861 -4.387 -3.104 342 HB THR 53 HB THR 53 -3.677 -5.331 -1.237 343 HG1 THR 53 1HG THR 53 -2.410 -5.308 -2.936 344 HG21 THR 53 1HG2 THR 53 -5.516 -6.919 -1.394 345 HG22 THR 53 2HG2 THR 53 -4.106 -7.533 -2.258 346 HG23 THR 53 3HG2 THR 53 -5.457 -6.840 -3.154 347 H ALA 54 H ALA 54 -4.994 -3.391 0.157 348 HA ALA 54 HA ALA 54 -6.850 -5.026 1.531 349 HB1 ALA 54 1HB ALA 54 -6.552 -2.982 3.236 350 HB2 ALA 54 2HB ALA 54 -5.340 -4.246 3.024 351 HB3 ALA 54 3HB ALA 54 -5.155 -2.699 2.197 352 H ALA 55 H ALA 55 -7.050 -1.775 0.172 353 HA ALA 55 HA ALA 55 -9.669 -1.259 1.221 354 HB1 ALA 55 1HB ALA 55 -8.259 0.619 0.820 355 HB2 ALA 55 2HB ALA 55 -8.010 0.148 -0.861 356 HB3 ALA 55 3HB ALA 55 -9.595 0.707 -0.328 357 H MET 56 H MET 56 -8.353 -2.254 -1.913 358 HA MET 56 HA MET 56 -10.804 -2.211 -3.316 359 HB2 MET 56 1HB MET 56 -8.300 -3.824 -3.834 360 HB3 MET 56 2HB MET 56 -9.631 -3.641 -4.968 361 HG2 MET 56 1HG MET 56 -9.201 -1.127 -4.776 362 HG3 MET 56 2HG MET 56 -7.670 -1.582 -4.033 363 HE1 MET 56 1HE MET 56 -5.499 -1.614 -5.688 364 HE2 MET 56 2HE MET 56 -6.021 -3.176 -5.055 365 HE3 MET 56 3HE MET 56 -5.555 -3.022 -6.750 366 H LYS 57 H LYS 57 -9.131 -4.729 -1.492 367 HA LYS 57 HA LYS 57 -10.698 -6.919 -2.177 368 HB2 LYS 57 1HB LYS 57 -9.030 -6.187 0.179 369 HB3 LYS 57 2HB LYS 57 -10.119 -7.557 0.345 370 HG2 LYS 57 1HG LYS 57 -9.020 -8.298 -1.920 371 HG3 LYS 57 2HG LYS 57 -7.716 -7.239 -1.378 372 HD2 LYS 57 1HD LYS 57 -8.892 -9.454 0.296 373 HD3 LYS 57 2HD LYS 57 -7.457 -9.640 -0.716 374 HE2 LYS 57 1HE LYS 57 -6.560 -7.595 0.578 375 HE3 LYS 57 2HE LYS 57 -7.833 -7.963 1.741 376 HZ1 LYS 57 1HZ LYS 57 -6.707 -10.366 1.399 377 HZ2 LYS 57 2HZ LYS 57 -6.277 -9.286 2.627 378 HZ3 LYS 57 3HZ LYS 57 -5.358 -9.362 1.209 379 H ARG 58 H ARG 58 -11.188 -4.517 0.387 380 HA ARG 58 HA ARG 58 -13.341 -5.561 1.711 381 HB2 ARG 58 1HB ARG 58 -12.527 -2.762 1.050 382 HB3 ARG 58 2HB ARG 58 -14.087 -3.035 1.814 383 HG2 ARG 58 1HG ARG 58 -12.769 -4.389 3.553 384 HG3 ARG 58 2HG ARG 58 -11.349 -3.579 2.888 385 HD2 ARG 58 1HD ARG 58 -12.456 -1.400 3.316 386 HD3 ARG 58 2HD ARG 58 -13.782 -2.266 4.091 387 HE ARG 58 HE ARG 58 -11.615 -3.140 5.444 388 HH11 ARG 58 2HH1 ARG 58 -12.794 0.034 4.633 389 HH12 ARG 58 1HH1 ARG 58 -12.131 0.784 6.046 390 HH21 ARG 58 2HH2 ARG 58 -10.737 -2.163 7.309 391 HH22 ARG 58 1HH2 ARG 58 -10.960 -0.466 7.568 392 H ARG 59 H ARG 59 -13.417 -3.659 -1.288 393 HA ARG 59 HA ARG 59 -16.246 -3.764 -1.566 394 HB2 ARG 59 1HB ARG 59 -13.963 -2.955 -3.314 395 HB3 ARG 59 2HB ARG 59 -15.537 -3.216 -4.051 396 HG2 ARG 59 1HG ARG 59 -15.534 -0.948 -3.601 397 HG3 ARG 59 2HG ARG 59 -16.413 -1.623 -2.228 398 HD2 ARG 59 1HD ARG 59 -14.718 -1.195 -0.756 399 HD3 ARG 59 2HD ARG 59 -13.467 -1.330 -1.991 400 HE ARG 59 HE ARG 59 -14.664 0.906 -2.757 401 HH11 ARG 59 2HH1 ARG 59 -13.725 -0.152 0.424 402 HH12 ARG 59 1HH1 ARG 59 -13.460 1.452 1.022 403 HH21 ARG 59 2HH2 ARG 59 -14.317 3.023 -1.981 404 HH22 ARG 59 1HH2 ARG 59 -13.798 3.258 -0.347 405 H GLY 60 H GLY 60 -13.603 -5.809 -2.611 406 HA2 GLY 60 1HA GLY 60 -14.470 -8.205 -2.814 407 HA3 GLY 60 2HA GLY 60 -15.522 -7.526 -4.047 408 H SER 61 H SER 61 -12.946 -9.380 -3.760 409 HA SER 61 HA SER 61 -11.751 -8.386 -6.259 410 HB2 SER 61 1HB SER 61 -10.216 -7.871 -4.419 411 HB3 SER 61 2HB SER 61 -10.250 -9.557 -3.903 412 HG SER 61 HG SER 61 -9.245 -10.131 -5.827 413 H ARG 62 H ARG 62 -12.648 -9.826 -7.642 414 HA ARG 62 HA ARG 62 -13.118 -12.547 -7.087 415 HB2 ARG 62 1HB ARG 62 -12.986 -10.920 -9.604 416 HB3 ARG 62 2HB ARG 62 -13.142 -12.669 -9.692 417 HG2 ARG 62 1HG ARG 62 -15.337 -12.095 -9.741 418 HG3 ARG 62 2HG ARG 62 -15.117 -12.220 -7.995 419 HD2 ARG 62 1HD ARG 62 -16.148 -10.183 -8.121 420 HD3 ARG 62 2HD ARG 62 -14.462 -9.680 -8.238 421 HE ARG 62 HE ARG 62 -14.813 -9.082 -10.438 422 HH11 ARG 62 2HH1 ARG 62 -17.571 -10.818 -9.213 423 HH12 ARG 62 1HH1 ARG 62 -18.581 -10.428 -10.565 424 HH21 ARG 62 2HH2 ARG 62 -16.133 -8.563 -12.224 425 HH22 ARG 62 1HH2 ARG 62 -17.762 -9.146 -12.278 426 H HIS 63 H HIS 63 -11.572 -13.964 -6.612 427 HA HIS 63 HA HIS 63 -9.477 -14.507 -8.496 428 HB2 HIS 63 1HB HIS 63 -8.682 -12.574 -6.936 429 HB3 HIS 63 2HB HIS 63 -8.501 -13.849 -5.735 430 HD1 HIS 63 1HD HIS 63 -5.974 -13.846 -5.637 431 HD2 HIS 63 2HD HIS 63 -7.450 -14.343 -9.489 432 HE1 HIS 63 1HE HIS 63 -3.984 -14.464 -7.045 433 HE2 HIS 63 2HE HIS 63 -4.887 -14.676 -9.387 434 H LYS 64 H LYS 64 -9.280 -16.639 -8.563 435 HA LYS 64 HA LYS 64 -10.611 -18.406 -6.889 436 HB2 LYS 64 1HB LYS 64 -9.608 -18.825 -9.207 437 HB3 LYS 64 2HB LYS 64 -8.089 -19.126 -8.373 438 HG2 LYS 64 1HG LYS 64 -10.526 -20.602 -7.507 439 HG3 LYS 64 2HG LYS 64 -9.700 -21.092 -8.988 440 HD2 LYS 64 1HD LYS 64 -8.171 -20.686 -6.443 441 HD3 LYS 64 2HD LYS 64 -9.024 -22.201 -6.751 442 HE2 LYS 64 1HE LYS 64 -6.994 -22.729 -7.644 443 HE3 LYS 64 2HE LYS 64 -7.756 -22.020 -9.066 444 HZ1 LYS 64 1HZ LYS 64 -6.245 -20.416 -9.108 445 HZ2 LYS 64 2HZ LYS 64 -5.391 -21.241 -7.904 446 HZ3 LYS 64 3HZ LYS 64 -6.492 -20.029 -7.480 447 H SER 65 H SER 65 -10.214 -19.245 -4.943 448 HA SER 65 HA SER 65 -7.558 -19.612 -3.927 449 HB2 SER 65 1HB SER 65 -7.705 -17.266 -3.417 450 HB3 SER 65 2HB SER 65 -9.321 -17.461 -2.738 451 HG SER 65 HG SER 65 -6.861 -18.399 -1.695 452 H GLY 66 H GLY 66 -7.514 -21.213 -2.447 453 HA2 GLY 66 1HA GLY 66 -9.990 -22.573 -1.864 454 HA3 GLY 66 2HA GLY 66 -8.377 -23.097 -1.407 455 HA PRO 67 HA PRO 67 -10.674 -20.483 1.999 456 HB2 PRO 67 1HB PRO 67 -12.821 -21.964 2.749 457 HB3 PRO 67 2HB PRO 67 -12.915 -20.685 1.534 458 HG2 PRO 67 1HG PRO 67 -12.703 -23.646 1.154 459 HG3 PRO 67 2HG PRO 67 -13.726 -22.479 0.297 460 HD2 PRO 67 1HD PRO 67 -11.417 -23.434 -0.747 461 HD3 PRO 67 2HD PRO 67 -12.009 -21.793 -1.079 462 H SER 68 H SER 68 -11.054 -21.210 4.313 463 HA SER 68 HA SER 68 -8.951 -22.702 5.257 464 HB2 SER 68 1HB SER 68 -10.115 -21.310 6.794 465 HB3 SER 68 2HB SER 68 -11.646 -22.131 6.490 466 HG SER 68 HG SER 68 -9.684 -23.821 7.356 467 H SER 69 H SER 69 -8.483 -24.799 5.462 468 HA SER 69 HA SER 69 -9.806 -26.800 4.116 469 HB2 SER 69 1HB SER 69 -7.485 -26.973 4.975 470 HB3 SER 69 2HB SER 69 -8.124 -27.158 6.609 471 HG SER 69 HG SER 69 -8.698 -29.153 6.172 472 H GLY 70 H GLY 70 -11.339 -28.325 4.595 473 HA2 GLY 70 1HA GLY 70 -12.854 -27.851 7.084 474 HA3 GLY 70 2HA GLY 70 -13.560 -28.427 5.581 Start of MODEL 18 1 H1 GLY 1 H GLY 1 15.663 16.307 17.908 2 HA2 GLY 1 1HA GLY 1 13.743 17.381 15.940 3 HA3 GLY 1 2HA GLY 1 15.479 17.651 15.891 4 H SER 2 H SER 2 12.890 15.458 15.160 5 HA SER 2 HA SER 2 14.328 13.166 14.483 6 HB2 SER 2 1HB SER 2 12.392 12.541 13.129 7 HB3 SER 2 2HB SER 2 11.860 13.256 14.651 8 HG SER 2 HG SER 2 11.323 14.047 12.152 9 H SER 3 H SER 3 14.629 12.309 12.240 10 HA SER 3 HA SER 3 15.564 14.434 10.424 11 HB2 SER 3 1HB SER 3 16.860 11.735 10.876 12 HB3 SER 3 2HB SER 3 17.424 12.984 9.766 13 HG SER 3 HG SER 3 17.059 13.754 12.405 14 H GLY 4 H GLY 4 12.992 13.383 10.268 15 HA2 GLY 4 1HA GLY 4 13.164 11.986 7.684 16 HA3 GLY 4 2HA GLY 4 12.104 11.358 8.937 17 H SER 5 H SER 5 12.795 14.550 7.498 18 HA SER 5 HA SER 5 10.270 15.640 7.920 19 HB2 SER 5 1HB SER 5 12.205 16.252 5.673 20 HB3 SER 5 2HB SER 5 10.867 17.282 6.183 21 HG SER 5 HG SER 5 13.215 16.614 7.613 22 H SER 6 H SER 6 11.547 14.128 4.957 23 HA SER 6 HA SER 6 8.933 14.136 3.726 24 HB2 SER 6 1HB SER 6 11.694 13.398 2.884 25 HB3 SER 6 2HB SER 6 10.350 12.651 2.021 26 HG SER 6 HG SER 6 9.664 15.114 2.128 27 H GLY 7 H GLY 7 8.178 12.034 2.669 28 HA2 GLY 7 1HA GLY 7 8.854 9.530 3.780 29 HA3 GLY 7 2HA GLY 7 7.487 10.197 4.660 30 H TYR 8 H TYR 8 8.295 8.179 2.220 31 HA TYR 8 HA TYR 8 5.755 8.654 0.802 32 HB2 TYR 8 1HB TYR 8 8.454 7.850 -0.194 33 HB3 TYR 8 2HB TYR 8 7.032 7.236 -1.029 34 HD1 TYR 8 1HD TYR 8 8.944 10.257 -0.170 35 HD2 TYR 8 2HD TYR 8 5.643 8.691 -2.351 36 HE1 TYR 8 1HE TYR 8 8.779 12.367 -1.423 37 HE2 TYR 8 2HE TYR 8 5.470 10.797 -3.611 38 HH TYR 8 HH TYR 8 6.839 13.610 -2.687 39 H CYS 9 H CYS 9 8.030 5.926 0.880 40 HA CYS 9 HA CYS 9 6.303 3.860 0.641 41 HB2 CYS 9 1HB CYS 9 8.758 3.615 0.795 42 HB3 CYS 9 2HB CYS 9 8.667 3.906 2.529 43 H ILE 10 H ILE 10 5.495 2.283 2.261 44 HA ILE 10 HA ILE 10 3.658 3.426 3.996 45 HB ILE 10 HB ILE 10 3.602 1.110 5.083 46 HG12 ILE 10 1HG1 ILE 10 5.368 0.388 2.744 47 HG13 ILE 10 2HG1 ILE 10 5.993 0.614 4.374 48 HG21 ILE 10 1HG2 ILE 10 2.764 2.029 2.494 49 HG22 ILE 10 2HG2 ILE 10 3.062 0.292 2.461 50 HG23 ILE 10 3HG2 ILE 10 1.929 0.969 3.630 51 HD11 ILE 10 1HD1 ILE 10 4.772 -1.235 5.192 52 HD12 ILE 10 2HD1 ILE 10 3.822 -1.349 3.710 53 HD13 ILE 10 3HD1 ILE 10 5.538 -1.754 3.691 54 H CYS 11 H CYS 11 7.000 2.647 4.497 55 HA CYS 11 HA CYS 11 6.864 2.790 7.374 56 HB2 CYS 11 1HB CYS 11 9.333 2.641 7.257 57 HB3 CYS 11 2HB CYS 11 8.541 1.364 6.341 58 H ASN 12 H ASN 12 6.273 5.090 5.307 59 HA ASN 12 HA ASN 12 6.520 7.354 5.190 60 HB2 ASN 12 1HB ASN 12 5.472 7.025 7.454 61 HB3 ASN 12 2HB ASN 12 7.086 7.130 8.151 62 HD21 ASN 12 1HD2 ASN 12 4.455 8.849 6.759 63 HD22 ASN 12 2HD2 ASN 12 5.075 10.441 7.014 64 H GLN 13 H GLN 13 8.752 6.233 4.264 65 HA GLN 13 HA GLN 13 10.894 7.906 5.398 66 HB2 GLN 13 1HB GLN 13 11.117 5.102 4.297 67 HB3 GLN 13 2HB GLN 13 12.498 6.130 4.656 68 HG2 GLN 13 1HG GLN 13 10.511 5.674 6.809 69 HG3 GLN 13 2HG GLN 13 11.587 4.347 6.376 70 HE21 GLN 13 1HE2 GLN 13 11.620 7.793 7.187 71 HE22 GLN 13 2HE2 GLN 13 13.117 7.754 8.049 72 H VAL 14 H VAL 14 12.593 8.483 3.842 73 HA VAL 14 HA VAL 14 11.578 9.659 1.536 74 HB VAL 14 HB VAL 14 13.970 9.880 0.813 75 HG11 VAL 14 1HG1 VAL 14 13.434 10.633 3.684 76 HG12 VAL 14 2HG1 VAL 14 14.578 11.407 2.586 77 HG13 VAL 14 3HG1 VAL 14 12.845 11.519 2.278 78 HG21 VAL 14 1HG2 VAL 14 15.363 9.183 3.097 79 HG22 VAL 14 2HG2 VAL 14 14.278 7.817 2.835 80 HG23 VAL 14 3HG2 VAL 14 15.384 8.322 1.558 81 H SER 15 H SER 15 12.248 9.234 -0.722 82 HA SER 15 HA SER 15 11.805 6.433 -1.352 83 HB2 SER 15 1HB SER 15 11.801 8.967 -2.983 84 HB3 SER 15 2HB SER 15 11.750 7.378 -3.747 85 HG SER 15 HG SER 15 9.657 8.299 -3.350 86 H TYR 16 H TYR 16 13.771 5.465 -0.837 87 HA TYR 16 HA TYR 16 16.006 6.181 -2.621 88 HB2 TYR 16 1HB TYR 16 17.577 5.619 -0.912 89 HB3 TYR 16 2HB TYR 16 16.394 6.699 -0.182 90 HD1 TYR 16 1HD TYR 16 17.292 3.107 -0.526 91 HD2 TYR 16 2HD TYR 16 15.230 6.055 1.745 92 HE1 TYR 16 1HE TYR 16 16.879 1.447 1.241 93 HE2 TYR 16 2HE TYR 16 14.812 4.403 3.519 94 HH TYR 16 HH TYR 16 16.343 1.312 3.551 95 H GLY 17 H GLY 17 17.629 4.226 -2.678 96 HA2 GLY 17 1HA GLY 17 17.974 2.143 -3.589 97 HA3 GLY 17 2HA GLY 17 16.879 1.599 -2.327 98 H GLU 18 H GLU 18 16.622 0.022 -4.275 99 HA GLU 18 HA GLU 18 15.119 0.818 -6.520 100 HB2 GLU 18 1HB GLU 18 15.783 -1.772 -5.214 101 HB3 GLU 18 2HB GLU 18 14.440 -1.758 -6.348 102 HG2 GLU 18 1HG GLU 18 16.202 -0.491 -7.857 103 HG3 GLU 18 2HG GLU 18 17.338 -1.362 -6.828 104 H MET 19 H MET 19 13.140 1.639 -6.513 105 HA MET 19 HA MET 19 11.215 0.652 -4.512 106 HB2 MET 19 1HB MET 19 11.431 3.372 -5.807 107 HB3 MET 19 2HB MET 19 10.063 2.862 -4.827 108 HG2 MET 19 1HG MET 19 11.976 2.331 -3.084 109 HG3 MET 19 2HG MET 19 12.827 3.559 -4.018 110 HE1 MET 19 1HE MET 19 8.718 4.251 -2.105 111 HE2 MET 19 2HE MET 19 9.256 2.832 -3.004 112 HE3 MET 19 3HE MET 19 9.777 3.069 -1.335 113 H VAL 20 H VAL 20 9.069 0.292 -5.168 114 HA VAL 20 HA VAL 20 8.720 0.030 -8.084 115 HB VAL 20 HB VAL 20 8.780 -2.168 -7.199 116 HG11 VAL 20 1HG1 VAL 20 6.778 -1.287 -5.121 117 HG12 VAL 20 2HG1 VAL 20 7.445 -2.911 -5.306 118 HG13 VAL 20 3HG1 VAL 20 8.495 -1.573 -4.836 119 HG21 VAL 20 1HG2 VAL 20 6.999 -2.820 -8.363 120 HG22 VAL 20 2HG2 VAL 20 5.896 -2.180 -7.145 121 HG23 VAL 20 3HG2 VAL 20 6.499 -1.129 -8.426 122 H GLY 21 H GLY 21 7.451 1.645 -8.752 123 HA2 GLY 21 1HA GLY 21 5.573 2.992 -7.111 124 HA3 GLY 21 2HA GLY 21 5.705 3.135 -8.858 125 H CYS 22 H CYS 22 3.634 2.358 -6.472 126 HA CYS 22 HA CYS 22 2.371 0.011 -7.069 127 HB2 CYS 22 1HB CYS 22 1.705 1.519 -5.233 128 HB3 CYS 22 2HB CYS 22 1.011 2.632 -6.407 129 H ASP 23 H ASP 23 1.026 -0.765 -8.610 130 HA ASP 23 HA ASP 23 1.059 0.331 -11.181 131 HB2 ASP 23 1HB ASP 23 0.506 -2.092 -10.325 132 HB3 ASP 23 2HB ASP 23 -1.154 -1.501 -10.339 133 H ASN 24 H ASN 24 -1.127 0.808 -8.515 134 HA ASN 24 HA ASN 24 -3.163 2.075 -10.122 135 HB2 ASN 24 1HB ASN 24 -3.688 0.792 -8.043 136 HB3 ASN 24 2HB ASN 24 -2.872 2.044 -7.111 137 HD21 ASN 24 1HD2 ASN 24 -4.952 2.216 -6.042 138 HD22 ASN 24 2HD2 ASN 24 -6.180 3.207 -6.746 139 H GLN 25 H GLN 25 -2.958 4.068 -10.875 140 HA GLN 25 HA GLN 25 -0.971 5.879 -9.941 141 HB2 GLN 25 1HB GLN 25 -2.221 5.630 -12.283 142 HB3 GLN 25 2HB GLN 25 -3.252 6.867 -11.576 143 HG2 GLN 25 1HG GLN 25 -0.941 8.012 -11.052 144 HG3 GLN 25 2HG GLN 25 -0.405 7.011 -12.400 145 HE21 GLN 25 1HE2 GLN 25 0.002 8.929 -13.577 146 HE22 GLN 25 2HE2 GLN 25 -1.288 9.803 -14.324 147 H ASP 26 H ASP 26 -4.039 5.108 -8.809 148 HA ASP 26 HA ASP 26 -4.632 7.741 -7.737 149 HB2 ASP 26 1HB ASP 26 -6.056 5.094 -7.392 150 HB3 ASP 26 2HB ASP 26 -6.638 6.643 -6.788 151 H CYS 27 H CYS 27 -2.498 5.451 -6.916 152 HA CYS 27 HA CYS 27 -2.956 5.078 -4.142 153 HB2 CYS 27 1HB CYS 27 -1.333 3.868 -5.873 154 HB3 CYS 27 2HB CYS 27 -0.179 5.030 -5.225 155 HA PRO 28 HA PRO 28 -1.753 9.042 -2.613 156 HB2 PRO 28 1HB PRO 28 -1.417 8.344 -0.011 157 HB3 PRO 28 2HB PRO 28 -3.008 8.527 -0.758 158 HG2 PRO 28 1HG PRO 28 -1.440 6.032 -0.229 159 HG3 PRO 28 2HG PRO 28 -3.170 6.338 0.010 160 HD2 PRO 28 1HD PRO 28 -2.210 4.997 -2.138 161 HD3 PRO 28 2HD PRO 28 -3.663 6.014 -2.219 162 H ILE 29 H ILE 29 0.221 6.249 -2.602 163 HA ILE 29 HA ILE 29 2.564 7.857 -1.816 164 HB ILE 29 HB ILE 29 2.427 4.847 -1.769 165 HG12 ILE 29 1HG1 ILE 29 2.202 6.601 0.667 166 HG13 ILE 29 2HG1 ILE 29 0.772 6.079 -0.217 167 HG21 ILE 29 1HG2 ILE 29 4.377 5.088 -0.281 168 HG22 ILE 29 2HG2 ILE 29 4.662 5.763 -1.885 169 HG23 ILE 29 3HG2 ILE 29 4.322 6.834 -0.525 170 HD11 ILE 29 1HD1 ILE 29 1.687 4.735 1.845 171 HD12 ILE 29 2HD1 ILE 29 0.984 3.913 0.452 172 HD13 ILE 29 3HD1 ILE 29 2.736 4.018 0.622 173 H GLU 30 H GLU 30 1.658 5.084 -3.872 174 HA GLU 30 HA GLU 30 2.321 4.458 -5.956 175 HB2 GLU 30 1HB GLU 30 3.287 7.306 -6.250 176 HB3 GLU 30 2HB GLU 30 2.940 6.174 -7.550 177 HG2 GLU 30 1HG GLU 30 0.562 6.128 -6.707 178 HG3 GLU 30 2HG GLU 30 0.997 7.493 -5.680 179 H TRP 31 H TRP 31 4.168 4.420 -3.613 180 HA TRP 31 HA TRP 31 6.496 3.542 -5.021 181 HB2 TRP 31 1HB TRP 31 6.685 6.033 -3.317 182 HB3 TRP 31 2HB TRP 31 8.078 5.087 -3.836 183 HD1 TRP 31 HD TRP 31 5.601 7.672 -5.059 184 HE1 TRP 31 1HE TRP 31 6.275 8.441 -7.422 185 HE3 TRP 31 3HE TRP 31 9.226 4.202 -6.039 186 HZ2 TRP 31 2HZ TRP 31 8.101 7.677 -9.434 187 HZ3 TRP 31 3HZ TRP 31 10.388 4.290 -8.206 188 HH2 TRP 31 HH TRP 31 9.835 5.992 -9.868 189 H PHE 32 H PHE 32 7.245 1.838 -3.952 190 HA PHE 32 HA PHE 32 7.190 1.814 -1.032 191 HB2 PHE 32 1HB PHE 32 6.009 -0.397 -2.727 192 HB3 PHE 32 2HB PHE 32 6.206 -0.442 -0.978 193 HD1 PHE 32 1HD PHE 32 4.569 1.523 -3.678 194 HD2 PHE 32 2HD PHE 32 4.489 0.280 0.392 195 HE1 PHE 32 1HE PHE 32 2.353 2.559 -3.408 196 HE2 PHE 32 2HE PHE 32 2.274 1.313 0.668 197 HZ PHE 32 HZ PHE 32 1.202 2.454 -1.234 198 H HIS 33 H HIS 33 8.852 0.700 -0.108 199 HA HIS 33 HA HIS 33 11.105 0.097 -1.726 200 HB2 HIS 33 1HB HIS 33 10.616 -0.573 1.184 201 HB3 HIS 33 2HB HIS 33 12.177 -0.593 0.368 202 HD2 HIS 33 2HD HIS 33 11.678 2.409 -1.116 203 HE1 HIS 33 1HE HIS 33 11.648 3.730 2.915 204 HE2 HIS 33 2HE HIS 33 11.805 4.425 0.499 205 H TYR 34 H TYR 34 12.154 -1.911 -2.034 206 HA TYR 34 HA TYR 34 10.400 -4.057 -2.642 207 HB2 TYR 34 1HB TYR 34 13.376 -3.688 -2.702 208 HB3 TYR 34 2HB TYR 34 12.684 -5.289 -2.942 209 HD1 TYR 34 2HD TYR 34 10.980 -2.247 -4.091 210 HD2 TYR 34 1HD TYR 34 13.497 -5.491 -5.208 211 HE1 TYR 34 2HE TYR 34 10.596 -1.721 -6.463 212 HE2 TYR 34 1HE TYR 34 13.121 -4.972 -7.583 213 HH TYR 34 HH TYR 34 12.239 -3.523 -9.034 214 H GLY 35 H GLY 35 12.583 -3.376 0.029 215 HA2 GLY 35 1HA GLY 35 12.341 -5.992 1.195 216 HA3 GLY 35 2HA GLY 35 13.074 -4.579 1.942 217 H CYS 36 H CYS 36 10.574 -3.010 1.413 218 HA CYS 36 HA CYS 36 9.277 -3.641 3.896 219 HB2 CYS 36 1HB CYS 36 8.967 -1.507 1.816 220 HB3 CYS 36 2HB CYS 36 7.702 -1.735 3.019 221 H VAL 37 H VAL 37 8.485 -3.918 0.471 222 HA VAL 37 HA VAL 37 5.882 -5.079 1.114 223 HB VAL 37 HB VAL 37 5.352 -4.923 -1.208 224 HG11 VAL 37 1HG1 VAL 37 5.070 -2.837 -0.146 225 HG12 VAL 37 2HG1 VAL 37 6.804 -2.507 -0.159 226 HG13 VAL 37 3HG1 VAL 37 5.890 -2.486 -1.667 227 HG21 VAL 37 1HG2 VAL 37 6.948 -4.278 -2.914 228 HG22 VAL 37 2HG2 VAL 37 8.225 -4.143 -1.705 229 HG23 VAL 37 3HG2 VAL 37 7.520 -5.717 -2.072 230 H GLY 38 H GLY 38 9.070 -6.023 0.269 231 HA2 GLY 38 1HA GLY 38 9.939 -8.183 0.312 232 HA3 GLY 38 2HA GLY 38 8.301 -8.814 0.381 233 H LEU 39 H LEU 39 10.575 -7.215 -1.833 234 HA LEU 39 HA LEU 39 9.565 -8.955 -3.973 235 HB2 LEU 39 1HB LEU 39 9.874 -5.984 -3.989 236 HB3 LEU 39 2HB LEU 39 10.092 -6.894 -5.482 237 HG LEU 39 HG LEU 39 7.585 -6.964 -3.807 238 HD11 LEU 39 1HD1 LEU 39 7.980 -5.490 -6.396 239 HD12 LEU 39 2HD1 LEU 39 8.147 -4.718 -4.819 240 HD13 LEU 39 3HD1 LEU 39 6.602 -5.422 -5.297 241 HD21 LEU 39 1HD2 LEU 39 7.557 -7.653 -6.665 242 HD22 LEU 39 2HD2 LEU 39 6.732 -8.412 -5.303 243 HD23 LEU 39 3HD2 LEU 39 8.427 -8.781 -5.625 244 H THR 40 H THR 40 11.442 -10.233 -3.496 245 HA THR 40 HA THR 40 14.056 -9.525 -3.352 246 HB THR 40 HB THR 40 14.660 -11.671 -4.329 247 HG1 THR 40 1HG THR 40 13.276 -11.782 -6.091 248 HG21 THR 40 1HG2 THR 40 14.039 -12.351 -2.284 249 HG22 THR 40 2HG2 THR 40 12.581 -12.960 -3.068 250 HG23 THR 40 3HG2 THR 40 12.575 -11.369 -2.309 251 H GLU 41 H GLU 41 12.022 -9.402 -6.180 252 HA GLU 41 HA GLU 41 14.018 -7.852 -7.577 253 HB2 GLU 41 1HB GLU 41 14.368 -9.240 -9.416 254 HB3 GLU 41 2HB GLU 41 14.428 -10.356 -8.060 255 HG2 GLU 41 1HG GLU 41 11.851 -10.582 -8.600 256 HG3 GLU 41 2HG GLU 41 12.395 -10.070 -10.197 257 H ALA 42 H ALA 42 13.067 -7.457 -9.954 258 HA ALA 42 HA ALA 42 10.721 -5.962 -9.607 259 HB1 ALA 42 1HB ALA 42 12.048 -5.210 -11.340 260 HB2 ALA 42 2HB ALA 42 12.294 -6.829 -11.995 261 HB3 ALA 42 3HB ALA 42 10.742 -6.019 -12.205 262 HA PRO 43 HA PRO 43 7.597 -9.075 -9.914 263 HB2 PRO 43 1HB PRO 43 5.484 -7.421 -10.325 264 HB3 PRO 43 2HB PRO 43 6.259 -7.616 -8.748 265 HG2 PRO 43 1HG PRO 43 6.623 -5.450 -10.783 266 HG3 PRO 43 2HG PRO 43 6.468 -5.316 -9.021 267 HD2 PRO 43 1HD PRO 43 8.858 -5.193 -10.288 268 HD3 PRO 43 2HD PRO 43 8.675 -5.876 -8.659 269 H LYS 44 H LYS 44 8.034 -10.177 -11.806 270 HA LYS 44 HA LYS 44 8.168 -9.477 -14.372 271 HB2 LYS 44 1HB LYS 44 7.918 -11.849 -13.174 272 HB3 LYS 44 2HB LYS 44 6.304 -11.741 -13.864 273 HG2 LYS 44 1HG LYS 44 7.683 -11.112 -16.038 274 HG3 LYS 44 2HG LYS 44 8.929 -12.044 -15.205 275 HD2 LYS 44 1HD LYS 44 6.180 -13.177 -15.376 276 HD3 LYS 44 2HD LYS 44 7.192 -13.202 -16.822 277 HE2 LYS 44 1HE LYS 44 7.680 -15.235 -15.823 278 HE3 LYS 44 2HE LYS 44 8.990 -14.202 -15.254 279 HZ1 LYS 44 1HZ LYS 44 8.387 -14.989 -13.260 280 HZ2 LYS 44 2HZ LYS 44 6.839 -15.442 -13.770 281 HZ3 LYS 44 3HZ LYS 44 7.153 -13.835 -13.346 282 H GLY 45 H GLY 45 5.007 -10.319 -12.932 283 HA2 GLY 45 1HA GLY 45 3.632 -9.022 -15.132 284 HA3 GLY 45 2HA GLY 45 2.885 -9.885 -13.797 285 H LYS 46 H LYS 46 1.390 -8.372 -13.219 286 HA LYS 46 HA LYS 46 2.238 -5.633 -12.715 287 HB2 LYS 46 1HB LYS 46 -0.467 -6.973 -12.569 288 HB3 LYS 46 2HB LYS 46 -0.192 -5.275 -12.206 289 HG2 LYS 46 1HG LYS 46 0.582 -6.465 -14.846 290 HG3 LYS 46 2HG LYS 46 -1.049 -5.869 -14.530 291 HD2 LYS 46 1HD LYS 46 -0.181 -3.935 -15.320 292 HD3 LYS 46 2HD LYS 46 0.381 -3.769 -13.655 293 HE2 LYS 46 1HE LYS 46 2.360 -3.421 -14.711 294 HE3 LYS 46 2HE LYS 46 2.418 -5.181 -14.632 295 HZ1 LYS 46 1HZ LYS 46 1.499 -3.572 -16.953 296 HZ2 LYS 46 2HZ LYS 46 1.512 -5.262 -16.881 297 HZ3 LYS 46 3HZ LYS 46 2.968 -4.402 -16.839 298 H TRP 47 H TRP 47 2.353 -4.675 -10.732 299 HA TRP 47 HA TRP 47 1.929 -6.424 -8.397 300 HB2 TRP 47 1HB TRP 47 4.315 -6.089 -8.770 301 HB3 TRP 47 2HB TRP 47 4.086 -4.343 -8.807 302 HD1 TRP 47 HD TRP 47 4.268 -7.290 -6.386 303 HE1 TRP 47 1HE TRP 47 4.523 -6.379 -3.992 304 HE3 TRP 47 3HE TRP 47 3.544 -2.317 -7.328 305 HZ2 TRP 47 2HZ TRP 47 4.429 -3.882 -2.678 306 HZ3 TRP 47 3HZ TRP 47 3.642 -0.734 -5.448 307 HH2 TRP 47 HH TRP 47 4.075 -1.502 -3.171 308 H TYR 48 H TYR 48 0.739 -5.634 -6.755 309 HA TYR 48 HA TYR 48 0.004 -2.783 -6.838 310 HB2 TYR 48 1HB TYR 48 -1.781 -5.170 -6.358 311 HB3 TYR 48 2HB TYR 48 -2.253 -3.524 -5.951 312 HD1 TYR 48 2HD TYR 48 -1.561 -5.865 -8.691 313 HD2 TYR 48 1HD TYR 48 -2.818 -1.929 -7.676 314 HE1 TYR 48 2HE TYR 48 -2.355 -5.530 -10.995 315 HE2 TYR 48 1HE TYR 48 -3.617 -1.584 -9.977 316 HH TYR 48 HH TYR 48 -4.277 -3.865 -12.054 317 H CYS 49 H CYS 49 0.672 -1.775 -5.075 318 HA CYS 49 HA CYS 49 1.890 -2.790 -2.881 319 HB2 CYS 49 1HB CYS 49 1.593 -0.716 -1.824 320 HB3 CYS 49 2HB CYS 49 1.490 -0.332 -3.539 321 HA PRO 50 HA PRO 50 -0.992 -4.898 -0.332 322 HB2 PRO 50 1HB PRO 50 -0.070 -4.291 2.148 323 HB3 PRO 50 2HB PRO 50 0.771 -5.397 1.055 324 HG2 PRO 50 1HG PRO 50 1.317 -2.507 1.615 325 HG3 PRO 50 2HG PRO 50 2.463 -3.851 1.447 326 HD2 PRO 50 1HD PRO 50 1.982 -2.087 -0.551 327 HD3 PRO 50 2HD PRO 50 2.393 -3.787 -0.856 328 H GLN 51 H GLN 51 -0.749 -1.504 -0.276 329 HA GLN 51 HA GLN 51 -2.809 -1.072 1.702 330 HB2 GLN 51 1HB GLN 51 -1.076 0.645 0.004 331 HB3 GLN 51 2HB GLN 51 -2.603 1.329 0.547 332 HG2 GLN 51 1HG GLN 51 -1.996 0.943 2.854 333 HG3 GLN 51 2HG GLN 51 -0.501 0.154 2.352 334 HE21 GLN 51 1HE2 GLN 51 -2.036 3.091 1.128 335 HE22 GLN 51 2HE2 GLN 51 -0.722 4.148 1.504 336 H CYS 52 H CYS 52 -2.573 -1.401 -1.749 337 HA CYS 52 HA CYS 52 -5.268 -0.407 -2.192 338 HB2 CYS 52 1HB CYS 52 -3.068 -1.391 -3.989 339 HB3 CYS 52 2HB CYS 52 -4.709 -1.199 -4.597 340 H THR 53 H THR 53 -3.524 -3.451 -2.840 341 HA THR 53 HA THR 53 -5.594 -5.043 -3.639 342 HB THR 53 HB THR 53 -3.322 -5.865 -1.819 343 HG1 THR 53 1HG THR 53 -2.205 -6.207 -3.680 344 HG21 THR 53 1HG2 THR 53 -3.695 -8.121 -2.717 345 HG22 THR 53 2HG2 THR 53 -5.105 -7.533 -3.598 346 HG23 THR 53 3HG2 THR 53 -5.104 -7.534 -1.835 347 H ALA 54 H ALA 54 -4.937 -3.866 -0.429 348 HA ALA 54 HA ALA 54 -6.754 -5.676 0.881 349 HB1 ALA 54 1HB ALA 54 -6.395 -3.794 2.732 350 HB2 ALA 54 2HB ALA 54 -5.196 -5.045 2.405 351 HB3 ALA 54 3HB ALA 54 -5.004 -3.436 1.709 352 H ALA 55 H ALA 55 -6.827 -2.333 -0.251 353 HA ALA 55 HA ALA 55 -9.397 -1.743 0.841 354 HB1 ALA 55 1HB ALA 55 -8.423 -0.223 -1.506 355 HB2 ALA 55 2HB ALA 55 -9.100 0.351 0.018 356 HB3 ALA 55 3HB ALA 55 -7.423 -0.190 -0.054 357 H MET 56 H MET 56 -8.249 -2.558 -2.428 358 HA MET 56 HA MET 56 -10.696 -2.420 -3.749 359 HB2 MET 56 1HB MET 56 -8.346 -4.244 -4.290 360 HB3 MET 56 2HB MET 56 -9.674 -3.961 -5.407 361 HG2 MET 56 1HG MET 56 -9.025 -1.478 -5.201 362 HG3 MET 56 2HG MET 56 -7.510 -2.091 -4.543 363 HE1 MET 56 1HE MET 56 -7.184 -4.834 -6.249 364 HE2 MET 56 2HE MET 56 -6.113 -4.214 -7.505 365 HE3 MET 56 3HE MET 56 -5.896 -3.705 -5.830 366 H LYS 57 H LYS 57 -9.241 -5.056 -1.912 367 HA LYS 57 HA LYS 57 -11.123 -7.046 -2.582 368 HB2 LYS 57 1HB LYS 57 -9.102 -6.668 -0.425 369 HB3 LYS 57 2HB LYS 57 -10.333 -7.900 -0.186 370 HG2 LYS 57 1HG LYS 57 -9.642 -8.703 -2.547 371 HG3 LYS 57 2HG LYS 57 -8.182 -7.755 -2.254 372 HD2 LYS 57 1HD LYS 57 -9.165 -9.757 -0.247 373 HD3 LYS 57 2HD LYS 57 -8.171 -10.252 -1.619 374 HE2 LYS 57 1HE LYS 57 -6.541 -9.865 -0.062 375 HE3 LYS 57 2HE LYS 57 -6.648 -8.266 -0.798 376 HZ1 LYS 57 1HZ LYS 57 -6.630 -8.113 1.603 377 HZ2 LYS 57 2HZ LYS 57 -7.987 -9.117 1.714 378 HZ3 LYS 57 3HZ LYS 57 -8.122 -7.588 1.002 379 H ARG 58 H ARG 58 -10.917 -4.888 0.243 380 HA ARG 58 HA ARG 58 -13.107 -5.726 1.664 381 HB2 ARG 58 1HB ARG 58 -12.004 -2.949 1.257 382 HB3 ARG 58 2HB ARG 58 -13.312 -3.289 2.381 383 HG2 ARG 58 1HG ARG 58 -11.870 -4.806 3.624 384 HG3 ARG 58 2HG ARG 58 -10.558 -4.502 2.483 385 HD2 ARG 58 1HD ARG 58 -10.020 -3.045 4.178 386 HD3 ARG 58 2HD ARG 58 -10.975 -2.004 3.124 387 HE ARG 58 HE ARG 58 -12.592 -1.889 4.748 388 HH11 ARG 58 2HH1 ARG 58 -10.358 -4.447 5.513 389 HH12 ARG 58 1HH1 ARG 58 -11.002 -4.712 7.099 390 HH21 ARG 58 2HH2 ARG 58 -13.448 -2.228 6.835 391 HH22 ARG 58 1HH2 ARG 58 -12.760 -3.450 7.850 392 H ARG 59 H ARG 59 -13.068 -3.355 -0.986 393 HA ARG 59 HA ARG 59 -15.786 -2.726 -0.976 394 HB2 ARG 59 1HB ARG 59 -13.988 -2.859 -3.402 395 HB3 ARG 59 2HB ARG 59 -15.459 -1.910 -3.233 396 HG2 ARG 59 1HG ARG 59 -14.307 -0.687 -1.350 397 HG3 ARG 59 2HG ARG 59 -12.823 -1.496 -1.857 398 HD2 ARG 59 1HD ARG 59 -14.529 0.143 -3.717 399 HD3 ARG 59 2HD ARG 59 -13.190 0.819 -2.790 400 HE ARG 59 HE ARG 59 -12.497 -1.480 -4.386 401 HH11 ARG 59 2HH1 ARG 59 -12.789 1.987 -4.290 402 HH12 ARG 59 1HH1 ARG 59 -11.665 2.248 -5.583 403 HH21 ARG 59 2HH2 ARG 59 -11.016 -1.150 -6.089 404 HH22 ARG 59 1HH2 ARG 59 -10.658 0.463 -6.606 405 H GLY 60 H GLY 60 -14.071 -5.459 -2.339 406 HA2 GLY 60 1HA GLY 60 -15.890 -6.466 -4.145 407 HA3 GLY 60 2HA GLY 60 -14.856 -7.467 -3.138 408 H SER 61 H SER 61 -18.040 -6.212 -3.622 409 HA SER 61 HA SER 61 -20.066 -6.791 -2.766 410 HB2 SER 61 1HB SER 61 -18.380 -9.162 -2.103 411 HB3 SER 61 2HB SER 61 -19.965 -9.036 -1.341 412 HG SER 61 HG SER 61 -20.928 -9.154 -3.286 413 H ARG 62 H ARG 62 -18.216 -5.083 -1.271 414 HA ARG 62 HA ARG 62 -18.022 -5.473 1.415 415 HB2 ARG 62 1HB ARG 62 -18.355 -2.973 1.641 416 HB3 ARG 62 2HB ARG 62 -17.118 -3.481 0.498 417 HG2 ARG 62 1HG ARG 62 -18.152 -1.914 -0.769 418 HG3 ARG 62 2HG ARG 62 -19.146 -3.308 -1.199 419 HD2 ARG 62 1HD ARG 62 -20.539 -1.380 -0.687 420 HD3 ARG 62 2HD ARG 62 -20.782 -2.659 0.502 421 HE ARG 62 HE ARG 62 -18.831 -0.973 1.519 422 HH11 ARG 62 2HH1 ARG 62 -22.188 -0.792 0.614 423 HH12 ARG 62 1HH1 ARG 62 -22.567 0.444 1.767 424 HH21 ARG 62 2HH2 ARG 62 -19.318 0.654 3.042 425 HH22 ARG 62 1HH2 ARG 62 -20.934 1.267 3.147 426 H HIS 63 H HIS 63 -19.320 -4.630 3.222 427 HA HIS 63 HA HIS 63 -22.189 -4.446 2.730 428 HB2 HIS 63 1HB HIS 63 -21.376 -6.887 3.225 429 HB3 HIS 63 2HB HIS 63 -21.268 -6.313 4.886 430 HD1 HIS 63 1HD HIS 63 -23.469 -5.855 6.128 431 HD2 HIS 63 2HD HIS 63 -23.988 -7.132 2.209 432 HE1 HIS 63 1HE HIS 63 -25.912 -6.416 5.922 433 HE2 HIS 63 2HE HIS 63 -26.185 -7.267 3.567 434 H LYS 64 H LYS 64 -23.391 -3.666 4.590 435 HA LYS 64 HA LYS 64 -21.760 -1.851 6.197 436 HB2 LYS 64 1HB LYS 64 -23.788 -0.640 6.629 437 HB3 LYS 64 2HB LYS 64 -23.720 -0.993 4.908 438 HG2 LYS 64 1HG LYS 64 -25.196 -2.994 5.409 439 HG3 LYS 64 2HG LYS 64 -25.441 -2.278 7.003 440 HD2 LYS 64 1HD LYS 64 -25.872 -0.613 4.562 441 HD3 LYS 64 2HD LYS 64 -27.110 -1.771 5.052 442 HE2 LYS 64 1HE LYS 64 -25.947 0.318 6.886 443 HE3 LYS 64 2HE LYS 64 -27.415 0.557 5.939 444 HZ1 LYS 64 1HZ LYS 64 -28.547 -0.447 7.533 445 HZ2 LYS 64 2HZ LYS 64 -27.134 -0.716 8.421 446 HZ3 LYS 64 3HZ LYS 64 -27.659 -1.868 7.299 447 H SER 65 H SER 65 -21.497 -2.034 8.343 448 HA SER 65 HA SER 65 -23.170 -3.958 9.805 449 HB2 SER 65 1HB SER 65 -20.778 -4.772 9.093 450 HB3 SER 65 2HB SER 65 -20.245 -3.757 10.433 451 HG SER 65 HG SER 65 -21.960 -4.987 11.644 452 H GLY 66 H GLY 66 -23.350 -3.575 12.068 453 HA2 GLY 66 1HA GLY 66 -23.934 -1.125 12.954 454 HA3 GLY 66 2HA GLY 66 -23.216 -2.320 14.023 455 HA PRO 67 HA PRO 67 -20.337 1.412 12.953 456 HB2 PRO 67 1HB PRO 67 -21.182 3.313 14.698 457 HB3 PRO 67 2HB PRO 67 -21.783 3.195 13.040 458 HG2 PRO 67 1HG PRO 67 -23.034 2.227 15.581 459 HG3 PRO 67 2HG PRO 67 -23.788 3.058 14.209 460 HD2 PRO 67 1HD PRO 67 -23.962 0.379 14.563 461 HD3 PRO 67 2HD PRO 67 -23.927 1.129 12.955 462 H SER 68 H SER 68 -18.766 2.395 14.493 463 HA SER 68 HA SER 68 -18.474 0.688 16.875 464 HB2 SER 68 1HB SER 68 -16.445 1.917 15.020 465 HB3 SER 68 2HB SER 68 -15.998 1.384 16.640 466 HG SER 68 HG SER 68 -16.961 -0.690 16.001 467 H SER 69 H SER 69 -17.904 1.595 18.837 468 HA SER 69 HA SER 69 -18.737 4.307 19.234 469 HB2 SER 69 1HB SER 69 -19.301 2.791 20.973 470 HB3 SER 69 2HB SER 69 -17.649 2.183 21.081 471 HG SER 69 HG SER 69 -17.973 3.607 22.763 472 H GLY 70 H GLY 70 -17.479 5.993 18.810 473 HA2 GLY 70 1HA GLY 70 -14.731 5.906 18.328 474 HA3 GLY 70 2HA GLY 70 -15.641 7.362 18.704 Start of MODEL 19 1 H1 GLY 1 H GLY 1 12.842 25.118 12.176 2 HA2 GLY 1 1HA GLY 1 10.558 26.837 12.724 3 HA3 GLY 1 2HA GLY 1 11.566 26.869 11.285 4 H SER 2 H SER 2 11.033 25.617 9.525 5 HA SER 2 HA SER 2 8.306 24.953 9.215 6 HB2 SER 2 1HB SER 2 8.990 24.054 7.016 7 HB3 SER 2 2HB SER 2 9.685 25.646 7.317 8 HG SER 2 HG SER 2 11.633 24.792 7.442 9 H SER 3 H SER 3 7.249 23.002 9.147 10 HA SER 3 HA SER 3 8.759 20.689 10.178 11 HB2 SER 3 1HB SER 3 6.912 21.821 11.631 12 HB3 SER 3 2HB SER 3 5.793 20.995 10.548 13 HG SER 3 HG SER 3 6.259 19.166 11.477 14 H GLY 4 H GLY 4 8.706 18.840 9.045 15 HA2 GLY 4 1HA GLY 4 6.788 17.621 7.625 16 HA3 GLY 4 2HA GLY 4 7.323 18.852 6.490 17 H SER 5 H SER 5 7.958 15.787 7.853 18 HA SER 5 HA SER 5 10.671 15.671 6.793 19 HB2 SER 5 1HB SER 5 10.730 13.418 7.824 20 HB3 SER 5 2HB SER 5 10.286 14.668 8.986 21 HG SER 5 HG SER 5 8.990 12.573 8.778 22 H SER 6 H SER 6 11.332 14.238 5.182 23 HA SER 6 HA SER 6 9.337 13.698 3.176 24 HB2 SER 6 1HB SER 6 12.305 13.096 3.218 25 HB3 SER 6 2HB SER 6 11.252 12.930 1.813 26 HG SER 6 HG SER 6 12.355 14.930 1.813 27 H GLY 7 H GLY 7 8.437 11.788 2.645 28 HA2 GLY 7 1HA GLY 7 9.563 9.257 3.256 29 HA3 GLY 7 2HA GLY 7 8.336 9.672 4.444 30 H TYR 8 H TYR 8 8.887 8.172 1.534 31 HA TYR 8 HA TYR 8 6.163 8.611 0.546 32 HB2 TYR 8 1HB TYR 8 8.697 7.614 -0.688 33 HB3 TYR 8 2HB TYR 8 7.161 7.102 -1.377 34 HD1 TYR 8 1HD TYR 8 9.412 9.937 -0.815 35 HD2 TYR 8 2HD TYR 8 5.711 8.690 -2.505 36 HE1 TYR 8 1HE TYR 8 9.282 12.046 -2.072 37 HE2 TYR 8 2HE TYR 8 5.572 10.796 -3.768 38 HH TYR 8 HH TYR 8 7.994 13.347 -3.360 39 H CYS 9 H CYS 9 8.333 5.785 0.675 40 HA CYS 9 HA CYS 9 6.496 3.784 0.538 41 HB2 CYS 9 1HB CYS 9 8.927 3.410 0.608 42 HB3 CYS 9 2HB CYS 9 8.940 3.811 2.322 43 H ILE 10 H ILE 10 5.665 2.315 2.237 44 HA ILE 10 HA ILE 10 3.941 3.597 3.983 45 HB ILE 10 HB ILE 10 3.862 1.330 5.186 46 HG12 ILE 10 1HG1 ILE 10 5.486 0.465 2.792 47 HG13 ILE 10 2HG1 ILE 10 6.188 0.709 4.388 48 HG21 ILE 10 1HG2 ILE 10 2.127 1.092 3.826 49 HG22 ILE 10 2HG2 ILE 10 2.856 2.219 2.684 50 HG23 ILE 10 3HG2 ILE 10 3.199 0.494 2.560 51 HD11 ILE 10 1HD1 ILE 10 5.753 -1.619 4.072 52 HD12 ILE 10 2HD1 ILE 10 4.621 -0.994 5.272 53 HD13 ILE 10 3HD1 ILE 10 4.080 -1.293 3.621 54 H CYS 11 H CYS 11 7.263 2.677 4.429 55 HA CYS 11 HA CYS 11 7.222 2.990 7.295 56 HB2 CYS 11 1HB CYS 11 9.664 2.688 7.132 57 HB3 CYS 11 2HB CYS 11 8.789 1.422 6.277 58 H ASN 12 H ASN 12 6.675 5.202 5.129 59 HA ASN 12 HA ASN 12 7.072 7.434 4.848 60 HB2 ASN 12 1HB ASN 12 7.186 7.002 7.815 61 HB3 ASN 12 2HB ASN 12 7.473 8.607 7.150 62 HD21 ASN 12 1HD2 ASN 12 5.787 9.816 6.535 63 HD22 ASN 12 2HD2 ASN 12 4.140 9.295 6.562 64 H GLN 13 H GLN 13 9.228 6.227 3.960 65 HA GLN 13 HA GLN 13 11.455 7.808 5.055 66 HB2 GLN 13 1HB GLN 13 11.525 4.952 4.078 67 HB3 GLN 13 2HB GLN 13 12.964 5.918 4.373 68 HG2 GLN 13 1HG GLN 13 10.984 5.683 6.566 69 HG3 GLN 13 2HG GLN 13 11.970 4.273 6.186 70 HE21 GLN 13 1HE2 GLN 13 12.026 7.611 7.220 71 HE22 GLN 13 2HE2 GLN 13 13.607 7.573 7.915 72 H VAL 14 H VAL 14 13.085 8.422 3.529 73 HA VAL 14 HA VAL 14 12.111 9.416 1.122 74 HB VAL 14 HB VAL 14 14.548 9.665 0.480 75 HG11 VAL 14 1HG1 VAL 14 15.007 11.270 2.385 76 HG12 VAL 14 2HG1 VAL 14 13.489 11.504 1.517 77 HG13 VAL 14 3HG1 VAL 14 13.491 10.714 3.093 78 HG21 VAL 14 1HG2 VAL 14 15.861 9.308 2.850 79 HG22 VAL 14 2HG2 VAL 14 14.797 7.903 2.803 80 HG23 VAL 14 3HG2 VAL 14 15.923 8.201 1.479 81 H SER 15 H SER 15 12.635 8.867 -1.071 82 HA SER 15 HA SER 15 12.422 6.038 -1.559 83 HB2 SER 15 1HB SER 15 11.132 7.113 -3.116 84 HB3 SER 15 2HB SER 15 12.192 8.521 -3.178 85 HG SER 15 HG SER 15 12.816 5.983 -4.285 86 H TYR 16 H TYR 16 14.111 4.732 -1.677 87 HA TYR 16 HA TYR 16 16.551 5.675 -3.003 88 HB2 TYR 16 1HB TYR 16 17.949 4.619 -1.280 89 HB3 TYR 16 2HB TYR 16 16.950 5.897 -0.598 90 HD1 TYR 16 1HD TYR 16 17.282 2.223 -0.920 91 HD2 TYR 16 2HD TYR 16 15.405 5.442 1.134 92 HE1 TYR 16 1HE TYR 16 16.417 0.642 0.754 93 HE2 TYR 16 2HE TYR 16 14.536 3.870 2.815 94 HH TYR 16 HH TYR 16 14.208 1.686 3.297 95 H GLY 17 H GLY 17 18.118 3.651 -3.171 96 HA2 GLY 17 1HA GLY 17 18.428 1.743 -4.433 97 HA3 GLY 17 2HA GLY 17 17.335 1.046 -3.246 98 H GLU 18 H GLU 18 16.057 -0.254 -4.422 99 HA GLU 18 HA GLU 18 14.865 0.808 -6.885 100 HB2 GLU 18 1HB GLU 18 15.171 -2.003 -5.834 101 HB3 GLU 18 2HB GLU 18 14.173 -1.611 -7.227 102 HG2 GLU 18 1HG GLU 18 16.404 -0.442 -8.034 103 HG3 GLU 18 2HG GLU 18 17.122 -1.630 -6.947 104 H MET 19 H MET 19 12.911 1.665 -6.708 105 HA MET 19 HA MET 19 11.103 0.641 -4.622 106 HB2 MET 19 1HB MET 19 11.274 3.358 -5.926 107 HB3 MET 19 2HB MET 19 9.933 2.863 -4.903 108 HG2 MET 19 1HG MET 19 11.921 2.294 -3.239 109 HG3 MET 19 2HG MET 19 12.720 3.546 -4.186 110 HE1 MET 19 1HE MET 19 9.283 2.686 -3.016 111 HE2 MET 19 2HE MET 19 9.677 3.119 -1.352 112 HE3 MET 19 3HE MET 19 8.622 4.161 -2.308 113 H VAL 20 H VAL 20 8.987 0.131 -5.131 114 HA VAL 20 HA VAL 20 8.435 -0.154 -8.008 115 HB VAL 20 HB VAL 20 8.519 -2.277 -6.791 116 HG11 VAL 20 1HG1 VAL 20 7.138 -2.814 -4.977 117 HG12 VAL 20 2HG1 VAL 20 7.729 -1.191 -4.614 118 HG13 VAL 20 3HG1 VAL 20 6.096 -1.417 -5.242 119 HG21 VAL 20 1HG2 VAL 20 6.119 -1.281 -8.155 120 HG22 VAL 20 2HG2 VAL 20 7.096 -2.714 -8.477 121 HG23 VAL 20 3HG2 VAL 20 5.874 -2.747 -7.206 122 H GLY 21 H GLY 21 7.181 1.450 -8.721 123 HA2 GLY 21 1HA GLY 21 5.405 2.919 -7.037 124 HA3 GLY 21 2HA GLY 21 5.535 3.060 -8.784 125 H CYS 22 H CYS 22 3.274 2.724 -6.684 126 HA CYS 22 HA CYS 22 1.963 0.291 -7.276 127 HB2 CYS 22 1HB CYS 22 1.488 1.765 -5.301 128 HB3 CYS 22 2HB CYS 22 0.683 2.885 -6.396 129 H ASP 23 H ASP 23 0.856 -0.326 -9.009 130 HA ASP 23 HA ASP 23 0.768 1.014 -11.400 131 HB2 ASP 23 1HB ASP 23 0.274 -1.311 -11.390 132 HB3 ASP 23 2HB ASP 23 -1.077 -1.093 -10.282 133 H ASN 24 H ASN 24 -1.482 1.222 -8.716 134 HA ASN 24 HA ASN 24 -3.430 2.763 -10.148 135 HB2 ASN 24 1HB ASN 24 -3.873 1.297 -8.114 136 HB3 ASN 24 2HB ASN 24 -3.145 2.578 -7.149 137 HD21 ASN 24 1HD2 ASN 24 -5.048 2.971 -6.042 138 HD22 ASN 24 2HD2 ASN 24 -6.397 3.763 -6.776 139 H GLN 25 H GLN 25 -2.685 4.657 -10.944 140 HA GLN 25 HA GLN 25 -0.770 6.325 -9.816 141 HB2 GLN 25 1HB GLN 25 -3.051 6.883 -11.702 142 HB3 GLN 25 2HB GLN 25 -1.914 8.134 -11.220 143 HG2 GLN 25 1HG GLN 25 -1.027 5.543 -12.444 144 HG3 GLN 25 2HG GLN 25 -1.464 6.951 -13.411 145 HE21 GLN 25 1HE2 GLN 25 -0.389 9.037 -12.375 146 HE22 GLN 25 2HE2 GLN 25 1.317 8.891 -12.145 147 H ASP 26 H ASP 26 -4.096 5.897 -9.003 148 HA ASP 26 HA ASP 26 -4.531 8.386 -7.710 149 HB2 ASP 26 1HB ASP 26 -5.887 5.722 -7.240 150 HB3 ASP 26 2HB ASP 26 -6.481 7.289 -6.697 151 H CYS 27 H CYS 27 -2.877 5.504 -6.808 152 HA CYS 27 HA CYS 27 -3.052 5.437 -4.070 153 HB2 CYS 27 1HB CYS 27 -1.704 3.935 -5.682 154 HB3 CYS 27 2HB CYS 27 -0.403 5.100 -5.457 155 HA PRO 28 HA PRO 28 -1.458 9.332 -2.723 156 HB2 PRO 28 1HB PRO 28 -1.133 8.697 -0.104 157 HB3 PRO 28 2HB PRO 28 -2.716 9.007 -0.828 158 HG2 PRO 28 1HG PRO 28 -1.385 6.393 -0.235 159 HG3 PRO 28 2HG PRO 28 -3.072 6.873 0.023 160 HD2 PRO 28 1HD PRO 28 -2.292 5.370 -2.090 161 HD3 PRO 28 2HD PRO 28 -3.642 6.520 -2.182 162 H ILE 29 H ILE 29 0.218 6.317 -2.424 163 HA ILE 29 HA ILE 29 2.727 7.734 -1.822 164 HB ILE 29 HB ILE 29 2.232 4.766 -1.603 165 HG12 ILE 29 1HG1 ILE 29 2.246 6.837 0.603 166 HG13 ILE 29 2HG1 ILE 29 0.803 6.060 -0.037 167 HG21 ILE 29 1HG2 ILE 29 4.283 4.858 -0.197 168 HG22 ILE 29 2HG2 ILE 29 4.554 5.287 -1.885 169 HG23 ILE 29 3HG2 ILE 29 4.469 6.550 -0.658 170 HD11 ILE 29 1HD1 ILE 29 3.053 4.778 1.482 171 HD12 ILE 29 2HD1 ILE 29 1.373 4.967 1.985 172 HD13 ILE 29 3HD1 ILE 29 1.781 3.870 0.665 173 H GLU 30 H GLU 30 1.435 5.064 -3.796 174 HA GLU 30 HA GLU 30 2.170 4.132 -5.748 175 HB2 GLU 30 1HB GLU 30 1.301 6.456 -6.386 176 HB3 GLU 30 2HB GLU 30 2.990 6.930 -6.503 177 HG2 GLU 30 1HG GLU 30 3.116 4.800 -8.054 178 HG3 GLU 30 2HG GLU 30 1.396 5.134 -8.243 179 H TRP 31 H TRP 31 4.133 4.334 -3.583 180 HA TRP 31 HA TRP 31 6.444 3.572 -5.074 181 HB2 TRP 31 1HB TRP 31 6.482 6.191 -3.572 182 HB3 TRP 31 2HB TRP 31 7.948 5.305 -3.984 183 HD1 TRP 31 HD TRP 31 5.401 7.661 -5.430 184 HE1 TRP 31 1HE TRP 31 6.017 8.208 -7.869 185 HE3 TRP 31 3HE TRP 31 9.064 4.168 -6.144 186 HZ2 TRP 31 2HZ TRP 31 7.817 7.280 -9.835 187 HZ3 TRP 31 3HZ TRP 31 10.184 4.063 -8.332 188 HH2 TRP 31 HH TRP 31 9.571 5.587 -10.139 189 H PHE 32 H PHE 32 6.921 1.787 -3.977 190 HA PHE 32 HA PHE 32 7.229 1.991 -1.060 191 HB2 PHE 32 1HB PHE 32 6.011 -0.362 -2.521 192 HB3 PHE 32 2HB PHE 32 6.275 -0.242 -0.784 193 HD1 PHE 32 1HD PHE 32 4.482 1.419 -3.586 194 HD2 PHE 32 2HD PHE 32 4.597 0.574 0.584 195 HE1 PHE 32 1HE PHE 32 2.251 2.425 -3.324 196 HE2 PHE 32 2HE PHE 32 2.367 1.577 0.853 197 HZ PHE 32 HZ PHE 32 1.191 2.503 -1.102 198 H HIS 33 H HIS 33 8.662 0.352 -0.139 199 HA HIS 33 HA HIS 33 10.954 -0.070 -1.856 200 HB2 HIS 33 1HB HIS 33 10.554 -0.726 1.071 201 HB3 HIS 33 2HB HIS 33 12.084 -0.805 0.203 202 HD2 HIS 33 2HD HIS 33 11.468 2.233 -1.283 203 HE1 HIS 33 1HE HIS 33 11.921 3.527 2.732 204 HE2 HIS 33 2HE HIS 33 11.812 4.235 0.317 205 H TYR 34 H TYR 34 11.972 -2.097 -2.190 206 HA TYR 34 HA TYR 34 10.168 -4.211 -2.760 207 HB2 TYR 34 1HB TYR 34 13.160 -3.936 -2.858 208 HB3 TYR 34 2HB TYR 34 12.386 -5.487 -3.162 209 HD1 TYR 34 2HD TYR 34 11.214 -2.100 -4.155 210 HD2 TYR 34 1HD TYR 34 12.779 -5.842 -5.441 211 HE1 TYR 34 2HE TYR 34 10.836 -1.447 -6.496 212 HE2 TYR 34 1HE TYR 34 12.406 -5.199 -7.786 213 HH TYR 34 HH TYR 34 11.065 -3.678 -9.087 214 H GLY 35 H GLY 35 12.335 -3.518 -0.099 215 HA2 GLY 35 1HA GLY 35 12.099 -6.155 1.054 216 HA3 GLY 35 2HA GLY 35 12.887 -4.762 1.781 217 H CYS 36 H CYS 36 10.503 -3.066 1.416 218 HA CYS 36 HA CYS 36 9.221 -3.706 3.892 219 HB2 CYS 36 1HB CYS 36 8.897 -1.532 1.845 220 HB3 CYS 36 2HB CYS 36 7.717 -1.718 3.138 221 H VAL 37 H VAL 37 8.425 -4.055 0.499 222 HA VAL 37 HA VAL 37 5.740 -5.013 1.159 223 HB VAL 37 HB VAL 37 5.269 -4.954 -1.205 224 HG11 VAL 37 1HG1 VAL 37 4.978 -2.852 -0.141 225 HG12 VAL 37 2HG1 VAL 37 6.710 -2.514 -0.188 226 HG13 VAL 37 3HG1 VAL 37 5.773 -2.534 -1.682 227 HG21 VAL 37 1HG2 VAL 37 7.129 -4.010 -2.724 228 HG22 VAL 37 2HG2 VAL 37 8.229 -4.554 -1.457 229 HG23 VAL 37 3HG2 VAL 37 7.188 -5.716 -2.280 230 H GLY 38 H GLY 38 8.862 -6.141 0.137 231 HA2 GLY 38 1HA GLY 38 9.588 -8.371 0.371 232 HA3 GLY 38 2HA GLY 38 7.910 -8.893 0.381 233 H LEU 39 H LEU 39 10.419 -7.548 -1.737 234 HA LEU 39 HA LEU 39 9.424 -9.270 -3.884 235 HB2 LEU 39 1HB LEU 39 9.774 -6.297 -4.001 236 HB3 LEU 39 2HB LEU 39 9.932 -7.283 -5.453 237 HG LEU 39 HG LEU 39 7.465 -7.140 -3.721 238 HD11 LEU 39 1HD1 LEU 39 7.975 -5.023 -4.900 239 HD12 LEU 39 2HD1 LEU 39 6.491 -5.795 -5.459 240 HD13 LEU 39 3HD1 LEU 39 7.962 -5.907 -6.426 241 HD21 LEU 39 1HD2 LEU 39 6.778 -8.932 -4.830 242 HD22 LEU 39 2HD2 LEU 39 8.311 -9.001 -5.699 243 HD23 LEU 39 3HD2 LEU 39 6.968 -8.062 -6.352 244 H THR 40 H THR 40 11.092 -10.552 -4.311 245 HA THR 40 HA THR 40 13.798 -9.855 -3.781 246 HB THR 40 HB THR 40 14.381 -11.981 -4.840 247 HG1 THR 40 1HG THR 40 11.791 -11.718 -5.864 248 HG21 THR 40 1HG2 THR 40 12.404 -11.699 -2.723 249 HG22 THR 40 2HG2 THR 40 13.832 -12.730 -2.803 250 HG23 THR 40 3HG2 THR 40 12.316 -13.266 -3.526 251 H GLU 41 H GLU 41 11.765 -9.771 -6.633 252 HA GLU 41 HA GLU 41 13.757 -8.168 -8.002 253 HB2 GLU 41 1HB GLU 41 13.964 -9.519 -9.934 254 HB3 GLU 41 2HB GLU 41 14.223 -10.595 -8.568 255 HG2 GLU 41 1HG GLU 41 11.512 -10.325 -9.796 256 HG3 GLU 41 2HG GLU 41 12.732 -11.370 -10.521 257 H ALA 42 H ALA 42 12.903 -7.153 -9.958 258 HA ALA 42 HA ALA 42 10.513 -5.881 -9.641 259 HB1 ALA 42 1HB ALA 42 11.103 -4.849 -11.519 260 HB2 ALA 42 2HB ALA 42 12.479 -5.949 -11.602 261 HB3 ALA 42 3HB ALA 42 10.986 -6.340 -12.454 262 HA PRO 43 HA PRO 43 7.483 -9.066 -10.262 263 HB2 PRO 43 1HB PRO 43 5.310 -7.439 -10.205 264 HB3 PRO 43 2HB PRO 43 6.196 -7.911 -8.749 265 HG2 PRO 43 1HG PRO 43 6.371 -5.378 -10.336 266 HG3 PRO 43 2HG PRO 43 6.335 -5.596 -8.576 267 HD2 PRO 43 1HD PRO 43 8.629 -5.144 -9.942 268 HD3 PRO 43 2HD PRO 43 8.573 -6.137 -8.471 269 H LYS 44 H LYS 44 7.784 -9.776 -12.350 270 HA LYS 44 HA LYS 44 7.653 -8.468 -14.723 271 HB2 LYS 44 1HB LYS 44 6.544 -11.209 -14.097 272 HB3 LYS 44 2HB LYS 44 6.821 -10.600 -15.724 273 HG2 LYS 44 1HG LYS 44 9.249 -10.234 -14.924 274 HG3 LYS 44 2HG LYS 44 8.813 -11.347 -13.625 275 HD2 LYS 44 1HD LYS 44 8.328 -13.089 -15.164 276 HD3 LYS 44 2HD LYS 44 8.394 -11.983 -16.539 277 HE2 LYS 44 1HE LYS 44 10.412 -13.321 -16.450 278 HE3 LYS 44 2HE LYS 44 10.792 -11.632 -16.115 279 HZ1 LYS 44 1HZ LYS 44 10.201 -13.142 -13.749 280 HZ2 LYS 44 2HZ LYS 44 11.519 -12.138 -14.086 281 HZ3 LYS 44 3HZ LYS 44 11.534 -13.752 -14.593 282 H GLY 45 H GLY 45 4.829 -10.024 -13.182 283 HA2 GLY 45 1HA GLY 45 2.982 -8.847 -15.020 284 HA3 GLY 45 2HA GLY 45 2.574 -9.710 -13.544 285 H LYS 46 H LYS 46 0.920 -8.134 -13.189 286 HA LYS 46 HA LYS 46 1.722 -5.395 -12.681 287 HB2 LYS 46 1HB LYS 46 -0.919 -6.843 -12.552 288 HB3 LYS 46 2HB LYS 46 -0.735 -5.177 -12.019 289 HG2 LYS 46 1HG LYS 46 0.164 -5.963 -14.753 290 HG3 LYS 46 2HG LYS 46 -1.550 -5.693 -14.430 291 HD2 LYS 46 1HD LYS 46 -1.036 -3.557 -14.946 292 HD3 LYS 46 2HD LYS 46 -0.490 -3.501 -13.268 293 HE2 LYS 46 1HE LYS 46 1.393 -2.705 -14.252 294 HE3 LYS 46 2HE LYS 46 1.742 -4.427 -14.394 295 HZ1 LYS 46 1HZ LYS 46 0.198 -3.560 -16.598 296 HZ2 LYS 46 2HZ LYS 46 1.741 -4.252 -16.588 297 HZ3 LYS 46 3HZ LYS 46 1.565 -2.576 -16.442 298 H TRP 47 H TRP 47 1.949 -4.438 -10.722 299 HA TRP 47 HA TRP 47 1.568 -6.143 -8.348 300 HB2 TRP 47 1HB TRP 47 3.951 -5.864 -8.823 301 HB3 TRP 47 2HB TRP 47 3.757 -4.113 -8.845 302 HD1 TRP 47 HD TRP 47 3.949 -7.075 -6.440 303 HE1 TRP 47 1HE TRP 47 4.314 -6.179 -4.054 304 HE3 TRP 47 3HE TRP 47 3.330 -2.082 -7.345 305 HZ2 TRP 47 2HZ TRP 47 4.336 -3.686 -2.732 306 HZ3 TRP 47 3HZ TRP 47 3.539 -0.508 -5.465 307 HH2 TRP 47 HH TRP 47 4.031 -1.295 -3.207 308 H TYR 48 H TYR 48 0.577 -5.257 -6.597 309 HA TYR 48 HA TYR 48 -0.119 -2.403 -6.721 310 HB2 TYR 48 1HB TYR 48 -1.977 -4.711 -6.132 311 HB3 TYR 48 2HB TYR 48 -2.375 -3.032 -5.787 312 HD1 TYR 48 1HD TYR 48 -2.496 -1.397 -7.710 313 HD2 TYR 48 2HD TYR 48 -2.261 -5.605 -8.294 314 HE1 TYR 48 1HE TYR 48 -3.332 -1.119 -10.006 315 HE2 TYR 48 2HE TYR 48 -3.095 -5.339 -10.592 316 HH TYR 48 HH TYR 48 -4.233 -3.840 -11.975 317 H CYS 49 H CYS 49 0.558 -1.383 -4.968 318 HA CYS 49 HA CYS 49 1.844 -2.412 -2.812 319 HB2 CYS 49 1HB CYS 49 1.595 -0.333 -1.746 320 HB3 CYS 49 2HB CYS 49 1.463 0.047 -3.460 321 HA PRO 50 HA PRO 50 -0.988 -4.486 -0.179 322 HB2 PRO 50 1HB PRO 50 0.025 -3.901 2.270 323 HB3 PRO 50 2HB PRO 50 0.811 -5.017 1.147 324 HG2 PRO 50 1HG PRO 50 1.423 -2.138 1.696 325 HG3 PRO 50 2HG PRO 50 2.540 -3.499 1.487 326 HD2 PRO 50 1HD PRO 50 2.023 -1.723 -0.490 327 HD3 PRO 50 2HD PRO 50 2.396 -3.428 -0.812 328 H GLN 51 H GLN 51 -0.685 -1.095 -0.119 329 HA GLN 51 HA GLN 51 -2.663 -0.630 1.930 330 HB2 GLN 51 1HB GLN 51 -0.991 1.063 0.142 331 HB3 GLN 51 2HB GLN 51 -2.477 1.764 0.770 332 HG2 GLN 51 1HG GLN 51 -1.527 0.834 3.052 333 HG3 GLN 51 2HG GLN 51 0.004 0.980 2.190 334 HE21 GLN 51 1HE2 GLN 51 -0.201 3.194 0.757 335 HE22 GLN 51 2HE2 GLN 51 -0.481 4.576 1.755 336 H CYS 52 H CYS 52 -2.570 -0.959 -1.531 337 HA CYS 52 HA CYS 52 -5.283 0.042 -1.849 338 HB2 CYS 52 1HB CYS 52 -3.165 -0.919 -3.758 339 HB3 CYS 52 2HB CYS 52 -4.830 -0.695 -4.286 340 H THR 53 H THR 53 -3.544 -2.989 -2.559 341 HA THR 53 HA THR 53 -5.617 -4.590 -3.329 342 HB THR 53 HB THR 53 -3.405 -5.494 -1.478 343 HG1 THR 53 1HG THR 53 -2.381 -5.989 -3.575 344 HG21 THR 53 1HG2 THR 53 -3.684 -7.649 -2.629 345 HG22 THR 53 2HG2 THR 53 -5.032 -6.976 -3.547 346 HG23 THR 53 3HG2 THR 53 -5.159 -7.157 -1.798 347 H ALA 54 H ALA 54 -4.887 -3.459 -0.108 348 HA ALA 54 HA ALA 54 -6.623 -5.269 1.259 349 HB1 ALA 54 1HB ALA 54 -6.390 -3.304 3.035 350 HB2 ALA 54 2HB ALA 54 -5.094 -4.462 2.735 351 HB3 ALA 54 3HB ALA 54 -5.043 -2.868 1.983 352 H ALA 55 H ALA 55 -6.932 -1.969 0.030 353 HA ALA 55 HA ALA 55 -9.563 -1.576 1.087 354 HB1 ALA 55 1HB ALA 55 -9.458 0.536 0.209 355 HB2 ALA 55 2HB ALA 55 -7.739 0.163 0.341 356 HB3 ALA 55 3HB ALA 55 -8.555 0.019 -1.216 357 H MET 56 H MET 56 -8.242 -2.428 -2.090 358 HA MET 56 HA MET 56 -10.681 -2.424 -3.491 359 HB2 MET 56 1HB MET 56 -8.161 -4.013 -4.007 360 HB3 MET 56 2HB MET 56 -9.488 -3.835 -5.148 361 HG2 MET 56 1HG MET 56 -9.109 -1.389 -5.134 362 HG3 MET 56 2HG MET 56 -7.706 -1.651 -4.100 363 HE1 MET 56 1HE MET 56 -6.487 -4.346 -5.288 364 HE2 MET 56 2HE MET 56 -5.317 -3.678 -6.425 365 HE3 MET 56 3HE MET 56 -5.535 -2.930 -4.842 366 H LYS 57 H LYS 57 -9.003 -4.946 -1.678 367 HA LYS 57 HA LYS 57 -10.574 -7.133 -2.395 368 HB2 LYS 57 1HB LYS 57 -8.847 -6.442 -0.077 369 HB3 LYS 57 2HB LYS 57 -9.960 -7.789 0.129 370 HG2 LYS 57 1HG LYS 57 -8.975 -8.651 -2.093 371 HG3 LYS 57 2HG LYS 57 -7.664 -7.514 -1.767 372 HD2 LYS 57 1HD LYS 57 -8.547 -9.428 0.355 373 HD3 LYS 57 2HD LYS 57 -7.479 -9.977 -0.939 374 HE2 LYS 57 1HE LYS 57 -5.766 -8.530 -0.298 375 HE3 LYS 57 2HE LYS 57 -6.855 -7.501 0.630 376 HZ1 LYS 57 1HZ LYS 57 -6.857 -8.935 2.395 377 HZ2 LYS 57 2HZ LYS 57 -5.281 -9.167 1.827 378 HZ3 LYS 57 3HZ LYS 57 -6.487 -10.294 1.457 379 H ARG 58 H ARG 58 -10.963 -4.917 0.367 380 HA ARG 58 HA ARG 58 -13.264 -6.056 1.444 381 HB2 ARG 58 1HB ARG 58 -12.107 -3.290 1.500 382 HB3 ARG 58 2HB ARG 58 -13.684 -3.596 2.217 383 HG2 ARG 58 1HG ARG 58 -12.472 -5.498 3.483 384 HG3 ARG 58 2HG ARG 58 -11.004 -4.623 3.042 385 HD2 ARG 58 1HD ARG 58 -11.454 -3.637 5.052 386 HD3 ARG 58 2HD ARG 58 -12.365 -2.569 3.985 387 HE ARG 58 HE ARG 58 -14.215 -4.384 4.642 388 HH11 ARG 58 2HH1 ARG 58 -11.943 -2.600 6.585 389 HH12 ARG 58 1HH1 ARG 58 -12.963 -2.572 7.985 390 HH21 ARG 58 2HH2 ARG 58 -15.567 -4.353 6.478 391 HH22 ARG 58 1HH2 ARG 58 -15.024 -3.570 7.923 392 H ARG 59 H ARG 59 -12.937 -3.499 -0.997 393 HA ARG 59 HA ARG 59 -15.661 -2.943 -1.320 394 HB2 ARG 59 1HB ARG 59 -13.205 -2.528 -2.940 395 HB3 ARG 59 2HB ARG 59 -14.746 -2.397 -3.777 396 HG2 ARG 59 1HG ARG 59 -15.450 -0.743 -2.035 397 HG3 ARG 59 2HG ARG 59 -13.793 -0.779 -1.430 398 HD2 ARG 59 1HD ARG 59 -13.981 1.090 -2.895 399 HD3 ARG 59 2HD ARG 59 -13.032 -0.142 -3.726 400 HE ARG 59 HE ARG 59 -15.872 -0.141 -4.302 401 HH11 ARG 59 2HH1 ARG 59 -12.695 0.936 -5.233 402 HH12 ARG 59 1HH1 ARG 59 -13.137 1.235 -6.881 403 HH21 ARG 59 2HH2 ARG 59 -16.466 0.248 -6.469 404 HH22 ARG 59 1HH2 ARG 59 -15.283 0.844 -7.583 405 H GLY 60 H GLY 60 -13.645 -5.488 -2.632 406 HA2 GLY 60 1HA GLY 60 -15.618 -6.356 -4.551 407 HA3 GLY 60 2HA GLY 60 -14.115 -7.174 -4.154 408 H SER 61 H SER 61 -16.664 -6.229 -1.902 409 HA SER 61 HA SER 61 -17.153 -9.090 -1.390 410 HB2 SER 61 1HB SER 61 -15.950 -7.586 0.402 411 HB3 SER 61 2HB SER 61 -17.587 -7.022 0.734 412 HG SER 61 HG SER 61 -18.157 -9.008 1.395 413 H ARG 62 H ARG 62 -19.295 -9.619 -0.568 414 HA ARG 62 HA ARG 62 -21.354 -8.614 -2.137 415 HB2 ARG 62 1HB ARG 62 -21.168 -10.790 -0.678 416 HB3 ARG 62 2HB ARG 62 -21.953 -9.799 0.545 417 HG2 ARG 62 1HG ARG 62 -23.922 -9.673 -0.619 418 HG3 ARG 62 2HG ARG 62 -23.140 -9.922 -2.181 419 HD2 ARG 62 1HD ARG 62 -23.240 -12.078 -0.094 420 HD3 ARG 62 2HD ARG 62 -24.559 -11.832 -1.239 421 HE ARG 62 HE ARG 62 -23.158 -12.539 -2.977 422 HH11 ARG 62 2HH1 ARG 62 -21.532 -12.542 0.101 423 HH12 ARG 62 1HH1 ARG 62 -20.219 -13.531 -0.446 424 HH21 ARG 62 2HH2 ARG 62 -21.435 -13.841 -3.710 425 HH22 ARG 62 1HH2 ARG 62 -20.164 -14.269 -2.615 426 H HIS 63 H HIS 63 -23.283 -7.437 -1.524 427 HA HIS 63 HA HIS 63 -22.821 -5.497 0.644 428 HB2 HIS 63 1HB HIS 63 -22.608 -4.742 -1.883 429 HB3 HIS 63 2HB HIS 63 -24.365 -4.694 -1.784 430 HD1 HIS 63 1HD HIS 63 -25.269 -3.168 0.333 431 HD2 HIS 63 2HD HIS 63 -21.421 -2.455 -1.061 432 HE1 HIS 63 1HE HIS 63 -24.661 -0.880 1.179 433 HE2 HIS 63 2HE HIS 63 -22.362 -0.435 0.251 434 H LYS 64 H LYS 64 -24.403 -5.366 2.094 435 HA LYS 64 HA LYS 64 -26.461 -5.482 3.074 436 HB2 LYS 64 1HB LYS 64 -27.124 -4.607 0.669 437 HB3 LYS 64 2HB LYS 64 -27.797 -6.224 0.506 438 HG2 LYS 64 1HG LYS 64 -28.950 -5.690 2.770 439 HG3 LYS 64 2HG LYS 64 -28.606 -4.013 2.341 440 HD2 LYS 64 1HD LYS 64 -30.715 -4.314 1.444 441 HD3 LYS 64 2HD LYS 64 -29.678 -4.660 0.058 442 HE2 LYS 64 1HE LYS 64 -29.969 -6.992 0.304 443 HE3 LYS 64 2HE LYS 64 -30.676 -6.811 1.908 444 HZ1 LYS 64 1HZ LYS 64 -31.892 -6.133 -0.705 445 HZ2 LYS 64 2HZ LYS 64 -32.521 -5.564 0.758 446 HZ3 LYS 64 3HZ LYS 64 -32.455 -7.227 0.457 447 H SER 65 H SER 65 -24.762 -7.708 2.999 448 HA SER 65 HA SER 65 -26.050 -10.094 2.223 449 HB2 SER 65 1HB SER 65 -24.395 -11.222 3.653 450 HB3 SER 65 2HB SER 65 -23.634 -9.977 2.663 451 HG SER 65 HG SER 65 -24.366 -9.764 5.397 452 H GLY 66 H GLY 66 -28.186 -10.051 2.943 453 HA2 GLY 66 1HA GLY 66 -28.631 -11.165 5.519 454 HA3 GLY 66 2HA GLY 66 -29.100 -9.471 5.497 455 HA PRO 67 HA PRO 67 -32.867 -11.735 4.259 456 HB2 PRO 67 1HB PRO 67 -34.565 -9.919 5.350 457 HB3 PRO 67 2HB PRO 67 -33.810 -11.213 6.289 458 HG2 PRO 67 1HG PRO 67 -33.025 -8.333 6.060 459 HG3 PRO 67 2HG PRO 67 -33.095 -9.362 7.502 460 HD2 PRO 67 1HD PRO 67 -30.776 -8.807 6.221 461 HD3 PRO 67 2HD PRO 67 -31.062 -10.350 7.051 462 H SER 68 H SER 68 -32.459 -11.266 2.045 463 HA SER 68 HA SER 68 -33.645 -8.732 1.116 464 HB2 SER 68 1HB SER 68 -32.192 -8.970 -0.900 465 HB3 SER 68 2HB SER 68 -31.277 -8.767 0.594 466 HG SER 68 HG SER 68 -31.872 -11.327 -0.438 467 H SER 69 H SER 69 -35.725 -9.484 0.848 468 HA SER 69 HA SER 69 -36.215 -11.891 -0.693 469 HB2 SER 69 1HB SER 69 -37.585 -10.889 1.346 470 HB3 SER 69 2HB SER 69 -38.413 -10.011 0.060 471 HG SER 69 HG SER 69 -39.461 -11.966 0.430 472 H GLY 70 H GLY 70 -36.912 -8.412 -1.005 473 HA2 GLY 70 1HA GLY 70 -38.191 -8.395 -3.444 474 HA3 GLY 70 2HA GLY 70 -37.149 -7.099 -2.877 Start of MODEL 20 1 H1 GLY 1 H GLY 1 12.190 28.945 6.108 2 HA2 GLY 1 1HA GLY 1 14.338 27.493 6.379 3 HA3 GLY 1 2HA GLY 1 13.735 27.343 8.023 4 H SER 2 H SER 2 14.161 25.184 6.229 5 HA SER 2 HA SER 2 11.388 24.268 5.830 6 HB2 SER 2 1HB SER 2 12.638 24.579 3.697 7 HB3 SER 2 2HB SER 2 13.822 23.397 4.254 8 HG SER 2 HG SER 2 11.137 23.018 3.511 9 H SER 3 H SER 3 11.175 23.283 7.821 10 HA SER 3 HA SER 3 13.046 21.085 8.402 11 HB2 SER 3 1HB SER 3 11.301 22.754 10.211 12 HB3 SER 3 2HB SER 3 12.039 21.244 10.745 13 HG SER 3 HG SER 3 14.073 22.150 10.277 14 H GLY 4 H GLY 4 12.177 19.085 9.192 15 HA2 GLY 4 1HA GLY 4 10.098 17.830 9.718 16 HA3 GLY 4 2HA GLY 4 9.387 18.631 8.325 17 H SER 5 H SER 5 10.811 15.833 9.399 18 HA SER 5 HA SER 5 12.320 15.023 7.155 19 HB2 SER 5 1HB SER 5 10.848 13.309 9.171 20 HB3 SER 5 2HB SER 5 12.114 12.755 8.076 21 HG SER 5 HG SER 5 13.563 14.133 9.138 22 H SER 6 H SER 6 11.739 13.265 5.659 23 HA SER 6 HA SER 6 9.016 13.667 4.654 24 HB2 SER 6 1HB SER 6 11.123 14.010 3.209 25 HB3 SER 6 2HB SER 6 11.230 12.250 3.181 26 HG SER 6 HG SER 6 10.047 13.116 1.399 27 H GLY 7 H GLY 7 8.164 11.641 3.422 28 HA2 GLY 7 1HA GLY 7 8.865 9.061 4.348 29 HA3 GLY 7 2HA GLY 7 7.527 9.684 5.302 30 H TYR 8 H TYR 8 8.439 8.140 2.430 31 HA TYR 8 HA TYR 8 5.819 8.627 1.195 32 HB2 TYR 8 1HB TYR 8 8.482 7.773 0.127 33 HB3 TYR 8 2HB TYR 8 7.021 7.322 -0.745 34 HD1 TYR 8 1HD TYR 8 8.940 10.223 0.541 35 HD2 TYR 8 2HD TYR 8 5.904 8.877 -2.120 36 HE1 TYR 8 1HE TYR 8 8.903 12.438 -0.528 37 HE2 TYR 8 2HE TYR 8 5.860 11.088 -3.197 38 HH TYR 8 HH TYR 8 6.574 13.207 -3.081 39 H CYS 9 H CYS 9 8.042 5.846 1.195 40 HA CYS 9 HA CYS 9 6.270 3.833 0.787 41 HB2 CYS 9 1HB CYS 9 8.711 3.518 0.975 42 HB3 CYS 9 2HB CYS 9 8.596 3.730 2.719 43 H ILE 10 H ILE 10 5.377 2.199 2.293 44 HA ILE 10 HA ILE 10 3.532 3.289 4.050 45 HB ILE 10 HB ILE 10 3.393 0.924 5.010 46 HG12 ILE 10 1HG1 ILE 10 5.153 0.210 2.674 47 HG13 ILE 10 2HG1 ILE 10 5.825 0.465 4.281 48 HG21 ILE 10 1HG2 ILE 10 1.864 1.661 3.321 49 HG22 ILE 10 2HG2 ILE 10 3.072 1.432 2.058 50 HG23 ILE 10 3HG2 ILE 10 2.404 0.035 2.902 51 HD11 ILE 10 1HD1 ILE 10 3.649 -1.517 3.677 52 HD12 ILE 10 2HD1 ILE 10 5.369 -1.910 3.701 53 HD13 ILE 10 3HD1 ILE 10 4.571 -1.350 5.170 54 H CYS 11 H CYS 11 6.856 2.530 4.558 55 HA CYS 11 HA CYS 11 6.644 2.511 7.449 56 HB2 CYS 11 1HB CYS 11 9.098 2.252 7.396 57 HB3 CYS 11 2HB CYS 11 8.289 1.056 6.390 58 H ASN 12 H ASN 12 6.165 4.901 5.478 59 HA ASN 12 HA ASN 12 6.520 7.156 5.429 60 HB2 ASN 12 1HB ASN 12 6.780 6.591 8.388 61 HB3 ASN 12 2HB ASN 12 6.654 8.211 7.709 62 HD21 ASN 12 1HD2 ASN 12 5.012 5.071 7.593 63 HD22 ASN 12 2HD2 ASN 12 3.409 5.717 7.584 64 H GLN 13 H GLN 13 8.737 5.983 4.537 65 HA GLN 13 HA GLN 13 10.905 7.516 5.810 66 HB2 GLN 13 1HB GLN 13 11.030 4.757 4.590 67 HB3 GLN 13 2HB GLN 13 12.454 5.708 4.992 68 HG2 GLN 13 1HG GLN 13 10.436 5.266 7.119 69 HG3 GLN 13 2HG GLN 13 11.453 3.908 6.642 70 HE21 GLN 13 1HE2 GLN 13 11.625 7.308 7.603 71 HE22 GLN 13 2HE2 GLN 13 13.119 7.172 8.459 72 H VAL 14 H VAL 14 12.657 8.132 4.345 73 HA VAL 14 HA VAL 14 11.757 9.447 2.067 74 HB VAL 14 HB VAL 14 14.189 9.615 1.436 75 HG11 VAL 14 1HG1 VAL 14 14.733 11.112 3.219 76 HG12 VAL 14 2HG1 VAL 14 12.993 11.211 2.942 77 HG13 VAL 14 3HG1 VAL 14 13.619 10.297 4.315 78 HG21 VAL 14 1HG2 VAL 14 14.346 7.521 3.465 79 HG22 VAL 14 2HG2 VAL 14 15.482 7.946 2.185 80 HG23 VAL 14 3HG2 VAL 14 15.501 8.831 3.710 81 H SER 15 H SER 15 12.236 9.100 -0.177 82 HA SER 15 HA SER 15 11.831 6.353 -0.956 83 HB2 SER 15 1HB SER 15 11.561 7.244 -3.214 84 HB3 SER 15 2HB SER 15 10.624 8.206 -2.072 85 HG SER 15 HG SER 15 12.532 9.634 -2.046 86 H TYR 16 H TYR 16 13.722 5.253 -0.519 87 HA TYR 16 HA TYR 16 16.008 5.967 -2.231 88 HB2 TYR 16 1HB TYR 16 17.556 5.317 -0.508 89 HB3 TYR 16 2HB TYR 16 16.438 6.491 0.178 90 HD1 TYR 16 2HD TYR 16 14.707 5.767 1.777 91 HD2 TYR 16 1HD TYR 16 17.625 3.054 0.284 92 HE1 TYR 16 2HE TYR 16 14.169 4.198 3.593 93 HE2 TYR 16 1HE TYR 16 17.094 1.477 2.096 94 HH TYR 16 HH TYR 16 15.152 2.351 4.783 95 H GLY 17 H GLY 17 17.582 3.988 -2.317 96 HA2 GLY 17 1HA GLY 17 17.890 1.892 -3.207 97 HA3 GLY 17 2HA GLY 17 16.763 1.372 -1.963 98 H GLU 18 H GLU 18 16.493 -0.191 -3.920 99 HA GLU 18 HA GLU 18 15.065 0.633 -6.195 100 HB2 GLU 18 1HB GLU 18 15.586 -1.962 -4.838 101 HB3 GLU 18 2HB GLU 18 14.262 -1.909 -5.993 102 HG2 GLU 18 1HG GLU 18 16.878 -0.778 -6.818 103 HG3 GLU 18 2HG GLU 18 16.721 -2.531 -6.712 104 H MET 19 H MET 19 13.133 1.557 -6.237 105 HA MET 19 HA MET 19 11.112 0.678 -4.280 106 HB2 MET 19 1HB MET 19 11.465 3.378 -5.591 107 HB3 MET 19 2HB MET 19 10.084 2.933 -4.598 108 HG2 MET 19 1HG MET 19 11.996 2.334 -2.868 109 HG3 MET 19 2HG MET 19 12.876 3.532 -3.814 110 HE1 MET 19 1HE MET 19 9.128 3.143 -2.856 111 HE2 MET 19 2HE MET 19 9.891 2.929 -1.280 112 HE3 MET 19 3HE MET 19 8.917 4.364 -1.601 113 H VAL 20 H VAL 20 9.074 0.175 -4.992 114 HA VAL 20 HA VAL 20 8.756 -0.014 -7.912 115 HB VAL 20 HB VAL 20 8.727 -2.177 -6.774 116 HG11 VAL 20 1HG1 VAL 20 7.740 -2.496 -4.810 117 HG12 VAL 20 2HG1 VAL 20 7.293 -0.789 -4.803 118 HG13 VAL 20 3HG1 VAL 20 6.182 -1.990 -5.461 119 HG21 VAL 20 1HG2 VAL 20 7.126 -2.987 -8.130 120 HG22 VAL 20 2HG2 VAL 20 5.875 -1.953 -7.440 121 HG23 VAL 20 3HG2 VAL 20 6.974 -1.312 -8.661 122 H GLY 21 H GLY 21 7.627 1.695 -8.618 123 HA2 GLY 21 1HA GLY 21 5.758 3.150 -7.078 124 HA3 GLY 21 2HA GLY 21 5.952 3.252 -8.822 125 H CYS 22 H CYS 22 3.763 2.643 -6.500 126 HA CYS 22 HA CYS 22 2.413 0.333 -7.211 127 HB2 CYS 22 1HB CYS 22 1.865 1.720 -5.239 128 HB3 CYS 22 2HB CYS 22 1.188 2.947 -6.305 129 H ASP 23 H ASP 23 1.532 -0.296 -9.055 130 HA ASP 23 HA ASP 23 1.408 1.037 -11.411 131 HB2 ASP 23 1HB ASP 23 0.728 -1.429 -10.734 132 HB3 ASP 23 2HB ASP 23 -0.899 -0.753 -10.778 133 H ASN 24 H ASN 24 -0.938 1.198 -8.799 134 HA ASN 24 HA ASN 24 -2.808 2.787 -10.304 135 HB2 ASN 24 1HB ASN 24 -3.368 1.203 -8.371 136 HB3 ASN 24 2HB ASN 24 -2.764 2.469 -7.306 137 HD21 ASN 24 1HD2 ASN 24 -4.610 3.077 -6.339 138 HD22 ASN 24 2HD2 ASN 24 -5.976 3.738 -7.166 139 H GLN 25 H GLN 25 -2.071 4.739 -10.921 140 HA GLN 25 HA GLN 25 -0.231 6.338 -9.570 141 HB2 GLN 25 1HB GLN 25 -2.283 6.844 -11.681 142 HB3 GLN 25 2HB GLN 25 -1.487 8.220 -10.929 143 HG2 GLN 25 1HG GLN 25 0.604 7.616 -11.745 144 HG3 GLN 25 2HG GLN 25 0.103 5.957 -12.069 145 HE21 GLN 25 1HE2 GLN 25 0.880 6.132 -14.192 146 HE22 GLN 25 2HE2 GLN 25 0.008 6.999 -15.405 147 H ASP 26 H ASP 26 -3.657 5.955 -9.125 148 HA ASP 26 HA ASP 26 -4.211 8.325 -7.722 149 HB2 ASP 26 1HB ASP 26 -5.566 5.707 -7.121 150 HB3 ASP 26 2HB ASP 26 -6.251 7.330 -7.105 151 H CYS 27 H CYS 27 -2.374 5.597 -6.850 152 HA CYS 27 HA CYS 27 -2.752 5.377 -4.116 153 HB2 CYS 27 1HB CYS 27 -1.209 4.045 -5.750 154 HB3 CYS 27 2HB CYS 27 0.007 5.231 -5.286 155 HA PRO 28 HA PRO 28 -1.436 9.292 -2.546 156 HB2 PRO 28 1HB PRO 28 -1.214 8.574 0.063 157 HB3 PRO 28 2HB PRO 28 -2.771 8.829 -0.733 158 HG2 PRO 28 1HG PRO 28 -1.333 6.266 -0.163 159 HG3 PRO 28 2HG PRO 28 -3.055 6.648 0.022 160 HD2 PRO 28 1HD PRO 28 -2.088 5.270 -2.099 161 HD3 PRO 28 2HD PRO 28 -3.491 6.351 -2.222 162 H ILE 29 H ILE 29 0.409 6.410 -2.473 163 HA ILE 29 HA ILE 29 2.792 7.901 -1.586 164 HB ILE 29 HB ILE 29 2.485 4.901 -1.616 165 HG12 ILE 29 1HG1 ILE 29 2.301 6.708 0.797 166 HG13 ILE 29 2HG1 ILE 29 0.888 6.093 -0.053 167 HG21 ILE 29 1HG2 ILE 29 4.513 6.735 -0.348 168 HG22 ILE 29 2HG2 ILE 29 4.441 4.990 -0.111 169 HG23 ILE 29 3HG2 ILE 29 4.778 5.649 -1.712 170 HD11 ILE 29 1HD1 ILE 29 1.487 3.833 0.488 171 HD12 ILE 29 2HD1 ILE 29 3.004 4.371 1.210 172 HD13 ILE 29 3HD1 ILE 29 1.468 4.801 1.962 173 H GLU 30 H GLU 30 1.732 5.342 -3.825 174 HA GLU 30 HA GLU 30 2.495 4.693 -5.869 175 HB2 GLU 30 1HB GLU 30 3.688 7.419 -6.245 176 HB3 GLU 30 2HB GLU 30 2.915 6.378 -7.431 177 HG2 GLU 30 1HG GLU 30 0.750 6.773 -6.310 178 HG3 GLU 30 2HG GLU 30 1.556 7.898 -5.219 179 H TRP 31 H TRP 31 4.288 4.567 -3.486 180 HA TRP 31 HA TRP 31 6.633 3.685 -4.864 181 HB2 TRP 31 1HB TRP 31 6.823 6.127 -3.091 182 HB3 TRP 31 2HB TRP 31 8.211 5.172 -3.604 183 HD1 TRP 31 HD TRP 31 5.909 7.911 -4.753 184 HE1 TRP 31 1HE TRP 31 6.608 8.699 -7.102 185 HE3 TRP 31 3HE TRP 31 9.251 4.213 -5.887 186 HZ2 TRP 31 2HZ TRP 31 8.346 7.862 -9.163 187 HZ3 TRP 31 3HZ TRP 31 10.389 4.280 -8.068 188 HH2 TRP 31 HH TRP 31 9.944 6.067 -9.671 189 H PHE 32 H PHE 32 7.308 1.932 -3.829 190 HA PHE 32 HA PHE 32 7.237 1.840 -0.914 191 HB2 PHE 32 1HB PHE 32 6.005 -0.350 -2.597 192 HB3 PHE 32 2HB PHE 32 6.082 -0.287 -0.840 193 HD1 PHE 32 1HD PHE 32 4.819 1.745 -3.701 194 HD2 PHE 32 2HD PHE 32 4.216 0.412 0.296 195 HE1 PHE 32 1HE PHE 32 2.641 2.888 -3.652 196 HE2 PHE 32 2HE PHE 32 2.037 1.553 0.351 197 HZ PHE 32 HZ PHE 32 1.246 2.792 -1.624 198 H HIS 33 H HIS 33 8.820 0.584 -0.014 199 HA HIS 33 HA HIS 33 11.050 -0.075 -1.644 200 HB2 HIS 33 1HB HIS 33 10.531 -0.869 1.229 201 HB3 HIS 33 2HB HIS 33 12.092 -0.854 0.413 202 HD2 HIS 33 2HD HIS 33 11.722 2.218 -0.882 203 HE1 HIS 33 1HE HIS 33 11.529 3.326 3.208 204 HE2 HIS 33 2HE HIS 33 11.815 4.143 0.843 205 H TYR 34 H TYR 34 11.965 -2.105 -2.084 206 HA TYR 34 HA TYR 34 10.114 -4.132 -2.762 207 HB2 TYR 34 1HB TYR 34 13.113 -3.961 -2.759 208 HB3 TYR 34 2HB TYR 34 12.303 -5.480 -3.125 209 HD1 TYR 34 2HD TYR 34 11.041 -2.139 -4.072 210 HD2 TYR 34 1HD TYR 34 12.977 -5.689 -5.396 211 HE1 TYR 34 2HE TYR 34 10.753 -1.419 -6.406 212 HE2 TYR 34 1HE TYR 34 12.695 -4.978 -7.733 213 HH TYR 34 HH TYR 34 10.968 -3.370 -8.973 214 H GLY 35 H GLY 35 12.225 -3.629 -0.013 215 HA2 GLY 35 1HA GLY 35 11.855 -6.290 1.037 216 HA3 GLY 35 2HA GLY 35 12.653 -4.949 1.845 217 H CYS 36 H CYS 36 10.275 -3.207 1.376 218 HA CYS 36 HA CYS 36 8.907 -3.857 3.808 219 HB2 CYS 36 1HB CYS 36 8.773 -1.637 1.809 220 HB3 CYS 36 2HB CYS 36 7.436 -1.845 2.935 221 H VAL 37 H VAL 37 8.185 -4.064 0.375 222 HA VAL 37 HA VAL 37 5.497 -5.069 0.948 223 HB VAL 37 HB VAL 37 5.035 -4.861 -1.395 224 HG11 VAL 37 1HG1 VAL 37 6.500 -2.527 -0.202 225 HG12 VAL 37 2HG1 VAL 37 5.691 -2.422 -1.766 226 HG13 VAL 37 3HG1 VAL 37 4.761 -2.796 -0.315 227 HG21 VAL 37 1HG2 VAL 37 7.928 -4.114 -1.802 228 HG22 VAL 37 2HG2 VAL 37 7.237 -5.691 -2.184 229 HG23 VAL 37 3HG2 VAL 37 6.684 -4.255 -3.044 230 H GLY 38 H GLY 38 8.638 -6.126 -0.089 231 HA2 GLY 38 1HA GLY 38 9.370 -8.365 0.041 232 HA3 GLY 38 2HA GLY 38 7.694 -8.892 -0.013 233 H LEU 39 H LEU 39 10.239 -7.422 -2.000 234 HA LEU 39 HA LEU 39 9.276 -9.009 -4.267 235 HB2 LEU 39 1HB LEU 39 9.660 -6.044 -4.178 236 HB3 LEU 39 2HB LEU 39 9.892 -6.925 -5.687 237 HG LEU 39 HG LEU 39 7.336 -6.964 -4.087 238 HD11 LEU 39 1HD1 LEU 39 6.502 -5.494 -5.953 239 HD12 LEU 39 2HD1 LEU 39 8.188 -5.234 -6.395 240 HD13 LEU 39 3HD1 LEU 39 7.604 -4.726 -4.810 241 HD21 LEU 39 1HD2 LEU 39 6.414 -7.800 -6.244 242 HD22 LEU 39 2HD2 LEU 39 7.556 -8.902 -5.477 243 HD23 LEU 39 3HD2 LEU 39 8.065 -7.920 -6.851 244 H THR 40 H THR 40 10.922 -10.287 -4.772 245 HA THR 40 HA THR 40 13.634 -9.660 -4.137 246 HB THR 40 HB THR 40 14.203 -11.760 -5.255 247 HG1 THR 40 1HG THR 40 12.878 -12.665 -6.654 248 HG21 THR 40 1HG2 THR 40 12.116 -13.065 -4.005 249 HG22 THR 40 2HG2 THR 40 12.191 -11.518 -3.161 250 HG23 THR 40 3HG2 THR 40 13.619 -12.550 -3.242 251 H GLU 41 H GLU 41 11.683 -9.593 -7.068 252 HA GLU 41 HA GLU 41 13.670 -7.898 -8.336 253 HB2 GLU 41 1HB GLU 41 13.974 -9.216 -10.283 254 HB3 GLU 41 2HB GLU 41 14.237 -10.294 -8.919 255 HG2 GLU 41 1HG GLU 41 11.516 -10.140 -10.105 256 HG3 GLU 41 2HG GLU 41 12.775 -11.015 -10.975 257 H ALA 42 H ALA 42 12.859 -6.857 -10.286 258 HA ALA 42 HA ALA 42 10.438 -5.653 -10.054 259 HB1 ALA 42 1HB ALA 42 10.615 -5.620 -12.723 260 HB2 ALA 42 2HB ALA 42 11.638 -4.632 -11.679 261 HB3 ALA 42 3HB ALA 42 12.252 -6.149 -12.334 262 HA PRO 43 HA PRO 43 7.476 -8.881 -10.756 263 HB2 PRO 43 1HB PRO 43 5.279 -7.287 -10.794 264 HB3 PRO 43 2HB PRO 43 6.119 -7.729 -9.303 265 HG2 PRO 43 1HG PRO 43 6.313 -5.212 -10.912 266 HG3 PRO 43 2HG PRO 43 6.218 -5.411 -9.152 267 HD2 PRO 43 1HD PRO 43 8.552 -4.939 -10.441 268 HD3 PRO 43 2HD PRO 43 8.459 -5.917 -8.962 269 H LYS 44 H LYS 44 7.352 -9.792 -12.708 270 HA LYS 44 HA LYS 44 7.477 -8.496 -15.164 271 HB2 LYS 44 1HB LYS 44 6.691 -11.208 -14.246 272 HB3 LYS 44 2HB LYS 44 6.183 -10.744 -15.865 273 HG2 LYS 44 1HG LYS 44 8.194 -11.695 -16.339 274 HG3 LYS 44 2HG LYS 44 8.706 -10.025 -16.087 275 HD2 LYS 44 1HD LYS 44 10.236 -11.273 -14.840 276 HD3 LYS 44 2HD LYS 44 9.067 -10.719 -13.639 277 HE2 LYS 44 1HE LYS 44 7.906 -12.889 -13.815 278 HE3 LYS 44 2HE LYS 44 9.138 -13.434 -14.952 279 HZ1 LYS 44 1HZ LYS 44 10.039 -14.238 -13.060 280 HZ2 LYS 44 2HZ LYS 44 9.300 -13.087 -12.064 281 HZ3 LYS 44 3HZ LYS 44 10.681 -12.676 -12.950 282 H GLY 45 H GLY 45 4.591 -9.825 -13.535 283 HA2 GLY 45 1HA GLY 45 2.807 -8.657 -15.462 284 HA3 GLY 45 2HA GLY 45 2.348 -9.477 -13.976 285 H LYS 46 H LYS 46 0.840 -7.988 -13.314 286 HA LYS 46 HA LYS 46 1.721 -5.219 -12.935 287 HB2 LYS 46 1HB LYS 46 -1.013 -6.498 -12.802 288 HB3 LYS 46 2HB LYS 46 -0.705 -4.809 -12.419 289 HG2 LYS 46 1HG LYS 46 0.149 -5.908 -15.059 290 HG3 LYS 46 2HG LYS 46 -1.540 -5.474 -14.784 291 HD2 LYS 46 1HD LYS 46 -1.039 -3.224 -14.469 292 HD3 LYS 46 2HD LYS 46 0.658 -3.553 -14.111 293 HE2 LYS 46 1HE LYS 46 1.100 -4.082 -16.409 294 HE3 LYS 46 2HE LYS 46 -0.615 -3.993 -16.808 295 HZ1 LYS 46 1HZ LYS 46 -0.462 -1.814 -17.101 296 HZ2 LYS 46 2HZ LYS 46 1.218 -1.954 -16.966 297 HZ3 LYS 46 3HZ LYS 46 0.289 -1.582 -15.602 298 H TRP 47 H TRP 47 2.235 -4.445 -10.992 299 HA TRP 47 HA TRP 47 1.652 -6.119 -8.643 300 HB2 TRP 47 1HB TRP 47 4.041 -5.808 -9.075 301 HB3 TRP 47 2HB TRP 47 3.831 -4.059 -9.055 302 HD1 TRP 47 HD TRP 47 3.950 -7.087 -6.715 303 HE1 TRP 47 1HE TRP 47 4.292 -6.249 -4.305 304 HE3 TRP 47 3HE TRP 47 3.447 -2.064 -7.523 305 HZ2 TRP 47 2HZ TRP 47 4.341 -3.785 -2.929 306 HZ3 TRP 47 3HZ TRP 47 3.655 -0.535 -5.606 307 HH2 TRP 47 HH TRP 47 4.092 -1.380 -3.358 308 H TYR 48 H TYR 48 0.711 -5.245 -6.836 309 HA TYR 48 HA TYR 48 -0.025 -2.404 -6.920 310 HB2 TYR 48 1HB TYR 48 -1.907 -4.709 -6.384 311 HB3 TYR 48 2HB TYR 48 -2.303 -3.019 -6.094 312 HD1 TYR 48 1HD TYR 48 -2.237 -1.425 -8.095 313 HD2 TYR 48 2HD TYR 48 -2.239 -5.661 -8.497 314 HE1 TYR 48 1HE TYR 48 -2.996 -1.198 -10.423 315 HE2 TYR 48 2HE TYR 48 -2.997 -5.445 -10.826 316 HH TYR 48 HH TYR 48 -2.781 -3.500 -12.660 317 H CYS 49 H CYS 49 0.740 -1.474 -5.153 318 HA CYS 49 HA CYS 49 1.929 -2.574 -2.994 319 HB2 CYS 49 1HB CYS 49 1.684 -0.519 -1.865 320 HB3 CYS 49 2HB CYS 49 1.638 -0.097 -3.574 321 HA PRO 50 HA PRO 50 -0.994 -4.644 -0.459 322 HB2 PRO 50 1HB PRO 50 -0.016 -4.134 2.022 323 HB3 PRO 50 2HB PRO 50 0.769 -5.241 0.889 324 HG2 PRO 50 1HG PRO 50 1.427 -2.388 1.513 325 HG3 PRO 50 2HG PRO 50 2.521 -3.766 1.296 326 HD2 PRO 50 1HD PRO 50 2.077 -1.937 -0.651 327 HD3 PRO 50 2HD PRO 50 2.423 -3.642 -1.004 328 H GLN 51 H GLN 51 -0.669 -1.273 -0.383 329 HA GLN 51 HA GLN 51 -2.679 -0.818 1.653 330 HB2 GLN 51 1HB GLN 51 -0.898 0.885 -0.013 331 HB3 GLN 51 2HB GLN 51 -2.393 1.605 0.569 332 HG2 GLN 51 1HG GLN 51 -1.558 0.574 2.861 333 HG3 GLN 51 2HG GLN 51 0.009 0.735 2.068 334 HE21 GLN 51 1HE2 GLN 51 -0.258 3.018 0.651 335 HE22 GLN 51 2HE2 GLN 51 -0.513 4.360 1.709 336 H CYS 52 H CYS 52 -2.456 -0.973 -1.826 337 HA CYS 52 HA CYS 52 -5.125 0.098 -2.209 338 HB2 CYS 52 1HB CYS 52 -2.963 -0.885 -4.051 339 HB3 CYS 52 2HB CYS 52 -4.600 -0.632 -4.646 340 H THR 53 H THR 53 -3.531 -2.945 -3.180 341 HA THR 53 HA THR 53 -5.657 -4.430 -3.950 342 HB THR 53 HB THR 53 -3.105 -5.067 -3.566 343 HG1 THR 53 1HG THR 53 -5.406 -6.666 -3.820 344 HG21 THR 53 1HG2 THR 53 -3.565 -5.150 -1.045 345 HG22 THR 53 2HG2 THR 53 -2.694 -6.509 -1.757 346 HG23 THR 53 3HG2 THR 53 -4.409 -6.662 -1.377 347 H ALA 54 H ALA 54 -4.764 -3.650 -0.640 348 HA ALA 54 HA ALA 54 -6.662 -5.397 0.582 349 HB1 ALA 54 1HB ALA 54 -4.519 -3.871 1.458 350 HB2 ALA 54 2HB ALA 54 -5.926 -3.125 2.216 351 HB3 ALA 54 3HB ALA 54 -5.601 -4.842 2.457 352 H ALA 55 H ALA 55 -6.624 -1.947 -0.222 353 HA ALA 55 HA ALA 55 -9.140 -1.351 0.945 354 HB1 ALA 55 1HB ALA 55 -7.965 0.190 -1.342 355 HB2 ALA 55 2HB ALA 55 -8.918 0.777 0.021 356 HB3 ALA 55 3HB ALA 55 -7.252 0.257 0.270 357 H MET 56 H MET 56 -8.153 -1.959 -2.423 358 HA MET 56 HA MET 56 -10.688 -1.705 -3.580 359 HB2 MET 56 1HB MET 56 -8.393 -3.460 -4.473 360 HB3 MET 56 2HB MET 56 -9.761 -2.976 -5.467 361 HG2 MET 56 1HG MET 56 -9.043 -0.590 -5.072 362 HG3 MET 56 2HG MET 56 -7.562 -1.247 -4.380 363 HE1 MET 56 1HE MET 56 -5.821 -3.034 -7.139 364 HE2 MET 56 2HE MET 56 -5.314 -1.559 -6.315 365 HE3 MET 56 3HE MET 56 -6.133 -2.836 -5.414 366 H LYS 57 H LYS 57 -9.069 -4.487 -2.132 367 HA LYS 57 HA LYS 57 -10.952 -6.440 -2.882 368 HB2 LYS 57 1HB LYS 57 -8.799 -6.229 -0.840 369 HB3 LYS 57 2HB LYS 57 -10.002 -7.492 -0.615 370 HG2 LYS 57 1HG LYS 57 -9.504 -8.280 -2.926 371 HG3 LYS 57 2HG LYS 57 -8.185 -7.108 -2.983 372 HD2 LYS 57 1HD LYS 57 -7.496 -8.276 -0.725 373 HD3 LYS 57 2HD LYS 57 -8.442 -9.612 -1.386 374 HE2 LYS 57 1HE LYS 57 -6.218 -8.227 -2.874 375 HE3 LYS 57 2HE LYS 57 -5.994 -9.688 -1.913 376 HZ1 LYS 57 1HZ LYS 57 -7.057 -10.962 -3.431 377 HZ2 LYS 57 2HZ LYS 57 -6.513 -9.760 -4.489 378 HZ3 LYS 57 3HZ LYS 57 -8.107 -9.731 -3.924 379 H ARG 58 H ARG 58 -10.694 -4.402 0.007 380 HA ARG 58 HA ARG 58 -12.606 -5.400 1.644 381 HB2 ARG 58 1HB ARG 58 -11.821 -2.587 0.991 382 HB3 ARG 58 2HB ARG 58 -13.178 -2.872 2.072 383 HG2 ARG 58 1HG ARG 58 -11.636 -4.307 3.449 384 HG3 ARG 58 2HG ARG 58 -10.315 -3.696 2.451 385 HD2 ARG 58 1HD ARG 58 -10.249 -2.202 4.187 386 HD3 ARG 58 2HD ARG 58 -11.344 -1.365 3.087 387 HE ARG 58 HE ARG 58 -12.999 -1.604 4.637 388 HH11 ARG 58 2HH1 ARG 58 -10.484 -3.911 5.326 389 HH12 ARG 58 1HH1 ARG 58 -11.201 -4.447 6.809 390 HH21 ARG 58 2HH2 ARG 58 -13.953 -2.301 6.588 391 HH22 ARG 58 1HH2 ARG 58 -13.175 -3.531 7.526 392 H ARG 59 H ARG 59 -13.103 -4.018 -1.477 393 HA ARG 59 HA ARG 59 -15.961 -3.670 -1.086 394 HB2 ARG 59 1HB ARG 59 -14.289 -3.362 -3.587 395 HB3 ARG 59 2HB ARG 59 -15.972 -2.885 -3.406 396 HG2 ARG 59 1HG ARG 59 -15.313 -1.255 -1.694 397 HG3 ARG 59 2HG ARG 59 -13.625 -1.716 -1.926 398 HD2 ARG 59 1HD ARG 59 -15.424 -0.601 -4.074 399 HD3 ARG 59 2HD ARG 59 -14.254 0.341 -3.151 400 HE ARG 59 HE ARG 59 -12.714 -1.594 -4.177 401 HH11 ARG 59 2HH1 ARG 59 -15.102 0.481 -5.630 402 HH12 ARG 59 1HH1 ARG 59 -14.334 0.496 -7.183 403 HH21 ARG 59 2HH2 ARG 59 -11.693 -1.582 -6.216 404 HH22 ARG 59 1HH2 ARG 59 -12.395 -0.679 -7.515 405 H GLY 60 H GLY 60 -14.624 -6.344 -0.929 406 HA2 GLY 60 1HA GLY 60 -16.534 -8.022 -1.815 407 HA3 GLY 60 2HA GLY 60 -15.578 -7.764 -3.267 408 H SER 61 H SER 61 -14.651 -8.148 0.147 409 HA SER 61 HA SER 61 -13.054 -10.491 -0.656 410 HB2 SER 61 1HB SER 61 -11.799 -8.280 -0.098 411 HB3 SER 61 2HB SER 61 -12.198 -8.667 1.575 412 HG SER 61 HG SER 61 -10.254 -9.611 1.203 413 H ARG 62 H ARG 62 -14.853 -11.790 0.016 414 HA ARG 62 HA ARG 62 -14.630 -12.733 2.664 415 HB2 ARG 62 1HB ARG 62 -16.009 -10.525 2.849 416 HB3 ARG 62 2HB ARG 62 -17.320 -11.495 2.193 417 HG2 ARG 62 1HG ARG 62 -17.343 -12.922 4.057 418 HG3 ARG 62 2HG ARG 62 -15.773 -12.344 4.619 419 HD2 ARG 62 1HD ARG 62 -16.682 -10.241 5.251 420 HD3 ARG 62 2HD ARG 62 -18.205 -10.581 4.430 421 HE ARG 62 HE ARG 62 -18.088 -12.548 6.255 422 HH11 ARG 62 2HH1 ARG 62 -17.647 -9.103 6.495 423 HH12 ARG 62 1HH1 ARG 62 -18.227 -9.011 8.125 424 HH21 ARG 62 2HH2 ARG 62 -18.854 -12.440 8.401 425 HH22 ARG 62 1HH2 ARG 62 -18.912 -10.910 9.208 426 H HIS 63 H HIS 63 -15.681 -14.693 2.959 427 HA HIS 63 HA HIS 63 -16.627 -15.937 0.516 428 HB2 HIS 63 1HB HIS 63 -15.860 -16.951 3.237 429 HB3 HIS 63 2HB HIS 63 -16.737 -17.985 2.114 430 HD1 HIS 63 1HD HIS 63 -13.526 -15.951 2.199 431 HD2 HIS 63 2HD HIS 63 -15.135 -19.325 0.386 432 HE1 HIS 63 1HE HIS 63 -11.640 -16.973 0.887 433 HE2 HIS 63 2HE HIS 63 -12.659 -18.965 -0.270 434 H LYS 64 H LYS 64 -18.622 -14.766 0.332 435 HA LYS 64 HA LYS 64 -20.654 -14.361 2.011 436 HB2 LYS 64 1HB LYS 64 -20.519 -14.220 -0.617 437 HB3 LYS 64 2HB LYS 64 -21.366 -15.758 -0.536 438 HG2 LYS 64 1HG LYS 64 -23.125 -14.677 0.820 439 HG3 LYS 64 2HG LYS 64 -22.292 -13.135 0.615 440 HD2 LYS 64 1HD LYS 64 -23.848 -13.036 -1.080 441 HD3 LYS 64 2HD LYS 64 -22.460 -13.720 -1.929 442 HE2 LYS 64 1HE LYS 64 -23.372 -15.887 -1.887 443 HE3 LYS 64 2HE LYS 64 -24.562 -15.452 -0.662 444 HZ1 LYS 64 1HZ LYS 64 -24.766 -13.895 -3.071 445 HZ2 LYS 64 2HZ LYS 64 -25.971 -14.703 -2.201 446 HZ3 LYS 64 3HZ LYS 64 -25.026 -15.548 -3.322 447 H SER 65 H SER 65 -22.207 -15.462 3.115 448 HA SER 65 HA SER 65 -22.665 -18.273 2.693 449 HB2 SER 65 1HB SER 65 -20.550 -18.048 4.156 450 HB3 SER 65 2HB SER 65 -21.651 -17.508 5.424 451 HG SER 65 HG SER 65 -21.237 -20.022 4.407 452 H GLY 66 H GLY 66 -24.178 -19.114 4.525 453 HA2 GLY 66 1HA GLY 66 -25.924 -16.960 5.497 454 HA3 GLY 66 2HA GLY 66 -26.616 -18.223 4.489 455 HA PRO 67 HA PRO 67 -27.394 -20.651 8.051 456 HB2 PRO 67 1HB PRO 67 -27.153 -23.162 7.046 457 HB3 PRO 67 2HB PRO 67 -28.519 -22.104 6.672 458 HG2 PRO 67 1HG PRO 67 -26.066 -22.674 5.053 459 HG3 PRO 67 2HG PRO 67 -27.754 -22.553 4.523 460 HD2 PRO 67 1HD PRO 67 -25.979 -20.532 4.207 461 HD3 PRO 67 2HD PRO 67 -27.709 -20.249 4.486 462 H SER 68 H SER 68 -26.478 -22.319 9.482 463 HA SER 68 HA SER 68 -23.551 -22.535 9.220 464 HB2 SER 68 1HB SER 68 -25.139 -22.057 11.754 465 HB3 SER 68 2HB SER 68 -23.398 -22.333 11.683 466 HG SER 68 HG SER 68 -24.116 -20.075 11.750 467 H SER 69 H SER 69 -23.101 -24.595 8.812 468 HA SER 69 HA SER 69 -24.618 -26.815 9.037 469 HB2 SER 69 1HB SER 69 -21.645 -26.505 9.438 470 HB3 SER 69 2HB SER 69 -22.424 -28.086 9.418 471 HG SER 69 HG SER 69 -22.828 -27.885 7.326 472 H GLY 70 H GLY 70 -25.289 -28.232 10.570 473 HA2 GLY 70 1HA GLY 70 -24.396 -29.019 12.931 474 HA3 GLY 70 2HA GLY 70 -24.932 -27.397 13.347
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