NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
26481 | 2kl2 | 16380 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 -13.956 -5.719 8.786 2 HA MET 1 HA MET 1 -15.880 -5.356 6.576 3 HB2 MET 1 1HB MET 1 -16.641 -6.207 8.887 4 HB3 MET 1 2HB MET 1 -16.277 -4.596 9.496 5 HG2 MET 1 1HG MET 1 -17.839 -3.773 7.576 6 HG3 MET 1 2HG MET 1 -18.318 -5.461 7.428 7 HE1 MET 1 3HE MET 1 -19.337 -6.858 9.611 8 HE2 MET 1 1HE MET 1 -18.071 -6.196 10.668 9 HE3 MET 1 2HE MET 1 -19.764 -6.048 11.140 10 H ALA 2 H ALA 2 -13.532 -4.108 5.987 11 HA ALA 2 HA ALA 2 -13.818 -1.297 6.887 12 HB1 ALA 2 1HB ALA 2 -11.291 -3.008 7.010 13 HB2 ALA 2 2HB ALA 2 -11.388 -1.269 7.378 14 HB3 ALA 2 3HB ALA 2 -12.233 -2.443 8.401 15 H HIS 3 H HIS 3 -12.213 0.083 5.592 16 HA HIS 3 HA HIS 3 -11.938 -0.879 2.796 17 HB2 HIS 3 1HB HIS 3 -12.649 1.910 3.810 18 HB3 HIS 3 2HB HIS 3 -12.305 1.487 2.127 19 HD1 HIS 3 1HD HIS 3 -15.334 2.151 3.962 20 HD2 HIS 3 2HD HIS 3 -13.912 -0.997 1.532 21 HE1 HIS 3 1HE HIS 3 -17.347 0.768 3.314 22 H ILE 4 H ILE 4 -9.932 -0.751 1.977 23 HA ILE 4 HA ILE 4 -7.896 0.797 3.478 24 HB ILE 4 HB ILE 4 -6.273 -0.939 3.112 25 HG12 ILE 4 1HG1 ILE 4 -8.513 -2.734 2.090 26 HG13 ILE 4 2HG1 ILE 4 -7.299 -1.978 1.058 27 HG21 ILE 4 1HG2 ILE 4 -6.952 -2.329 4.891 28 HG22 ILE 4 2HG2 ILE 4 -7.846 -0.826 5.138 29 HG23 ILE 4 3HG2 ILE 4 -8.676 -2.213 4.451 30 HD11 ILE 4 3HD1 ILE 4 -6.736 -3.981 3.278 31 HD12 ILE 4 1HD1 ILE 4 -6.668 -4.275 1.535 32 HD13 ILE 4 2HD1 ILE 4 -5.501 -3.165 2.293 33 H PHE 5 H PHE 5 -5.821 0.870 1.945 34 HA PHE 5 HA PHE 5 -6.722 1.345 -0.836 35 HB2 PHE 5 1HB PHE 5 -6.761 3.492 0.257 36 HB3 PHE 5 2HB PHE 5 -5.130 3.269 0.885 37 HD1 PHE 5 1HD PHE 5 -7.083 3.322 -2.306 38 HD2 PHE 5 2HD PHE 5 -3.258 4.004 -0.435 39 HE1 PHE 5 1HE PHE 5 -6.222 4.246 -4.419 40 HE2 PHE 5 2HE PHE 5 -2.394 4.918 -2.578 41 HZ PHE 5 HZ PHE 5 -3.889 5.101 -4.544 42 H VAL 6 H VAL 6 -5.287 0.549 -2.291 43 HA VAL 6 HA VAL 6 -2.865 -0.769 -1.191 44 HB VAL 6 HB VAL 6 -4.507 -2.276 -2.327 45 HG11 VAL 6 1HG1 VAL 6 -4.536 -2.356 -4.808 46 HG12 VAL 6 2HG1 VAL 6 -5.300 -0.899 -4.181 47 HG13 VAL 6 3HG1 VAL 6 -3.670 -0.837 -4.890 48 HG21 VAL 6 3HG2 VAL 6 -2.800 -3.461 -3.582 49 HG22 VAL 6 1HG2 VAL 6 -1.763 -2.019 -3.613 50 HG23 VAL 6 2HG2 VAL 6 -2.139 -2.824 -2.069 51 H TYR 7 H TYR 7 -0.953 0.066 -1.895 52 HA TYR 7 HA TYR 7 -0.852 2.310 -3.762 53 HB2 TYR 7 1HB TYR 7 1.610 2.008 -3.478 54 HB3 TYR 7 2HB TYR 7 0.723 2.370 -2.015 55 HD1 TYR 7 1HD TYR 7 0.117 0.352 -0.406 56 HD2 TYR 7 2HD TYR 7 3.202 0.231 -3.424 57 HE1 TYR 7 1HE TYR 7 1.189 -1.495 0.783 58 HE2 TYR 7 2HE TYR 7 4.390 -1.486 -2.114 59 HH TYR 7 HH TYR 7 2.823 -3.248 0.479 60 H GLY 8 H GLY 8 1.011 -0.752 -3.862 61 HA2 GLY 8 2HA GLY 8 0.075 -1.144 -6.689 62 HA3 GLY 8 1HA GLY 8 1.771 -1.085 -6.247 63 H THR 9 H THR 9 0.730 -2.873 -3.547 64 HA THR 9 HA THR 9 2.257 -4.836 -4.903 65 HB THR 9 HB THR 9 1.983 -5.780 -2.404 66 HG1 THR 9 1HG THR 9 1.487 -4.128 -0.998 67 HG21 THR 9 3HG2 THR 9 3.925 -4.367 -1.875 68 HG22 THR 9 1HG2 THR 9 3.511 -3.263 -3.219 69 HG23 THR 9 2HG2 THR 9 4.028 -4.906 -3.558 70 H LEU 10 H LEU 10 -1.022 -4.442 -4.366 71 HA LEU 10 HA LEU 10 -1.606 -7.236 -5.225 72 HB2 LEU 10 1HB LEU 10 -3.434 -5.500 -3.557 73 HB3 LEU 10 2HB LEU 10 -3.601 -7.169 -3.972 74 HG LEU 10 HG LEU 10 -3.090 -6.454 -1.585 75 HD11 LEU 10 1HD1 LEU 10 -1.300 -8.677 -2.535 76 HD12 LEU 10 2HD1 LEU 10 -3.068 -8.848 -2.397 77 HD13 LEU 10 3HD1 LEU 10 -2.098 -8.499 -0.967 78 HD21 LEU 10 3HD2 LEU 10 -0.196 -6.561 -2.104 79 HD22 LEU 10 1HD2 LEU 10 -1.086 -6.258 -0.616 80 HD23 LEU 10 2HD2 LEU 10 -1.149 -5.051 -1.893 81 H LYS 11 H LYS 11 -1.135 -4.359 -6.613 82 HA LYS 11 HA LYS 11 -3.778 -4.292 -8.012 83 HB2 LYS 11 1HB LYS 11 -3.202 -2.143 -6.899 84 HB3 LYS 11 2HB LYS 11 -1.736 -2.040 -7.878 85 HG2 LYS 11 1HG LYS 11 -3.261 -2.198 -9.941 86 HG3 LYS 11 2HG LYS 11 -4.629 -2.037 -8.832 87 HD2 LYS 11 1HD LYS 11 -3.940 0.197 -8.196 88 HD3 LYS 11 2HD LYS 11 -2.392 0.003 -9.053 89 HE2 LYS 11 1HE LYS 11 -3.660 -0.297 -11.190 90 HE3 LYS 11 2HE LYS 11 -5.166 0.069 -10.344 91 HZ1 LYS 11 3HZ LYS 11 -4.477 2.318 -10.094 92 HZ2 LYS 11 1HZ LYS 11 -3.966 1.934 -11.588 93 HZ3 LYS 11 2HZ LYS 11 -2.896 1.973 -10.351 94 H ARG 12 H ARG 12 -0.533 -3.086 -9.279 95 HA ARG 12 HA ARG 12 -1.418 -3.833 -11.714 96 HB2 ARG 12 1HB ARG 12 0.266 -2.131 -11.473 97 HB3 ARG 12 2HB ARG 12 1.410 -3.278 -10.780 98 HG2 ARG 12 1HG ARG 12 2.074 -2.805 -13.034 99 HG3 ARG 12 2HG ARG 12 1.580 -4.479 -12.835 100 HD2 ARG 12 1HD ARG 12 -0.716 -3.746 -13.806 101 HD3 ARG 12 2HD ARG 12 0.093 -2.245 -14.248 102 HE ARG 12 HE ARG 12 1.401 -3.365 -15.802 103 HH11 ARG 12 1HH1 ARG 12 -0.739 -5.750 -14.110 104 HH12 ARG 12 2HH1 ARG 12 -0.398 -6.997 -15.225 105 HH21 ARG 12 1HH2 ARG 12 1.672 -5.142 -17.371 106 HH22 ARG 12 2HH2 ARG 12 0.712 -6.561 -17.174 107 H GLY 13 H GLY 13 1.260 -5.557 -10.018 108 HA2 GLY 13 2HA GLY 13 0.511 -8.178 -10.803 109 HA3 GLY 13 1HA GLY 13 1.560 -7.462 -12.053 110 H GLN 14 H GLN 14 1.248 -7.891 -8.534 111 HA GLN 14 HA GLN 14 4.202 -7.782 -8.214 112 HB2 GLN 14 1HB GLN 14 1.994 -6.354 -6.821 113 HB3 GLN 14 2HB GLN 14 3.230 -7.060 -5.787 114 HG2 GLN 14 1HG GLN 14 3.853 -4.826 -6.244 115 HG3 GLN 14 2HG GLN 14 4.996 -5.879 -7.060 116 HE21 GLN 14 1HE2 GLN 14 1.869 -4.097 -7.798 117 HE22 GLN 14 2HE2 GLN 14 2.443 -3.536 -9.315 118 HA PRO 15 HA PRO 15 4.073 -11.833 -6.797 119 HB2 PRO 15 1HB PRO 15 5.614 -11.757 -4.407 120 HB3 PRO 15 2HB PRO 15 6.251 -11.816 -6.075 121 HG2 PRO 15 1HG PRO 15 5.814 -9.452 -4.254 122 HG3 PRO 15 2HG PRO 15 7.191 -9.765 -5.358 123 HD2 PRO 15 1HD PRO 15 5.283 -8.036 -6.008 124 HD3 PRO 15 2HD PRO 15 6.001 -9.108 -7.241 125 H ASN 16 H ASN 16 3.393 -9.476 -4.306 126 HA ASN 16 HA ASN 16 2.309 -11.090 -2.298 127 HB2 ASN 16 1HB ASN 16 1.473 -8.225 -2.849 128 HB3 ASN 16 2HB ASN 16 1.568 -8.976 -1.301 129 HD21 ASN 16 1HD2 ASN 16 3.149 -7.184 -3.730 130 HD22 ASN 16 2HD2 ASN 16 4.773 -7.124 -3.050 131 H HIS 17 H HIS 17 0.772 -9.971 -5.294 132 HA HIS 17 HA HIS 17 -1.834 -9.552 -4.476 133 HB2 HIS 17 1HB HIS 17 -0.741 -9.121 -6.710 134 HB3 HIS 17 2HB HIS 17 -0.996 -10.812 -7.105 135 HD1 HIS 17 1HD HIS 17 -2.529 -7.727 -8.087 136 HD2 HIS 17 2HD HIS 17 -4.000 -11.301 -6.399 137 HE1 HIS 17 1HE HIS 17 -4.979 -7.768 -8.542 138 H LYS 18 H LYS 18 -0.261 -12.732 -4.963 139 HA LYS 18 HA LYS 18 -2.539 -14.317 -5.222 140 HB2 LYS 18 1HB LYS 18 -1.174 -16.171 -4.712 141 HB3 LYS 18 2HB LYS 18 -0.168 -15.010 -5.548 142 HG2 LYS 18 1HG LYS 18 1.252 -15.738 -3.903 143 HG3 LYS 18 2HG LYS 18 0.659 -14.255 -3.195 144 HD2 LYS 18 1HD LYS 18 -0.491 -15.358 -1.542 145 HD3 LYS 18 2HD LYS 18 -0.884 -16.767 -2.525 146 HE2 LYS 18 1HE LYS 18 1.970 -16.200 -1.657 147 HE3 LYS 18 2HE LYS 18 0.818 -17.008 -0.572 148 HZ1 LYS 18 3HZ LYS 18 0.561 -18.771 -2.033 149 HZ2 LYS 18 1HZ LYS 18 2.192 -18.517 -1.908 150 HZ3 LYS 18 2HZ LYS 18 1.398 -18.032 -3.262 151 H VAL 19 H VAL 19 -1.471 -12.729 -2.284 152 HA VAL 19 HA VAL 19 -2.523 -14.547 -0.407 153 HB VAL 19 HB VAL 19 -2.507 -12.626 1.127 154 HG11 VAL 19 1HG1 VAL 19 -0.415 -13.770 0.730 155 HG12 VAL 19 2HG1 VAL 19 -0.090 -12.840 -0.739 156 HG13 VAL 19 3HG1 VAL 19 -0.070 -12.038 0.821 157 HG21 VAL 19 3HG2 VAL 19 -2.286 -10.934 -1.330 158 HG22 VAL 19 1HG2 VAL 19 -3.337 -10.770 0.077 159 HG23 VAL 19 2HG2 VAL 19 -1.617 -10.404 0.229 160 H MET 20 H MET 20 -4.104 -11.823 -2.113 161 HA MET 20 HA MET 20 -6.601 -12.252 -0.675 162 HB2 MET 20 1HB MET 20 -7.411 -10.375 -1.913 163 HB3 MET 20 2HB MET 20 -5.800 -9.995 -1.304 164 HG2 MET 20 1HG MET 20 -4.814 -10.138 -3.438 165 HG3 MET 20 2HG MET 20 -6.167 -11.019 -4.126 166 HE1 MET 20 3HE MET 20 -6.584 -6.552 -2.942 167 HE2 MET 20 1HE MET 20 -6.649 -7.920 -1.810 168 HE3 MET 20 2HE MET 20 -5.120 -7.486 -2.550 169 H LEU 21 H LEU 21 -5.335 -14.269 -2.863 170 HA LEU 21 HA LEU 21 -7.754 -14.468 -4.579 171 HB2 LEU 21 1HB LEU 21 -5.032 -15.828 -4.826 172 HB3 LEU 21 2HB LEU 21 -6.337 -15.939 -5.981 173 HG LEU 21 HG LEU 21 -4.730 -13.456 -5.361 174 HD11 LEU 21 1HD1 LEU 21 -3.653 -15.304 -6.715 175 HD12 LEU 21 2HD1 LEU 21 -3.797 -13.747 -7.517 176 HD13 LEU 21 3HD1 LEU 21 -4.920 -15.087 -7.925 177 HD21 LEU 21 3HD2 LEU 21 -7.062 -13.852 -7.293 178 HD22 LEU 21 1HD2 LEU 21 -5.991 -12.433 -7.265 179 HD23 LEU 21 2HD2 LEU 21 -7.023 -12.776 -5.883 180 H ASP 22 H ASP 22 -6.792 -15.552 -1.631 181 HA ASP 22 HA ASP 22 -8.346 -18.059 -1.860 182 HB2 ASP 22 1HB ASP 22 -5.703 -17.627 -0.439 183 HB3 ASP 22 2HB ASP 22 -6.837 -18.851 0.084 184 H HIS 23 H HIS 23 -10.140 -17.331 -0.865 185 HA HIS 23 HA HIS 23 -10.449 -15.132 0.826 186 HB2 HIS 23 1HB HIS 23 -12.350 -16.154 -0.268 187 HB3 HIS 23 2HB HIS 23 -12.082 -17.683 0.579 188 HD1 HIS 23 1HD HIS 23 -13.769 -17.995 2.534 189 HD2 HIS 23 2HD HIS 23 -12.661 -14.003 1.775 190 HE1 HIS 23 1HE HIS 23 -14.957 -16.590 4.290 191 H SER 24 H SER 24 -9.314 -18.372 1.688 192 HA SER 24 HA SER 24 -9.736 -18.259 4.460 193 HB2 SER 24 1HB SER 24 -7.505 -19.666 3.179 194 HB3 SER 24 2HB SER 24 -8.494 -20.168 4.560 195 HG SER 24 HG SER 24 -9.028 -21.273 2.563 196 H HIS 25 H HIS 25 -7.311 -16.555 2.492 197 HA HIS 25 HA HIS 25 -5.717 -15.819 4.888 198 HB2 HIS 25 1HB HIS 25 -5.580 -14.686 2.083 199 HB3 HIS 25 2HB HIS 25 -4.399 -14.500 3.371 200 HD1 HIS 25 1HD HIS 25 -4.261 -15.886 0.338 201 HD2 HIS 25 2HD HIS 25 -4.031 -17.648 4.126 202 HE1 HIS 25 1HE HIS 25 -2.861 -18.026 0.041 203 H GLY 26 H GLY 26 -8.657 -14.918 3.388 204 HA2 GLY 26 2HA GLY 26 -9.873 -13.347 4.869 205 HA3 GLY 26 1HA GLY 26 -8.572 -12.195 4.525 206 H LEU 27 H LEU 27 -11.004 -11.440 4.039 207 HA LEU 27 HA LEU 27 -11.987 -12.020 1.351 208 HB2 LEU 27 1HB LEU 27 -13.333 -11.666 3.482 209 HB3 LEU 27 2HB LEU 27 -12.848 -9.989 3.420 210 HG LEU 27 HG LEU 27 -15.167 -10.503 2.745 211 HD11 LEU 27 1HD1 LEU 27 -15.349 -8.970 0.910 212 HD12 LEU 27 2HD1 LEU 27 -13.652 -9.163 0.502 213 HD13 LEU 27 3HD1 LEU 27 -14.109 -8.383 2.027 214 HD21 LEU 27 3HD2 LEU 27 -14.684 -12.594 1.553 215 HD22 LEU 27 1HD2 LEU 27 -13.921 -11.689 0.238 216 HD23 LEU 27 2HD2 LEU 27 -15.665 -11.476 0.590 217 H ALA 28 H ALA 28 -11.685 -10.740 -0.414 218 HA ALA 28 HA ALA 28 -11.027 -7.887 -0.012 219 HB1 ALA 28 1HB ALA 28 -9.735 -9.678 -2.115 220 HB2 ALA 28 2HB ALA 28 -9.544 -7.902 -1.966 221 HB3 ALA 28 3HB ALA 28 -8.949 -9.008 -0.661 222 H ALA 29 H ALA 29 -12.345 -6.571 -1.332 223 HA ALA 29 HA ALA 29 -13.477 -7.752 -3.792 224 HB1 ALA 29 1HB ALA 29 -15.174 -6.189 -1.793 225 HB2 ALA 29 2HB ALA 29 -15.688 -6.797 -3.374 226 HB3 ALA 29 3HB ALA 29 -15.288 -7.929 -2.073 227 H PHE 30 H PHE 30 -13.693 -6.161 -5.394 228 HA PHE 30 HA PHE 30 -11.934 -3.830 -5.212 229 HB2 PHE 30 1HB PHE 30 -11.913 -5.121 -7.250 230 HB3 PHE 30 2HB PHE 30 -13.660 -5.046 -7.397 231 HD1 PHE 30 1HD PHE 30 -10.577 -2.881 -7.450 232 HD2 PHE 30 2HD PHE 30 -14.707 -3.335 -8.636 233 HE1 PHE 30 1HE PHE 30 -10.400 -0.889 -8.909 234 HE2 PHE 30 2HE PHE 30 -14.525 -1.307 -10.042 235 HZ PHE 30 HZ PHE 30 -12.372 -0.073 -10.174 236 H ARG 31 H ARG 31 -12.781 -2.354 -3.826 237 HA ARG 31 HA ARG 31 -15.664 -1.652 -3.997 238 HB2 ARG 31 1HB ARG 31 -14.647 -2.562 -1.851 239 HB3 ARG 31 2HB ARG 31 -13.591 -1.155 -1.796 240 HG2 ARG 31 1HG ARG 31 -15.516 -0.935 -0.291 241 HG3 ARG 31 2HG ARG 31 -15.523 0.330 -1.509 242 HD2 ARG 31 1HD ARG 31 -17.762 -0.513 -1.148 243 HD3 ARG 31 2HD ARG 31 -17.203 -0.856 -2.781 244 HE ARG 31 HE ARG 31 -17.134 -2.963 -0.626 245 HH11 ARG 31 1HH1 ARG 31 -18.570 -1.876 -3.682 246 HH12 ARG 31 2HH1 ARG 31 -19.123 -3.453 -4.124 247 HH21 ARG 31 1HH2 ARG 31 -17.936 -4.923 -1.109 248 HH22 ARG 31 2HH2 ARG 31 -18.639 -5.331 -2.662 249 H GLY 32 H GLY 32 -14.320 -0.852 -6.113 250 HA2 GLY 32 2HA GLY 32 -14.200 1.224 -7.249 251 HA3 GLY 32 1HA GLY 32 -14.194 2.032 -5.683 252 H ARG 33 H ARG 33 -12.485 3.269 -6.738 253 HA ARG 33 HA ARG 33 -9.827 2.116 -6.271 254 HB2 ARG 33 1HB ARG 33 -8.926 2.410 -8.460 255 HB3 ARG 33 2HB ARG 33 -10.398 1.446 -8.554 256 HG2 ARG 33 1HG ARG 33 -11.540 3.763 -9.169 257 HG3 ARG 33 2HG ARG 33 -9.872 4.235 -9.527 258 HD2 ARG 33 1HD ARG 33 -10.025 1.752 -10.746 259 HD3 ARG 33 2HD ARG 33 -11.679 2.325 -10.946 260 HE ARG 33 HE ARG 33 -9.147 3.485 -11.952 261 HH11 ARG 33 1HH1 ARG 33 -12.751 3.440 -12.274 262 HH12 ARG 33 2HH1 ARG 33 -12.725 4.542 -13.593 263 HH21 ARG 33 1HH2 ARG 33 -9.183 4.891 -13.691 264 HH22 ARG 33 2HH2 ARG 33 -10.624 5.206 -14.557 265 H GLY 34 H GLY 34 -8.006 4.048 -6.793 266 HA2 GLY 34 2HA GLY 34 -9.013 6.699 -6.284 267 HA3 GLY 34 1HA GLY 34 -8.685 5.825 -4.776 268 H CYS 35 H CYS 35 -7.495 7.980 -4.962 269 HA CYS 35 HA CYS 35 -4.712 7.094 -5.180 270 HB2 CYS 35 1HB CYS 35 -3.930 9.008 -6.181 271 HB3 CYS 35 2HB CYS 35 -5.155 8.405 -7.288 272 HG CYS 35 HG CYS 35 -6.888 10.309 -6.742 273 H THR 36 H THR 36 -3.221 8.422 -3.736 274 HA THR 36 HA THR 36 -4.703 9.553 -1.444 275 HB THR 36 HB THR 36 -2.649 9.660 -0.303 276 HG1 THR 36 1HG THR 36 -1.242 10.352 -1.776 277 HG21 THR 36 3HG2 THR 36 -3.677 7.344 -0.697 278 HG22 THR 36 1HG2 THR 36 -1.960 7.373 -0.221 279 HG23 THR 36 2HG2 THR 36 -2.415 7.101 -1.917 280 H VAL 37 H VAL 37 -5.727 11.465 -2.341 281 HA VAL 37 HA VAL 37 -4.232 13.386 -3.875 282 HB VAL 37 HB VAL 37 -5.981 15.002 -2.854 283 HG11 VAL 37 1HG1 VAL 37 -7.599 14.229 -4.594 284 HG12 VAL 37 2HG1 VAL 37 -5.934 14.282 -5.164 285 HG13 VAL 37 3HG1 VAL 37 -6.657 12.726 -4.753 286 HG21 VAL 37 3HG2 VAL 37 -7.373 12.374 -2.178 287 HG22 VAL 37 1HG2 VAL 37 -6.773 13.564 -1.003 288 HG23 VAL 37 2HG2 VAL 37 -8.063 13.993 -2.123 289 H GLU 38 H GLU 38 -4.399 12.618 -0.533 290 HA GLU 38 HA GLU 38 -2.777 14.804 0.467 291 HB2 GLU 38 1HB GLU 38 -4.290 12.694 1.557 292 HB3 GLU 38 2HB GLU 38 -2.641 12.249 1.897 293 HG2 GLU 38 1HG GLU 38 -2.299 14.379 3.109 294 HG3 GLU 38 2HG GLU 38 -3.801 14.994 2.459 295 H SER 39 H SER 39 -0.787 15.068 -0.138 296 HA SER 39 HA SER 39 0.712 13.272 -1.802 297 HB2 SER 39 1HB SER 39 2.137 15.514 -0.455 298 HB3 SER 39 2HB SER 39 2.043 15.098 -2.130 299 HG SER 39 HG SER 39 1.048 17.069 -1.750 300 H PHE 40 H PHE 40 2.099 11.620 -1.009 301 HA PHE 40 HA PHE 40 3.172 11.957 1.822 302 HB2 PHE 40 1HB PHE 40 1.945 9.535 0.459 303 HB3 PHE 40 2HB PHE 40 3.086 9.368 1.759 304 HD1 PHE 40 1HD PHE 40 2.527 10.720 3.985 305 HD2 PHE 40 2HD PHE 40 -0.309 9.732 0.904 306 HE1 PHE 40 1HE PHE 40 0.641 10.929 5.641 307 HE2 PHE 40 2HE PHE 40 -2.136 10.048 2.499 308 HZ PHE 40 HZ PHE 40 -1.713 10.549 4.853 309 HA PRO 41 HA PRO 41 7.023 10.898 -0.190 310 HB2 PRO 41 1HB PRO 41 8.439 9.935 1.955 311 HB3 PRO 41 2HB PRO 41 7.996 11.678 1.791 312 HG2 PRO 41 1HG PRO 41 6.573 9.525 3.352 313 HG3 PRO 41 2HG PRO 41 6.984 11.199 3.897 314 HD2 PRO 41 1HD PRO 41 4.554 10.504 3.042 315 HD3 PRO 41 2HD PRO 41 5.259 12.113 2.723 316 H LEU 42 H LEU 42 6.347 9.183 -1.604 317 HA LEU 42 HA LEU 42 6.571 6.421 -0.496 318 HB2 LEU 42 1HB LEU 42 4.760 6.457 -2.033 319 HB3 LEU 42 2HB LEU 42 5.616 7.502 -3.172 320 HG LEU 42 HG LEU 42 7.111 5.705 -3.832 321 HD11 LEU 42 1HD1 LEU 42 6.674 3.377 -3.011 322 HD12 LEU 42 2HD1 LEU 42 5.660 4.085 -1.694 323 HD13 LEU 42 3HD1 LEU 42 7.380 4.416 -1.796 324 HD21 LEU 42 3HD2 LEU 42 4.983 5.970 -4.991 325 HD22 LEU 42 1HD2 LEU 42 4.182 4.884 -3.843 326 HD23 LEU 42 2HD2 LEU 42 5.454 4.272 -4.933 327 H VAL 43 H VAL 43 8.645 5.853 -0.269 328 HA VAL 43 HA VAL 43 10.647 6.801 -2.266 329 HB VAL 43 HB VAL 43 12.204 6.812 -0.250 330 HG11 VAL 43 1HG1 VAL 43 9.875 8.775 -0.170 331 HG12 VAL 43 2HG1 VAL 43 11.486 9.041 0.521 332 HG13 VAL 43 3HG1 VAL 43 11.286 8.908 -1.226 333 HG21 VAL 43 3HG2 VAL 43 9.678 7.020 1.464 334 HG22 VAL 43 1HG2 VAL 43 10.581 5.520 1.304 335 HG23 VAL 43 2HG2 VAL 43 11.368 6.941 2.005 336 H ILE 44 H ILE 44 12.270 5.177 -2.826 337 HA ILE 44 HA ILE 44 11.527 2.417 -2.007 338 HB ILE 44 HB ILE 44 13.233 3.235 -4.344 339 HG12 ILE 44 1HG1 ILE 44 10.735 1.796 -4.970 340 HG13 ILE 44 2HG1 ILE 44 10.368 3.280 -4.124 341 HG21 ILE 44 1HG2 ILE 44 12.998 0.808 -4.974 342 HG22 ILE 44 2HG2 ILE 44 13.879 1.004 -3.466 343 HG23 ILE 44 3HG2 ILE 44 12.185 0.491 -3.434 344 HD11 ILE 44 3HD1 ILE 44 10.450 3.535 -6.610 345 HD12 ILE 44 1HD1 ILE 44 11.563 4.620 -5.736 346 HD13 ILE 44 2HD1 ILE 44 12.189 3.178 -6.546 347 H ALA 45 H ALA 45 12.770 1.419 -0.490 348 HA ALA 45 HA ALA 45 15.598 2.149 -0.251 349 HB1 ALA 45 1HB ALA 45 14.333 3.612 1.316 350 HB2 ALA 45 2HB ALA 45 13.667 2.151 2.099 351 HB3 ALA 45 3HB ALA 45 15.407 2.493 2.152 352 H GLY 46 H GLY 46 16.321 0.704 1.814 353 HA2 GLY 46 2HA GLY 46 16.723 -1.326 2.704 354 HA3 GLY 46 1HA GLY 46 15.195 -1.933 2.035 355 H GLU 47 H GLU 47 17.635 -3.431 2.098 356 HA GLU 47 HA GLU 47 18.876 -3.252 -0.535 357 HB2 GLU 47 1HB GLU 47 20.040 -3.792 1.680 358 HB3 GLU 47 2HB GLU 47 19.178 -5.341 1.651 359 HG2 GLU 47 1HG GLU 47 21.602 -5.372 0.868 360 HG3 GLU 47 2HG GLU 47 20.432 -6.114 -0.208 361 H HIS 48 H HIS 48 16.052 -4.568 0.561 362 HA HIS 48 HA HIS 48 16.015 -6.584 -1.606 363 HB2 HIS 48 1HB HIS 48 14.651 -6.431 1.062 364 HB3 HIS 48 2HB HIS 48 13.812 -7.245 -0.228 365 HD1 HIS 48 1HD HIS 48 14.600 -9.705 -0.905 366 HD2 HIS 48 2HD HIS 48 16.928 -7.477 1.762 367 HE1 HIS 48 1HE HIS 48 16.379 -11.308 -0.063 368 H ASN 49 H ASN 49 15.425 -3.403 -1.482 369 HA ASN 49 HA ASN 49 14.188 -1.971 -2.624 370 HB2 ASN 49 1HB ASN 49 13.302 -4.323 -4.294 371 HB3 ASN 49 2HB ASN 49 13.206 -2.662 -4.792 372 HD21 ASN 49 1HD2 ASN 49 14.875 -2.187 -6.265 373 HD22 ASN 49 2HD2 ASN 49 16.446 -2.967 -6.252 374 H ILE 50 H ILE 50 13.166 -2.077 -0.478 375 HA ILE 50 HA ILE 50 10.371 -3.018 -0.407 376 HB ILE 50 HB ILE 50 12.225 -2.465 1.953 377 HG12 ILE 50 1HG1 ILE 50 11.281 -5.157 0.876 378 HG13 ILE 50 2HG1 ILE 50 12.909 -4.544 0.650 379 HG21 ILE 50 1HG2 ILE 50 10.386 -3.373 3.279 380 HG22 ILE 50 2HG2 ILE 50 9.719 -2.121 2.245 381 HG23 ILE 50 3HG2 ILE 50 9.501 -3.833 1.798 382 HD11 ILE 50 3HD1 ILE 50 11.643 -5.217 3.332 383 HD12 ILE 50 1HD1 ILE 50 12.904 -6.112 2.490 384 HD13 ILE 50 2HD1 ILE 50 13.246 -4.476 3.110 385 HA PRO 51 HA PRO 51 10.519 1.614 -0.577 386 HB2 PRO 51 1HB PRO 51 8.130 2.116 -1.810 387 HB3 PRO 51 2HB PRO 51 9.514 1.495 -2.763 388 HG2 PRO 51 1HG PRO 51 7.253 -0.090 -1.508 389 HG3 PRO 51 2HG PRO 51 7.800 -0.114 -3.194 390 HD2 PRO 51 1HD PRO 51 8.670 -1.904 -1.304 391 HD3 PRO 51 2HD PRO 51 9.753 -1.352 -2.638 392 H TRP 52 H TRP 52 9.230 3.159 0.658 393 HA TRP 52 HA TRP 52 7.337 1.871 2.568 394 HB2 TRP 52 1HB TRP 52 9.559 3.807 3.323 395 HB3 TRP 52 2HB TRP 52 8.341 3.145 4.399 396 HD1 TRP 52 HD TRP 52 11.280 1.903 2.249 397 HE1 TRP 52 1HE TRP 52 12.274 -0.182 3.242 398 HE3 TRP 52 3HE TRP 52 8.065 1.295 6.163 399 HZ2 TRP 52 2HZ TRP 52 11.917 -1.806 5.650 400 HZ3 TRP 52 3HZ TRP 52 8.371 -0.537 7.751 401 HH2 TRP 52 HH TRP 52 10.342 -2.084 7.555 402 H LEU 53 H LEU 53 5.681 3.205 3.232 403 HA LEU 53 HA LEU 53 5.637 5.948 2.154 404 HB2 LEU 53 1HB LEU 53 3.769 4.222 1.614 405 HB3 LEU 53 2HB LEU 53 3.319 4.366 3.316 406 HG LEU 53 HG LEU 53 3.209 6.931 2.860 407 HD11 LEU 53 1HD1 LEU 53 4.271 7.102 0.735 408 HD12 LEU 53 2HD1 LEU 53 2.541 7.375 0.438 409 HD13 LEU 53 3HD1 LEU 53 3.278 5.827 0.029 410 HD21 LEU 53 3HD2 LEU 53 1.256 5.576 3.305 411 HD22 LEU 53 1HD2 LEU 53 1.246 4.932 1.670 412 HD23 LEU 53 2HD2 LEU 53 0.872 6.662 1.970 413 H LEU 54 H LEU 54 6.578 7.212 3.500 414 HA LEU 54 HA LEU 54 6.490 6.694 6.388 415 HB2 LEU 54 1HB LEU 54 7.376 9.280 5.244 416 HB3 LEU 54 2HB LEU 54 7.975 8.455 6.659 417 HG LEU 54 HG LEU 54 8.581 7.825 3.737 418 HD11 LEU 54 1HD1 LEU 54 10.850 8.523 4.274 419 HD12 LEU 54 2HD1 LEU 54 10.392 8.819 5.968 420 HD13 LEU 54 3HD1 LEU 54 9.705 9.813 4.664 421 HD21 LEU 54 3HD2 LEU 54 9.648 6.398 6.207 422 HD22 LEU 54 1HD2 LEU 54 10.195 6.157 4.523 423 HD23 LEU 54 2HD2 LEU 54 8.563 5.702 4.985 424 H TYR 55 H TYR 55 5.210 7.965 7.895 425 HA TYR 55 HA TYR 55 2.740 8.926 6.671 426 HB2 TYR 55 1HB TYR 55 2.833 7.449 8.697 427 HB3 TYR 55 2HB TYR 55 3.422 8.812 9.616 428 HD1 TYR 55 1HD TYR 55 0.675 8.382 7.016 429 HD2 TYR 55 2HD TYR 55 1.694 9.608 11.027 430 HE1 TYR 55 1HE TYR 55 -1.680 8.963 7.423 431 HE2 TYR 55 2HE TYR 55 -0.692 10.129 11.456 432 HH TYR 55 HH TYR 55 -3.240 9.486 9.022 433 H LEU 56 H LEU 56 3.430 10.773 5.498 434 HA LEU 56 HA LEU 56 3.823 13.143 7.238 435 HB2 LEU 56 1HB LEU 56 5.998 12.169 6.055 436 HB3 LEU 56 2HB LEU 56 5.401 13.014 4.691 437 HG LEU 56 HG LEU 56 6.795 14.575 5.663 438 HD11 LEU 56 1HD1 LEU 56 4.194 15.392 7.036 439 HD12 LEU 56 2HD1 LEU 56 4.530 15.643 5.320 440 HD13 LEU 56 3HD1 LEU 56 5.538 16.431 6.538 441 HD21 LEU 56 3HD2 LEU 56 7.303 13.391 7.675 442 HD22 LEU 56 1HD2 LEU 56 5.712 13.730 8.375 443 HD23 LEU 56 2HD2 LEU 56 6.888 15.050 8.088 444 HA PRO 57 HA PRO 57 0.431 13.635 4.321 445 HB2 PRO 57 1HB PRO 57 -1.046 15.564 5.641 446 HB3 PRO 57 2HB PRO 57 -1.189 13.794 5.879 447 HG2 PRO 57 1HG PRO 57 0.470 15.766 7.464 448 HG3 PRO 57 2HG PRO 57 -0.616 14.485 8.081 449 HD2 PRO 57 1HD PRO 57 2.059 14.083 7.946 450 HD3 PRO 57 2HD PRO 57 0.950 12.764 7.476 451 H GLY 58 H GLY 58 0.524 15.011 2.462 452 HA2 GLY 58 2HA GLY 58 0.824 16.946 1.300 453 HA3 GLY 58 1HA GLY 58 1.023 17.836 2.811 454 H LYS 59 H LYS 59 3.244 15.097 2.394 455 HA LYS 59 HA LYS 59 5.337 16.906 1.206 456 HB2 LYS 59 1HB LYS 59 5.918 16.439 3.543 457 HB3 LYS 59 2HB LYS 59 5.500 14.740 3.330 458 HG2 LYS 59 1HG LYS 59 7.851 14.790 3.360 459 HG3 LYS 59 2HG LYS 59 7.399 14.499 1.694 460 HD2 LYS 59 1HD LYS 59 9.143 16.070 1.596 461 HD3 LYS 59 2HD LYS 59 7.694 17.041 1.312 462 HE2 LYS 59 1HE LYS 59 7.691 17.803 3.636 463 HE3 LYS 59 2HE LYS 59 8.979 16.670 4.057 464 HZ1 LYS 59 3HZ LYS 59 10.475 17.900 2.612 465 HZ2 LYS 59 1HZ LYS 59 9.819 18.888 3.736 466 HZ3 LYS 59 2HZ LYS 59 9.285 18.971 2.215 467 H GLY 60 H GLY 60 5.772 16.110 -0.894 468 HA2 GLY 60 2HA GLY 60 6.644 14.403 -2.165 469 HA3 GLY 60 1HA GLY 60 5.798 13.156 -1.249 470 H HIS 61 H HIS 61 4.516 12.154 -2.817 471 HA HIS 61 HA HIS 61 2.877 13.883 -4.620 472 HB2 HIS 61 1HB HIS 61 4.512 11.411 -5.290 473 HB3 HIS 61 2HB HIS 61 3.167 11.928 -6.267 474 HD1 HIS 61 1HD HIS 61 3.527 14.909 -6.688 475 HD2 HIS 61 2HD HIS 61 6.443 11.890 -6.802 476 HE1 HIS 61 1HE HIS 61 5.427 15.842 -8.138 477 H CYS 62 H CYS 62 1.240 12.582 -5.748 478 HA CYS 62 HA CYS 62 -0.461 11.271 -3.780 479 HB2 CYS 62 1HB CYS 62 -0.974 12.197 -6.657 480 HB3 CYS 62 2HB CYS 62 -2.204 11.720 -5.473 481 HG CYS 62 HG CYS 62 -0.027 14.227 -5.385 482 H VAL 63 H VAL 63 -0.159 9.132 -3.532 483 HA VAL 63 HA VAL 63 0.806 7.492 -5.731 484 HB VAL 63 HB VAL 63 -0.093 6.849 -2.904 485 HG11 VAL 63 1HG1 VAL 63 0.916 4.570 -3.354 486 HG12 VAL 63 2HG1 VAL 63 -0.618 4.856 -4.183 487 HG13 VAL 63 3HG1 VAL 63 0.909 4.966 -5.079 488 HG21 VAL 63 3HG2 VAL 63 2.288 6.453 -2.575 489 HG22 VAL 63 1HG2 VAL 63 2.607 6.657 -4.315 490 HG23 VAL 63 2HG2 VAL 63 2.092 8.035 -3.352 491 H THR 64 H THR 64 -0.409 6.863 -7.312 492 HA THR 64 HA THR 64 -3.333 6.673 -7.224 493 HB THR 64 HB THR 64 -3.037 5.752 -9.489 494 HG1 THR 64 1HG THR 64 -0.244 6.212 -9.037 495 HG21 THR 64 3HG2 THR 64 -3.110 8.216 -9.103 496 HG22 THR 64 1HG2 THR 64 -2.174 7.763 -10.542 497 HG23 THR 64 2HG2 THR 64 -1.331 8.239 -9.057 498 H GLY 65 H GLY 65 -4.534 4.546 -7.427 499 HA2 GLY 65 2HA GLY 65 -3.334 2.035 -6.988 500 HA3 GLY 65 1HA GLY 65 -3.602 2.818 -5.432 501 H GLU 66 H GLU 66 -5.167 1.124 -4.918 502 HA GLU 66 HA GLU 66 -7.794 1.477 -6.214 503 HB2 GLU 66 1HB GLU 66 -6.015 -0.718 -6.717 504 HB3 GLU 66 2HB GLU 66 -7.312 -1.353 -5.695 505 HG2 GLU 66 1HG GLU 66 -8.993 -0.748 -7.208 506 HG3 GLU 66 2HG GLU 66 -7.944 0.379 -8.085 507 H ILE 67 H ILE 67 -9.621 0.344 -4.892 508 HA ILE 67 HA ILE 67 -8.970 0.539 -2.007 509 HB ILE 67 HB ILE 67 -11.476 1.511 -3.455 510 HG12 ILE 67 1HG1 ILE 67 -9.363 3.204 -2.056 511 HG13 ILE 67 2HG1 ILE 67 -9.484 3.014 -3.805 512 HG21 ILE 67 1HG2 ILE 67 -11.867 0.595 -1.116 513 HG22 ILE 67 2HG2 ILE 67 -10.750 1.833 -0.502 514 HG23 ILE 67 3HG2 ILE 67 -12.272 2.285 -1.293 515 HD11 ILE 67 3HD1 ILE 67 -11.553 4.321 -2.018 516 HD12 ILE 67 1HD1 ILE 67 -10.531 5.084 -3.241 517 HD13 ILE 67 2HD1 ILE 67 -11.802 3.946 -3.736 518 H TYR 68 H TYR 68 -9.035 -1.413 -1.288 519 HA TYR 68 HA TYR 68 -11.130 -3.228 -2.286 520 HB2 TYR 68 1HB TYR 68 -8.587 -3.777 -0.730 521 HB3 TYR 68 2HB TYR 68 -9.794 -4.978 -1.189 522 HD1 TYR 68 2HD TYR 68 -10.487 -4.870 -3.766 523 HD2 TYR 68 1HD TYR 68 -6.659 -3.649 -2.210 524 HE1 TYR 68 2HE TYR 68 -9.513 -5.079 -6.042 525 HE2 TYR 68 1HE TYR 68 -5.650 -4.079 -4.427 526 HH TYR 68 HH TYR 68 -7.417 -4.062 -7.268 527 H GLU 69 H GLU 69 -12.780 -3.746 -1.067 528 HA GLU 69 HA GLU 69 -13.093 -2.966 1.762 529 HB2 GLU 69 1HB GLU 69 -15.093 -3.173 0.309 530 HB3 GLU 69 2HB GLU 69 -14.605 -4.817 -0.122 531 HG2 GLU 69 1HG GLU 69 -14.829 -5.310 2.456 532 HG3 GLU 69 2HG GLU 69 -15.712 -3.779 2.511 533 H VAL 70 H VAL 70 -12.619 -4.410 3.429 534 HA VAL 70 HA VAL 70 -11.670 -7.109 2.698 535 HB VAL 70 HB VAL 70 -9.790 -6.789 4.358 536 HG11 VAL 70 1HG1 VAL 70 -9.599 -5.014 1.898 537 HG12 VAL 70 2HG1 VAL 70 -8.282 -5.860 2.735 538 HG13 VAL 70 3HG1 VAL 70 -9.536 -6.788 1.879 539 HG21 VAL 70 3HG2 VAL 70 -10.327 -3.819 4.025 540 HG22 VAL 70 1HG2 VAL 70 -10.496 -4.768 5.525 541 HG23 VAL 70 2HG2 VAL 70 -8.905 -4.571 4.772 542 H ASP 71 H ASP 71 -11.680 -8.587 4.442 543 HA ASP 71 HA ASP 71 -13.535 -7.884 6.597 544 HB2 ASP 71 1HB ASP 71 -13.908 -10.052 7.123 545 HB3 ASP 71 2HB ASP 71 -13.949 -10.063 5.389 546 H GLU 72 H GLU 72 -12.893 -8.930 8.596 547 HA GLU 72 HA GLU 72 -10.564 -7.698 9.644 548 HB2 GLU 72 1HB GLU 72 -12.660 -9.545 10.576 549 HB3 GLU 72 2HB GLU 72 -11.194 -9.542 11.560 550 HG2 GLU 72 1HG GLU 72 -12.067 -7.722 12.557 551 HG3 GLU 72 2HG GLU 72 -11.863 -6.924 11.007 552 H GLN 73 H GLN 73 -10.905 -10.948 8.159 553 HA GLN 73 HA GLN 73 -8.389 -11.797 9.332 554 HB2 GLN 73 1HB GLN 73 -10.028 -13.447 8.803 555 HB3 GLN 73 2HB GLN 73 -10.039 -12.972 7.103 556 HG2 GLN 73 1HG GLN 73 -8.753 -15.056 7.473 557 HG3 GLN 73 2HG GLN 73 -7.798 -13.760 6.777 558 HE21 GLN 73 1HE2 GLN 73 -8.552 -14.057 10.293 559 HE22 GLN 73 2HE2 GLN 73 -6.863 -14.241 10.736 560 H MET 74 H MET 74 -9.404 -10.358 6.133 561 HA MET 74 HA MET 74 -6.717 -10.634 5.066 562 HB2 MET 74 1HB MET 74 -8.547 -10.182 3.535 563 HB3 MET 74 2HB MET 74 -8.998 -8.759 4.403 564 HG2 MET 74 1HG MET 74 -7.870 -8.306 2.268 565 HG3 MET 74 2HG MET 74 -7.046 -7.567 3.637 566 HE1 MET 74 3HE MET 74 -5.489 -11.430 1.644 567 HE2 MET 74 1HE MET 74 -6.692 -11.395 2.954 568 HE3 MET 74 2HE MET 74 -7.125 -10.747 1.364 569 H LEU 75 H LEU 75 -8.373 -8.022 6.816 570 HA LEU 75 HA LEU 75 -6.147 -6.253 6.909 571 HB2 LEU 75 1HB LEU 75 -8.699 -6.038 7.675 572 HB3 LEU 75 2HB LEU 75 -8.060 -6.459 9.243 573 HG LEU 75 HG LEU 75 -6.499 -4.510 9.165 574 HD11 LEU 75 1HD1 LEU 75 -8.014 -3.707 6.637 575 HD12 LEU 75 2HD1 LEU 75 -6.297 -4.165 6.687 576 HD13 LEU 75 3HD1 LEU 75 -6.832 -2.713 7.509 577 HD21 LEU 75 3HD2 LEU 75 -8.142 -2.757 9.500 578 HD22 LEU 75 1HD2 LEU 75 -8.706 -4.280 10.212 579 HD23 LEU 75 2HD2 LEU 75 -9.389 -3.710 8.666 580 H ARG 76 H ARG 76 -6.883 -9.016 8.897 581 HA ARG 76 HA ARG 76 -4.673 -8.598 10.808 582 HB2 ARG 76 1HB ARG 76 -6.590 -10.889 10.265 583 HB3 ARG 76 2HB ARG 76 -5.210 -11.086 11.346 584 HG2 ARG 76 1HG ARG 76 -5.908 -9.310 12.771 585 HG3 ARG 76 2HG ARG 76 -7.222 -8.830 11.695 586 HD2 ARG 76 1HD ARG 76 -8.434 -10.866 12.082 587 HD3 ARG 76 2HD ARG 76 -7.037 -11.645 12.831 588 HE ARG 76 HE ARG 76 -8.575 -9.355 13.993 589 HH11 ARG 76 1HH1 ARG 76 -6.599 -12.272 14.518 590 HH12 ARG 76 2HH1 ARG 76 -6.617 -12.148 16.233 591 HH21 ARG 76 1HH2 ARG 76 -8.544 -9.123 16.182 592 HH22 ARG 76 2HH2 ARG 76 -7.779 -10.312 17.213 593 H PHE 77 H PHE 77 -5.108 -10.645 7.883 594 HA PHE 77 HA PHE 77 -2.653 -12.038 8.133 595 HB2 PHE 77 1HB PHE 77 -4.271 -12.838 6.548 596 HB3 PHE 77 2HB PHE 77 -4.423 -11.263 5.776 597 HD1 PHE 77 2HD PHE 77 -1.986 -14.048 6.353 598 HD2 PHE 77 1HD PHE 77 -3.033 -10.614 3.984 599 HE1 PHE 77 2HE PHE 77 -0.044 -14.493 4.881 600 HE2 PHE 77 1HE PHE 77 -1.023 -10.983 2.574 601 HZ PHE 77 HZ PHE 77 0.463 -12.947 3.004 602 H LEU 78 H LEU 78 -3.461 -8.965 6.430 603 HA LEU 78 HA LEU 78 -0.736 -8.396 5.721 604 HB2 LEU 78 1HB LEU 78 -2.983 -6.432 6.267 605 HB3 LEU 78 2HB LEU 78 -1.476 -6.081 5.421 606 HG LEU 78 HG LEU 78 -3.630 -8.003 4.457 607 HD11 LEU 78 1HD1 LEU 78 -4.360 -5.687 4.385 608 HD12 LEU 78 2HD1 LEU 78 -4.042 -6.263 2.747 609 HD13 LEU 78 3HD1 LEU 78 -2.867 -5.206 3.547 610 HD21 LEU 78 3HD2 LEU 78 -2.467 -8.129 2.346 611 HD22 LEU 78 1HD2 LEU 78 -1.432 -8.729 3.634 612 HD23 LEU 78 2HD2 LEU 78 -1.142 -7.106 2.972 613 H ASP 79 H ASP 79 -2.387 -8.186 8.794 614 HA ASP 79 HA ASP 79 -0.466 -6.407 10.008 615 HB2 ASP 79 1HB ASP 79 -2.971 -6.835 10.556 616 HB3 ASP 79 2HB ASP 79 -2.371 -8.119 11.581 617 H ASP 80 H ASP 80 0.049 -9.280 8.884 618 HA ASP 80 HA ASP 80 2.073 -10.034 10.938 619 HB2 ASP 80 1HB ASP 80 -0.098 -11.365 11.186 620 HB3 ASP 80 2HB ASP 80 0.191 -12.025 9.580 621 H PHE 81 H PHE 81 0.919 -10.292 7.613 622 HA PHE 81 HA PHE 81 3.298 -11.448 6.519 623 HB2 PHE 81 1HB PHE 81 1.146 -11.472 5.394 624 HB3 PHE 81 2HB PHE 81 1.082 -9.714 5.376 625 HD1 PHE 81 1HD PHE 81 3.719 -12.244 4.364 626 HD2 PHE 81 2HD PHE 81 1.292 -8.858 3.229 627 HE1 PHE 81 1HE PHE 81 4.856 -12.152 2.164 628 HE2 PHE 81 2HE PHE 81 2.402 -8.808 1.014 629 HZ PHE 81 HZ PHE 81 4.175 -10.473 0.483 630 H GLU 82 H GLU 82 2.385 -8.098 7.373 631 HA GLU 82 HA GLU 82 4.616 -7.006 5.816 632 HB2 GLU 82 1HB GLU 82 2.539 -5.550 7.470 633 HB3 GLU 82 2HB GLU 82 3.620 -4.848 6.287 634 HG2 GLU 82 1HG GLU 82 1.591 -6.979 5.446 635 HG3 GLU 82 2HG GLU 82 1.201 -5.268 5.562 636 H ASP 83 H ASP 83 4.666 -8.467 8.679 637 HA ASP 83 HA ASP 83 5.828 -8.422 10.574 638 HB2 ASP 83 1HB ASP 83 7.750 -8.131 8.726 639 HB3 ASP 83 2HB ASP 83 7.857 -6.555 9.446 640 H CYS 84 H CYS 84 3.959 -6.059 10.013 641 HA CYS 84 HA CYS 84 4.887 -3.912 11.730 642 HB2 CYS 84 1HB CYS 84 2.327 -3.506 11.840 643 HB3 CYS 84 2HB CYS 84 3.117 -3.347 10.255 644 HG CYS 84 HG CYS 84 1.716 -6.088 11.470 645 HA PRO 85 HA PRO 85 3.720 -2.673 13.554 646 HB2 PRO 85 1HB PRO 85 4.526 -2.141 16.083 647 HB3 PRO 85 2HB PRO 85 2.852 -2.636 15.675 648 HG2 PRO 85 1HG PRO 85 5.115 -4.374 16.720 649 HG3 PRO 85 2HG PRO 85 3.424 -4.290 17.308 650 HD2 PRO 85 1HD PRO 85 4.272 -6.201 15.542 651 HD3 PRO 85 2HD PRO 85 2.625 -5.507 15.460 652 H SER 86 H SER 86 6.375 -4.894 13.906 653 HA SER 86 HA SER 86 8.488 -3.222 14.690 654 HB2 SER 86 1HB SER 86 8.635 -5.605 12.840 655 HB3 SER 86 2HB SER 86 9.882 -4.993 13.941 656 HG SER 86 HG SER 86 8.639 -6.773 14.814 657 H MET 87 H MET 87 7.678 -4.358 11.379 658 HA MET 87 HA MET 87 9.497 -2.431 10.192 659 HB2 MET 87 1HB MET 87 7.488 -4.422 9.129 660 HB3 MET 87 2HB MET 87 8.260 -3.245 8.100 661 HG2 MET 87 1HG MET 87 10.464 -4.088 8.767 662 HG3 MET 87 2HG MET 87 9.727 -5.303 9.768 663 HE1 MET 87 3HE MET 87 8.997 -5.437 5.159 664 HE2 MET 87 1HE MET 87 7.865 -4.711 6.316 665 HE3 MET 87 2HE MET 87 9.445 -3.938 6.005 666 H TYR 88 H TYR 88 5.997 -2.820 9.506 667 HA TYR 88 HA TYR 88 5.753 0.122 9.134 668 HB2 TYR 88 1HB TYR 88 3.956 -2.234 8.386 669 HB3 TYR 88 2HB TYR 88 3.571 -0.553 8.082 670 HD1 TYR 88 2HD TYR 88 4.987 0.847 6.536 671 HD2 TYR 88 1HD TYR 88 5.380 -3.432 6.865 672 HE1 TYR 88 2HE TYR 88 6.231 0.823 4.402 673 HE2 TYR 88 1HE TYR 88 6.605 -3.485 4.710 674 HH TYR 88 HH TYR 88 7.320 -2.187 2.818 675 H GLN 89 H GLN 89 3.463 0.935 9.784 676 HA GLN 89 HA GLN 89 2.225 -0.463 12.083 677 HB2 GLN 89 1HB GLN 89 2.599 2.564 11.877 678 HB3 GLN 89 2HB GLN 89 1.704 1.696 13.108 679 HG2 GLN 89 1HG GLN 89 3.626 2.004 14.273 680 HG3 GLN 89 2HG GLN 89 4.046 0.476 13.534 681 HE21 GLN 89 1HE2 GLN 89 6.110 0.475 12.611 682 HE22 GLN 89 2HE2 GLN 89 6.994 1.906 12.134 683 H ARG 90 H ARG 90 -0.132 -0.244 11.969 684 HA ARG 90 HA ARG 90 -1.095 0.461 9.244 685 HB2 ARG 90 1HB ARG 90 -1.981 -1.583 10.224 686 HB3 ARG 90 2HB ARG 90 -2.529 -0.727 11.652 687 HG2 ARG 90 1HG ARG 90 -3.518 0.105 8.886 688 HG3 ARG 90 2HG ARG 90 -4.191 -1.329 9.618 689 HD2 ARG 90 1HD ARG 90 -4.437 1.477 10.704 690 HD3 ARG 90 2HD ARG 90 -5.681 0.397 10.060 691 HE ARG 90 HE ARG 90 -4.437 -0.943 12.204 692 HH11 ARG 90 1HH1 ARG 90 -6.865 1.518 11.504 693 HH12 ARG 90 2HH1 ARG 90 -7.470 1.527 13.148 694 HH21 ARG 90 1HH2 ARG 90 -5.278 -0.828 14.437 695 HH22 ARG 90 2HH2 ARG 90 -6.622 0.246 14.723 696 H THR 91 H THR 91 -2.091 2.391 8.806 697 HA THR 91 HA THR 91 -2.875 4.155 11.056 698 HB THR 91 HB THR 91 -1.257 4.970 8.621 699 HG1 THR 91 1HG THR 91 0.495 4.472 9.724 700 HG21 THR 91 3HG2 THR 91 -0.543 6.868 10.076 701 HG22 THR 91 1HG2 THR 91 -1.741 6.377 11.280 702 HG23 THR 91 2HG2 THR 91 -2.252 6.907 9.647 703 H ALA 92 H ALA 92 -4.076 6.104 10.121 704 HA ALA 92 HA ALA 92 -5.914 5.353 7.899 705 HB1 ALA 92 1HB ALA 92 -7.338 7.167 8.994 706 HB2 ALA 92 2HB ALA 92 -7.129 5.673 9.951 707 HB3 ALA 92 3HB ALA 92 -6.209 7.147 10.347 708 H LEU 93 H LEU 93 -5.968 6.664 6.144 709 HA LEU 93 HA LEU 93 -4.949 9.443 6.273 710 HB2 LEU 93 1HB LEU 93 -3.448 9.233 4.530 711 HB3 LEU 93 2HB LEU 93 -3.110 7.895 5.579 712 HG LEU 93 HG LEU 93 -2.888 6.943 3.482 713 HD11 LEU 93 1HD1 LEU 93 -4.787 5.524 2.873 714 HD12 LEU 93 2HD1 LEU 93 -5.824 6.359 3.990 715 HD13 LEU 93 3HD1 LEU 93 -4.442 5.454 4.624 716 HD21 LEU 93 3HD2 LEU 93 -3.897 7.475 1.532 717 HD22 LEU 93 1HD2 LEU 93 -3.839 9.036 2.367 718 HD23 LEU 93 2HD2 LEU 93 -5.328 8.140 2.333 719 H GLN 94 H GLN 94 -5.323 10.570 4.062 720 HA GLN 94 HA GLN 94 -8.175 10.163 3.336 721 HB2 GLN 94 1HB GLN 94 -7.368 12.405 4.100 722 HB3 GLN 94 2HB GLN 94 -6.236 12.430 2.746 723 HG2 GLN 94 1HG GLN 94 -7.924 13.754 1.952 724 HG3 GLN 94 2HG GLN 94 -8.356 12.225 1.212 725 HE21 GLN 94 1HE2 GLN 94 -10.057 10.826 2.852 726 HE22 GLN 94 2HE2 GLN 94 -11.172 11.891 3.689 727 H VAL 95 H VAL 95 -8.827 9.333 1.365 728 HA VAL 95 HA VAL 95 -6.862 9.078 -0.845 729 HB VAL 95 HB VAL 95 -8.859 7.018 0.171 730 HG11 VAL 95 1HG1 VAL 95 -7.964 5.492 -1.470 731 HG12 VAL 95 2HG1 VAL 95 -8.546 6.931 -2.300 732 HG13 VAL 95 3HG1 VAL 95 -6.796 6.713 -2.046 733 HG21 VAL 95 3HG2 VAL 95 -5.826 7.062 0.353 734 HG22 VAL 95 1HG2 VAL 95 -7.010 7.003 1.693 735 HG23 VAL 95 2HG2 VAL 95 -6.819 5.627 0.628 736 H GLN 96 H GLN 96 -7.724 9.940 -2.753 737 HA GLN 96 HA GLN 96 -10.424 10.965 -2.882 738 HB2 GLN 96 1HB GLN 96 -8.857 12.252 -4.072 739 HB3 GLN 96 2HB GLN 96 -8.063 10.806 -4.815 740 HG2 GLN 96 1HG GLN 96 -10.351 10.390 -5.973 741 HG3 GLN 96 2HG GLN 96 -10.843 11.980 -5.397 742 HE21 GLN 96 1HE2 GLN 96 -11.276 12.248 -7.719 743 HE22 GLN 96 2HE2 GLN 96 -9.934 12.768 -8.743 744 H VAL 97 H VAL 97 -12.000 9.812 -3.574 745 HA VAL 97 HA VAL 97 -11.703 7.034 -4.472 746 HB VAL 97 HB VAL 97 -13.488 7.889 -2.892 747 HG11 VAL 97 1HG1 VAL 97 -15.341 9.087 -3.827 748 HG12 VAL 97 2HG1 VAL 97 -13.897 9.708 -2.976 749 HG13 VAL 97 3HG1 VAL 97 -14.023 9.841 -4.755 750 HG21 VAL 97 3HG2 VAL 97 -13.839 5.849 -4.392 751 HG22 VAL 97 1HG2 VAL 97 -15.268 6.680 -3.739 752 HG23 VAL 97 2HG2 VAL 97 -14.783 6.945 -5.441 753 H LEU 98 H LEU 98 -11.204 6.656 -6.530 754 HA LEU 98 HA LEU 98 -11.774 8.651 -8.673 755 HB2 LEU 98 1HB LEU 98 -9.821 6.405 -8.347 756 HB3 LEU 98 2HB LEU 98 -10.609 6.484 -9.918 757 HG LEU 98 HG LEU 98 -8.641 7.602 -10.209 758 HD11 LEU 98 1HD1 LEU 98 -10.685 8.886 -11.024 759 HD12 LEU 98 2HD1 LEU 98 -9.188 9.816 -10.865 760 HD13 LEU 98 3HD1 LEU 98 -10.440 9.982 -9.641 761 HD21 LEU 98 3HD2 LEU 98 -7.880 7.814 -7.966 762 HD22 LEU 98 1HD2 LEU 98 -9.095 9.076 -7.607 763 HD23 LEU 98 2HD2 LEU 98 -7.755 9.374 -8.742 764 H GLU 99 H GLU 99 -12.969 5.652 -7.252 765 HA GLU 99 HA GLU 99 -15.357 5.893 -8.804 766 HB2 GLU 99 1HB GLU 99 -13.733 4.543 -10.252 767 HB3 GLU 99 2HB GLU 99 -13.781 3.280 -9.023 768 HG2 GLU 99 1HG GLU 99 -16.101 2.862 -9.476 769 HG3 GLU 99 2HG GLU 99 -16.248 4.334 -10.453 770 H TRP 100 H TRP 100 -16.991 4.887 -7.600 771 HA TRP 100 HA TRP 100 -16.230 3.499 -5.072 772 HB2 TRP 100 1HB TRP 100 -16.993 5.850 -4.590 773 HB3 TRP 100 2HB TRP 100 -18.523 5.479 -5.335 774 HD1 TRP 100 HD TRP 100 -20.307 4.384 -3.652 775 HE1 TRP 100 1HE TRP 100 -20.209 3.164 -1.427 776 HE3 TRP 100 3HE TRP 100 -15.247 4.498 -2.883 777 HZ2 TRP 100 2HZ TRP 100 -18.202 2.310 0.465 778 HZ3 TRP 100 3HZ TRP 100 -14.264 3.474 -0.851 779 HH2 TRP 100 HH TRP 100 -15.730 2.356 0.819 780 H GLU 101 H GLU 101 -17.028 1.505 -5.193 781 HA GLU 101 HA GLU 101 -19.403 1.008 -6.922 782 HB2 GLU 101 1HB GLU 101 -17.278 -0.893 -5.885 783 HB3 GLU 101 2HB GLU 101 -18.666 -1.350 -6.881 784 HG2 GLU 101 1HG GLU 101 -16.474 0.608 -7.708 785 HG3 GLU 101 2HG GLU 101 -16.539 -1.075 -8.172 786 H GLY 102 H GLY 102 -21.232 1.146 -5.864 787 HA2 GLY 102 2HA GLY 102 -22.851 -0.155 -4.699 788 HA3 GLY 102 1HA GLY 102 -21.647 -0.608 -3.496 789 H ASP 103 H ASP 103 -23.372 0.040 -2.043 790 HA ASP 103 HA ASP 103 -24.172 2.822 -1.787 791 HB2 ASP 103 1HB ASP 103 -25.574 0.795 -1.208 792 HB3 ASP 103 2HB ASP 103 -24.492 0.520 0.159 793 H GLY 104 H GLY 104 -23.773 3.920 0.390 794 HA2 GLY 104 2HA GLY 104 -22.543 4.420 2.290 795 HA3 GLY 104 1HA GLY 104 -21.486 3.029 2.002 796 H ASP 105 H ASP 105 -22.379 5.920 0.206 797 HA ASP 105 HA ASP 105 -19.933 6.347 -1.089 798 HB2 ASP 105 1HB ASP 105 -21.900 6.565 -2.358 799 HB3 ASP 105 2HB ASP 105 -22.655 7.632 -1.164 800 HA PRO 106 HA PRO 106 -18.911 9.174 2.403 801 HB2 PRO 106 1HB PRO 106 -16.215 9.269 2.054 802 HB3 PRO 106 2HB PRO 106 -17.053 7.846 2.729 803 HG2 PRO 106 1HG PRO 106 -16.197 8.275 -0.154 804 HG3 PRO 106 2HG PRO 106 -15.880 6.861 0.905 805 HD2 PRO 106 1HD PRO 106 -17.944 6.839 -0.795 806 HD3 PRO 106 2HD PRO 106 -18.061 6.136 0.828 807 H GLY 107 H GLY 107 -18.891 9.883 -1.005 808 HA2 GLY 107 2HA GLY 107 -18.810 12.009 -2.004 809 HA3 GLY 107 1HA GLY 107 -17.968 12.666 -0.582 810 H ASP 108 H ASP 108 -16.684 13.301 -2.739 811 HA ASP 108 HA ASP 108 -15.088 11.311 -3.952 812 HB2 ASP 108 1HB ASP 108 -14.284 14.254 -3.797 813 HB3 ASP 108 2HB ASP 108 -13.984 13.153 -5.134 814 H SER 109 H SER 109 -14.524 12.120 -0.968 815 HA SER 109 HA SER 109 -12.080 10.624 -1.475 816 HB2 SER 109 1HB SER 109 -11.843 13.260 -0.636 817 HB3 SER 109 2HB SER 109 -11.662 12.298 0.831 818 HG SER 109 HG SER 109 -10.040 12.926 -1.166 819 H VAL 110 H VAL 110 -11.492 9.315 0.199 820 HA VAL 110 HA VAL 110 -13.471 8.782 2.372 821 HB VAL 110 HB VAL 110 -13.729 7.278 0.435 822 HG11 VAL 110 1HG1 VAL 110 -10.937 6.296 1.057 823 HG12 VAL 110 2HG1 VAL 110 -12.107 5.460 0.018 824 HG13 VAL 110 3HG1 VAL 110 -11.506 7.051 -0.451 825 HG21 VAL 110 3HG2 VAL 110 -14.331 6.528 2.738 826 HG22 VAL 110 1HG2 VAL 110 -13.911 5.210 1.635 827 HG23 VAL 110 2HG2 VAL 110 -12.747 5.731 2.856 828 H GLN 111 H GLN 111 -12.527 7.596 4.228 829 HA GLN 111 HA GLN 111 -9.645 8.100 4.658 830 HB2 GLN 111 1HB GLN 111 -11.225 9.139 6.238 831 HB3 GLN 111 2HB GLN 111 -11.861 7.563 6.681 832 HG2 GLN 111 1HG GLN 111 -8.882 8.104 6.944 833 HG3 GLN 111 2HG GLN 111 -9.998 8.804 8.106 834 HE21 GLN 111 1HE2 GLN 111 -8.660 5.659 6.962 835 HE22 GLN 111 2HE2 GLN 111 -9.358 4.755 8.286 836 H CYS 112 H CYS 112 -8.581 6.345 3.929 837 HA CYS 112 HA CYS 112 -9.708 3.604 4.419 838 HB2 CYS 112 1HB CYS 112 -7.563 4.629 2.513 839 HB3 CYS 112 2HB CYS 112 -7.791 2.921 2.881 840 HG CYS 112 HG CYS 112 -9.112 2.862 0.828 841 H PHE 113 H PHE 113 -8.074 1.959 5.119 842 HA PHE 113 HA PHE 113 -5.961 3.088 6.862 843 HB2 PHE 113 1HB PHE 113 -6.899 0.217 6.659 844 HB3 PHE 113 2HB PHE 113 -5.685 0.809 7.745 845 HD1 PHE 113 1HD PHE 113 -6.364 2.744 9.355 846 HD2 PHE 113 2HD PHE 113 -9.154 0.139 7.380 847 HE1 PHE 113 1HE PHE 113 -8.183 3.515 10.906 848 HE2 PHE 113 2HE PHE 113 -10.952 0.860 8.962 849 HZ PHE 113 HZ PHE 113 -10.463 2.566 10.698 850 H VAL 114 H VAL 114 -3.810 2.449 6.583 851 HA VAL 114 HA VAL 114 -2.858 1.072 4.189 852 HB VAL 114 HB VAL 114 -2.494 4.040 4.817 853 HG11 VAL 114 1HG1 VAL 114 -0.736 4.114 3.017 854 HG12 VAL 114 2HG1 VAL 114 -0.216 3.375 4.517 855 HG13 VAL 114 3HG1 VAL 114 -0.601 2.350 3.139 856 HG21 VAL 114 3HG2 VAL 114 -2.925 4.278 2.386 857 HG22 VAL 114 1HG2 VAL 114 -3.047 2.519 2.226 858 HG23 VAL 114 2HG2 VAL 114 -4.246 3.401 3.172 859 H TYR 115 H TYR 115 -0.556 0.498 4.531 860 HA TYR 115 HA TYR 115 0.314 0.580 7.361 861 HB2 TYR 115 1HB TYR 115 1.076 -1.088 4.962 862 HB3 TYR 115 2HB TYR 115 2.243 -0.827 6.252 863 HD1 TYR 115 2HD TYR 115 1.544 -1.264 8.680 864 HD2 TYR 115 1HD TYR 115 -0.691 -2.721 5.290 865 HE1 TYR 115 2HE TYR 115 0.304 -2.785 10.174 866 HE2 TYR 115 1HE TYR 115 -1.931 -4.252 6.784 867 HH TYR 115 HH TYR 115 -1.291 -4.524 10.300 868 H THR 116 H THR 116 1.783 2.044 8.003 869 HA THR 116 HA THR 116 3.385 3.493 5.980 870 HB THR 116 HB THR 116 2.960 5.573 7.254 871 HG1 THR 116 1HG THR 116 2.461 4.741 9.305 872 HG21 THR 116 3HG2 THR 116 0.677 6.000 6.617 873 HG22 THR 116 1HG2 THR 116 0.288 4.273 6.585 874 HG23 THR 116 2HG2 THR 116 1.417 4.957 5.388 875 H THR 117 H THR 117 5.073 4.918 7.441 876 HA THR 117 HA THR 117 5.737 3.527 9.937 877 HB THR 117 HB THR 117 7.290 2.396 8.628 878 HG1 THR 117 1HG THR 117 9.259 3.263 9.223 879 HG21 THR 117 3HG2 THR 117 7.064 3.498 6.485 880 HG22 THR 117 1HG2 THR 117 8.775 3.484 6.936 881 HG23 THR 117 2HG2 THR 117 7.826 4.977 7.118 882 H ALA 118 H ALA 118 6.338 4.906 11.487 883 HA ALA 118 HA ALA 118 6.666 7.805 10.835 884 HB1 ALA 118 1HB ALA 118 5.642 6.444 13.363 885 HB2 ALA 118 2HB ALA 118 5.887 8.192 13.153 886 HB3 ALA 118 3HB ALA 118 4.673 7.350 12.173 887 H THR 119 H THR 119 8.399 5.025 11.597 888 HA THR 119 HA THR 119 10.099 6.205 13.677 889 HB THR 119 HB THR 119 10.552 3.688 13.982 890 HG1 THR 119 1HG THR 119 9.886 2.746 12.173 891 HG21 THR 119 3HG2 THR 119 7.643 4.573 14.195 892 HG22 THR 119 1HG2 THR 119 8.924 4.982 15.360 893 HG23 THR 119 2HG2 THR 119 8.446 3.292 15.124 894 H TYR 120 H TYR 120 10.360 6.736 10.732 895 HA TYR 120 HA TYR 120 12.377 5.072 9.653 896 HB2 TYR 120 1HB TYR 120 12.330 6.884 7.816 897 HB3 TYR 120 2HB TYR 120 10.812 6.079 8.184 898 HD1 TYR 120 2HD TYR 120 12.697 9.278 8.557 899 HD2 TYR 120 1HD TYR 120 8.921 7.268 9.126 900 HE1 TYR 120 2HE TYR 120 11.668 11.409 9.330 901 HE2 TYR 120 1HE TYR 120 7.868 9.404 9.752 902 HH TYR 120 HH TYR 120 8.311 11.683 10.440 903 H ALA 121 H ALA 121 14.455 5.785 8.826 904 HA ALA 121 HA ALA 121 15.994 7.573 10.571 905 HB1 ALA 121 1HB ALA 121 16.813 5.977 8.109 906 HB2 ALA 121 2HB ALA 121 17.882 6.705 9.331 907 HB3 ALA 121 3HB ALA 121 16.845 5.361 9.779 908 HA PRO 122 HA PRO 122 15.361 11.113 8.095 909 HB2 PRO 122 1HB PRO 122 17.736 12.523 8.164 910 HB3 PRO 122 2HB PRO 122 16.643 12.320 9.566 911 HG2 PRO 122 1HG PRO 122 19.085 10.668 8.899 912 HG3 PRO 122 2HG PRO 122 18.669 11.452 10.461 913 HD2 PRO 122 1HD PRO 122 18.109 8.855 10.005 914 HD3 PRO 122 2HD PRO 122 16.938 9.900 10.865 915 H GLU 123 H GLU 123 18.091 9.117 7.110 916 HA GLU 123 HA GLU 123 18.744 10.262 4.660 917 HB2 GLU 123 1HB GLU 123 19.271 7.882 3.931 918 HB3 GLU 123 2HB GLU 123 20.170 8.569 5.257 919 HG2 GLU 123 1HG GLU 123 17.709 6.992 6.002 920 HG3 GLU 123 2HG GLU 123 19.052 6.107 5.298 921 H TRP 124 H TRP 124 15.831 8.483 5.487 922 HA TRP 124 HA TRP 124 15.184 7.906 2.731 923 HB2 TRP 124 1HB TRP 124 13.714 7.645 5.372 924 HB3 TRP 124 2HB TRP 124 13.025 7.157 3.848 925 HD1 TRP 124 HD TRP 124 16.613 6.214 3.690 926 HE1 TRP 124 1HE TRP 124 16.866 3.676 4.043 927 HE3 TRP 124 3HE TRP 124 11.995 5.202 5.599 928 HZ2 TRP 124 2HZ TRP 124 15.332 1.534 5.177 929 HZ3 TRP 124 3HZ TRP 124 11.426 2.901 6.361 930 HH2 TRP 124 HH TRP 124 13.093 1.070 6.176 931 H LEU 125 H LEU 125 14.941 10.763 4.636 932 HA LEU 125 HA LEU 125 12.698 11.826 3.019 933 HB2 LEU 125 1HB LEU 125 14.443 12.997 5.226 934 HB3 LEU 125 2HB LEU 125 13.405 13.992 4.245 935 HG LEU 125 HG LEU 125 12.327 13.538 6.280 936 HD11 LEU 125 1HD1 LEU 125 10.171 12.793 5.529 937 HD12 LEU 125 2HD1 LEU 125 10.871 11.895 4.177 938 HD13 LEU 125 3HD1 LEU 125 10.921 13.683 4.194 939 HD21 LEU 125 3HD2 LEU 125 12.355 10.576 5.605 940 HD22 LEU 125 1HD2 LEU 125 11.567 11.359 6.966 941 HD23 LEU 125 2HD2 LEU 125 13.344 11.370 6.850 942 H PHE 126 H PHE 126 16.140 11.544 2.744 943 HA PHE 126 HA PHE 126 16.318 13.783 0.822 944 HB2 PHE 126 1HB PHE 126 18.400 11.641 1.224 945 HB3 PHE 126 2HB PHE 126 18.613 13.284 0.642 946 HD1 PHE 126 2HD PHE 126 17.297 14.952 2.711 947 HD2 PHE 126 1HD PHE 126 19.740 11.436 3.111 948 HE1 PHE 126 2HE PHE 126 17.785 15.566 5.058 949 HE2 PHE 126 1HE PHE 126 20.204 12.036 5.476 950 HZ PHE 126 HZ PHE 126 19.226 14.073 6.459 951 H LEU 127 H LEU 127 15.136 10.606 0.717 952 HA LEU 127 HA LEU 127 16.082 9.789 -1.887 953 HB2 LEU 127 1HB LEU 127 13.833 8.859 -0.057 954 HB3 LEU 127 2HB LEU 127 14.135 8.093 -1.594 955 HG LEU 127 HG LEU 127 16.127 8.223 0.700 956 HD11 LEU 127 1HD1 LEU 127 15.654 5.835 0.981 957 HD12 LEU 127 2HD1 LEU 127 14.499 5.876 -0.365 958 HD13 LEU 127 3HD1 LEU 127 14.145 6.758 1.129 959 HD21 LEU 127 3HD2 LEU 127 17.395 6.528 -0.589 960 HD22 LEU 127 1HD2 LEU 127 17.334 8.068 -1.435 961 HD23 LEU 127 2HD2 LEU 127 16.279 6.727 -1.957 962 HA PRO 128 HA PRO 128 13.011 11.785 -4.409 963 HB2 PRO 128 1HB PRO 128 12.767 10.122 -6.541 964 HB3 PRO 128 2HB PRO 128 14.318 10.950 -6.179 965 HG2 PRO 128 1HG PRO 128 13.494 8.138 -5.339 966 HG3 PRO 128 2HG PRO 128 14.967 8.627 -6.224 967 HD2 PRO 128 1HD PRO 128 15.026 8.326 -3.559 968 HD3 PRO 128 2HD PRO 128 15.879 9.701 -4.314 969 H TYR 129 H TYR 129 10.828 11.750 -5.034 970 HA TYR 129 HA TYR 129 9.165 9.630 -3.834 971 HB2 TYR 129 1HB TYR 129 8.611 12.468 -4.667 972 HB3 TYR 129 2HB TYR 129 7.425 11.417 -3.911 973 HD1 TYR 129 2HD TYR 129 9.457 10.205 -1.839 974 HD2 TYR 129 1HD TYR 129 8.572 14.234 -3.075 975 HE1 TYR 129 2HE TYR 129 10.217 11.035 0.339 976 HE2 TYR 129 1HE TYR 129 9.115 15.047 -0.835 977 HH TYR 129 HH TYR 129 10.167 12.787 1.775 978 H HIS 130 H HIS 130 7.374 8.795 -4.882 979 HA HIS 130 HA HIS 130 7.224 9.111 -7.851 980 HB2 HIS 130 1HB HIS 130 7.334 6.509 -6.259 981 HB3 HIS 130 2HB HIS 130 7.081 6.642 -7.997 982 HD1 HIS 130 1HD HIS 130 9.269 7.261 -9.516 983 HD2 HIS 130 2HD HIS 130 9.882 6.977 -5.341 984 HE1 HIS 130 1HE HIS 130 11.740 7.215 -9.163 985 H GLU 131 H GLU 131 5.198 8.029 -8.747 986 HA GLU 131 HA GLU 131 2.927 8.820 -7.010 987 HB2 GLU 131 1HB GLU 131 3.639 9.153 -9.901 988 HB3 GLU 131 2HB GLU 131 1.914 8.992 -9.489 989 HG2 GLU 131 1HG GLU 131 2.082 10.819 -7.880 990 HG3 GLU 131 2HG GLU 131 3.818 10.998 -8.245 991 H SER 132 H SER 132 4.336 6.082 -8.368 992 HA SER 132 HA SER 132 2.198 4.451 -7.419 993 HB2 SER 132 1HB SER 132 1.708 3.208 -9.420 994 HB3 SER 132 2HB SER 132 1.420 4.903 -9.748 995 HG SER 132 HG SER 132 3.115 3.130 -10.880 996 H TYR 133 H TYR 133 3.002 1.984 -7.768 997 HA TYR 133 HA TYR 133 5.946 1.798 -7.863 998 HB2 TYR 133 1HB TYR 133 5.646 2.038 -5.520 999 HB3 TYR 133 2HB TYR 133 4.250 0.997 -5.477 1000 HD1 TYR 133 1HD TYR 133 7.929 0.954 -6.306 1001 HD2 TYR 133 2HD TYR 133 4.510 -1.267 -4.885 1002 HE1 TYR 133 1HE TYR 133 9.401 -0.949 -5.767 1003 HE2 TYR 133 2HE TYR 133 6.002 -3.161 -4.284 1004 HH TYR 133 HH TYR 133 8.496 -3.549 -3.759 1005 H ASP 134 H ASP 134 6.190 0.505 -9.563 1006 HA ASP 134 HA ASP 134 4.397 -1.845 -9.940 1007 HB2 ASP 134 1HB ASP 134 5.201 0.184 -12.067 1008 HB3 ASP 134 2HB ASP 134 4.252 -1.253 -12.330 1009 H SER 135 H SER 135 5.662 -3.603 -10.165 1010 HA SER 135 HA SER 135 8.433 -3.638 -10.484 1011 HB2 SER 135 1HB SER 135 6.877 -5.439 -9.628 1012 HB3 SER 135 2HB SER 135 6.434 -5.792 -11.300 1013 HG SER 135 HG SER 135 8.453 -6.670 -9.864 1014 H GLU 136 H GLU 136 5.836 -3.505 -12.905 1015 HA GLU 136 HA GLU 136 7.362 -4.146 -15.209 1016 HB2 GLU 136 1HB GLU 136 4.956 -2.318 -14.781 1017 HB3 GLU 136 2HB GLU 136 5.572 -2.728 -16.386 1018 HG2 GLU 136 1HG GLU 136 4.607 -4.740 -14.329 1019 HG3 GLU 136 2HG GLU 136 3.648 -4.154 -15.675 1020 H GLY 137 H GLY 137 7.727 -1.295 -13.188 1021 HA2 GLY 137 2HA GLY 137 7.966 0.566 -15.320 1022 HA3 GLY 137 1HA GLY 137 8.471 0.819 -13.638 1023 HA PRO 138 HA PRO 138 12.050 0.046 -16.765 1024 HB2 PRO 138 1HB PRO 138 12.875 2.638 -17.375 1025 HB3 PRO 138 2HB PRO 138 11.786 1.622 -18.358 1026 HG2 PRO 138 1HG PRO 138 11.063 3.783 -16.395 1027 HG3 PRO 138 2HG PRO 138 10.368 3.466 -17.995 1028 HD2 PRO 138 1HD PRO 138 9.117 2.629 -15.722 1029 HD3 PRO 138 2HD PRO 138 9.098 1.632 -17.196 1030 H HIS 139 H HIS 139 11.699 1.773 -13.788 1031 HA HIS 139 HA HIS 139 14.077 2.699 -13.183 1032 HB2 HIS 139 1HB HIS 139 12.831 0.768 -11.222 1033 HB3 HIS 139 2HB HIS 139 13.827 2.185 -10.881 1034 HD1 HIS 139 1HD HIS 139 12.518 4.520 -10.636 1035 HD2 HIS 139 2HD HIS 139 10.237 1.094 -11.607 1036 HE1 HIS 139 1HE HIS 139 10.069 5.143 -10.306 1037 H GLY 140 H GLY 140 13.397 -0.748 -13.044 1038 HA2 GLY 140 2HA GLY 140 14.857 -2.585 -13.165 1039 HA3 GLY 140 1HA GLY 140 16.251 -1.524 -13.055 1040 H LEU 141 H LEU 141 14.191 -0.551 -10.590 1041 HA LEU 141 HA LEU 141 15.382 -2.427 -8.628 1042 HB2 LEU 141 1HB LEU 141 14.601 -0.618 -6.934 1043 HB3 LEU 141 2HB LEU 141 16.109 -0.488 -7.818 1044 HG LEU 141 HG LEU 141 15.043 1.193 -9.325 1045 HD11 LEU 141 1HD1 LEU 141 12.637 0.730 -9.029 1046 HD12 LEU 141 2HD1 LEU 141 12.995 2.359 -8.492 1047 HD13 LEU 141 3HD1 LEU 141 12.755 1.053 -7.304 1048 HD21 LEU 141 3HD2 LEU 141 16.433 1.813 -7.381 1049 HD22 LEU 141 1HD2 LEU 141 15.000 1.824 -6.340 1050 HD23 LEU 141 2HD2 LEU 141 15.156 3.001 -7.664 1051 H ARG 142 H ARG 142 14.016 -4.162 -8.684 1052 HA ARG 142 HA ARG 142 11.166 -3.583 -7.983 1053 HB2 ARG 142 1HB ARG 142 12.270 -5.940 -9.592 1054 HB3 ARG 142 2HB ARG 142 10.595 -5.677 -9.140 1055 HG2 ARG 142 1HG ARG 142 10.545 -4.968 -11.282 1056 HG3 ARG 142 2HG ARG 142 10.790 -3.428 -10.455 1057 HD2 ARG 142 1HD ARG 142 13.147 -3.467 -11.034 1058 HD3 ARG 142 2HD ARG 142 13.023 -5.078 -11.730 1059 HE ARG 142 HE ARG 142 12.245 -2.538 -12.978 1060 HH11 ARG 142 1HH1 ARG 142 11.522 -5.979 -12.932 1061 HH12 ARG 142 2HH1 ARG 142 10.441 -5.858 -14.221 1062 HH21 ARG 142 1HH2 ARG 142 11.186 -2.528 -14.988 1063 HH22 ARG 142 2HH2 ARG 142 10.723 -3.982 -15.784 1064 H TYR 143 H TYR 143 10.088 -5.421 -6.814 1065 HA TYR 143 HA TYR 143 11.542 -5.690 -4.348 1066 HB2 TYR 143 1HB TYR 143 9.000 -5.590 -4.511 1067 HB3 TYR 143 2HB TYR 143 9.030 -7.178 -5.220 1068 HD1 TYR 143 2HD TYR 143 11.097 -6.020 -2.214 1069 HD2 TYR 143 1HD TYR 143 7.602 -8.182 -3.594 1070 HE1 TYR 143 2HE TYR 143 10.913 -7.109 -0.044 1071 HE2 TYR 143 1HE TYR 143 7.250 -9.025 -1.322 1072 HH TYR 143 HH TYR 143 7.942 -8.572 0.983 1073 H ASN 144 H ASN 144 12.557 -7.503 -3.414 1074 HA ASN 144 HA ASN 144 12.713 -9.991 -5.093 1075 HB2 ASN 144 1HB ASN 144 14.882 -8.507 -3.546 1076 HB3 ASN 144 2HB ASN 144 15.035 -10.196 -3.979 1077 HD21 ASN 144 1HD2 ASN 144 16.474 -7.589 -4.982 1078 HD22 ASN 144 2HD2 ASN 144 16.215 -7.594 -6.690 1079 HA PRO 145 HA PRO 145 11.156 -11.416 -1.106 1080 HB2 PRO 145 1HB PRO 145 8.817 -12.543 -1.900 1081 HB3 PRO 145 2HB PRO 145 9.020 -10.805 -1.650 1082 HG2 PRO 145 1HG PRO 145 9.218 -12.304 -4.297 1083 HG3 PRO 145 2HG PRO 145 8.230 -10.871 -3.890 1084 HD2 PRO 145 1HD PRO 145 10.684 -10.800 -5.112 1085 HD3 PRO 145 2HD PRO 145 10.119 -9.507 -4.017 1086 H ARG 146 H ARG 146 10.772 -13.425 -4.202 1087 HA ARG 146 HA ARG 146 12.627 -15.283 -3.028 1088 HB2 ARG 146 1HB ARG 146 10.478 -16.143 -2.358 1089 HB3 ARG 146 2HB ARG 146 9.914 -16.170 -3.998 1090 HG2 ARG 146 1HG ARG 146 11.600 -17.893 -4.583 1091 HG3 ARG 146 2HG ARG 146 12.056 -17.983 -2.870 1092 HD2 ARG 146 1HD ARG 146 9.895 -18.772 -2.314 1093 HD3 ARG 146 2HD ARG 146 9.201 -18.237 -3.861 1094 HE ARG 146 HE ARG 146 10.656 -19.897 -4.992 1095 HH11 ARG 146 1HH1 ARG 146 9.224 -20.627 -1.897 1096 HH12 ARG 146 2HH1 ARG 146 9.898 -22.211 -1.688 1097 HH21 ARG 146 1HH2 ARG 146 11.603 -21.955 -4.872 1098 HH22 ARG 146 2HH2 ARG 146 11.214 -23.069 -3.599 1099 H GLU 147 H GLU 147 12.481 -13.275 -5.212 1100 HA GLU 147 HA GLU 147 12.840 -12.928 -7.361 1101 HB2 GLU 147 1HB GLU 147 15.420 -14.278 -6.603 1102 HB3 GLU 147 2HB GLU 147 15.108 -12.893 -7.668 1103 HG2 GLU 147 1HG GLU 147 15.858 -11.822 -5.764 1104 HG3 GLU 147 2HG GLU 147 14.096 -11.744 -5.626 1105 H ASN 148 H ASN 148 14.152 -16.131 -6.947 1106 HA ASN 148 HA ASN 148 13.841 -17.252 -9.586 1107 HB2 ASN 148 1HB ASN 148 14.106 -18.368 -6.750 1108 HB3 ASN 148 2HB ASN 148 13.922 -19.396 -8.168 1109 HD21 ASN 148 1HD2 ASN 148 16.132 -16.797 -6.803 1110 HD22 ASN 148 2HD2 ASN 148 17.470 -17.293 -7.811 1111 H ARG 149 H ARG 149 11.948 -16.963 -6.762 1112 HA ARG 149 HA ARG 149 9.735 -17.333 -6.151 1113 HB2 ARG 149 1HB ARG 149 9.358 -16.475 -9.002 1114 HB3 ARG 149 2HB ARG 149 8.020 -16.581 -7.860 1115 HG2 ARG 149 1HG ARG 149 10.343 -14.626 -8.011 1116 HG3 ARG 149 2HG ARG 149 8.624 -14.281 -8.202 1117 HD2 ARG 149 1HD ARG 149 9.992 -15.348 -5.778 1118 HD3 ARG 149 2HD ARG 149 9.531 -13.631 -5.978 1119 HE ARG 149 HE ARG 149 7.214 -15.153 -6.447 1120 HH11 ARG 149 1HH1 ARG 149 9.045 -14.662 -3.389 1121 HH12 ARG 149 2HH1 ARG 149 7.603 -14.496 -2.480 1122 HH21 ARG 149 1HH2 ARG 149 5.442 -15.014 -5.249 1123 HH22 ARG 149 2HH2 ARG 149 5.528 -14.784 -3.505 Start of MODEL 2 1 H1 MET 1 H MET 1 -15.182 -6.347 7.730 2 HA MET 1 HA MET 1 -16.610 -4.460 5.973 3 HB2 MET 1 1HB MET 1 -18.133 -5.572 7.671 4 HB3 MET 1 2HB MET 1 -17.192 -4.762 8.937 5 HG2 MET 1 1HG MET 1 -17.708 -2.560 7.829 6 HG3 MET 1 2HG MET 1 -18.636 -3.442 6.623 7 HE1 MET 1 3HE MET 1 -18.625 -1.626 9.959 8 HE2 MET 1 1HE MET 1 -19.934 -2.368 10.899 9 HE3 MET 1 2HE MET 1 -18.425 -3.267 10.630 10 H ALA 2 H ALA 2 -14.232 -3.937 5.589 11 HA ALA 2 HA ALA 2 -13.785 -1.512 7.036 12 HB1 ALA 2 1HB ALA 2 -11.646 -3.693 6.903 13 HB2 ALA 2 2HB ALA 2 -11.315 -1.991 7.291 14 HB3 ALA 2 3HB ALA 2 -12.329 -2.963 8.370 15 H HIS 3 H HIS 3 -12.190 -0.232 5.696 16 HA HIS 3 HA HIS 3 -11.978 -1.158 2.871 17 HB2 HIS 3 1HB HIS 3 -12.635 1.675 3.769 18 HB3 HIS 3 2HB HIS 3 -12.415 1.114 2.114 19 HD1 HIS 3 1HD HIS 3 -15.148 1.997 4.262 20 HD2 HIS 3 2HD HIS 3 -14.308 -1.088 1.525 21 HE1 HIS 3 1HE HIS 3 -17.396 0.915 3.632 22 H ILE 4 H ILE 4 -9.919 -1.024 2.142 23 HA ILE 4 HA ILE 4 -7.993 0.637 3.689 24 HB ILE 4 HB ILE 4 -6.312 -1.063 3.468 25 HG12 ILE 4 1HG1 ILE 4 -8.438 -2.935 2.336 26 HG13 ILE 4 2HG1 ILE 4 -7.168 -2.167 1.395 27 HG21 ILE 4 1HG2 ILE 4 -8.824 -2.165 4.811 28 HG22 ILE 4 2HG2 ILE 4 -7.147 -2.626 5.191 29 HG23 ILE 4 3HG2 ILE 4 -7.731 -0.986 5.491 30 HD11 ILE 4 3HD1 ILE 4 -6.804 -4.263 3.539 31 HD12 ILE 4 1HD1 ILE 4 -6.358 -4.326 1.829 32 HD13 ILE 4 2HD1 ILE 4 -5.461 -3.271 2.935 33 H PHE 5 H PHE 5 -6.272 1.424 2.453 34 HA PHE 5 HA PHE 5 -6.764 1.390 -0.485 35 HB2 PHE 5 1HB PHE 5 -7.055 3.569 0.574 36 HB3 PHE 5 2HB PHE 5 -5.434 3.483 1.257 37 HD1 PHE 5 2HD PHE 5 -7.371 3.596 -1.934 38 HD2 PHE 5 1HD PHE 5 -3.535 4.142 -0.055 39 HE1 PHE 5 2HE PHE 5 -6.548 4.749 -3.955 40 HE2 PHE 5 1HE PHE 5 -2.689 5.227 -2.113 41 HZ PHE 5 HZ PHE 5 -4.212 5.626 -4.033 42 H VAL 6 H VAL 6 -5.160 0.486 -1.681 43 HA VAL 6 HA VAL 6 -2.972 -0.863 -0.278 44 HB VAL 6 HB VAL 6 -2.515 -1.656 -2.710 45 HG11 VAL 6 1HG1 VAL 6 -4.446 -3.255 -2.565 46 HG12 VAL 6 2HG1 VAL 6 -3.522 -3.098 -1.071 47 HG13 VAL 6 3HG1 VAL 6 -5.087 -2.293 -1.211 48 HG21 VAL 6 3HG2 VAL 6 -5.363 -0.721 -3.189 49 HG22 VAL 6 1HG2 VAL 6 -3.942 0.193 -3.771 50 HG23 VAL 6 2HG2 VAL 6 -4.217 -1.476 -4.296 51 H TYR 7 H TYR 7 -0.711 -0.819 -1.224 52 HA TYR 7 HA TYR 7 0.040 1.916 -2.165 53 HB2 TYR 7 1HB TYR 7 2.264 1.517 -1.230 54 HB3 TYR 7 2HB TYR 7 1.001 1.705 -0.071 55 HD1 TYR 7 1HD TYR 7 0.201 -0.141 1.298 56 HD2 TYR 7 2HD TYR 7 3.604 -0.610 -1.284 57 HE1 TYR 7 1HE TYR 7 1.005 -1.998 2.707 58 HE2 TYR 7 2HE TYR 7 4.448 -2.428 0.149 59 HH TYR 7 HH TYR 7 4.097 -3.681 2.227 60 H GLY 8 H GLY 8 0.319 -1.516 -2.824 61 HA2 GLY 8 2HA GLY 8 0.188 -1.557 -5.380 62 HA3 GLY 8 1HA GLY 8 1.838 -0.938 -5.340 63 H THR 9 H THR 9 1.652 -2.965 -2.666 64 HA THR 9 HA THR 9 2.759 -5.342 -3.674 65 HB THR 9 HB THR 9 1.603 -6.148 -1.443 66 HG1 THR 9 1HG THR 9 0.991 -4.412 -0.140 67 HG21 THR 9 3HG2 THR 9 4.020 -5.697 -1.743 68 HG22 THR 9 1HG2 THR 9 3.455 -5.106 -0.175 69 HG23 THR 9 2HG2 THR 9 3.743 -3.968 -1.514 70 H LEU 10 H LEU 10 -0.549 -4.163 -3.312 71 HA LEU 10 HA LEU 10 -1.676 -6.662 -4.460 72 HB2 LEU 10 1HB LEU 10 -2.685 -4.805 -2.282 73 HB3 LEU 10 2HB LEU 10 -3.560 -6.204 -2.903 74 HG LEU 10 HG LEU 10 -0.819 -6.780 -1.839 75 HD11 LEU 10 1HD1 LEU 10 -1.583 -6.775 0.498 76 HD12 LEU 10 2HD1 LEU 10 -3.110 -6.013 0.016 77 HD13 LEU 10 3HD1 LEU 10 -1.572 -5.139 -0.171 78 HD21 LEU 10 3HD2 LEU 10 -3.451 -8.097 -1.211 79 HD22 LEU 10 1HD2 LEU 10 -1.838 -8.818 -1.203 80 HD23 LEU 10 2HD2 LEU 10 -2.636 -8.389 -2.746 81 H LYS 11 H LYS 11 -1.078 -4.735 -6.347 82 HA LYS 11 HA LYS 11 -3.752 -3.935 -7.122 83 HB2 LYS 11 1HB LYS 11 -2.628 -2.018 -5.644 84 HB3 LYS 11 2HB LYS 11 -1.899 -1.551 -7.154 85 HG2 LYS 11 1HG LYS 11 -4.881 -1.846 -6.631 86 HG3 LYS 11 2HG LYS 11 -3.969 -0.349 -6.698 87 HD2 LYS 11 1HD LYS 11 -4.664 -0.230 -8.828 88 HD3 LYS 11 2HD LYS 11 -3.327 -1.301 -9.153 89 HE2 LYS 11 1HE LYS 11 -5.252 -2.164 -10.284 90 HE3 LYS 11 2HE LYS 11 -4.926 -3.277 -8.952 91 HZ1 LYS 11 3HZ LYS 11 -6.907 -1.112 -8.747 92 HZ2 LYS 11 1HZ LYS 11 -6.746 -2.467 -7.777 93 HZ3 LYS 11 2HZ LYS 11 -7.277 -2.593 -9.329 94 H ARG 12 H ARG 12 -0.326 -3.091 -8.125 95 HA ARG 12 HA ARG 12 -1.028 -3.614 -10.901 96 HB2 ARG 12 1HB ARG 12 1.568 -3.165 -9.388 97 HB3 ARG 12 2HB ARG 12 1.569 -3.538 -11.113 98 HG2 ARG 12 1HG ARG 12 -0.287 -1.345 -10.178 99 HG3 ARG 12 2HG ARG 12 1.435 -1.026 -10.149 100 HD2 ARG 12 1HD ARG 12 1.574 -1.695 -12.543 101 HD3 ARG 12 2HD ARG 12 -0.194 -1.820 -12.589 102 HE ARG 12 HE ARG 12 0.325 0.630 -11.447 103 HH11 ARG 12 1HH1 ARG 12 1.532 -0.702 -14.488 104 HH12 ARG 12 2HH1 ARG 12 1.780 0.848 -15.215 105 HH21 ARG 12 1HH2 ARG 12 0.414 2.620 -12.371 106 HH22 ARG 12 2HH2 ARG 12 1.164 2.842 -13.895 107 H GLY 13 H GLY 13 1.774 -5.419 -9.537 108 HA2 GLY 13 2HA GLY 13 0.274 -7.802 -9.137 109 HA3 GLY 13 1HA GLY 13 1.093 -7.793 -10.726 110 H GLN 14 H GLN 14 1.889 -6.634 -7.418 111 HA GLN 14 HA GLN 14 4.628 -7.531 -7.464 112 HB2 GLN 14 1HB GLN 14 2.849 -6.100 -5.729 113 HB3 GLN 14 2HB GLN 14 3.487 -7.440 -4.800 114 HG2 GLN 14 1HG GLN 14 4.801 -5.343 -4.552 115 HG3 GLN 14 2HG GLN 14 5.785 -6.646 -5.178 116 HE21 GLN 14 1HE2 GLN 14 3.549 -4.137 -6.668 117 HE22 GLN 14 2HE2 GLN 14 4.857 -3.569 -7.716 118 HA PRO 15 HA PRO 15 4.179 -11.847 -6.833 119 HB2 PRO 15 1HB PRO 15 5.963 -12.334 -4.659 120 HB3 PRO 15 2HB PRO 15 6.378 -12.256 -6.405 121 HG2 PRO 15 1HG PRO 15 6.818 -10.362 -4.212 122 HG3 PRO 15 2HG PRO 15 7.610 -10.399 -5.818 123 HD2 PRO 15 1HD PRO 15 5.538 -8.713 -4.818 124 HD3 PRO 15 2HD PRO 15 6.236 -8.682 -6.455 125 H ASN 16 H ASN 16 2.956 -9.772 -4.581 126 HA ASN 16 HA ASN 16 2.078 -11.807 -2.630 127 HB2 ASN 16 1HB ASN 16 2.149 -8.956 -1.848 128 HB3 ASN 16 2HB ASN 16 2.555 -10.362 -0.923 129 HD21 ASN 16 1HD2 ASN 16 3.883 -7.627 -2.189 130 HD22 ASN 16 2HD2 ASN 16 5.533 -8.136 -2.339 131 H HIS 17 H HIS 17 0.861 -10.146 -5.365 132 HA HIS 17 HA HIS 17 -1.125 -8.689 -3.976 133 HB2 HIS 17 1HB HIS 17 -1.839 -8.122 -6.137 134 HB3 HIS 17 2HB HIS 17 -0.101 -8.148 -6.217 135 HD1 HIS 17 1HD HIS 17 0.927 -10.159 -7.957 136 HD2 HIS 17 2HD HIS 17 -3.185 -9.811 -7.184 137 HE1 HIS 17 1HE HIS 17 -0.237 -11.568 -9.755 138 H LYS 18 H LYS 18 -0.954 -11.792 -5.691 139 HA LYS 18 HA LYS 18 -3.636 -12.311 -5.991 140 HB2 LYS 18 1HB LYS 18 -3.041 -14.606 -6.530 141 HB3 LYS 18 2HB LYS 18 -1.920 -13.458 -7.224 142 HG2 LYS 18 1HG LYS 18 -0.560 -15.157 -6.557 143 HG3 LYS 18 2HG LYS 18 -0.319 -13.952 -5.302 144 HD2 LYS 18 1HD LYS 18 -1.742 -15.227 -3.775 145 HD3 LYS 18 2HD LYS 18 -2.192 -16.367 -5.038 146 HE2 LYS 18 1HE LYS 18 0.698 -15.869 -4.273 147 HE3 LYS 18 2HE LYS 18 -0.309 -16.978 -3.312 148 HZ1 LYS 18 3HZ LYS 18 0.209 -17.285 -6.219 149 HZ2 LYS 18 1HZ LYS 18 -0.654 -18.317 -5.256 150 HZ3 LYS 18 2HZ LYS 18 0.951 -18.144 -5.056 151 H VAL 19 H VAL 19 -2.063 -12.449 -2.946 152 HA VAL 19 HA VAL 19 -3.644 -14.491 -1.709 153 HB VAL 19 HB VAL 19 -3.022 -13.013 0.378 154 HG11 VAL 19 1HG1 VAL 19 -0.736 -13.998 0.338 155 HG12 VAL 19 2HG1 VAL 19 -1.869 -15.157 -0.389 156 HG13 VAL 19 3HG1 VAL 19 -0.809 -14.200 -1.421 157 HG21 VAL 19 3HG2 VAL 19 -1.275 -11.459 0.147 158 HG22 VAL 19 1HG2 VAL 19 -1.018 -11.904 -1.533 159 HG23 VAL 19 2HG2 VAL 19 -2.483 -10.989 -1.061 160 H MET 20 H MET 20 -4.295 -11.034 -2.476 161 HA MET 20 HA MET 20 -6.724 -11.049 -0.897 162 HB2 MET 20 1HB MET 20 -7.050 -8.863 -1.575 163 HB3 MET 20 2HB MET 20 -5.358 -9.095 -1.143 164 HG2 MET 20 1HG MET 20 -4.653 -8.552 -3.052 165 HG3 MET 20 2HG MET 20 -5.649 -9.585 -3.969 166 HE1 MET 20 3HE MET 20 -5.446 -6.591 -1.849 167 HE2 MET 20 1HE MET 20 -6.176 -5.263 -2.737 168 HE3 MET 20 2HE MET 20 -7.201 -6.343 -1.762 169 H LEU 21 H LEU 21 -6.070 -12.762 -3.620 170 HA LEU 21 HA LEU 21 -8.701 -12.303 -4.908 171 HB2 LEU 21 1HB LEU 21 -6.176 -13.357 -6.220 172 HB3 LEU 21 2HB LEU 21 -7.675 -12.885 -6.989 173 HG LEU 21 HG LEU 21 -5.699 -10.988 -5.675 174 HD11 LEU 21 1HD1 LEU 21 -6.338 -11.497 -8.598 175 HD12 LEU 21 2HD1 LEU 21 -4.866 -12.010 -7.755 176 HD13 LEU 21 3HD1 LEU 21 -5.220 -10.280 -7.976 177 HD21 LEU 21 3HD2 LEU 21 -7.036 -9.189 -6.784 178 HD22 LEU 21 1HD2 LEU 21 -7.957 -10.036 -5.535 179 HD23 LEU 21 2HD2 LEU 21 -8.249 -10.400 -7.246 180 H ASP 22 H ASP 22 -7.542 -14.305 -2.701 181 HA ASP 22 HA ASP 22 -8.493 -16.800 -4.004 182 HB2 ASP 22 1HB ASP 22 -5.774 -16.117 -3.064 183 HB3 ASP 22 2HB ASP 22 -6.378 -17.589 -2.323 184 H HIS 23 H HIS 23 -9.280 -14.882 -1.777 185 HA HIS 23 HA HIS 23 -10.066 -14.915 0.338 186 HB2 HIS 23 1HB HIS 23 -11.828 -15.318 -1.310 187 HB3 HIS 23 2HB HIS 23 -11.832 -17.045 -0.872 188 HD1 HIS 23 1HD HIS 23 -13.016 -17.575 1.523 189 HD2 HIS 23 2HD HIS 23 -12.388 -13.508 0.664 190 HE1 HIS 23 1HE HIS 23 -14.080 -16.287 3.418 191 H SER 24 H SER 24 -7.805 -16.635 0.214 192 HA SER 24 HA SER 24 -8.401 -18.468 2.533 193 HB2 SER 24 1HB SER 24 -6.151 -18.646 0.658 194 HB3 SER 24 2HB SER 24 -6.641 -19.833 1.870 195 HG SER 24 HG SER 24 -8.081 -18.965 -0.447 196 H HIS 25 H HIS 25 -6.768 -15.587 1.661 197 HA HIS 25 HA HIS 25 -5.268 -15.520 4.240 198 HB2 HIS 25 1HB HIS 25 -4.932 -13.992 1.639 199 HB3 HIS 25 2HB HIS 25 -4.092 -13.609 3.135 200 HD1 HIS 25 1HD HIS 25 -1.731 -14.472 3.030 201 HD2 HIS 25 2HD HIS 25 -4.510 -17.050 1.232 202 HE1 HIS 25 1HE HIS 25 -0.399 -16.455 2.044 203 H GLY 26 H GLY 26 -8.296 -14.527 2.938 204 HA2 GLY 26 2HA GLY 26 -9.540 -13.297 4.768 205 HA3 GLY 26 1HA GLY 26 -8.326 -12.032 4.512 206 H LEU 27 H LEU 27 -10.749 -11.220 4.119 207 HA LEU 27 HA LEU 27 -11.701 -11.707 1.409 208 HB2 LEU 27 1HB LEU 27 -13.160 -11.336 3.453 209 HB3 LEU 27 2HB LEU 27 -12.510 -9.696 3.515 210 HG LEU 27 HG LEU 27 -13.513 -9.179 1.298 211 HD11 LEU 27 1HD1 LEU 27 -14.480 -12.058 1.535 212 HD12 LEU 27 2HD1 LEU 27 -13.467 -11.357 0.249 213 HD13 LEU 27 3HD1 LEU 27 -15.140 -10.878 0.373 214 HD21 LEU 27 3HD2 LEU 27 -15.864 -9.236 1.986 215 HD22 LEU 27 1HD2 LEU 27 -14.829 -8.756 3.337 216 HD23 LEU 27 2HD2 LEU 27 -15.481 -10.413 3.268 217 H ALA 28 H ALA 28 -11.446 -10.333 -0.359 218 HA ALA 28 HA ALA 28 -11.207 -7.575 0.219 219 HB1 ALA 28 1HB ALA 28 -9.434 -7.026 -1.346 220 HB2 ALA 28 2HB ALA 28 -8.801 -8.145 -0.120 221 HB3 ALA 28 3HB ALA 28 -9.227 -8.744 -1.748 222 H ALA 29 H ALA 29 -12.191 -6.342 -1.489 223 HA ALA 29 HA ALA 29 -12.790 -7.587 -4.088 224 HB1 ALA 29 1HB ALA 29 -15.169 -6.788 -3.933 225 HB2 ALA 29 2HB ALA 29 -14.812 -8.114 -2.819 226 HB3 ALA 29 3HB ALA 29 -14.909 -6.451 -2.207 227 H PHE 30 H PHE 30 -12.874 -6.000 -5.686 228 HA PHE 30 HA PHE 30 -11.632 -3.459 -5.267 229 HB2 PHE 30 1HB PHE 30 -11.468 -4.690 -7.353 230 HB3 PHE 30 2HB PHE 30 -13.217 -4.711 -7.546 231 HD1 PHE 30 2HD PHE 30 -10.219 -2.597 -7.740 232 HD2 PHE 30 1HD PHE 30 -14.389 -2.942 -8.609 233 HE1 PHE 30 2HE PHE 30 -10.135 -0.416 -9.016 234 HE2 PHE 30 1HE PHE 30 -14.289 -0.815 -9.934 235 HZ PHE 30 HZ PHE 30 -12.183 0.412 -10.149 236 H ARG 31 H ARG 31 -12.578 -1.594 -4.405 237 HA ARG 31 HA ARG 31 -15.490 -1.239 -4.726 238 HB2 ARG 31 1HB ARG 31 -15.007 -2.536 -2.582 239 HB3 ARG 31 2HB ARG 31 -14.172 -1.107 -1.990 240 HG2 ARG 31 1HG ARG 31 -16.376 -1.159 -1.062 241 HG3 ARG 31 2HG ARG 31 -16.293 0.196 -2.143 242 HD2 ARG 31 1HD ARG 31 -17.996 -0.502 -3.327 243 HD3 ARG 31 2HD ARG 31 -17.257 -2.081 -3.660 244 HE ARG 31 HE ARG 31 -18.047 -2.739 -1.339 245 HH11 ARG 31 1HH1 ARG 31 -19.944 -0.523 -3.374 246 HH12 ARG 31 2HH1 ARG 31 -21.267 -0.422 -2.276 247 HH21 ARG 31 1HH2 ARG 31 -19.846 -2.935 -0.108 248 HH22 ARG 31 2HH2 ARG 31 -21.326 -2.096 -0.442 249 H GLY 32 H GLY 32 -13.206 0.037 -5.968 250 HA2 GLY 32 2HA GLY 32 -14.071 2.198 -6.811 251 HA3 GLY 32 1HA GLY 32 -13.926 2.824 -5.155 252 H ARG 33 H ARG 33 -12.472 2.684 -8.070 253 HA ARG 33 HA ARG 33 -9.678 2.454 -7.254 254 HB2 ARG 33 1HB ARG 33 -8.983 3.236 -9.344 255 HB3 ARG 33 2HB ARG 33 -10.327 2.098 -9.534 256 HG2 ARG 33 1HG ARG 33 -11.732 4.417 -9.504 257 HG3 ARG 33 2HG ARG 33 -10.170 5.029 -10.118 258 HD2 ARG 33 1HD ARG 33 -10.200 3.058 -11.701 259 HD3 ARG 33 2HD ARG 33 -11.881 2.778 -11.222 260 HE ARG 33 HE ARG 33 -11.142 5.475 -12.216 261 HH11 ARG 33 1HH1 ARG 33 -13.100 2.561 -12.833 262 HH12 ARG 33 2HH1 ARG 33 -13.409 3.006 -14.460 263 HH21 ARG 33 1HH2 ARG 33 -12.563 6.330 -13.789 264 HH22 ARG 33 2HH2 ARG 33 -13.554 5.285 -14.724 265 H GLY 34 H GLY 34 -8.155 4.288 -6.861 266 HA2 GLY 34 2HA GLY 34 -9.407 6.842 -6.162 267 HA3 GLY 34 1HA GLY 34 -9.003 5.799 -4.794 268 H CYS 35 H CYS 35 -7.864 8.142 -4.693 269 HA CYS 35 HA CYS 35 -5.023 7.643 -5.378 270 HB2 CYS 35 1HB CYS 35 -4.791 9.704 -6.468 271 HB3 CYS 35 2HB CYS 35 -6.310 9.177 -7.059 272 HG CYS 35 HG CYS 35 -6.414 11.737 -6.729 273 H THR 36 H THR 36 -3.569 8.615 -3.782 274 HA THR 36 HA THR 36 -4.777 9.416 -1.216 275 HB THR 36 HB THR 36 -2.565 9.962 -0.519 276 HG1 THR 36 1HG THR 36 -1.477 10.736 -2.117 277 HG21 THR 36 3HG2 THR 36 -3.244 7.549 -0.477 278 HG22 THR 36 1HG2 THR 36 -1.479 7.808 -0.527 279 HG23 THR 36 2HG2 THR 36 -2.349 7.348 -2.000 280 H VAL 37 H VAL 37 -5.722 11.379 -1.120 281 HA VAL 37 HA VAL 37 -5.602 13.283 -3.247 282 HB VAL 37 HB VAL 37 -6.481 13.717 -0.341 283 HG11 VAL 37 1HG1 VAL 37 -7.478 14.947 -2.935 284 HG12 VAL 37 2HG1 VAL 37 -7.959 15.381 -1.272 285 HG13 VAL 37 3HG1 VAL 37 -6.325 15.727 -1.815 286 HG21 VAL 37 3HG2 VAL 37 -7.677 11.790 -0.962 287 HG22 VAL 37 1HG2 VAL 37 -8.806 13.091 -1.329 288 HG23 VAL 37 2HG2 VAL 37 -7.874 12.332 -2.644 289 H GLU 38 H GLU 38 -3.949 12.806 -0.212 290 HA GLU 38 HA GLU 38 -2.280 15.221 -0.381 291 HB2 GLU 38 1HB GLU 38 -2.427 12.784 1.450 292 HB3 GLU 38 2HB GLU 38 -1.205 14.019 1.616 293 HG2 GLU 38 1HG GLU 38 -4.188 14.369 1.941 294 HG3 GLU 38 2HG GLU 38 -2.978 14.383 3.183 295 H SER 39 H SER 39 -0.251 15.179 -1.254 296 HA SER 39 HA SER 39 0.846 12.941 -2.654 297 HB2 SER 39 1HB SER 39 2.346 15.199 -1.282 298 HB3 SER 39 2HB SER 39 2.786 14.313 -2.741 299 HG SER 39 HG SER 39 1.444 15.484 -3.916 300 H PHE 40 H PHE 40 2.551 11.449 -1.788 301 HA PHE 40 HA PHE 40 3.198 11.864 1.069 302 HB2 PHE 40 1HB PHE 40 2.220 9.266 -0.217 303 HB3 PHE 40 2HB PHE 40 3.294 9.339 1.165 304 HD1 PHE 40 2HD PHE 40 2.617 10.314 3.331 305 HD2 PHE 40 1HD PHE 40 -0.140 9.748 0.101 306 HE1 PHE 40 2HE PHE 40 0.694 10.772 4.890 307 HE2 PHE 40 1HE PHE 40 -2.057 10.119 1.671 308 HZ PHE 40 HZ PHE 40 -1.633 10.804 3.978 309 HA PRO 41 HA PRO 41 7.257 10.917 -0.689 310 HB2 PRO 41 1HB PRO 41 8.610 10.318 1.640 311 HB3 PRO 41 2HB PRO 41 8.260 11.988 1.064 312 HG2 PRO 41 1HG PRO 41 6.774 10.392 3.153 313 HG3 PRO 41 2HG PRO 41 7.166 12.131 3.126 314 HD2 PRO 41 1HD PRO 41 4.729 11.030 2.495 315 HD3 PRO 41 2HD PRO 41 5.314 12.566 1.804 316 H LEU 42 H LEU 42 6.568 9.026 -1.781 317 HA LEU 42 HA LEU 42 6.765 6.488 -0.319 318 HB2 LEU 42 1HB LEU 42 5.001 6.813 -2.016 319 HB3 LEU 42 2HB LEU 42 6.194 7.178 -3.236 320 HG LEU 42 HG LEU 42 7.079 4.915 -3.214 321 HD11 LEU 42 1HD1 LEU 42 6.010 3.150 -1.825 322 HD12 LEU 42 2HD1 LEU 42 5.141 4.399 -0.913 323 HD13 LEU 42 3HD1 LEU 42 6.916 4.298 -0.857 324 HD21 LEU 42 3HD2 LEU 42 4.944 5.438 -4.497 325 HD22 LEU 42 1HD2 LEU 42 4.055 4.680 -3.167 326 HD23 LEU 42 2HD2 LEU 42 5.218 3.731 -4.126 327 H VAL 43 H VAL 43 8.831 5.729 0.079 328 HA VAL 43 HA VAL 43 10.953 6.237 -1.966 329 HB VAL 43 HB VAL 43 12.469 6.436 0.086 330 HG11 VAL 43 1HG1 VAL 43 11.581 8.364 -1.374 331 HG12 VAL 43 2HG1 VAL 43 10.225 8.520 -0.248 332 HG13 VAL 43 3HG1 VAL 43 11.870 8.837 0.310 333 HG21 VAL 43 3HG2 VAL 43 11.565 7.005 2.201 334 HG22 VAL 43 1HG2 VAL 43 9.910 7.083 1.565 335 HG23 VAL 43 2HG2 VAL 43 10.740 5.518 1.735 336 H ILE 44 H ILE 44 12.218 4.507 -2.508 337 HA ILE 44 HA ILE 44 11.387 1.888 -1.357 338 HB ILE 44 HB ILE 44 12.479 2.425 -4.131 339 HG12 ILE 44 1HG1 ILE 44 9.616 2.270 -3.144 340 HG13 ILE 44 2HG1 ILE 44 10.374 3.571 -4.035 341 HG21 ILE 44 1HG2 ILE 44 11.130 0.011 -2.828 342 HG22 ILE 44 2HG2 ILE 44 11.697 0.085 -4.510 343 HG23 ILE 44 3HG2 ILE 44 12.865 0.164 -3.203 344 HD11 ILE 44 3HD1 ILE 44 8.891 2.412 -5.518 345 HD12 ILE 44 1HD1 ILE 44 10.551 2.097 -6.046 346 HD13 ILE 44 2HD1 ILE 44 9.635 0.849 -5.167 347 H ALA 45 H ALA 45 12.807 2.380 0.358 348 HA ALA 45 HA ALA 45 15.703 2.184 -0.191 349 HB1 ALA 45 1HB ALA 45 14.832 3.719 1.582 350 HB2 ALA 45 2HB ALA 45 14.275 2.269 2.484 351 HB3 ALA 45 3HB ALA 45 15.995 2.518 2.142 352 H GLY 46 H GLY 46 16.768 0.741 1.288 353 HA2 GLY 46 2HA GLY 46 17.063 -1.220 2.618 354 HA3 GLY 46 1HA GLY 46 15.402 -1.707 2.246 355 H GLU 47 H GLU 47 17.862 -3.312 2.064 356 HA GLU 47 HA GLU 47 18.860 -3.396 -0.514 357 HB2 GLU 47 1HB GLU 47 19.662 -4.458 1.815 358 HB3 GLU 47 2HB GLU 47 18.845 -5.893 1.179 359 HG2 GLU 47 1HG GLU 47 20.248 -5.543 -0.953 360 HG3 GLU 47 2HG GLU 47 21.111 -4.281 -0.098 361 H HIS 48 H HIS 48 15.866 -4.527 0.383 362 HA HIS 48 HA HIS 48 15.714 -6.302 -1.991 363 HB2 HIS 48 1HB HIS 48 14.512 -6.492 0.772 364 HB3 HIS 48 2HB HIS 48 13.701 -7.266 -0.553 365 HD1 HIS 48 1HD HIS 48 14.767 -9.413 -1.701 366 HD2 HIS 48 2HD HIS 48 16.993 -7.366 1.153 367 HE1 HIS 48 1HE HIS 48 16.894 -10.785 -1.411 368 H ASN 49 H ASN 49 15.286 -3.299 -1.525 369 HA ASN 49 HA ASN 49 13.989 -1.631 -2.226 370 HB2 ASN 49 1HB ASN 49 13.368 -3.712 -4.333 371 HB3 ASN 49 2HB ASN 49 12.871 -2.037 -4.482 372 HD21 ASN 49 1HD2 ASN 49 15.098 -3.988 -5.745 373 HD22 ASN 49 2HD2 ASN 49 16.455 -2.890 -5.821 374 H ILE 50 H ILE 50 12.865 -1.776 -0.279 375 HA ILE 50 HA ILE 50 10.240 -3.104 -0.178 376 HB ILE 50 HB ILE 50 12.217 -2.281 1.976 377 HG12 ILE 50 1HG1 ILE 50 11.110 -5.027 1.308 378 HG13 ILE 50 2HG1 ILE 50 12.610 -4.429 0.622 379 HG21 ILE 50 1HG2 ILE 50 9.430 -3.519 2.281 380 HG22 ILE 50 2HG2 ILE 50 10.580 -3.218 3.600 381 HG23 ILE 50 3HG2 ILE 50 9.872 -1.867 2.742 382 HD11 ILE 50 3HD1 ILE 50 12.104 -4.815 3.594 383 HD12 ILE 50 1HD1 ILE 50 13.075 -5.843 2.542 384 HD13 ILE 50 2HD1 ILE 50 13.593 -4.171 2.867 385 HA PRO 51 HA PRO 51 9.400 1.394 -1.001 386 HB2 PRO 51 1HB PRO 51 6.751 1.114 -1.606 387 HB3 PRO 51 2HB PRO 51 8.049 0.827 -2.793 388 HG2 PRO 51 1HG PRO 51 6.612 -1.216 -1.080 389 HG3 PRO 51 2HG PRO 51 6.926 -1.236 -2.840 390 HD2 PRO 51 1HD PRO 51 8.558 -2.582 -1.202 391 HD3 PRO 51 2HD PRO 51 9.241 -1.607 -2.532 392 H TRP 52 H TRP 52 9.499 2.404 0.923 393 HA TRP 52 HA TRP 52 7.659 1.711 3.122 394 HB2 TRP 52 1HB TRP 52 10.013 3.618 2.942 395 HB3 TRP 52 2HB TRP 52 9.042 3.329 4.370 396 HD1 TRP 52 HD TRP 52 11.851 1.846 2.384 397 HE1 TRP 52 1HE TRP 52 12.769 -0.268 3.554 398 HE3 TRP 52 3HE TRP 52 8.109 1.123 5.755 399 HZ2 TRP 52 2HZ TRP 52 11.979 -2.001 5.730 400 HZ3 TRP 52 3HZ TRP 52 8.157 -0.785 7.292 401 HH2 TRP 52 HH TRP 52 10.149 -2.310 7.356 402 H LEU 53 H LEU 53 5.709 2.736 3.052 403 HA LEU 53 HA LEU 53 5.515 5.353 1.753 404 HB2 LEU 53 1HB LEU 53 3.749 3.385 1.770 405 HB3 LEU 53 2HB LEU 53 3.234 4.115 3.283 406 HG LEU 53 HG LEU 53 3.320 5.249 0.477 407 HD11 LEU 53 1HD1 LEU 53 0.940 5.627 0.900 408 HD12 LEU 53 2HD1 LEU 53 1.170 5.381 2.641 409 HD13 LEU 53 3HD1 LEU 53 1.298 3.993 1.519 410 HD21 LEU 53 3HD2 LEU 53 4.197 7.113 1.531 411 HD22 LEU 53 1HD2 LEU 53 3.051 6.992 2.912 412 HD23 LEU 53 2HD2 LEU 53 2.475 7.351 1.262 413 H LEU 54 H LEU 54 6.836 6.651 3.088 414 HA LEU 54 HA LEU 54 6.630 6.862 5.891 415 HB2 LEU 54 1HB LEU 54 7.717 8.540 3.604 416 HB3 LEU 54 2HB LEU 54 7.649 9.172 5.248 417 HG LEU 54 HG LEU 54 8.856 7.332 6.076 418 HD11 LEU 54 1HD1 LEU 54 8.541 5.562 4.803 419 HD12 LEU 54 2HD1 LEU 54 10.231 5.962 4.440 420 HD13 LEU 54 3HD1 LEU 54 8.913 6.428 3.314 421 HD21 LEU 54 3HD2 LEU 54 10.233 8.846 3.801 422 HD22 LEU 54 1HD2 LEU 54 11.109 8.029 5.101 423 HD23 LEU 54 2HD2 LEU 54 10.079 9.413 5.491 424 H TYR 55 H TYR 55 5.089 7.721 7.121 425 HA TYR 55 HA TYR 55 2.722 8.806 5.880 426 HB2 TYR 55 1HB TYR 55 2.757 7.330 7.922 427 HB3 TYR 55 2HB TYR 55 3.430 8.647 8.845 428 HD1 TYR 55 2HD TYR 55 0.620 8.258 6.321 429 HD2 TYR 55 1HD TYR 55 1.797 9.633 10.235 430 HE1 TYR 55 2HE TYR 55 -1.687 9.056 6.732 431 HE2 TYR 55 1HE TYR 55 -0.485 10.526 10.606 432 HH TYR 55 HH TYR 55 -3.191 9.726 8.517 433 H LEU 56 H LEU 56 3.541 10.623 4.800 434 HA LEU 56 HA LEU 56 3.702 13.054 6.497 435 HB2 LEU 56 1HB LEU 56 5.907 11.950 5.136 436 HB3 LEU 56 2HB LEU 56 5.374 13.178 4.082 437 HG LEU 56 HG LEU 56 6.822 14.414 5.154 438 HD11 LEU 56 1HD1 LEU 56 4.723 14.759 7.323 439 HD12 LEU 56 2HD1 LEU 56 4.577 15.428 5.679 440 HD13 LEU 56 3HD1 LEU 56 5.908 15.931 6.707 441 HD21 LEU 56 3HD2 LEU 56 6.454 12.792 7.687 442 HD22 LEU 56 1HD2 LEU 56 7.619 14.124 7.466 443 HD23 LEU 56 2HD2 LEU 56 7.780 12.663 6.502 444 HA PRO 57 HA PRO 57 0.390 13.384 3.203 445 HB2 PRO 57 1HB PRO 57 -1.259 15.052 4.631 446 HB3 PRO 57 2HB PRO 57 -1.267 13.272 4.766 447 HG2 PRO 57 1HG PRO 57 0.031 15.282 6.593 448 HG3 PRO 57 2HG PRO 57 -0.880 13.809 7.030 449 HD2 PRO 57 1HD PRO 57 1.846 13.923 6.995 450 HD3 PRO 57 2HD PRO 57 0.951 12.425 6.590 451 H GLY 58 H GLY 58 0.880 14.742 1.600 452 HA2 GLY 58 2HA GLY 58 0.855 16.867 0.567 453 HA3 GLY 58 1HA GLY 58 1.108 17.653 2.128 454 H LYS 59 H LYS 59 3.257 14.945 1.451 455 HA LYS 59 HA LYS 59 5.386 16.750 0.371 456 HB2 LYS 59 1HB LYS 59 5.917 16.329 2.674 457 HB3 LYS 59 2HB LYS 59 5.310 14.694 2.589 458 HG2 LYS 59 1HG LYS 59 7.637 14.468 2.795 459 HG3 LYS 59 2HG LYS 59 7.256 14.054 1.141 460 HD2 LYS 59 1HD LYS 59 9.031 15.431 0.755 461 HD3 LYS 59 2HD LYS 59 7.760 16.664 0.742 462 HE2 LYS 59 1HE LYS 59 8.232 17.234 3.076 463 HE3 LYS 59 2HE LYS 59 9.357 15.872 3.219 464 HZ1 LYS 59 3HZ LYS 59 9.747 18.250 1.511 465 HZ2 LYS 59 1HZ LYS 59 10.704 16.942 1.479 466 HZ3 LYS 59 2HZ LYS 59 10.611 17.822 2.861 467 H GLY 60 H GLY 60 6.834 15.501 -1.272 468 HA2 GLY 60 2HA GLY 60 7.250 13.844 -2.719 469 HA3 GLY 60 1HA GLY 60 6.308 12.715 -1.733 470 H HIS 61 H HIS 61 4.914 11.736 -3.267 471 HA HIS 61 HA HIS 61 3.454 13.514 -5.151 472 HB2 HIS 61 1HB HIS 61 4.803 10.875 -5.787 473 HB3 HIS 61 2HB HIS 61 3.888 11.881 -6.906 474 HD1 HIS 61 1HD HIS 61 5.439 14.676 -5.778 475 HD2 HIS 61 2HD HIS 61 7.062 11.033 -7.100 476 HE1 HIS 61 1HE HIS 61 7.781 15.202 -6.537 477 H CYS 62 H CYS 62 1.525 12.405 -6.124 478 HA CYS 62 HA CYS 62 0.009 11.301 -3.879 479 HB2 CYS 62 1HB CYS 62 -0.832 12.140 -6.678 480 HB3 CYS 62 2HB CYS 62 -1.916 11.648 -5.371 481 HG CYS 62 HG CYS 62 -2.202 14.127 -5.412 482 H VAL 63 H VAL 63 0.037 9.188 -3.500 483 HA VAL 63 HA VAL 63 1.097 7.373 -5.420 484 HB VAL 63 HB VAL 63 0.103 6.894 -2.601 485 HG11 VAL 63 1HG1 VAL 63 2.140 5.368 -4.259 486 HG12 VAL 63 2HG1 VAL 63 1.758 5.068 -2.533 487 HG13 VAL 63 3HG1 VAL 63 0.533 4.793 -3.776 488 HG21 VAL 63 3HG2 VAL 63 1.770 8.678 -2.486 489 HG22 VAL 63 1HG2 VAL 63 2.500 7.189 -1.904 490 HG23 VAL 63 2HG2 VAL 63 2.868 7.761 -3.539 491 H THR 64 H THR 64 -0.499 7.137 -7.039 492 HA THR 64 HA THR 64 -3.248 6.758 -6.601 493 HB THR 64 HB THR 64 -3.587 6.101 -8.819 494 HG1 THR 64 1HG THR 64 -1.000 5.025 -8.636 495 HG21 THR 64 3HG2 THR 64 -1.098 7.835 -8.871 496 HG22 THR 64 1HG2 THR 64 -2.807 8.317 -8.731 497 HG23 THR 64 2HG2 THR 64 -2.217 7.561 -10.220 498 H GLY 65 H GLY 65 -4.730 4.904 -6.459 499 HA2 GLY 65 2HA GLY 65 -3.631 2.211 -6.333 500 HA3 GLY 65 1HA GLY 65 -3.983 2.930 -4.761 501 H GLU 66 H GLU 66 -5.658 1.420 -4.307 502 HA GLU 66 HA GLU 66 -8.211 1.943 -5.655 503 HB2 GLU 66 1HB GLU 66 -6.736 -0.104 -6.555 504 HB3 GLU 66 2HB GLU 66 -7.299 -0.881 -5.093 505 HG2 GLU 66 1HG GLU 66 -9.111 0.392 -7.170 506 HG3 GLU 66 2HG GLU 66 -8.568 -1.265 -7.253 507 H ILE 67 H ILE 67 -10.049 1.127 -4.279 508 HA ILE 67 HA ILE 67 -9.327 1.146 -1.397 509 HB ILE 67 HB ILE 67 -11.895 2.043 -2.752 510 HG12 ILE 67 1HG1 ILE 67 -9.906 3.821 -1.286 511 HG13 ILE 67 2HG1 ILE 67 -9.820 3.590 -3.029 512 HG21 ILE 67 1HG2 ILE 67 -11.014 2.152 0.175 513 HG22 ILE 67 2HG2 ILE 67 -12.527 2.835 -0.477 514 HG23 ILE 67 3HG2 ILE 67 -12.278 1.100 -0.508 515 HD11 ILE 67 3HD1 ILE 67 -11.048 5.607 -2.601 516 HD12 ILE 67 1HD1 ILE 67 -12.134 4.391 -3.296 517 HD13 ILE 67 2HD1 ILE 67 -12.198 4.746 -1.556 518 H TYR 68 H TYR 68 -9.090 -1.015 -1.125 519 HA TYR 68 HA TYR 68 -11.061 -2.880 -2.317 520 HB2 TYR 68 1HB TYR 68 -8.596 -3.421 -0.642 521 HB3 TYR 68 2HB TYR 68 -9.748 -4.658 -1.135 522 HD1 TYR 68 2HD TYR 68 -10.038 -5.273 -3.540 523 HD2 TYR 68 1HD TYR 68 -7.091 -2.409 -2.293 524 HE1 TYR 68 2HE TYR 68 -8.939 -5.413 -5.790 525 HE2 TYR 68 1HE TYR 68 -5.936 -2.668 -4.491 526 HH TYR 68 HH TYR 68 -6.468 -4.944 -6.776 527 H GLU 69 H GLU 69 -12.799 -3.534 -1.261 528 HA GLU 69 HA GLU 69 -13.341 -2.896 1.573 529 HB2 GLU 69 1HB GLU 69 -15.171 -2.794 -0.117 530 HB3 GLU 69 2HB GLU 69 -14.901 -4.498 -0.519 531 HG2 GLU 69 1HG GLU 69 -15.458 -5.085 1.864 532 HG3 GLU 69 2HG GLU 69 -15.801 -3.386 2.176 533 H VAL 70 H VAL 70 -12.911 -4.344 3.189 534 HA VAL 70 HA VAL 70 -11.929 -7.075 2.560 535 HB VAL 70 HB VAL 70 -9.897 -6.542 3.881 536 HG11 VAL 70 1HG1 VAL 70 -9.774 -6.490 1.409 537 HG12 VAL 70 2HG1 VAL 70 -10.093 -4.752 1.439 538 HG13 VAL 70 3HG1 VAL 70 -8.624 -5.407 2.180 539 HG21 VAL 70 3HG2 VAL 70 -9.206 -4.249 4.237 540 HG22 VAL 70 1HG2 VAL 70 -10.736 -3.625 3.609 541 HG23 VAL 70 2HG2 VAL 70 -10.695 -4.583 5.122 542 H ASP 71 H ASP 71 -11.283 -8.167 4.760 543 HA ASP 71 HA ASP 71 -13.231 -7.379 6.843 544 HB2 ASP 71 1HB ASP 71 -13.841 -9.525 7.204 545 HB3 ASP 71 2HB ASP 71 -13.705 -9.513 5.465 546 H GLU 72 H GLU 72 -12.693 -8.899 8.814 547 HA GLU 72 HA GLU 72 -10.485 -7.857 10.214 548 HB2 GLU 72 1HB GLU 72 -12.704 -9.708 10.625 549 HB3 GLU 72 2HB GLU 72 -11.216 -10.483 11.188 550 HG2 GLU 72 1HG GLU 72 -10.710 -8.556 12.609 551 HG3 GLU 72 2HG GLU 72 -12.160 -7.741 11.997 552 H GLN 73 H GLN 73 -10.887 -11.009 8.451 553 HA GLN 73 HA GLN 73 -8.417 -12.027 9.378 554 HB2 GLN 73 1HB GLN 73 -10.478 -13.270 8.454 555 HB3 GLN 73 2HB GLN 73 -9.837 -12.894 6.862 556 HG2 GLN 73 1HG GLN 73 -9.078 -15.093 7.423 557 HG3 GLN 73 2HG GLN 73 -7.665 -14.050 7.593 558 HE21 GLN 73 1HE2 GLN 73 -6.627 -14.053 9.674 559 HE22 GLN 73 2HE2 GLN 73 -7.314 -14.843 11.082 560 H MET 74 H MET 74 -9.332 -10.195 6.365 561 HA MET 74 HA MET 74 -6.719 -10.392 5.209 562 HB2 MET 74 1HB MET 74 -8.688 -9.696 3.962 563 HB3 MET 74 2HB MET 74 -8.905 -8.288 4.955 564 HG2 MET 74 1HG MET 74 -7.917 -7.718 2.801 565 HG3 MET 74 2HG MET 74 -6.861 -7.275 4.121 566 HE1 MET 74 3HE MET 74 -6.215 -10.884 1.333 567 HE2 MET 74 1HE MET 74 -7.337 -10.909 2.714 568 HE3 MET 74 2HE MET 74 -7.650 -9.813 1.361 569 H LEU 75 H LEU 75 -8.167 -8.005 7.470 570 HA LEU 75 HA LEU 75 -5.798 -6.346 7.453 571 HB2 LEU 75 1HB LEU 75 -8.198 -5.794 8.407 572 HB3 LEU 75 2HB LEU 75 -7.605 -6.521 9.874 573 HG LEU 75 HG LEU 75 -5.761 -4.937 10.050 574 HD11 LEU 75 1HD1 LEU 75 -5.599 -2.914 8.611 575 HD12 LEU 75 2HD1 LEU 75 -6.760 -3.634 7.482 576 HD13 LEU 75 3HD1 LEU 75 -5.158 -4.377 7.754 577 HD21 LEU 75 3HD2 LEU 75 -8.368 -3.482 9.442 578 HD22 LEU 75 1HD2 LEU 75 -7.035 -2.897 10.475 579 HD23 LEU 75 2HD2 LEU 75 -7.964 -4.326 10.970 580 H ARG 76 H ARG 76 -6.764 -8.988 9.560 581 HA ARG 76 HA ARG 76 -4.537 -8.995 11.375 582 HB2 ARG 76 1HB ARG 76 -6.333 -11.197 10.293 583 HB3 ARG 76 2HB ARG 76 -5.099 -11.483 11.512 584 HG2 ARG 76 1HG ARG 76 -6.214 -10.036 13.102 585 HG3 ARG 76 2HG ARG 76 -7.439 -9.540 11.909 586 HD2 ARG 76 1HD ARG 76 -8.096 -11.943 11.634 587 HD3 ARG 76 2HD ARG 76 -6.918 -12.380 12.866 588 HE ARG 76 HE ARG 76 -9.115 -10.471 13.462 589 HH11 ARG 76 1HH1 ARG 76 -7.528 -13.558 14.292 590 HH12 ARG 76 2HH1 ARG 76 -8.771 -14.026 15.409 591 HH21 ARG 76 1HH2 ARG 76 -10.668 -11.053 15.059 592 HH22 ARG 76 2HH2 ARG 76 -10.517 -12.531 15.900 593 H PHE 77 H PHE 77 -5.023 -10.473 8.131 594 HA PHE 77 HA PHE 77 -2.630 -11.964 8.167 595 HB2 PHE 77 1HB PHE 77 -4.330 -12.524 6.560 596 HB3 PHE 77 2HB PHE 77 -4.357 -10.906 5.901 597 HD1 PHE 77 1HD PHE 77 -1.856 -13.665 6.505 598 HD2 PHE 77 2HD PHE 77 -3.234 -10.509 3.930 599 HE1 PHE 77 1HE PHE 77 -0.015 -14.154 4.946 600 HE2 PHE 77 2HE PHE 77 -1.394 -10.999 2.355 601 HZ PHE 77 HZ PHE 77 0.223 -12.824 2.816 602 H LEU 78 H LEU 78 -3.345 -8.799 6.628 603 HA LEU 78 HA LEU 78 -0.724 -8.111 5.881 604 HB2 LEU 78 1HB LEU 78 -3.179 -6.546 6.704 605 HB3 LEU 78 2HB LEU 78 -1.662 -5.689 6.509 606 HG LEU 78 HG LEU 78 -1.493 -6.028 4.243 607 HD11 LEU 78 1HD1 LEU 78 -3.659 -8.152 4.366 608 HD12 LEU 78 2HD1 LEU 78 -1.943 -8.404 3.984 609 HD13 LEU 78 3HD1 LEU 78 -2.952 -7.464 2.883 610 HD21 LEU 78 3HD2 LEU 78 -3.630 -5.224 3.334 611 HD22 LEU 78 1HD2 LEU 78 -3.333 -4.468 4.920 612 HD23 LEU 78 2HD2 LEU 78 -4.488 -5.820 4.770 613 H ASP 79 H ASP 79 -2.227 -7.821 9.131 614 HA ASP 79 HA ASP 79 -0.186 -6.284 10.357 615 HB2 ASP 79 1HB ASP 79 -2.557 -7.126 11.215 616 HB3 ASP 79 2HB ASP 79 -1.612 -8.435 11.910 617 H ASP 80 H ASP 80 -0.527 -9.759 9.909 618 HA ASP 80 HA ASP 80 1.942 -10.411 11.314 619 HB2 ASP 80 1HB ASP 80 -0.216 -11.728 11.379 620 HB3 ASP 80 2HB ASP 80 -0.062 -12.054 9.659 621 H PHE 81 H PHE 81 0.957 -10.000 7.992 622 HA PHE 81 HA PHE 81 3.219 -11.488 6.890 623 HB2 PHE 81 1HB PHE 81 0.936 -11.588 5.945 624 HB3 PHE 81 2HB PHE 81 0.998 -9.878 5.577 625 HD1 PHE 81 2HD PHE 81 2.634 -13.165 4.768 626 HD2 PHE 81 1HD PHE 81 2.018 -9.077 3.602 627 HE1 PHE 81 2HE PHE 81 3.578 -13.657 2.513 628 HE2 PHE 81 1HE PHE 81 2.970 -9.551 1.363 629 HZ PHE 81 HZ PHE 81 3.750 -11.869 0.813 630 H GLU 82 H GLU 82 2.232 -8.025 7.135 631 HA GLU 82 HA GLU 82 4.601 -7.192 5.574 632 HB2 GLU 82 1HB GLU 82 2.662 -5.413 7.062 633 HB3 GLU 82 2HB GLU 82 3.796 -4.956 5.793 634 HG2 GLU 82 1HG GLU 82 1.250 -6.553 5.489 635 HG3 GLU 82 2HG GLU 82 1.532 -4.913 4.958 636 H ASP 83 H ASP 83 4.312 -8.453 8.547 637 HA ASP 83 HA ASP 83 5.550 -8.475 10.420 638 HB2 ASP 83 1HB ASP 83 7.373 -8.005 8.269 639 HB3 ASP 83 2HB ASP 83 7.906 -7.008 9.583 640 H CYS 84 H CYS 84 3.662 -6.366 10.321 641 HA CYS 84 HA CYS 84 4.992 -3.986 11.517 642 HB2 CYS 84 1HB CYS 84 2.968 -2.867 11.440 643 HB3 CYS 84 2HB CYS 84 2.932 -3.832 9.956 644 HG CYS 84 HG CYS 84 0.604 -3.485 11.433 645 HA PRO 85 HA PRO 85 3.781 -2.415 13.260 646 HB2 PRO 85 1HB PRO 85 4.512 -1.609 15.713 647 HB3 PRO 85 2HB PRO 85 2.844 -2.137 15.322 648 HG2 PRO 85 1HG PRO 85 5.042 -3.720 16.678 649 HG3 PRO 85 2HG PRO 85 3.299 -3.633 17.106 650 HD2 PRO 85 1HD PRO 85 4.389 -5.674 15.637 651 HD3 PRO 85 2HD PRO 85 2.699 -5.119 15.442 652 H SER 86 H SER 86 6.313 -4.635 13.810 653 HA SER 86 HA SER 86 8.547 -3.075 14.393 654 HB2 SER 86 1HB SER 86 8.468 -5.572 12.690 655 HB3 SER 86 2HB SER 86 9.766 -5.019 13.769 656 HG SER 86 HG SER 86 7.612 -6.502 14.419 657 H MET 87 H MET 87 7.531 -4.331 11.161 658 HA MET 87 HA MET 87 9.447 -2.543 9.853 659 HB2 MET 87 1HB MET 87 7.451 -4.635 8.937 660 HB3 MET 87 2HB MET 87 8.145 -3.462 7.831 661 HG2 MET 87 1HG MET 87 10.391 -4.254 8.966 662 HG3 MET 87 2HG MET 87 9.504 -5.754 9.085 663 HE1 MET 87 3HE MET 87 8.646 -6.079 5.103 664 HE2 MET 87 1HE MET 87 8.305 -6.795 6.686 665 HE3 MET 87 2HE MET 87 7.671 -5.181 6.282 666 H TYR 88 H TYR 88 6.026 -2.918 9.003 667 HA TYR 88 HA TYR 88 5.794 -0.015 8.533 668 HB2 TYR 88 1HB TYR 88 3.977 -2.404 7.997 669 HB3 TYR 88 2HB TYR 88 3.524 -0.746 7.636 670 HD1 TYR 88 1HD TYR 88 4.530 0.492 5.772 671 HD2 TYR 88 2HD TYR 88 5.693 -3.570 6.615 672 HE1 TYR 88 1HE TYR 88 5.708 0.375 3.604 673 HE2 TYR 88 2HE TYR 88 6.965 -3.658 4.508 674 HH TYR 88 HH TYR 88 7.019 -0.870 2.197 675 H GLN 89 H GLN 89 3.489 0.852 9.262 676 HA GLN 89 HA GLN 89 2.378 -0.399 11.658 677 HB2 GLN 89 1HB GLN 89 2.968 2.600 11.529 678 HB3 GLN 89 2HB GLN 89 1.942 1.797 12.710 679 HG2 GLN 89 1HG GLN 89 3.785 1.874 13.996 680 HG3 GLN 89 2HG GLN 89 4.185 0.380 13.182 681 HE21 GLN 89 1HE2 GLN 89 6.220 0.346 12.192 682 HE22 GLN 89 2HE2 GLN 89 7.184 1.742 11.832 683 H ARG 90 H ARG 90 0.151 -0.380 11.475 684 HA ARG 90 HA ARG 90 -1.075 0.646 9.037 685 HB2 ARG 90 1HB ARG 90 -1.820 -1.414 10.135 686 HB3 ARG 90 2HB ARG 90 -2.260 -0.539 11.586 687 HG2 ARG 90 1HG ARG 90 -3.483 0.183 8.892 688 HG3 ARG 90 2HG ARG 90 -4.076 -1.194 9.788 689 HD2 ARG 90 1HD ARG 90 -4.157 1.692 10.753 690 HD3 ARG 90 2HD ARG 90 -5.500 0.673 10.223 691 HE ARG 90 HE ARG 90 -4.051 -0.575 12.364 692 HH11 ARG 90 1HH1 ARG 90 -6.784 1.577 11.688 693 HH12 ARG 90 2HH1 ARG 90 -7.478 1.384 13.259 694 HH21 ARG 90 1HH2 ARG 90 -4.914 -0.845 14.317 695 HH22 ARG 90 2HH2 ARG 90 -6.427 -0.132 14.793 696 H THR 91 H THR 91 -2.029 2.592 8.769 697 HA THR 91 HA THR 91 -2.603 4.374 11.063 698 HB THR 91 HB THR 91 -1.276 5.224 8.455 699 HG1 THR 91 1HG THR 91 0.542 4.664 9.278 700 HG21 THR 91 3HG2 THR 91 -0.498 7.176 9.812 701 HG22 THR 91 1HG2 THR 91 -1.547 6.633 11.141 702 HG23 THR 91 2HG2 THR 91 -2.229 7.159 9.580 703 H ALA 92 H ALA 92 -3.897 6.312 10.078 704 HA ALA 92 HA ALA 92 -5.897 5.525 7.982 705 HB1 ALA 92 1HB ALA 92 -6.634 5.563 10.445 706 HB2 ALA 92 2HB ALA 92 -6.325 7.316 10.388 707 HB3 ALA 92 3HB ALA 92 -7.531 6.562 9.317 708 H LEU 93 H LEU 93 -6.183 6.849 6.364 709 HA LEU 93 HA LEU 93 -5.168 9.626 6.418 710 HB2 LEU 93 1HB LEU 93 -3.752 9.423 4.609 711 HB3 LEU 93 2HB LEU 93 -3.400 8.040 5.585 712 HG LEU 93 HG LEU 93 -3.258 7.130 3.516 713 HD11 LEU 93 1HD1 LEU 93 -5.257 5.782 2.910 714 HD12 LEU 93 2HD1 LEU 93 -6.270 6.707 3.978 715 HD13 LEU 93 3HD1 LEU 93 -4.966 5.732 4.665 716 HD21 LEU 93 3HD2 LEU 93 -4.353 7.630 1.565 717 HD22 LEU 93 1HD2 LEU 93 -3.941 9.171 2.331 718 HD23 LEU 93 2HD2 LEU 93 -5.597 8.560 2.393 719 H GLN 94 H GLN 94 -5.746 10.506 3.946 720 HA GLN 94 HA GLN 94 -8.664 9.957 3.596 721 HB2 GLN 94 1HB GLN 94 -8.114 12.194 4.576 722 HB3 GLN 94 2HB GLN 94 -7.159 12.552 3.143 723 HG2 GLN 94 1HG GLN 94 -9.055 13.492 2.376 724 HG3 GLN 94 2HG GLN 94 -9.525 11.879 1.931 725 HE21 GLN 94 1HE2 GLN 94 -11.521 11.253 2.681 726 HE22 GLN 94 2HE2 GLN 94 -12.466 12.227 3.796 727 H VAL 95 H VAL 95 -9.250 9.226 1.616 728 HA VAL 95 HA VAL 95 -7.338 9.385 -0.669 729 HB VAL 95 HB VAL 95 -9.088 7.119 0.325 730 HG11 VAL 95 1HG1 VAL 95 -9.244 7.151 -2.146 731 HG12 VAL 95 2HG1 VAL 95 -7.471 6.982 -2.230 732 HG13 VAL 95 3HG1 VAL 95 -8.468 5.723 -1.496 733 HG21 VAL 95 3HG2 VAL 95 -6.061 7.328 -0.120 734 HG22 VAL 95 1HG2 VAL 95 -6.914 7.192 1.441 735 HG23 VAL 95 2HG2 VAL 95 -6.920 5.841 0.350 736 H GLN 96 H GLN 96 -8.346 9.755 -2.693 737 HA GLN 96 HA GLN 96 -11.124 10.808 -2.580 738 HB2 GLN 96 1HB GLN 96 -9.714 12.350 -3.679 739 HB3 GLN 96 2HB GLN 96 -8.864 11.040 -4.560 740 HG2 GLN 96 1HG GLN 96 -10.821 10.650 -5.886 741 HG3 GLN 96 2HG GLN 96 -11.753 11.813 -4.984 742 HE21 GLN 96 1HE2 GLN 96 -11.992 13.644 -5.904 743 HE22 GLN 96 2HE2 GLN 96 -10.860 14.501 -6.962 744 H VAL 97 H VAL 97 -12.715 9.781 -3.585 745 HA VAL 97 HA VAL 97 -12.492 7.052 -4.640 746 HB VAL 97 HB VAL 97 -14.765 9.051 -4.120 747 HG11 VAL 97 1HG1 VAL 97 -15.054 6.099 -4.724 748 HG12 VAL 97 2HG1 VAL 97 -16.344 7.285 -4.418 749 HG13 VAL 97 3HG1 VAL 97 -15.387 7.398 -5.898 750 HG21 VAL 97 3HG2 VAL 97 -15.350 7.527 -2.245 751 HG22 VAL 97 1HG2 VAL 97 -13.879 6.584 -2.560 752 HG23 VAL 97 2HG2 VAL 97 -13.769 8.280 -2.022 753 H LEU 98 H LEU 98 -11.438 7.202 -6.586 754 HA LEU 98 HA LEU 98 -12.042 9.315 -8.553 755 HB2 LEU 98 1HB LEU 98 -10.077 7.084 -8.306 756 HB3 LEU 98 2HB LEU 98 -10.752 7.266 -9.905 757 HG LEU 98 HG LEU 98 -10.128 9.789 -9.721 758 HD11 LEU 98 1HD1 LEU 98 -9.569 9.817 -7.314 759 HD12 LEU 98 2HD1 LEU 98 -8.177 10.232 -8.280 760 HD13 LEU 98 3HD1 LEU 98 -8.273 8.598 -7.608 761 HD21 LEU 98 3HD2 LEU 98 -7.989 7.613 -9.901 762 HD22 LEU 98 1HD2 LEU 98 -7.826 9.288 -10.491 763 HD23 LEU 98 2HD2 LEU 98 -9.024 8.211 -11.217 764 H GLU 99 H GLU 99 -13.050 5.977 -7.710 765 HA GLU 99 HA GLU 99 -15.453 6.363 -9.250 766 HB2 GLU 99 1HB GLU 99 -13.781 5.189 -10.814 767 HB3 GLU 99 2HB GLU 99 -13.831 3.848 -9.675 768 HG2 GLU 99 1HG GLU 99 -16.362 3.754 -10.108 769 HG3 GLU 99 2HG GLU 99 -16.102 4.984 -11.352 770 H TRP 100 H TRP 100 -16.993 4.535 -8.454 771 HA TRP 100 HA TRP 100 -16.236 3.231 -5.932 772 HB2 TRP 100 1HB TRP 100 -17.266 5.393 -5.249 773 HB3 TRP 100 2HB TRP 100 -18.697 5.024 -6.190 774 HD1 TRP 100 HD TRP 100 -20.530 3.575 -5.002 775 HE1 TRP 100 1HE TRP 100 -20.735 2.357 -2.773 776 HE3 TRP 100 3HE TRP 100 -15.716 4.141 -3.282 777 HZ2 TRP 100 2HZ TRP 100 -19.085 1.722 -0.538 778 HZ3 TRP 100 3HZ TRP 100 -15.058 3.185 -1.120 779 HH2 TRP 100 HH TRP 100 -16.737 1.943 0.288 780 H GLU 101 H GLU 101 -16.933 1.122 -6.146 781 HA GLU 101 HA GLU 101 -18.887 0.441 -8.224 782 HB2 GLU 101 1HB GLU 101 -17.500 -1.303 -6.137 783 HB3 GLU 101 2HB GLU 101 -18.572 -1.881 -7.413 784 HG2 GLU 101 1HG GLU 101 -15.848 -0.581 -7.760 785 HG3 GLU 101 2HG GLU 101 -16.306 -2.271 -8.014 786 H GLY 102 H GLY 102 -20.909 0.975 -7.751 787 HA2 GLY 102 2HA GLY 102 -22.940 -0.073 -7.088 788 HA3 GLY 102 1HA GLY 102 -22.018 -0.992 -5.911 789 H ASP 103 H ASP 103 -23.556 -0.744 -4.435 790 HA ASP 103 HA ASP 103 -24.952 1.519 -3.671 791 HB2 ASP 103 1HB ASP 103 -25.201 -1.056 -3.263 792 HB3 ASP 103 2HB ASP 103 -24.304 -0.746 -1.788 793 H GLY 104 H GLY 104 -24.977 2.577 -1.577 794 HA2 GLY 104 2HA GLY 104 -24.077 3.830 0.139 795 HA3 GLY 104 1HA GLY 104 -23.076 2.413 0.407 796 H ASP 105 H ASP 105 -23.307 5.253 -1.687 797 HA ASP 105 HA ASP 105 -20.530 5.435 -2.325 798 HB2 ASP 105 1HB ASP 105 -22.257 5.637 -3.996 799 HB3 ASP 105 2HB ASP 105 -22.990 6.987 -3.102 800 HA PRO 106 HA PRO 106 -20.522 8.064 1.498 801 HB2 PRO 106 1HB PRO 106 -17.729 8.221 1.769 802 HB3 PRO 106 2HB PRO 106 -18.766 6.882 2.321 803 HG2 PRO 106 1HG PRO 106 -17.272 7.135 -0.312 804 HG3 PRO 106 2HG PRO 106 -17.256 5.761 0.855 805 HD2 PRO 106 1HD PRO 106 -18.785 5.678 -1.299 806 HD3 PRO 106 2HD PRO 106 -19.424 5.140 0.292 807 H GLY 107 H GLY 107 -18.995 8.869 -1.635 808 HA2 GLY 107 2HA GLY 107 -19.472 11.246 -2.299 809 HA3 GLY 107 1HA GLY 107 -18.752 11.715 -0.764 810 H ASP 108 H ASP 108 -17.520 12.827 -2.725 811 HA ASP 108 HA ASP 108 -15.794 11.294 -4.356 812 HB2 ASP 108 1HB ASP 108 -16.552 13.686 -4.727 813 HB3 ASP 108 2HB ASP 108 -15.394 14.155 -3.472 814 H SER 109 H SER 109 -15.364 12.131 -0.921 815 HA SER 109 HA SER 109 -12.795 10.754 -1.209 816 HB2 SER 109 1HB SER 109 -11.779 12.139 0.564 817 HB3 SER 109 2HB SER 109 -12.023 12.967 -0.968 818 HG SER 109 HG SER 109 -13.759 13.205 1.303 819 H VAL 110 H VAL 110 -12.061 9.660 0.649 820 HA VAL 110 HA VAL 110 -14.050 9.121 2.762 821 HB VAL 110 HB VAL 110 -13.689 6.720 2.513 822 HG11 VAL 110 1HG1 VAL 110 -14.794 7.963 0.014 823 HG12 VAL 110 2HG1 VAL 110 -14.992 6.278 0.535 824 HG13 VAL 110 3HG1 VAL 110 -15.609 7.607 1.542 825 HG21 VAL 110 3HG2 VAL 110 -12.228 7.344 -0.113 826 HG22 VAL 110 1HG2 VAL 110 -11.451 6.709 1.354 827 HG23 VAL 110 2HG2 VAL 110 -12.647 5.735 0.498 828 H GLN 111 H GLN 111 -12.932 7.695 4.458 829 HA GLN 111 HA GLN 111 -10.004 8.117 4.513 830 HB2 GLN 111 1HB GLN 111 -10.764 9.291 6.389 831 HB3 GLN 111 2HB GLN 111 -11.995 8.090 6.797 832 HG2 GLN 111 1HG GLN 111 -10.524 6.674 7.784 833 HG3 GLN 111 2HG GLN 111 -9.127 7.181 6.848 834 HE21 GLN 111 1HE2 GLN 111 -7.651 8.474 7.749 835 HE22 GLN 111 2HE2 GLN 111 -7.901 9.317 9.290 836 H CYS 112 H CYS 112 -8.853 6.255 5.175 837 HA CYS 112 HA CYS 112 -10.013 3.622 5.219 838 HB2 CYS 112 1HB CYS 112 -8.123 3.229 3.225 839 HB3 CYS 112 2HB CYS 112 -9.876 3.306 2.957 840 HG CYS 112 HG CYS 112 -7.588 5.680 2.918 841 H PHE 113 H PHE 113 -8.242 2.009 5.563 842 HA PHE 113 HA PHE 113 -6.062 3.217 7.156 843 HB2 PHE 113 1HB PHE 113 -6.876 0.321 6.869 844 HB3 PHE 113 2HB PHE 113 -5.579 0.879 7.874 845 HD1 PHE 113 2HD PHE 113 -6.615 3.203 9.312 846 HD2 PHE 113 1HD PHE 113 -8.572 -0.510 8.273 847 HE1 PHE 113 2HE PHE 113 -8.202 3.504 11.196 848 HE2 PHE 113 1HE PHE 113 -10.174 -0.169 10.126 849 HZ PHE 113 HZ PHE 113 -10.022 1.841 11.565 850 H VAL 114 H VAL 114 -3.907 2.623 6.763 851 HA VAL 114 HA VAL 114 -3.125 1.391 4.244 852 HB VAL 114 HB VAL 114 -2.579 4.286 5.064 853 HG11 VAL 114 1HG1 VAL 114 -0.847 4.478 3.339 854 HG12 VAL 114 2HG1 VAL 114 -0.341 3.325 4.576 855 HG13 VAL 114 3HG1 VAL 114 -0.891 2.724 3.060 856 HG21 VAL 114 3HG2 VAL 114 -4.428 3.786 3.448 857 HG22 VAL 114 1HG2 VAL 114 -3.122 4.738 2.699 858 HG23 VAL 114 2HG2 VAL 114 -3.272 3.006 2.383 859 H TYR 115 H TYR 115 -0.938 0.581 4.433 860 HA TYR 115 HA TYR 115 0.169 0.507 7.208 861 HB2 TYR 115 1HB TYR 115 0.454 -1.305 4.819 862 HB3 TYR 115 2HB TYR 115 1.737 -1.195 6.011 863 HD1 TYR 115 2HD TYR 115 -2.045 -1.185 6.459 864 HD2 TYR 115 1HD TYR 115 1.702 -3.195 7.262 865 HE1 TYR 115 2HE TYR 115 -3.212 -2.760 7.902 866 HE2 TYR 115 1HE TYR 115 0.526 -4.777 8.730 867 HH TYR 115 HH TYR 115 -1.663 -5.585 9.330 868 H THR 116 H THR 116 1.322 2.287 7.525 869 HA THR 116 HA THR 116 3.074 3.349 5.367 870 HB THR 116 HB THR 116 2.982 5.484 6.675 871 HG1 THR 116 1HG THR 116 2.468 4.519 8.702 872 HG21 THR 116 3HG2 THR 116 0.139 4.648 6.200 873 HG22 THR 116 1HG2 THR 116 1.293 4.933 4.855 874 HG23 THR 116 2HG2 THR 116 0.890 6.223 5.995 875 H THR 117 H THR 117 4.898 4.708 6.867 876 HA THR 117 HA THR 117 5.411 3.271 9.358 877 HB THR 117 HB THR 117 7.032 2.168 8.007 878 HG1 THR 117 1HG THR 117 8.878 2.816 8.968 879 HG21 THR 117 3HG2 THR 117 8.718 3.393 6.635 880 HG22 THR 117 1HG2 THR 117 7.808 4.902 6.903 881 HG23 THR 117 2HG2 THR 117 7.076 3.558 6.000 882 H ALA 118 H ALA 118 6.407 4.675 10.863 883 HA ALA 118 HA ALA 118 6.581 7.553 10.120 884 HB1 ALA 118 1HB ALA 118 5.629 6.368 12.749 885 HB2 ALA 118 2HB ALA 118 5.730 8.096 12.328 886 HB3 ALA 118 3HB ALA 118 4.565 7.064 11.494 887 H THR 119 H THR 119 8.425 4.880 10.733 888 HA THR 119 HA THR 119 10.439 6.374 12.306 889 HB THR 119 HB THR 119 9.259 5.042 13.863 890 HG1 THR 119 1HG THR 119 11.422 3.362 13.478 891 HG21 THR 119 3HG2 THR 119 9.104 2.563 13.733 892 HG22 THR 119 1HG2 THR 119 9.636 2.647 12.038 893 HG23 THR 119 2HG2 THR 119 8.116 3.414 12.541 894 H TYR 120 H TYR 120 10.705 6.637 9.833 895 HA TYR 120 HA TYR 120 12.079 4.555 8.360 896 HB2 TYR 120 1HB TYR 120 12.621 6.661 6.925 897 HB3 TYR 120 2HB TYR 120 10.962 6.097 7.027 898 HD1 TYR 120 1HD TYR 120 13.291 8.791 8.045 899 HD2 TYR 120 2HD TYR 120 9.225 7.357 8.204 900 HE1 TYR 120 1HE TYR 120 12.544 11.001 8.884 901 HE2 TYR 120 2HE TYR 120 8.472 9.564 9.044 902 HH TYR 120 HH TYR 120 9.302 11.604 10.074 903 H ALA 121 H ALA 121 14.349 4.622 7.790 904 HA ALA 121 HA ALA 121 16.209 5.668 9.798 905 HB1 ALA 121 1HB ALA 121 16.730 4.634 6.975 906 HB2 ALA 121 2HB ALA 121 17.934 4.881 8.245 907 HB3 ALA 121 3HB ALA 121 16.709 3.614 8.433 908 HA PRO 122 HA PRO 122 16.039 9.697 8.304 909 HB2 PRO 122 1HB PRO 122 18.594 10.758 8.571 910 HB3 PRO 122 2HB PRO 122 17.485 10.427 9.933 911 HG2 PRO 122 1HG PRO 122 19.709 8.676 8.856 912 HG3 PRO 122 2HG PRO 122 19.363 9.077 10.556 913 HD2 PRO 122 1HD PRO 122 18.547 6.734 9.478 914 HD3 PRO 122 2HD PRO 122 17.480 7.624 10.611 915 H GLU 123 H GLU 123 18.734 7.913 6.757 916 HA GLU 123 HA GLU 123 19.003 9.579 4.496 917 HB2 GLU 123 1HB GLU 123 19.857 7.497 3.364 918 HB3 GLU 123 2HB GLU 123 20.680 7.951 4.843 919 HG2 GLU 123 1HG GLU 123 18.386 6.084 5.275 920 HG3 GLU 123 2HG GLU 123 19.687 5.426 4.257 921 H TRP 124 H TRP 124 16.281 7.374 5.150 922 HA TRP 124 HA TRP 124 15.580 7.000 2.530 923 HB2 TRP 124 1HB TRP 124 13.925 7.030 5.041 924 HB3 TRP 124 2HB TRP 124 13.400 6.410 3.495 925 HD1 TRP 124 HD TRP 124 16.847 5.324 3.477 926 HE1 TRP 124 1HE TRP 124 17.154 2.978 4.251 927 HE3 TRP 124 3HE TRP 124 12.256 4.644 5.585 928 HZ2 TRP 124 2HZ TRP 124 15.616 0.961 5.700 929 HZ3 TRP 124 3HZ TRP 124 11.693 2.466 6.656 930 HH2 TRP 124 HH TRP 124 13.366 0.636 6.718 931 H LEU 125 H LEU 125 15.469 9.876 4.364 932 HA LEU 125 HA LEU 125 13.361 11.256 2.904 933 HB2 LEU 125 1HB LEU 125 15.667 12.281 4.588 934 HB3 LEU 125 2HB LEU 125 14.334 13.267 4.025 935 HG LEU 125 HG LEU 125 13.957 10.868 5.889 936 HD11 LEU 125 1HD1 LEU 125 14.293 13.825 6.508 937 HD12 LEU 125 2HD1 LEU 125 15.348 12.477 6.992 938 HD13 LEU 125 3HD1 LEU 125 13.704 12.607 7.653 939 HD21 LEU 125 3HD2 LEU 125 12.087 13.191 5.216 940 HD22 LEU 125 1HD2 LEU 125 11.753 11.894 6.370 941 HD23 LEU 125 2HD2 LEU 125 11.921 11.510 4.651 942 H PHE 126 H PHE 126 16.282 10.077 1.738 943 HA PHE 126 HA PHE 126 16.679 12.350 -0.152 944 HB2 PHE 126 1HB PHE 126 18.466 10.096 0.785 945 HB3 PHE 126 2HB PHE 126 18.868 11.070 -0.567 946 HD1 PHE 126 1HD PHE 126 18.444 13.847 0.129 947 HD2 PHE 126 2HD PHE 126 19.563 10.628 2.761 948 HE1 PHE 126 1HE PHE 126 19.386 15.476 1.734 949 HE2 PHE 126 2HE PHE 126 20.575 12.258 4.335 950 HZ PHE 126 HZ PHE 126 20.457 14.699 3.836 951 H LEU 127 H LEU 127 15.325 9.261 0.018 952 HA LEU 127 HA LEU 127 16.124 8.032 -2.447 953 HB2 LEU 127 1HB LEU 127 13.884 7.857 -0.466 954 HB3 LEU 127 2HB LEU 127 13.852 6.824 -1.883 955 HG LEU 127 HG LEU 127 14.710 5.916 0.450 956 HD11 LEU 127 1HD1 LEU 127 16.496 5.613 -2.040 957 HD12 LEU 127 2HD1 LEU 127 14.960 4.718 -1.826 958 HD13 LEU 127 3HD1 LEU 127 16.324 4.436 -0.717 959 HD21 LEU 127 3HD2 LEU 127 16.912 5.987 0.942 960 HD22 LEU 127 1HD2 LEU 127 16.266 7.663 0.821 961 HD23 LEU 127 2HD2 LEU 127 17.324 7.037 -0.452 962 HA PRO 128 HA PRO 128 13.450 10.507 -5.083 963 HB2 PRO 128 1HB PRO 128 12.838 8.792 -7.134 964 HB3 PRO 128 2HB PRO 128 14.452 9.537 -6.943 965 HG2 PRO 128 1HG PRO 128 13.564 6.777 -6.082 966 HG3 PRO 128 2HG PRO 128 15.045 7.238 -6.958 967 HD2 PRO 128 1HD PRO 128 15.053 6.843 -4.259 968 HD3 PRO 128 2HD PRO 128 16.058 8.114 -5.021 969 H TYR 129 H TYR 129 11.192 10.739 -5.510 970 HA TYR 129 HA TYR 129 9.434 8.958 -3.869 971 HB2 TYR 129 1HB TYR 129 8.979 11.618 -5.175 972 HB3 TYR 129 2HB TYR 129 7.780 10.758 -4.224 973 HD1 TYR 129 1HD TYR 129 9.644 9.829 -1.963 974 HD2 TYR 129 2HD TYR 129 9.213 13.640 -3.962 975 HE1 TYR 129 1HE TYR 129 10.587 10.972 0.015 976 HE2 TYR 129 2HE TYR 129 10.138 14.777 -1.985 977 HH TYR 129 HH TYR 129 11.138 14.490 0.061 978 H HIS 130 H HIS 130 7.645 7.999 -4.731 979 HA HIS 130 HA HIS 130 7.502 7.821 -7.715 980 HB2 HIS 130 1HB HIS 130 7.013 5.693 -5.594 981 HB3 HIS 130 2HB HIS 130 6.725 5.470 -7.296 982 HD1 HIS 130 1HD HIS 130 8.816 4.719 -8.756 983 HD2 HIS 130 2HD HIS 130 9.741 6.142 -4.889 984 HE1 HIS 130 1HE HIS 130 11.281 4.243 -8.374 985 H GLU 131 H GLU 131 5.564 8.076 -8.629 986 HA GLU 131 HA GLU 131 3.394 9.218 -6.961 987 HB2 GLU 131 1HB GLU 131 4.373 10.036 -9.281 988 HB3 GLU 131 2HB GLU 131 3.338 8.783 -9.958 989 HG2 GLU 131 1HG GLU 131 1.517 10.003 -8.311 990 HG3 GLU 131 2HG GLU 131 2.601 11.355 -8.588 991 H SER 132 H SER 132 4.332 6.223 -8.363 992 HA SER 132 HA SER 132 2.286 4.977 -6.918 993 HB2 SER 132 1HB SER 132 1.169 5.632 -9.289 994 HB3 SER 132 2HB SER 132 2.056 4.212 -9.842 995 HG SER 132 HG SER 132 0.760 3.689 -7.488 996 H TYR 133 H TYR 133 2.819 2.802 -6.634 997 HA TYR 133 HA TYR 133 5.472 1.946 -7.633 998 HB2 TYR 133 1HB TYR 133 5.014 1.764 -5.246 999 HB3 TYR 133 2HB TYR 133 3.521 0.905 -5.539 1000 HD1 TYR 133 1HD TYR 133 6.959 0.375 -7.048 1001 HD2 TYR 133 2HD TYR 133 3.893 -1.145 -4.430 1002 HE1 TYR 133 1HE TYR 133 8.337 -1.566 -6.593 1003 HE2 TYR 133 2HE TYR 133 5.296 -3.125 -3.953 1004 HH TYR 133 HH TYR 133 8.694 -3.106 -4.935 1005 H ASP 134 H ASP 134 5.673 0.033 -8.864 1006 HA ASP 134 HA ASP 134 3.435 -1.653 -9.382 1007 HB2 ASP 134 1HB ASP 134 3.628 -1.611 -11.768 1008 HB3 ASP 134 2HB ASP 134 3.216 0.033 -11.229 1009 H SER 135 H SER 135 4.114 -3.604 -10.489 1010 HA SER 135 HA SER 135 6.749 -4.546 -9.658 1011 HB2 SER 135 1HB SER 135 5.608 -6.737 -10.333 1012 HB3 SER 135 2HB SER 135 4.899 -5.876 -8.991 1013 HG SER 135 HG SER 135 3.812 -6.561 -11.291 1014 H GLU 136 H GLU 136 5.698 -3.031 -12.433 1015 HA GLU 136 HA GLU 136 7.259 -4.717 -14.326 1016 HB2 GLU 136 1HB GLU 136 4.341 -3.873 -14.589 1017 HB3 GLU 136 2HB GLU 136 5.312 -4.608 -15.887 1018 HG2 GLU 136 1HG GLU 136 5.721 -6.613 -14.473 1019 HG3 GLU 136 2HG GLU 136 4.719 -5.881 -13.213 1020 H GLY 137 H GLY 137 7.528 -2.010 -12.947 1021 HA2 GLY 137 2HA GLY 137 6.940 -0.055 -14.957 1022 HA3 GLY 137 1HA GLY 137 7.597 0.214 -13.361 1023 HA PRO 138 HA PRO 138 11.165 0.988 -16.251 1024 HB2 PRO 138 1HB PRO 138 11.443 3.650 -15.744 1025 HB3 PRO 138 2HB PRO 138 10.432 3.005 -17.068 1026 HG2 PRO 138 1HG PRO 138 9.563 3.934 -14.323 1027 HG3 PRO 138 2HG PRO 138 8.829 4.304 -15.917 1028 HD2 PRO 138 1HD PRO 138 7.870 2.339 -14.253 1029 HD3 PRO 138 2HD PRO 138 7.800 2.204 -16.031 1030 H HIS 139 H HIS 139 10.037 1.686 -12.989 1031 HA HIS 139 HA HIS 139 12.601 2.124 -11.795 1032 HB2 HIS 139 1HB HIS 139 10.066 1.361 -10.352 1033 HB3 HIS 139 2HB HIS 139 11.480 2.182 -9.720 1034 HD1 HIS 139 1HD HIS 139 11.769 4.853 -11.292 1035 HD2 HIS 139 2HD HIS 139 8.122 2.816 -10.739 1036 HE1 HIS 139 1HE HIS 139 9.980 6.601 -11.351 1037 H GLY 140 H GLY 140 13.597 0.281 -12.773 1038 HA2 GLY 140 2HA GLY 140 12.977 -2.422 -12.524 1039 HA3 GLY 140 1HA GLY 140 14.624 -1.800 -12.683 1040 H LEU 141 H LEU 141 14.133 -0.392 -9.969 1041 HA LEU 141 HA LEU 141 15.022 -2.417 -8.106 1042 HB2 LEU 141 1HB LEU 141 14.422 -0.592 -6.419 1043 HB3 LEU 141 2HB LEU 141 15.769 -0.305 -7.480 1044 HG LEU 141 HG LEU 141 13.233 0.727 -8.586 1045 HD11 LEU 141 1HD1 LEU 141 12.899 2.570 -7.006 1046 HD12 LEU 141 2HD1 LEU 141 14.096 1.837 -5.901 1047 HD13 LEU 141 3HD1 LEU 141 12.579 0.990 -6.298 1048 HD21 LEU 141 3HD2 LEU 141 15.920 1.950 -7.871 1049 HD22 LEU 141 1HD2 LEU 141 14.617 2.878 -8.597 1050 HD23 LEU 141 2HD2 LEU 141 15.321 1.503 -9.475 1051 H ARG 142 H ARG 142 13.174 -3.941 -8.721 1052 HA ARG 142 HA ARG 142 10.639 -3.211 -7.438 1053 HB2 ARG 142 1HB ARG 142 11.210 -5.788 -8.922 1054 HB3 ARG 142 2HB ARG 142 9.671 -4.959 -8.721 1055 HG2 ARG 142 1HG ARG 142 11.243 -3.087 -10.130 1056 HG3 ARG 142 2HG ARG 142 11.787 -4.650 -10.774 1057 HD2 ARG 142 1HD ARG 142 9.342 -5.180 -11.116 1058 HD3 ARG 142 2HD ARG 142 9.003 -3.504 -10.632 1059 HE ARG 142 HE ARG 142 10.066 -2.693 -12.589 1060 HH11 ARG 142 1HH1 ARG 142 10.035 -6.257 -12.608 1061 HH12 ARG 142 2HH1 ARG 142 9.781 -6.382 -14.320 1062 HH21 ARG 142 1HH2 ARG 142 9.924 -2.864 -14.878 1063 HH22 ARG 142 2HH2 ARG 142 9.946 -4.418 -15.652 1064 H TYR 143 H TYR 143 9.408 -5.012 -6.171 1065 HA TYR 143 HA TYR 143 10.912 -5.492 -3.847 1066 HB2 TYR 143 1HB TYR 143 8.383 -5.561 -3.870 1067 HB3 TYR 143 2HB TYR 143 8.460 -7.065 -4.770 1068 HD1 TYR 143 1HD TYR 143 10.336 -5.732 -1.732 1069 HD2 TYR 143 2HD TYR 143 7.769 -8.818 -3.339 1070 HE1 TYR 143 1HE TYR 143 10.557 -7.023 0.341 1071 HE2 TYR 143 2HE TYR 143 7.861 -10.030 -1.212 1072 HH TYR 143 HH TYR 143 10.196 -9.041 1.328 1073 H ASN 144 H ASN 144 11.980 -7.323 -3.008 1074 HA ASN 144 HA ASN 144 12.520 -9.472 -4.993 1075 HB2 ASN 144 1HB ASN 144 14.455 -7.715 -3.546 1076 HB3 ASN 144 2HB ASN 144 14.833 -9.441 -3.646 1077 HD21 ASN 144 1HD2 ASN 144 13.577 -6.930 -6.032 1078 HD22 ASN 144 2HD2 ASN 144 14.487 -7.703 -7.309 1079 HA PRO 145 HA PRO 145 11.152 -11.541 -1.167 1080 HB2 PRO 145 1HB PRO 145 9.507 -13.419 -2.292 1081 HB3 PRO 145 2HB PRO 145 9.012 -11.729 -1.962 1082 HG2 PRO 145 1HG PRO 145 9.984 -12.867 -4.608 1083 HG3 PRO 145 2HG PRO 145 8.522 -11.925 -4.282 1084 HD2 PRO 145 1HD PRO 145 10.856 -10.851 -5.196 1085 HD3 PRO 145 2HD PRO 145 9.811 -9.939 -4.074 1086 H ARG 146 H ARG 146 11.737 -13.395 -4.284 1087 HA ARG 146 HA ARG 146 13.870 -14.958 -3.342 1088 HB2 ARG 146 1HB ARG 146 11.378 -15.614 -2.177 1089 HB3 ARG 146 2HB ARG 146 11.360 -16.633 -3.572 1090 HG2 ARG 146 1HG ARG 146 12.886 -18.054 -2.707 1091 HG3 ARG 146 2HG ARG 146 14.013 -16.752 -2.343 1092 HD2 ARG 146 1HD ARG 146 11.885 -16.513 -0.442 1093 HD3 ARG 146 2HD ARG 146 12.275 -18.228 -0.526 1094 HE ARG 146 HE ARG 146 13.810 -16.079 0.625 1095 HH11 ARG 146 1HH1 ARG 146 14.270 -19.214 -0.985 1096 HH12 ARG 146 2HH1 ARG 146 15.909 -19.382 -0.505 1097 HH21 ARG 146 1HH2 ARG 146 15.820 -16.505 1.634 1098 HH22 ARG 146 2HH2 ARG 146 16.781 -17.854 1.129 1099 H GLU 147 H GLU 147 12.995 -13.557 -5.970 1100 HA GLU 147 HA GLU 147 11.450 -15.419 -7.448 1101 HB2 GLU 147 1HB GLU 147 11.310 -13.711 -9.074 1102 HB3 GLU 147 2HB GLU 147 11.037 -13.036 -7.496 1103 HG2 GLU 147 1HG GLU 147 13.738 -12.826 -7.806 1104 HG3 GLU 147 2HG GLU 147 13.147 -12.390 -9.441 1105 H ASN 148 H ASN 148 12.678 -17.263 -7.621 1106 HA ASN 148 HA ASN 148 14.305 -18.711 -8.104 1107 HB2 ASN 148 1HB ASN 148 15.131 -16.650 -10.110 1108 HB3 ASN 148 2HB ASN 148 15.764 -18.302 -10.024 1109 HD21 ASN 148 1HD2 ASN 148 13.777 -16.461 -11.779 1110 HD22 ASN 148 2HD2 ASN 148 12.498 -17.565 -12.216 1111 H ARG 149 H ARG 149 14.757 -17.803 -5.832 1112 HA ARG 149 HA ARG 149 16.865 -16.168 -5.231 1113 HB2 ARG 149 1HB ARG 149 15.328 -17.516 -3.690 1114 HB3 ARG 149 2HB ARG 149 16.555 -18.750 -3.755 1115 HG2 ARG 149 1HG ARG 149 17.055 -17.427 -1.818 1116 HG3 ARG 149 2HG ARG 149 18.268 -17.036 -3.032 1117 HD2 ARG 149 1HD ARG 149 16.047 -15.238 -3.388 1118 HD3 ARG 149 2HD ARG 149 16.395 -15.290 -1.664 1119 HE ARG 149 HE ARG 149 18.850 -14.995 -2.519 1120 HH11 ARG 149 1HH1 ARG 149 16.062 -13.082 -3.836 1121 HH12 ARG 149 2HH1 ARG 149 17.081 -11.757 -4.184 1122 HH21 ARG 149 1HH2 ARG 149 20.076 -13.160 -3.031 1123 HH22 ARG 149 2HH2 ARG 149 19.345 -11.755 -3.688 Start of MODEL 3 1 H1 MET 1 H MET 1 -14.982 -5.223 5.619 2 HA MET 1 HA MET 1 -16.843 -4.071 7.586 3 HB2 MET 1 1HB MET 1 -15.335 -6.596 7.675 4 HB3 MET 1 2HB MET 1 -15.086 -5.619 9.096 5 HG2 MET 1 1HG MET 1 -17.912 -5.830 8.170 6 HG3 MET 1 2HG MET 1 -17.176 -7.325 8.711 7 HE1 MET 1 3HE MET 1 -15.969 -3.984 10.745 8 HE2 MET 1 1HE MET 1 -17.323 -3.574 9.672 9 HE3 MET 1 2HE MET 1 -17.567 -3.589 11.423 10 H ALA 2 H ALA 2 -13.336 -4.174 6.567 11 HA ALA 2 HA ALA 2 -13.060 -1.624 8.021 12 HB1 ALA 2 1HB ALA 2 -12.051 -3.250 9.540 13 HB2 ALA 2 2HB ALA 2 -11.141 -3.987 8.201 14 HB3 ALA 2 3HB ALA 2 -10.781 -2.322 8.705 15 H HIS 3 H HIS 3 -13.220 -0.566 6.052 16 HA HIS 3 HA HIS 3 -12.198 -1.430 3.529 17 HB2 HIS 3 1HB HIS 3 -12.886 1.295 4.726 18 HB3 HIS 3 2HB HIS 3 -12.382 1.067 3.065 19 HD1 HIS 3 1HD HIS 3 -15.445 1.660 4.640 20 HD2 HIS 3 2HD HIS 3 -13.972 -0.837 1.621 21 HE1 HIS 3 1HE HIS 3 -17.483 0.808 3.381 22 H ILE 4 H ILE 4 -10.131 -1.032 2.602 23 HA ILE 4 HA ILE 4 -8.174 0.653 4.043 24 HB ILE 4 HB ILE 4 -6.399 -0.913 3.657 25 HG12 ILE 4 1HG1 ILE 4 -8.474 -2.964 2.778 26 HG13 ILE 4 2HG1 ILE 4 -7.455 -2.097 1.664 27 HG21 ILE 4 1HG2 ILE 4 -7.810 -0.885 5.779 28 HG22 ILE 4 2HG2 ILE 4 -8.612 -2.336 5.188 29 HG23 ILE 4 3HG2 ILE 4 -6.851 -2.338 5.497 30 HD11 ILE 4 3HD1 ILE 4 -6.488 -4.245 2.029 31 HD12 ILE 4 1HD1 ILE 4 -5.424 -3.020 2.748 32 HD13 ILE 4 2HD1 ILE 4 -6.469 -4.016 3.793 33 H PHE 5 H PHE 5 -6.363 1.305 2.528 34 HA PHE 5 HA PHE 5 -7.191 1.344 -0.328 35 HB2 PHE 5 1HB PHE 5 -6.459 3.466 0.940 36 HB3 PHE 5 2HB PHE 5 -4.867 2.745 1.039 37 HD1 PHE 5 2HD PHE 5 -7.417 3.071 -1.770 38 HD2 PHE 5 1HD PHE 5 -3.430 3.950 -0.380 39 HE1 PHE 5 2HE PHE 5 -6.881 4.090 -3.940 40 HE2 PHE 5 1HE PHE 5 -2.892 4.951 -2.590 41 HZ PHE 5 HZ PHE 5 -4.614 5.061 -4.366 42 H VAL 6 H VAL 6 -5.930 0.058 -1.727 43 HA VAL 6 HA VAL 6 -3.785 -1.675 -0.619 44 HB VAL 6 HB VAL 6 -3.432 -2.180 -3.107 45 HG11 VAL 6 1HG1 VAL 6 -6.010 -3.026 -1.773 46 HG12 VAL 6 2HG1 VAL 6 -5.364 -3.683 -3.305 47 HG13 VAL 6 3HG1 VAL 6 -4.440 -3.867 -1.809 48 HG21 VAL 6 3HG2 VAL 6 -5.061 -1.743 -4.695 49 HG22 VAL 6 1HG2 VAL 6 -6.221 -1.143 -3.502 50 HG23 VAL 6 2HG2 VAL 6 -4.796 -0.166 -3.904 51 H TYR 7 H TYR 7 -1.700 -1.372 -2.277 52 HA TYR 7 HA TYR 7 -1.315 1.535 -2.659 53 HB2 TYR 7 1HB TYR 7 -0.306 0.321 -0.436 54 HB3 TYR 7 2HB TYR 7 1.014 0.036 -1.564 55 HD1 TYR 7 2HD TYR 7 -1.445 2.777 -0.751 56 HD2 TYR 7 1HD TYR 7 2.679 1.724 -1.454 57 HE1 TYR 7 2HE TYR 7 -0.848 5.172 -0.692 58 HE2 TYR 7 1HE TYR 7 3.295 4.086 -1.343 59 HH TYR 7 HH TYR 7 0.859 6.733 -1.000 60 H GLY 8 H GLY 8 0.262 -1.646 -3.277 61 HA2 GLY 8 2HA GLY 8 0.249 -1.047 -6.137 62 HA3 GLY 8 1HA GLY 8 1.846 -0.858 -5.404 63 H THR 9 H THR 9 1.738 -2.984 -3.440 64 HA THR 9 HA THR 9 2.624 -5.159 -4.944 65 HB THR 9 HB THR 9 2.204 -6.239 -2.542 66 HG1 THR 9 1HG THR 9 1.732 -4.779 -0.975 67 HG21 THR 9 3HG2 THR 9 4.065 -3.830 -2.855 68 HG22 THR 9 1HG2 THR 9 4.442 -5.472 -3.408 69 HG23 THR 9 2HG2 THR 9 4.223 -5.157 -1.683 70 H LEU 10 H LEU 10 -0.664 -4.329 -3.878 71 HA LEU 10 HA LEU 10 -1.645 -6.701 -5.420 72 HB2 LEU 10 1HB LEU 10 -2.982 -5.645 -2.905 73 HB3 LEU 10 2HB LEU 10 -3.391 -7.036 -3.895 74 HG LEU 10 HG LEU 10 -0.928 -7.849 -3.169 75 HD11 LEU 10 1HD1 LEU 10 -1.821 -6.063 -0.848 76 HD12 LEU 10 2HD1 LEU 10 -0.396 -5.759 -1.850 77 HD13 LEU 10 3HD1 LEU 10 -0.454 -7.187 -0.826 78 HD21 LEU 10 3HD2 LEU 10 -3.470 -7.837 -1.527 79 HD22 LEU 10 1HD2 LEU 10 -2.064 -8.853 -1.149 80 HD23 LEU 10 2HD2 LEU 10 -2.917 -9.082 -2.689 81 H LYS 11 H LYS 11 -1.652 -4.969 -7.157 82 HA LYS 11 HA LYS 11 -4.387 -3.952 -7.230 83 HB2 LYS 11 1HB LYS 11 -3.417 -2.124 -6.193 84 HB3 LYS 11 2HB LYS 11 -2.017 -2.058 -7.282 85 HG2 LYS 11 1HG LYS 11 -4.486 -1.848 -8.842 86 HG3 LYS 11 2HG LYS 11 -4.503 -0.660 -7.548 87 HD2 LYS 11 1HD LYS 11 -2.458 0.350 -8.287 88 HD3 LYS 11 2HD LYS 11 -2.138 -0.959 -9.438 89 HE2 LYS 11 1HE LYS 11 -4.143 -0.330 -10.734 90 HE3 LYS 11 2HE LYS 11 -4.497 0.963 -9.598 91 HZ1 LYS 11 3HZ LYS 11 -2.035 0.816 -11.243 92 HZ2 LYS 11 1HZ LYS 11 -2.441 2.029 -10.236 93 HZ3 LYS 11 2HZ LYS 11 -3.357 1.768 -11.564 94 H ARG 12 H ARG 12 -1.563 -3.091 -9.285 95 HA ARG 12 HA ARG 12 -2.969 -3.874 -11.616 96 HB2 ARG 12 1HB ARG 12 -1.369 -2.071 -11.551 97 HB3 ARG 12 2HB ARG 12 -0.051 -3.174 -11.130 98 HG2 ARG 12 1HG ARG 12 -0.368 -4.304 -13.291 99 HG3 ARG 12 2HG ARG 12 -1.614 -3.153 -13.746 100 HD2 ARG 12 1HD ARG 12 -0.055 -1.321 -13.764 101 HD3 ARG 12 2HD ARG 12 1.171 -2.247 -12.900 102 HE ARG 12 HE ARG 12 1.596 -3.593 -14.828 103 HH11 ARG 12 1HH1 ARG 12 -0.247 -0.601 -15.606 104 HH12 ARG 12 2HH1 ARG 12 0.361 -0.590 -17.198 105 HH21 ARG 12 1HH2 ARG 12 2.106 -3.632 -16.970 106 HH22 ARG 12 2HH2 ARG 12 1.404 -2.574 -18.121 107 H GLY 13 H GLY 13 0.295 -5.367 -11.072 108 HA2 GLY 13 2HA GLY 13 -0.938 -8.027 -11.027 109 HA3 GLY 13 1HA GLY 13 -0.091 -7.575 -12.514 110 H GLN 14 H GLN 14 0.878 -6.444 -9.335 111 HA GLN 14 HA GLN 14 3.532 -7.290 -9.413 112 HB2 GLN 14 1HB GLN 14 1.499 -6.245 -7.455 113 HB3 GLN 14 2HB GLN 14 2.938 -6.951 -6.758 114 HG2 GLN 14 1HG GLN 14 3.181 -4.641 -6.943 115 HG3 GLN 14 2HG GLN 14 4.364 -5.407 -8.012 116 HE21 GLN 14 1HE2 GLN 14 1.138 -3.825 -8.159 117 HE22 GLN 14 2HE2 GLN 14 1.399 -3.138 -9.755 118 HA PRO 15 HA PRO 15 3.590 -11.461 -8.397 119 HB2 PRO 15 1HB PRO 15 5.429 -11.856 -6.352 120 HB3 PRO 15 2HB PRO 15 5.830 -11.468 -8.044 121 HG2 PRO 15 1HG PRO 15 5.677 -9.594 -5.675 122 HG3 PRO 15 2HG PRO 15 6.890 -9.648 -6.988 123 HD2 PRO 15 1HD PRO 15 4.804 -7.896 -6.938 124 HD3 PRO 15 2HD PRO 15 5.499 -8.506 -8.438 125 H ASN 16 H ASN 16 2.521 -9.386 -5.890 126 HA ASN 16 HA ASN 16 2.048 -11.473 -3.888 127 HB2 ASN 16 1HB ASN 16 1.406 -8.502 -3.651 128 HB3 ASN 16 2HB ASN 16 1.856 -9.645 -2.378 129 HD21 ASN 16 1HD2 ASN 16 2.897 -7.324 -4.639 130 HD22 ASN 16 2HD2 ASN 16 4.637 -7.466 -4.451 131 H HIS 17 H HIS 17 0.183 -9.896 -6.381 132 HA HIS 17 HA HIS 17 -2.104 -9.237 -5.029 133 HB2 HIS 17 1HB HIS 17 -1.452 -8.863 -7.499 134 HB3 HIS 17 2HB HIS 17 -2.192 -10.421 -7.835 135 HD1 HIS 17 1HD HIS 17 -3.202 -7.261 -8.717 136 HD2 HIS 17 2HD HIS 17 -4.966 -10.147 -6.203 137 HE1 HIS 17 1HE HIS 17 -5.633 -6.660 -8.498 138 H LYS 18 H LYS 18 -1.391 -12.540 -6.247 139 HA LYS 18 HA LYS 18 -3.835 -13.734 -5.904 140 HB2 LYS 18 1HB LYS 18 -2.731 -15.832 -5.868 141 HB3 LYS 18 2HB LYS 18 -1.843 -14.746 -6.917 142 HG2 LYS 18 1HG LYS 18 -0.154 -15.820 -5.878 143 HG3 LYS 18 2HG LYS 18 -0.243 -14.341 -4.927 144 HD2 LYS 18 1HD LYS 18 -1.430 -15.526 -3.166 145 HD3 LYS 18 2HD LYS 18 -1.536 -17.008 -4.133 146 HE2 LYS 18 1HE LYS 18 1.083 -15.684 -3.454 147 HE3 LYS 18 2HE LYS 18 0.299 -16.778 -2.289 148 HZ1 LYS 18 3HZ LYS 18 1.911 -17.930 -3.658 149 HZ2 LYS 18 1HZ LYS 18 1.123 -17.514 -5.028 150 HZ3 LYS 18 2HZ LYS 18 0.411 -18.533 -3.949 151 H VAL 19 H VAL 19 -1.884 -12.629 -3.191 152 HA VAL 19 HA VAL 19 -3.019 -14.505 -1.322 153 HB VAL 19 HB VAL 19 -1.926 -13.152 0.354 154 HG11 VAL 19 1HG1 VAL 19 -0.091 -13.179 -2.089 155 HG12 VAL 19 2HG1 VAL 19 0.335 -13.361 -0.376 156 HG13 VAL 19 3HG1 VAL 19 -0.552 -14.636 -1.193 157 HG21 VAL 19 3HG2 VAL 19 -0.572 -11.079 -0.533 158 HG22 VAL 19 1HG2 VAL 19 -1.895 -11.006 -1.722 159 HG23 VAL 19 2HG2 VAL 19 -2.241 -10.927 0.000 160 H MET 20 H MET 20 -4.166 -11.427 -2.676 161 HA MET 20 HA MET 20 -6.321 -11.289 -0.670 162 HB2 MET 20 1HB MET 20 -7.001 -9.302 -1.638 163 HB3 MET 20 2HB MET 20 -5.272 -9.192 -1.540 164 HG2 MET 20 1HG MET 20 -4.997 -9.060 -3.797 165 HG3 MET 20 2HG MET 20 -6.304 -10.176 -4.153 166 HE1 MET 20 3HE MET 20 -6.993 -5.703 -3.152 167 HE2 MET 20 1HE MET 20 -6.802 -6.908 -1.865 168 HE3 MET 20 2HE MET 20 -5.445 -6.548 -2.959 169 H LEU 21 H LEU 21 -5.837 -13.440 -3.050 170 HA LEU 21 HA LEU 21 -8.633 -13.434 -4.043 171 HB2 LEU 21 1HB LEU 21 -6.178 -14.631 -5.336 172 HB3 LEU 21 2HB LEU 21 -7.792 -14.537 -6.020 173 HG LEU 21 HG LEU 21 -5.919 -12.192 -5.479 174 HD11 LEU 21 1HD1 LEU 21 -6.859 -13.379 -8.113 175 HD12 LEU 21 2HD1 LEU 21 -5.272 -13.631 -7.384 176 HD13 LEU 21 3HD1 LEU 21 -5.747 -12.009 -7.891 177 HD21 LEU 21 3HD2 LEU 21 -8.225 -11.405 -5.238 178 HD22 LEU 21 1HD2 LEU 21 -8.681 -12.186 -6.768 179 HD23 LEU 21 2HD2 LEU 21 -7.553 -10.814 -6.751 180 H ASP 22 H ASP 22 -7.623 -14.467 -1.458 181 HA ASP 22 HA ASP 22 -8.536 -17.251 -1.725 182 HB2 ASP 22 1HB ASP 22 -6.034 -17.298 -1.769 183 HB3 ASP 22 2HB ASP 22 -6.007 -16.477 -0.198 184 H HIS 23 H HIS 23 -10.402 -16.830 -0.746 185 HA HIS 23 HA HIS 23 -10.816 -14.709 0.950 186 HB2 HIS 23 1HB HIS 23 -12.486 -15.822 -0.461 187 HB3 HIS 23 2HB HIS 23 -12.483 -17.214 0.635 188 HD1 HIS 23 1HD HIS 23 -14.581 -16.995 2.292 189 HD2 HIS 23 2HD HIS 23 -12.909 -13.382 0.949 190 HE1 HIS 23 1HE HIS 23 -15.975 -15.147 3.299 191 H SER 24 H SER 24 -9.730 -17.846 1.961 192 HA SER 24 HA SER 24 -10.419 -17.591 4.774 193 HB2 SER 24 1HB SER 24 -8.251 -19.199 3.622 194 HB3 SER 24 2HB SER 24 -9.038 -19.433 5.186 195 HG SER 24 HG SER 24 -9.733 -20.323 2.721 196 H HIS 25 H HIS 25 -7.706 -16.427 2.727 197 HA HIS 25 HA HIS 25 -6.133 -15.621 5.055 198 HB2 HIS 25 1HB HIS 25 -5.796 -14.890 2.154 199 HB3 HIS 25 2HB HIS 25 -4.727 -14.459 3.478 200 HD1 HIS 25 1HD HIS 25 -3.084 -16.046 1.568 201 HD2 HIS 25 2HD HIS 25 -5.590 -17.876 4.431 202 HE1 HIS 25 1HE HIS 25 -2.307 -18.419 1.794 203 H GLY 26 H GLY 26 -8.455 -14.237 2.686 204 HA2 GLY 26 2HA GLY 26 -10.126 -13.290 4.492 205 HA3 GLY 26 1HA GLY 26 -8.982 -11.959 4.467 206 H LEU 27 H LEU 27 -11.454 -11.314 3.845 207 HA LEU 27 HA LEU 27 -12.148 -11.532 1.064 208 HB2 LEU 27 1HB LEU 27 -13.782 -11.119 2.913 209 HB3 LEU 27 2HB LEU 27 -12.969 -9.584 3.225 210 HG LEU 27 HG LEU 27 -13.644 -8.780 0.945 211 HD11 LEU 27 1HD1 LEU 27 -13.818 -11.020 -0.167 212 HD12 LEU 27 2HD1 LEU 27 -15.263 -10.057 -0.355 213 HD13 LEU 27 3HD1 LEU 27 -15.233 -11.386 0.828 214 HD21 LEU 27 3HD2 LEU 27 -15.040 -8.240 2.862 215 HD22 LEU 27 1HD2 LEU 27 -15.929 -9.771 2.684 216 HD23 LEU 27 2HD2 LEU 27 -16.030 -8.507 1.432 217 H ALA 28 H ALA 28 -11.761 -10.178 -0.629 218 HA ALA 28 HA ALA 28 -11.185 -7.412 -0.145 219 HB1 ALA 28 1HB ALA 28 -9.243 -7.273 -1.659 220 HB2 ALA 28 2HB ALA 28 -8.864 -8.278 -0.240 221 HB3 ALA 28 3HB ALA 28 -9.227 -9.044 -1.809 222 H ALA 29 H ALA 29 -12.936 -6.670 -1.256 223 HA ALA 29 HA ALA 29 -13.453 -7.729 -4.002 224 HB1 ALA 29 1HB ALA 29 -15.414 -6.466 -2.033 225 HB2 ALA 29 2HB ALA 29 -15.779 -6.967 -3.690 226 HB3 ALA 29 3HB ALA 29 -15.328 -8.186 -2.481 227 H PHE 30 H PHE 30 -13.470 -6.238 -5.633 228 HA PHE 30 HA PHE 30 -12.137 -3.704 -5.242 229 HB2 PHE 30 1HB PHE 30 -11.897 -5.031 -7.289 230 HB3 PHE 30 2HB PHE 30 -13.621 -4.891 -7.613 231 HD1 PHE 30 1HD PHE 30 -14.626 -2.784 -8.414 232 HD2 PHE 30 2HD PHE 30 -10.361 -3.186 -7.836 233 HE1 PHE 30 1HE PHE 30 -14.228 -0.922 -9.998 234 HE2 PHE 30 2HE PHE 30 -9.999 -1.392 -9.486 235 HZ PHE 30 HZ PHE 30 -11.932 -0.300 -10.624 236 H ARG 31 H ARG 31 -13.109 -2.097 -4.234 237 HA ARG 31 HA ARG 31 -16.039 -1.634 -4.576 238 HB2 ARG 31 1HB ARG 31 -15.085 -2.258 -2.267 239 HB3 ARG 31 2HB ARG 31 -14.124 -0.795 -2.343 240 HG2 ARG 31 1HG ARG 31 -15.828 0.008 -1.081 241 HG3 ARG 31 2HG ARG 31 -16.536 0.349 -2.665 242 HD2 ARG 31 1HD ARG 31 -18.315 -0.718 -1.916 243 HD3 ARG 31 2HD ARG 31 -17.421 -2.246 -2.131 244 HE ARG 31 HE ARG 31 -16.714 -1.092 0.360 245 HH11 ARG 31 1HH1 ARG 31 -19.481 -2.850 -0.967 246 HH12 ARG 31 2HH1 ARG 31 -20.205 -3.078 0.566 247 HH21 ARG 31 1HH2 ARG 31 -17.714 -1.368 2.314 248 HH22 ARG 31 2HH2 ARG 31 -19.336 -2.039 2.450 249 H GLY 32 H GLY 32 -14.344 -0.982 -6.624 250 HA2 GLY 32 2HA GLY 32 -14.267 0.918 -8.012 251 HA3 GLY 32 1HA GLY 32 -14.655 1.938 -6.631 252 H ARG 33 H ARG 33 -12.956 3.319 -7.325 253 HA ARG 33 HA ARG 33 -10.158 2.263 -7.048 254 HB2 ARG 33 1HB ARG 33 -11.233 4.181 -9.110 255 HB3 ARG 33 2HB ARG 33 -9.525 3.715 -8.948 256 HG2 ARG 33 1HG ARG 33 -10.016 1.414 -9.554 257 HG3 ARG 33 2HG ARG 33 -11.759 1.687 -9.431 258 HD2 ARG 33 1HD ARG 33 -11.369 1.750 -11.697 259 HD3 ARG 33 2HD ARG 33 -11.545 3.420 -11.174 260 HE ARG 33 HE ARG 33 -9.576 3.876 -12.013 261 HH11 ARG 33 1HH1 ARG 33 -9.475 0.371 -11.398 262 HH12 ARG 33 2HH1 ARG 33 -8.326 0.043 -12.633 263 HH21 ARG 33 1HH2 ARG 33 -8.287 3.430 -13.722 264 HH22 ARG 33 2HH2 ARG 33 -7.699 1.821 -14.060 265 H GLY 34 H GLY 34 -8.459 4.199 -6.690 266 HA2 GLY 34 2HA GLY 34 -9.566 6.688 -5.886 267 HA3 GLY 34 1HA GLY 34 -9.220 5.685 -4.458 268 H CYS 35 H CYS 35 -7.979 7.992 -4.600 269 HA CYS 35 HA CYS 35 -5.140 7.290 -5.199 270 HB2 CYS 35 1HB CYS 35 -6.611 9.833 -6.036 271 HB3 CYS 35 2HB CYS 35 -4.852 9.652 -6.045 272 HG CYS 35 HG CYS 35 -7.055 7.799 -7.679 273 H THR 36 H THR 36 -3.619 8.402 -3.815 274 HA THR 36 HA THR 36 -4.711 9.340 -1.251 275 HB THR 36 HB THR 36 -2.253 9.880 -0.835 276 HG1 THR 36 1HG THR 36 -1.955 8.225 -3.149 277 HG21 THR 36 3HG2 THR 36 -1.634 7.551 -0.415 278 HG22 THR 36 1HG2 THR 36 -2.937 6.983 -1.494 279 HG23 THR 36 2HG2 THR 36 -3.325 7.837 0.003 280 H VAL 37 H VAL 37 -5.413 11.383 -0.965 281 HA VAL 37 HA VAL 37 -5.188 13.250 -3.192 282 HB VAL 37 HB VAL 37 -6.392 14.062 -0.568 283 HG11 VAL 37 1HG1 VAL 37 -6.334 15.542 -2.508 284 HG12 VAL 37 2HG1 VAL 37 -7.315 14.364 -3.428 285 HG13 VAL 37 3HG1 VAL 37 -7.984 15.166 -1.989 286 HG21 VAL 37 3HG2 VAL 37 -7.251 11.879 -0.545 287 HG22 VAL 37 1HG2 VAL 37 -8.545 12.898 -1.180 288 HG23 VAL 37 2HG2 VAL 37 -7.572 11.914 -2.307 289 H GLU 38 H GLU 38 -4.312 13.050 0.248 290 HA GLU 38 HA GLU 38 -2.358 15.177 0.338 291 HB2 GLU 38 1HB GLU 38 -2.980 12.616 1.872 292 HB3 GLU 38 2HB GLU 38 -1.457 13.399 2.111 293 HG2 GLU 38 1HG GLU 38 -4.179 14.390 2.806 294 HG3 GLU 38 2HG GLU 38 -2.849 14.105 3.861 295 H SER 39 H SER 39 -0.409 15.139 -0.692 296 HA SER 39 HA SER 39 0.666 12.933 -2.114 297 HB2 SER 39 1HB SER 39 2.306 15.033 -0.671 298 HB3 SER 39 2HB SER 39 2.586 14.325 -2.261 299 HG SER 39 HG SER 39 0.814 15.540 -3.043 300 H PHE 40 H PHE 40 2.335 11.398 -1.329 301 HA PHE 40 HA PHE 40 3.104 11.675 1.520 302 HB2 PHE 40 1HB PHE 40 1.873 9.160 0.301 303 HB3 PHE 40 2HB PHE 40 3.058 9.084 1.593 304 HD1 PHE 40 1HD PHE 40 -0.361 10.213 0.762 305 HD2 PHE 40 2HD PHE 40 2.549 9.579 3.872 306 HE1 PHE 40 1HE PHE 40 -2.127 10.512 2.474 307 HE2 PHE 40 2HE PHE 40 0.775 9.949 5.594 308 HZ PHE 40 HZ PHE 40 -1.561 10.488 4.861 309 HA PRO 41 HA PRO 41 6.991 10.979 -0.454 310 HB2 PRO 41 1HB PRO 41 8.504 10.202 1.691 311 HB3 PRO 41 2HB PRO 41 7.900 11.889 1.457 312 HG2 PRO 41 1HG PRO 41 6.692 9.648 3.097 313 HG3 PRO 41 2HG PRO 41 6.970 11.353 3.602 314 HD2 PRO 41 1HD PRO 41 4.575 10.516 2.808 315 HD3 PRO 41 2HD PRO 41 5.194 12.119 2.304 316 H LEU 42 H LEU 42 6.614 9.232 -1.862 317 HA LEU 42 HA LEU 42 6.807 6.543 -0.685 318 HB2 LEU 42 1HB LEU 42 5.051 7.433 -2.472 319 HB3 LEU 42 2HB LEU 42 6.351 7.301 -3.631 320 HG LEU 42 HG LEU 42 4.757 5.222 -2.233 321 HD11 LEU 42 1HD1 LEU 42 4.251 5.904 -4.562 322 HD12 LEU 42 2HD1 LEU 42 4.645 4.183 -4.440 323 HD13 LEU 42 3HD1 LEU 42 5.845 5.333 -5.069 324 HD21 LEU 42 3HD2 LEU 42 6.890 4.411 -1.550 325 HD22 LEU 42 1HD2 LEU 42 7.567 4.608 -3.180 326 HD23 LEU 42 2HD2 LEU 42 6.295 3.397 -2.857 327 H VAL 43 H VAL 43 8.980 5.798 -0.459 328 HA VAL 43 HA VAL 43 10.767 6.281 -2.767 329 HB VAL 43 HB VAL 43 12.668 6.408 -1.313 330 HG11 VAL 43 1HG1 VAL 43 11.419 8.502 -1.764 331 HG12 VAL 43 2HG1 VAL 43 10.515 8.260 -0.250 332 HG13 VAL 43 3HG1 VAL 43 12.258 8.555 -0.207 333 HG21 VAL 43 3HG2 VAL 43 12.559 6.525 1.133 334 HG22 VAL 43 1HG2 VAL 43 10.830 6.169 1.110 335 HG23 VAL 43 2HG2 VAL 43 12.001 4.949 0.575 336 H ILE 44 H ILE 44 12.221 4.564 -3.212 337 HA ILE 44 HA ILE 44 11.385 1.898 -2.206 338 HB ILE 44 HB ILE 44 13.336 2.468 -4.445 339 HG12 ILE 44 1HG1 ILE 44 10.427 1.556 -4.687 340 HG13 ILE 44 2HG1 ILE 44 10.965 3.208 -5.002 341 HG21 ILE 44 1HG2 ILE 44 12.970 -0.002 -4.876 342 HG22 ILE 44 2HG2 ILE 44 13.635 0.286 -3.283 343 HG23 ILE 44 3HG2 ILE 44 11.900 -0.070 -3.470 344 HD11 ILE 44 3HD1 ILE 44 11.856 0.772 -6.581 345 HD12 ILE 44 1HD1 ILE 44 10.688 2.010 -7.073 346 HD13 ILE 44 2HD1 ILE 44 12.388 2.457 -6.823 347 H ALA 45 H ALA 45 12.757 0.819 -0.731 348 HA ALA 45 HA ALA 45 15.500 1.815 -0.451 349 HB1 ALA 45 1HB ALA 45 15.357 2.071 1.927 350 HB2 ALA 45 2HB ALA 45 14.170 3.146 1.182 351 HB3 ALA 45 3HB ALA 45 13.643 1.625 1.945 352 H GLY 46 H GLY 46 16.769 0.381 0.886 353 HA2 GLY 46 2HA GLY 46 17.308 -1.520 2.032 354 HA3 GLY 46 1HA GLY 46 15.649 -2.088 1.877 355 H GLU 47 H GLU 47 17.380 -3.970 1.703 356 HA GLU 47 HA GLU 47 18.756 -4.222 -0.804 357 HB2 GLU 47 1HB GLU 47 19.437 -4.776 1.621 358 HB3 GLU 47 2HB GLU 47 18.473 -6.244 1.445 359 HG2 GLU 47 1HG GLU 47 20.062 -7.268 0.220 360 HG3 GLU 47 2HG GLU 47 20.362 -5.848 -0.784 361 H HIS 48 H HIS 48 15.666 -4.914 -0.042 362 HA HIS 48 HA HIS 48 15.462 -7.079 -2.044 363 HB2 HIS 48 1HB HIS 48 14.118 -6.622 0.620 364 HB3 HIS 48 2HB HIS 48 13.270 -7.544 -0.600 365 HD1 HIS 48 1HD HIS 48 14.395 -9.978 -1.238 366 HD2 HIS 48 2HD HIS 48 16.388 -7.657 1.679 367 HE1 HIS 48 1HE HIS 48 16.142 -11.492 -0.162 368 H ASN 49 H ASN 49 15.196 -3.949 -2.010 369 HA ASN 49 HA ASN 49 14.061 -2.339 -3.089 370 HB2 ASN 49 1HB ASN 49 13.076 -4.614 -4.810 371 HB3 ASN 49 2HB ASN 49 13.186 -2.937 -5.307 372 HD21 ASN 49 1HD2 ASN 49 14.491 -5.318 -6.513 373 HD22 ASN 49 2HD2 ASN 49 16.216 -5.073 -6.411 374 H ILE 50 H ILE 50 12.896 -2.478 -0.936 375 HA ILE 50 HA ILE 50 10.066 -3.265 -1.099 376 HB ILE 50 HB ILE 50 11.934 -3.167 1.285 377 HG12 ILE 50 1HG1 ILE 50 10.310 -5.402 0.013 378 HG13 ILE 50 2HG1 ILE 50 12.019 -5.141 -0.294 379 HG21 ILE 50 1HG2 ILE 50 8.927 -3.599 1.098 380 HG22 ILE 50 2HG2 ILE 50 9.875 -3.906 2.559 381 HG23 ILE 50 3HG2 ILE 50 9.727 -2.267 1.954 382 HD11 ILE 50 3HD1 ILE 50 11.731 -6.919 1.326 383 HD12 ILE 50 1HD1 ILE 50 12.567 -5.530 2.054 384 HD13 ILE 50 2HD1 ILE 50 10.852 -5.847 2.411 385 HA PRO 51 HA PRO 51 9.954 1.329 -1.074 386 HB2 PRO 51 1HB PRO 51 7.430 1.613 -2.080 387 HB3 PRO 51 2HB PRO 51 8.847 1.357 -3.140 388 HG2 PRO 51 1HG PRO 51 6.907 -0.732 -2.066 389 HG3 PRO 51 2HG PRO 51 7.425 -0.492 -3.753 390 HD2 PRO 51 1HD PRO 51 8.602 -2.344 -2.191 391 HD3 PRO 51 2HD PRO 51 9.594 -1.362 -3.312 392 H TRP 52 H TRP 52 9.257 2.499 0.569 393 HA TRP 52 HA TRP 52 7.443 1.194 2.551 394 HB2 TRP 52 1HB TRP 52 9.495 3.434 2.887 395 HB3 TRP 52 2HB TRP 52 8.457 2.808 4.159 396 HD1 TRP 52 HD TRP 52 11.327 1.651 1.896 397 HE1 TRP 52 1HE TRP 52 12.336 -0.494 2.808 398 HE3 TRP 52 3HE TRP 52 8.212 0.932 5.889 399 HZ2 TRP 52 2HZ TRP 52 11.862 -2.307 4.975 400 HZ3 TRP 52 3HZ TRP 52 8.504 -1.019 7.349 401 HH2 TRP 52 HH TRP 52 10.343 -2.662 6.915 402 H LEU 53 H LEU 53 6.393 3.244 3.917 403 HA LEU 53 HA LEU 53 6.032 5.541 2.214 404 HB2 LEU 53 1HB LEU 53 3.997 4.044 1.756 405 HB3 LEU 53 2HB LEU 53 3.529 4.348 3.416 406 HG LEU 53 HG LEU 53 3.796 6.887 2.825 407 HD11 LEU 53 1HD1 LEU 53 5.077 6.827 0.830 408 HD12 LEU 53 2HD1 LEU 53 3.477 7.304 0.302 409 HD13 LEU 53 3HD1 LEU 53 4.010 5.645 0.069 410 HD21 LEU 53 3HD2 LEU 53 1.599 5.954 3.139 411 HD22 LEU 53 1HD2 LEU 53 1.647 5.161 1.558 412 HD23 LEU 53 2HD2 LEU 53 1.548 6.932 1.673 413 H LEU 54 H LEU 54 7.322 6.813 3.613 414 HA LEU 54 HA LEU 54 7.022 6.695 6.423 415 HB2 LEU 54 1HB LEU 54 7.803 9.130 4.797 416 HB3 LEU 54 2HB LEU 54 8.232 8.734 6.413 417 HG LEU 54 HG LEU 54 10.112 8.076 5.635 418 HD11 LEU 54 1HD1 LEU 54 9.083 5.676 4.171 419 HD12 LEU 54 2HD1 LEU 54 9.257 5.785 5.947 420 HD13 LEU 54 3HD1 LEU 54 10.659 5.958 4.891 421 HD21 LEU 54 3HD2 LEU 54 9.904 9.308 3.622 422 HD22 LEU 54 1HD2 LEU 54 9.166 7.903 2.808 423 HD23 LEU 54 2HD2 LEU 54 10.852 7.839 3.367 424 H TYR 55 H TYR 55 5.461 7.619 7.734 425 HA TYR 55 HA TYR 55 3.045 8.559 6.465 426 HB2 TYR 55 1HB TYR 55 3.118 7.280 8.624 427 HB3 TYR 55 2HB TYR 55 3.813 8.687 9.399 428 HD1 TYR 55 1HD TYR 55 0.820 7.741 7.273 429 HD2 TYR 55 2HD TYR 55 2.386 10.285 10.376 430 HE1 TYR 55 1HE TYR 55 -1.390 8.778 7.490 431 HE2 TYR 55 2HE TYR 55 0.155 11.375 10.580 432 HH TYR 55 HH TYR 55 -2.531 10.724 8.384 433 H LEU 56 H LEU 56 3.565 10.429 5.243 434 HA LEU 56 HA LEU 56 3.798 12.834 6.902 435 HB2 LEU 56 1HB LEU 56 6.046 11.787 5.681 436 HB3 LEU 56 2HB LEU 56 5.526 12.897 4.489 437 HG LEU 56 HG LEU 56 6.794 14.356 5.563 438 HD11 LEU 56 1HD1 LEU 56 5.821 15.753 7.210 439 HD12 LEU 56 2HD1 LEU 56 4.692 14.532 7.748 440 HD13 LEU 56 3HD1 LEU 56 4.505 15.252 6.133 441 HD21 LEU 56 3HD2 LEU 56 7.822 12.667 6.985 442 HD22 LEU 56 1HD2 LEU 56 6.476 12.779 8.141 443 HD23 LEU 56 2HD2 LEU 56 7.567 14.164 7.897 444 HA PRO 57 HA PRO 57 0.441 13.161 3.641 445 HB2 PRO 57 1HB PRO 57 -1.193 14.699 5.248 446 HB3 PRO 57 2HB PRO 57 -1.245 12.918 5.115 447 HG2 PRO 57 1HG PRO 57 -0.002 14.643 7.201 448 HG3 PRO 57 2HG PRO 57 -0.870 13.095 7.423 449 HD2 PRO 57 1HD PRO 57 1.853 13.292 7.472 450 HD3 PRO 57 2HD PRO 57 1.022 11.840 6.846 451 H GLY 58 H GLY 58 1.022 14.547 2.171 452 HA2 GLY 58 2HA GLY 58 0.932 16.702 1.232 453 HA3 GLY 58 1HA GLY 58 1.351 17.431 2.775 454 H LYS 59 H LYS 59 3.430 14.741 2.102 455 HA LYS 59 HA LYS 59 5.440 16.479 0.731 456 HB2 LYS 59 1HB LYS 59 5.704 14.415 2.949 457 HB3 LYS 59 2HB LYS 59 7.027 14.676 1.826 458 HG2 LYS 59 1HG LYS 59 7.447 15.995 3.759 459 HG3 LYS 59 2HG LYS 59 7.099 17.032 2.363 460 HD2 LYS 59 1HD LYS 59 5.136 17.823 3.166 461 HD3 LYS 59 2HD LYS 59 4.790 16.378 4.128 462 HE2 LYS 59 1HE LYS 59 6.286 17.072 5.858 463 HE3 LYS 59 2HE LYS 59 7.044 18.278 4.847 464 HZ1 LYS 59 3HZ LYS 59 5.000 19.535 4.856 465 HZ2 LYS 59 1HZ LYS 59 5.387 19.258 6.401 466 HZ3 LYS 59 2HZ LYS 59 4.190 18.412 5.678 467 H GLY 60 H GLY 60 6.929 15.145 -0.618 468 HA2 GLY 60 2HA GLY 60 7.251 13.550 -2.297 469 HA3 GLY 60 1HA GLY 60 6.048 12.502 -1.518 470 H HIS 61 H HIS 61 4.853 12.051 -3.357 471 HA HIS 61 HA HIS 61 3.417 14.310 -4.655 472 HB2 HIS 61 1HB HIS 61 4.568 11.829 -6.000 473 HB3 HIS 61 2HB HIS 61 3.628 13.095 -6.784 474 HD1 HIS 61 1HD HIS 61 5.060 15.737 -5.901 475 HD2 HIS 61 2HD HIS 61 7.032 12.097 -6.756 476 HE1 HIS 61 1HE HIS 61 7.435 16.339 -6.534 477 H CYS 62 H CYS 62 1.499 13.128 -5.986 478 HA CYS 62 HA CYS 62 -0.105 11.685 -4.031 479 HB2 CYS 62 1HB CYS 62 -1.622 11.219 -5.994 480 HB3 CYS 62 2HB CYS 62 -1.378 12.869 -5.524 481 HG CYS 62 HG CYS 62 -1.607 12.948 -8.039 482 H VAL 63 H VAL 63 -0.903 9.558 -4.267 483 HA VAL 63 HA VAL 63 0.636 7.966 -6.113 484 HB VAL 63 HB VAL 63 0.197 7.116 -3.218 485 HG11 VAL 63 1HG1 VAL 63 0.161 5.173 -4.723 486 HG12 VAL 63 2HG1 VAL 63 1.685 5.721 -5.475 487 HG13 VAL 63 3HG1 VAL 63 1.662 5.205 -3.779 488 HG21 VAL 63 3HG2 VAL 63 2.742 7.977 -4.662 489 HG22 VAL 63 1HG2 VAL 63 1.967 8.779 -3.276 490 HG23 VAL 63 2HG2 VAL 63 2.718 7.201 -3.075 491 H THR 64 H THR 64 -0.688 7.038 -7.502 492 HA THR 64 HA THR 64 -3.544 7.021 -6.942 493 HB THR 64 HB THR 64 -3.776 6.446 -9.257 494 HG1 THR 64 1HG THR 64 -1.371 6.584 -10.283 495 HG21 THR 64 3HG2 THR 64 -1.488 8.470 -9.103 496 HG22 THR 64 1HG2 THR 64 -3.162 8.844 -8.648 497 HG23 THR 64 2HG2 THR 64 -2.782 8.380 -10.313 498 H GLY 65 H GLY 65 -4.961 4.991 -7.173 499 HA2 GLY 65 2HA GLY 65 -3.773 2.416 -7.205 500 HA3 GLY 65 1HA GLY 65 -4.042 2.960 -5.541 501 H GLU 66 H GLU 66 -5.670 1.376 -5.148 502 HA GLU 66 HA GLU 66 -8.265 1.823 -6.433 503 HB2 GLU 66 1HB GLU 66 -6.574 -0.644 -6.633 504 HB3 GLU 66 2HB GLU 66 -8.301 -0.881 -6.378 505 HG2 GLU 66 1HG GLU 66 -8.934 0.125 -8.316 506 HG3 GLU 66 2HG GLU 66 -7.504 1.118 -8.483 507 H ILE 67 H ILE 67 -10.050 0.490 -5.200 508 HA ILE 67 HA ILE 67 -9.530 0.790 -2.285 509 HB ILE 67 HB ILE 67 -11.955 1.468 -3.994 510 HG12 ILE 67 1HG1 ILE 67 -10.123 3.195 -2.255 511 HG13 ILE 67 2HG1 ILE 67 -10.191 3.194 -4.012 512 HG21 ILE 67 1HG2 ILE 67 -12.418 0.434 -1.560 513 HG22 ILE 67 2HG2 ILE 67 -11.936 2.051 -1.054 514 HG23 ILE 67 3HG2 ILE 67 -13.283 1.841 -2.162 515 HD11 ILE 67 3HD1 ILE 67 -12.597 3.952 -3.863 516 HD12 ILE 67 1HD1 ILE 67 -12.368 4.168 -2.116 517 HD13 ILE 67 2HD1 ILE 67 -11.399 5.116 -3.249 518 H TYR 68 H TYR 68 -9.872 -1.106 -1.180 519 HA TYR 68 HA TYR 68 -11.677 -3.063 -2.443 520 HB2 TYR 68 1HB TYR 68 -9.122 -3.754 -0.995 521 HB3 TYR 68 2HB TYR 68 -10.391 -4.900 -1.427 522 HD1 TYR 68 2HD TYR 68 -7.967 -2.472 -2.847 523 HD2 TYR 68 1HD TYR 68 -10.556 -5.800 -3.685 524 HE1 TYR 68 2HE TYR 68 -7.000 -2.672 -5.138 525 HE2 TYR 68 1HE TYR 68 -9.560 -6.013 -5.955 526 HH TYR 68 HH TYR 68 -7.930 -5.183 -7.487 527 H GLU 69 H GLU 69 -13.248 -3.622 -1.334 528 HA GLU 69 HA GLU 69 -13.817 -3.005 1.462 529 HB2 GLU 69 1HB GLU 69 -15.553 -3.180 -0.264 530 HB3 GLU 69 2HB GLU 69 -15.038 -4.820 -0.661 531 HG2 GLU 69 1HG GLU 69 -15.598 -5.352 1.835 532 HG3 GLU 69 2HG GLU 69 -16.380 -3.766 1.815 533 H VAL 70 H VAL 70 -12.375 -4.008 2.873 534 HA VAL 70 HA VAL 70 -12.018 -6.919 2.455 535 HB VAL 70 HB VAL 70 -9.943 -6.900 3.493 536 HG11 VAL 70 1HG1 VAL 70 -8.497 -5.652 1.969 537 HG12 VAL 70 2HG1 VAL 70 -9.862 -6.334 1.091 538 HG13 VAL 70 3HG1 VAL 70 -9.849 -4.608 1.491 539 HG21 VAL 70 3HG2 VAL 70 -10.085 -3.936 3.920 540 HG22 VAL 70 1HG2 VAL 70 -10.193 -5.179 5.194 541 HG23 VAL 70 2HG2 VAL 70 -8.695 -4.981 4.286 542 H ASP 71 H ASP 71 -11.792 -8.078 4.518 543 HA ASP 71 HA ASP 71 -13.503 -6.895 6.621 544 HB2 ASP 71 1HB ASP 71 -13.697 -9.652 5.405 545 HB3 ASP 71 2HB ASP 71 -14.112 -9.380 7.092 546 H GLU 72 H GLU 72 -13.191 -8.335 8.646 547 HA GLU 72 HA GLU 72 -10.790 -7.353 9.701 548 HB2 GLU 72 1HB GLU 72 -12.862 -9.286 10.553 549 HB3 GLU 72 2HB GLU 72 -11.375 -9.264 11.507 550 HG2 GLU 72 1HG GLU 72 -12.463 -6.600 10.905 551 HG3 GLU 72 2HG GLU 72 -13.625 -7.586 11.787 552 H GLN 73 H GLN 73 -11.512 -10.655 8.434 553 HA GLN 73 HA GLN 73 -9.128 -11.734 9.485 554 HB2 GLN 73 1HB GLN 73 -11.229 -12.943 8.614 555 HB3 GLN 73 2HB GLN 73 -10.540 -12.715 6.993 556 HG2 GLN 73 1HG GLN 73 -10.102 -14.966 7.974 557 HG3 GLN 73 2HG GLN 73 -8.657 -14.060 7.531 558 HE21 GLN 73 1HE2 GLN 73 -7.096 -14.619 9.057 559 HE22 GLN 73 2HE2 GLN 73 -7.307 -14.407 10.793 560 H MET 74 H MET 74 -9.736 -9.928 6.522 561 HA MET 74 HA MET 74 -7.185 -10.650 5.244 562 HB2 MET 74 1HB MET 74 -8.993 -9.922 3.795 563 HB3 MET 74 2HB MET 74 -9.330 -8.534 4.777 564 HG2 MET 74 1HG MET 74 -8.203 -7.976 2.664 565 HG3 MET 74 2HG MET 74 -7.322 -7.410 4.080 566 HE1 MET 74 3HE MET 74 -7.191 -11.287 2.956 567 HE2 MET 74 1HE MET 74 -7.831 -10.284 1.633 568 HE3 MET 74 2HE MET 74 -6.232 -11.054 1.489 569 H LEU 75 H LEU 75 -8.510 -7.788 6.996 570 HA LEU 75 HA LEU 75 -6.051 -6.377 6.826 571 HB2 LEU 75 1HB LEU 75 -8.594 -5.787 7.748 572 HB3 LEU 75 2HB LEU 75 -7.677 -5.785 9.251 573 HG LEU 75 HG LEU 75 -6.994 -4.246 6.701 574 HD11 LEU 75 1HD1 LEU 75 -8.283 -3.320 9.291 575 HD12 LEU 75 2HD1 LEU 75 -8.972 -3.326 7.643 576 HD13 LEU 75 3HD1 LEU 75 -7.647 -2.227 8.043 577 HD21 LEU 75 3HD2 LEU 75 -5.713 -3.988 9.448 578 HD22 LEU 75 1HD2 LEU 75 -5.422 -2.915 8.051 579 HD23 LEU 75 2HD2 LEU 75 -4.947 -4.606 7.970 580 H ARG 76 H ARG 76 -7.218 -8.714 9.259 581 HA ARG 76 HA ARG 76 -5.064 -8.399 11.116 582 HB2 ARG 76 1HB ARG 76 -7.158 -10.563 10.527 583 HB3 ARG 76 2HB ARG 76 -6.010 -10.691 11.827 584 HG2 ARG 76 1HG ARG 76 -8.526 -9.573 12.062 585 HG3 ARG 76 2HG ARG 76 -7.174 -9.522 13.200 586 HD2 ARG 76 1HD ARG 76 -6.458 -7.342 12.251 587 HD3 ARG 76 2HD ARG 76 -7.786 -7.516 11.096 588 HE ARG 76 HE ARG 76 -9.332 -6.921 12.728 589 HH11 ARG 76 1HH1 ARG 76 -6.175 -7.283 14.289 590 HH12 ARG 76 2HH1 ARG 76 -6.727 -6.696 15.817 591 HH21 ARG 76 1HH2 ARG 76 -10.052 -6.146 14.574 592 HH22 ARG 76 2HH2 ARG 76 -9.087 -6.078 16.023 593 H PHE 77 H PHE 77 -5.637 -10.643 8.414 594 HA PHE 77 HA PHE 77 -3.236 -12.135 8.684 595 HB2 PHE 77 1HB PHE 77 -4.982 -12.870 7.141 596 HB3 PHE 77 2HB PHE 77 -4.919 -11.363 6.263 597 HD1 PHE 77 1HD PHE 77 -2.875 -14.386 7.114 598 HD2 PHE 77 2HD PHE 77 -3.437 -11.018 4.492 599 HE1 PHE 77 1HE PHE 77 -1.269 -15.375 5.522 600 HE2 PHE 77 2HE PHE 77 -1.670 -11.917 2.972 601 HZ PHE 77 HZ PHE 77 -0.648 -14.131 3.434 602 H LEU 78 H LEU 78 -3.840 -9.160 6.723 603 HA LEU 78 HA LEU 78 -1.138 -8.779 5.945 604 HB2 LEU 78 1HB LEU 78 -3.262 -6.668 6.453 605 HB3 LEU 78 2HB LEU 78 -1.747 -6.399 5.595 606 HG LEU 78 HG LEU 78 -3.955 -8.279 4.677 607 HD11 LEU 78 1HD1 LEU 78 -3.175 -5.497 3.726 608 HD12 LEU 78 2HD1 LEU 78 -4.656 -5.945 4.598 609 HD13 LEU 78 3HD1 LEU 78 -4.384 -6.554 2.964 610 HD21 LEU 78 3HD2 LEU 78 -1.833 -9.070 3.822 611 HD22 LEU 78 1HD2 LEU 78 -1.406 -7.437 3.256 612 HD23 LEU 78 2HD2 LEU 78 -2.767 -8.331 2.531 613 H ASP 79 H ASP 79 -2.752 -7.860 8.966 614 HA ASP 79 HA ASP 79 -0.688 -6.212 10.097 615 HB2 ASP 79 1HB ASP 79 -3.241 -6.714 10.738 616 HB3 ASP 79 2HB ASP 79 -2.538 -7.971 11.739 617 H ASP 80 H ASP 80 -0.612 -9.510 9.392 618 HA ASP 80 HA ASP 80 1.576 -10.042 11.350 619 HB2 ASP 80 1HB ASP 80 -0.333 -11.636 11.432 620 HB3 ASP 80 2HB ASP 80 -0.180 -11.967 9.713 621 H PHE 81 H PHE 81 0.542 -10.440 7.947 622 HA PHE 81 HA PHE 81 3.008 -11.375 6.956 623 HB2 PHE 81 1HB PHE 81 0.857 -11.626 5.787 624 HB3 PHE 81 2HB PHE 81 0.797 -9.886 5.498 625 HD1 PHE 81 2HD PHE 81 2.865 -12.950 4.828 626 HD2 PHE 81 1HD PHE 81 1.934 -8.907 3.614 627 HE1 PHE 81 2HE PHE 81 4.293 -13.217 2.811 628 HE2 PHE 81 1HE PHE 81 3.343 -9.186 1.615 629 HZ PHE 81 HZ PHE 81 4.551 -11.327 1.209 630 H GLU 82 H GLU 82 1.757 -7.981 7.044 631 HA GLU 82 HA GLU 82 4.094 -6.904 5.700 632 HB2 GLU 82 1HB GLU 82 1.948 -5.490 7.333 633 HB3 GLU 82 2HB GLU 82 3.096 -4.718 6.287 634 HG2 GLU 82 1HG GLU 82 1.059 -6.708 5.210 635 HG3 GLU 82 2HG GLU 82 0.769 -5.000 5.345 636 H ASP 83 H ASP 83 4.024 -8.392 8.564 637 HA ASP 83 HA ASP 83 5.388 -8.544 10.301 638 HB2 ASP 83 1HB ASP 83 6.935 -8.014 8.048 639 HB3 ASP 83 2HB ASP 83 7.562 -6.877 9.230 640 H CYS 84 H CYS 84 3.614 -6.176 10.268 641 HA CYS 84 HA CYS 84 5.020 -4.093 11.743 642 HB2 CYS 84 1HB CYS 84 2.743 -3.163 12.094 643 HB3 CYS 84 2HB CYS 84 3.046 -3.569 10.390 644 HG CYS 84 HG CYS 84 1.969 -6.175 11.692 645 HA PRO 85 HA PRO 85 4.175 -2.616 13.663 646 HB2 PRO 85 1HB PRO 85 5.239 -1.989 16.078 647 HB3 PRO 85 2HB PRO 85 3.521 -2.438 15.866 648 HG2 PRO 85 1HG PRO 85 5.816 -4.254 16.699 649 HG3 PRO 85 2HG PRO 85 4.243 -4.033 17.524 650 HD2 PRO 85 1HD PRO 85 4.648 -6.072 15.789 651 HD3 PRO 85 2HD PRO 85 3.085 -5.211 15.831 652 H SER 86 H SER 86 6.650 -5.005 13.630 653 HA SER 86 HA SER 86 8.961 -3.479 14.193 654 HB2 SER 86 1HB SER 86 8.786 -5.838 12.294 655 HB3 SER 86 2HB SER 86 10.145 -5.369 13.327 656 HG SER 86 HG SER 86 8.241 -7.055 13.911 657 H MET 87 H MET 87 7.615 -4.481 10.986 658 HA MET 87 HA MET 87 9.472 -2.659 9.625 659 HB2 MET 87 1HB MET 87 7.265 -4.533 8.701 660 HB3 MET 87 2HB MET 87 8.086 -3.402 7.636 661 HG2 MET 87 1HG MET 87 10.213 -4.432 8.092 662 HG3 MET 87 2HG MET 87 9.487 -5.558 9.223 663 HE1 MET 87 3HE MET 87 8.276 -5.732 4.707 664 HE2 MET 87 1HE MET 87 7.394 -4.775 5.905 665 HE3 MET 87 2HE MET 87 9.040 -4.293 5.417 666 H TYR 88 H TYR 88 5.934 -2.971 9.184 667 HA TYR 88 HA TYR 88 5.676 -0.026 9.077 668 HB2 TYR 88 1HB TYR 88 3.792 -2.339 8.464 669 HB3 TYR 88 2HB TYR 88 3.367 -0.642 8.265 670 HD1 TYR 88 2HD TYR 88 4.997 0.818 6.812 671 HD2 TYR 88 1HD TYR 88 4.870 -3.482 6.690 672 HE1 TYR 88 2HE TYR 88 6.031 0.858 4.567 673 HE2 TYR 88 1HE TYR 88 5.888 -3.466 4.453 674 HH TYR 88 HH TYR 88 6.598 -2.111 2.668 675 H GLN 89 H GLN 89 3.580 0.806 10.151 676 HA GLN 89 HA GLN 89 2.926 -0.669 12.670 677 HB2 GLN 89 1HB GLN 89 3.951 2.136 12.328 678 HB3 GLN 89 2HB GLN 89 2.781 1.818 13.613 679 HG2 GLN 89 1HG GLN 89 4.327 0.951 14.916 680 HG3 GLN 89 2HG GLN 89 4.786 -0.253 13.745 681 HE21 GLN 89 1HE2 GLN 89 6.676 0.151 12.398 682 HE22 GLN 89 2HE2 GLN 89 7.757 1.500 12.671 683 H ARG 90 H ARG 90 1.884 0.911 10.009 684 HA ARG 90 HA ARG 90 -0.092 1.259 8.955 685 HB2 ARG 90 1HB ARG 90 -0.576 -0.994 9.515 686 HB3 ARG 90 2HB ARG 90 -1.159 -0.582 11.106 687 HG2 ARG 90 1HG ARG 90 -2.538 0.583 8.665 688 HG3 ARG 90 2HG ARG 90 -2.784 -1.102 9.073 689 HD2 ARG 90 1HD ARG 90 -3.480 1.260 10.866 690 HD3 ARG 90 2HD ARG 90 -4.583 0.182 9.980 691 HE ARG 90 HE ARG 90 -2.908 -1.346 11.700 692 HH11 ARG 90 1HH1 ARG 90 -5.877 0.606 11.767 693 HH12 ARG 90 2HH1 ARG 90 -6.433 -0.088 13.260 694 HH21 ARG 90 1HH2 ARG 90 -3.700 -2.316 13.601 695 HH22 ARG 90 2HH2 ARG 90 -5.312 -1.982 14.115 696 H THR 91 H THR 91 -1.439 2.942 8.738 697 HA THR 91 HA THR 91 -2.535 4.283 11.142 698 HB THR 91 HB THR 91 -0.763 5.567 9.049 699 HG1 THR 91 1HG THR 91 -0.561 5.183 11.889 700 HG21 THR 91 3HG2 THR 91 -0.862 7.630 10.516 701 HG22 THR 91 1HG2 THR 91 -2.333 6.917 11.216 702 HG23 THR 91 2HG2 THR 91 -2.239 7.282 9.480 703 H ALA 92 H ALA 92 -4.140 5.872 10.559 704 HA ALA 92 HA ALA 92 -5.708 5.280 8.127 705 HB1 ALA 92 1HB ALA 92 -6.735 5.283 10.411 706 HB2 ALA 92 2HB ALA 92 -6.358 7.025 10.506 707 HB3 ALA 92 3HB ALA 92 -7.453 6.401 9.249 708 H LEU 93 H LEU 93 -5.629 6.498 6.482 709 HA LEU 93 HA LEU 93 -4.971 9.385 6.653 710 HB2 LEU 93 1HB LEU 93 -3.639 9.337 4.753 711 HB3 LEU 93 2HB LEU 93 -3.089 8.016 5.730 712 HG LEU 93 HG LEU 93 -2.983 7.065 3.667 713 HD11 LEU 93 1HD1 LEU 93 -4.859 5.593 3.076 714 HD12 LEU 93 2HD1 LEU 93 -5.923 6.415 4.165 715 HD13 LEU 93 3HD1 LEU 93 -4.527 5.523 4.818 716 HD21 LEU 93 3HD2 LEU 93 -5.391 8.485 2.677 717 HD22 LEU 93 1HD2 LEU 93 -4.293 7.442 1.788 718 HD23 LEU 93 2HD2 LEU 93 -3.710 8.982 2.440 719 H GLN 94 H GLN 94 -5.722 10.365 4.379 720 HA GLN 94 HA GLN 94 -8.570 9.528 3.959 721 HB2 GLN 94 1HB GLN 94 -8.276 11.575 5.252 722 HB3 GLN 94 2HB GLN 94 -7.243 12.260 4.003 723 HG2 GLN 94 1HG GLN 94 -9.275 13.311 3.676 724 HG3 GLN 94 2HG GLN 94 -9.339 12.049 2.462 725 HE21 GLN 94 1HE2 GLN 94 -11.177 10.871 2.490 726 HE22 GLN 94 2HE2 GLN 94 -12.410 10.970 3.738 727 H VAL 95 H VAL 95 -9.164 9.064 1.879 728 HA VAL 95 HA VAL 95 -7.207 9.406 -0.340 729 HB VAL 95 HB VAL 95 -8.912 7.079 0.594 730 HG11 VAL 95 1HG1 VAL 95 -7.385 7.065 -2.015 731 HG12 VAL 95 2HG1 VAL 95 -8.198 5.695 -1.250 732 HG13 VAL 95 3HG1 VAL 95 -9.158 7.050 -1.811 733 HG21 VAL 95 3HG2 VAL 95 -6.715 5.817 0.555 734 HG22 VAL 95 1HG2 VAL 95 -5.893 7.345 0.151 735 HG23 VAL 95 2HG2 VAL 95 -6.743 7.120 1.705 736 H GLN 96 H GLN 96 -8.218 9.659 -2.408 737 HA GLN 96 HA GLN 96 -10.936 10.825 -2.429 738 HB2 GLN 96 1HB GLN 96 -9.363 12.172 -3.607 739 HB3 GLN 96 2HB GLN 96 -8.570 10.764 -4.335 740 HG2 GLN 96 1HG GLN 96 -10.535 10.350 -5.713 741 HG3 GLN 96 2HG GLN 96 -11.392 11.724 -4.998 742 HE21 GLN 96 1HE2 GLN 96 -11.239 13.596 -6.243 743 HE22 GLN 96 2HE2 GLN 96 -9.953 13.884 -7.395 744 H VAL 97 H VAL 97 -12.591 9.773 -3.532 745 HA VAL 97 HA VAL 97 -12.165 6.992 -4.409 746 HB VAL 97 HB VAL 97 -14.754 8.577 -4.072 747 HG11 VAL 97 1HG1 VAL 97 -15.030 6.636 -5.512 748 HG12 VAL 97 2HG1 VAL 97 -14.133 5.596 -4.389 749 HG13 VAL 97 3HG1 VAL 97 -15.708 6.237 -3.927 750 HG21 VAL 97 3HG2 VAL 97 -13.708 8.405 -1.858 751 HG22 VAL 97 1HG2 VAL 97 -15.030 7.259 -1.946 752 HG23 VAL 97 2HG2 VAL 97 -13.361 6.679 -2.112 753 H LEU 98 H LEU 98 -12.019 6.588 -6.523 754 HA LEU 98 HA LEU 98 -12.069 8.841 -8.491 755 HB2 LEU 98 1HB LEU 98 -10.362 6.516 -7.985 756 HB3 LEU 98 2HB LEU 98 -11.071 6.366 -9.588 757 HG LEU 98 HG LEU 98 -10.143 8.553 -10.227 758 HD11 LEU 98 1HD1 LEU 98 -8.424 9.571 -8.703 759 HD12 LEU 98 2HD1 LEU 98 -8.916 8.445 -7.423 760 HD13 LEU 98 3HD1 LEU 98 -10.050 9.666 -8.035 761 HD21 LEU 98 3HD2 LEU 98 -7.802 7.774 -10.306 762 HD22 LEU 98 1HD2 LEU 98 -8.880 6.400 -10.540 763 HD23 LEU 98 2HD2 LEU 98 -8.099 6.634 -8.968 764 H GLU 99 H GLU 99 -13.405 5.675 -7.703 765 HA GLU 99 HA GLU 99 -15.710 5.835 -9.394 766 HB2 GLU 99 1HB GLU 99 -13.468 3.833 -9.876 767 HB3 GLU 99 2HB GLU 99 -15.135 3.263 -9.974 768 HG2 GLU 99 1HG GLU 99 -15.627 4.429 -11.873 769 HG3 GLU 99 2HG GLU 99 -14.560 5.763 -11.455 770 H TRP 100 H TRP 100 -17.309 4.360 -8.376 771 HA TRP 100 HA TRP 100 -16.451 3.089 -5.840 772 HB2 TRP 100 1HB TRP 100 -17.204 5.406 -5.351 773 HB3 TRP 100 2HB TRP 100 -18.723 5.093 -6.127 774 HD1 TRP 100 HD TRP 100 -20.695 4.203 -4.445 775 HE1 TRP 100 1HE TRP 100 -20.774 3.165 -2.410 776 HE3 TRP 100 3HE TRP 100 -15.594 3.635 -3.369 777 HZ2 TRP 100 2HZ TRP 100 -19.330 2.317 -0.305 778 HZ3 TRP 100 3HZ TRP 100 -15.085 2.709 -1.132 779 HH2 TRP 100 HH TRP 100 -16.848 1.986 0.426 780 H GLU 101 H GLU 101 -17.276 1.052 -5.823 781 HA GLU 101 HA GLU 101 -19.796 0.460 -7.236 782 HB2 GLU 101 1HB GLU 101 -17.313 -1.351 -7.091 783 HB3 GLU 101 2HB GLU 101 -18.804 -1.618 -7.975 784 HG2 GLU 101 1HG GLU 101 -18.146 0.477 -9.345 785 HG3 GLU 101 2HG GLU 101 -16.594 0.350 -8.497 786 H GLY 102 H GLY 102 -21.130 0.179 -5.209 787 HA2 GLY 102 2HA GLY 102 -20.490 -2.413 -4.026 788 HA3 GLY 102 1HA GLY 102 -19.865 -1.033 -3.100 789 H ASP 103 H ASP 103 -20.690 -0.673 -1.706 790 HA ASP 103 HA ASP 103 -23.272 0.347 -0.804 791 HB2 ASP 103 1HB ASP 103 -21.671 -1.063 0.859 792 HB3 ASP 103 2HB ASP 103 -20.563 0.280 0.541 793 H GLY 104 H GLY 104 -22.120 2.450 0.016 794 HA2 GLY 104 2HA GLY 104 -23.782 2.302 -2.108 795 HA3 GLY 104 1HA GLY 104 -23.656 3.288 -0.610 796 H ASP 105 H ASP 105 -22.971 4.976 -0.698 797 HA ASP 105 HA ASP 105 -20.920 6.268 -2.380 798 HB2 ASP 105 1HB ASP 105 -22.916 6.682 -3.290 799 HB3 ASP 105 2HB ASP 105 -23.689 7.140 -1.952 800 HA PRO 106 HA PRO 106 -19.774 7.418 2.019 801 HB2 PRO 106 1HB PRO 106 -17.147 7.510 0.617 802 HB3 PRO 106 2HB PRO 106 -17.572 6.792 2.199 803 HG2 PRO 106 1HG PRO 106 -17.088 5.381 -0.190 804 HG3 PRO 106 2HG PRO 106 -17.985 4.735 1.210 805 HD2 PRO 106 1HD PRO 106 -19.026 5.622 -1.394 806 HD3 PRO 106 2HD PRO 106 -19.822 4.649 -0.127 807 H GLY 107 H GLY 107 -19.133 8.560 -1.322 808 HA2 GLY 107 2HA GLY 107 -19.514 10.917 -1.852 809 HA3 GLY 107 1HA GLY 107 -18.693 11.332 -0.332 810 H ASP 108 H ASP 108 -17.479 12.538 -2.212 811 HA ASP 108 HA ASP 108 -15.854 11.069 -4.075 812 HB2 ASP 108 1HB ASP 108 -16.664 13.438 -4.339 813 HB3 ASP 108 2HB ASP 108 -15.483 13.902 -3.099 814 H SER 109 H SER 109 -15.384 11.567 -0.689 815 HA SER 109 HA SER 109 -12.640 10.575 -1.018 816 HB2 SER 109 1HB SER 109 -11.959 11.914 1.002 817 HB3 SER 109 2HB SER 109 -12.153 12.808 -0.484 818 HG SER 109 HG SER 109 -13.987 13.698 0.216 819 H VAL 110 H VAL 110 -11.874 9.302 0.819 820 HA VAL 110 HA VAL 110 -13.828 8.559 2.846 821 HB VAL 110 HB VAL 110 -14.195 7.217 0.719 822 HG11 VAL 110 1HG1 VAL 110 -11.825 6.762 0.119 823 HG12 VAL 110 2HG1 VAL 110 -11.698 5.702 1.546 824 HG13 VAL 110 3HG1 VAL 110 -12.824 5.301 0.229 825 HG21 VAL 110 3HG2 VAL 110 -13.749 5.848 3.341 826 HG22 VAL 110 1HG2 VAL 110 -15.203 6.643 2.705 827 HG23 VAL 110 2HG2 VAL 110 -14.620 5.146 1.943 828 H GLN 111 H GLN 111 -12.866 7.544 4.620 829 HA GLN 111 HA GLN 111 -9.906 7.954 4.851 830 HB2 GLN 111 1HB GLN 111 -11.070 9.032 6.615 831 HB3 GLN 111 2HB GLN 111 -11.978 7.570 7.012 832 HG2 GLN 111 1HG GLN 111 -10.312 6.743 8.263 833 HG3 GLN 111 2HG GLN 111 -9.096 7.020 7.078 834 HE21 GLN 111 1HE2 GLN 111 -7.446 8.208 7.669 835 HE22 GLN 111 2HE2 GLN 111 -7.514 9.523 8.855 836 H CYS 112 H CYS 112 -8.512 6.213 5.248 837 HA CYS 112 HA CYS 112 -9.531 3.514 5.516 838 HB2 CYS 112 1HB CYS 112 -7.849 3.113 3.374 839 HB3 CYS 112 2HB CYS 112 -9.622 3.207 3.245 840 HG CYS 112 HG CYS 112 -9.568 5.855 2.863 841 H PHE 113 H PHE 113 -7.615 1.967 5.568 842 HA PHE 113 HA PHE 113 -5.394 3.220 7.052 843 HB2 PHE 113 1HB PHE 113 -6.262 0.332 6.701 844 HB3 PHE 113 2HB PHE 113 -4.844 0.822 7.579 845 HD1 PHE 113 2HD PHE 113 -5.267 2.742 9.407 846 HD2 PHE 113 1HD PHE 113 -8.244 -0.048 8.014 847 HE1 PHE 113 2HE PHE 113 -6.569 3.083 11.496 848 HE2 PHE 113 1HE PHE 113 -9.480 0.235 10.123 849 HZ PHE 113 HZ PHE 113 -8.656 1.784 11.879 850 H VAL 114 H VAL 114 -3.249 2.811 6.491 851 HA VAL 114 HA VAL 114 -2.541 1.346 4.065 852 HB VAL 114 HB VAL 114 -1.798 4.248 4.621 853 HG11 VAL 114 1HG1 VAL 114 -0.472 2.464 2.516 854 HG12 VAL 114 2HG1 VAL 114 -0.197 4.191 2.778 855 HG13 VAL 114 3HG1 VAL 114 0.321 3.020 3.989 856 HG21 VAL 114 3HG2 VAL 114 -2.749 2.885 2.046 857 HG22 VAL 114 1HG2 VAL 114 -3.824 3.719 3.157 858 HG23 VAL 114 2HG2 VAL 114 -2.559 4.633 2.319 859 H TYR 115 H TYR 115 -0.503 0.361 4.362 860 HA TYR 115 HA TYR 115 0.497 0.201 7.113 861 HB2 TYR 115 1HB TYR 115 1.105 -1.235 4.541 862 HB3 TYR 115 2HB TYR 115 2.178 -1.365 5.928 863 HD1 TYR 115 1HD TYR 115 1.421 -2.287 8.086 864 HD2 TYR 115 2HD TYR 115 -1.143 -2.282 4.621 865 HE1 TYR 115 1HE TYR 115 -0.097 -3.858 9.233 866 HE2 TYR 115 2HE TYR 115 -2.713 -3.831 5.794 867 HH TYR 115 HH TYR 115 -1.950 -5.549 8.604 868 H THR 116 H THR 116 1.228 2.259 7.535 869 HA THR 116 HA THR 116 3.522 3.289 5.990 870 HB THR 116 HB THR 116 2.994 5.326 7.525 871 HG1 THR 116 1HG THR 116 1.567 4.247 8.953 872 HG21 THR 116 3HG2 THR 116 1.298 6.096 5.983 873 HG22 THR 116 1HG2 THR 116 0.877 4.422 5.560 874 HG23 THR 116 2HG2 THR 116 2.455 5.105 5.107 875 H THR 117 H THR 117 5.126 4.533 7.427 876 HA THR 117 HA THR 117 5.804 3.115 9.923 877 HB THR 117 HB THR 117 7.265 2.012 8.446 878 HG1 THR 117 1HG THR 117 9.292 2.882 8.879 879 HG21 THR 117 3HG2 THR 117 6.947 3.153 6.343 880 HG22 THR 117 1HG2 THR 117 8.673 3.214 6.708 881 HG23 THR 117 2HG2 THR 117 7.663 4.642 6.986 882 H ALA 118 H ALA 118 6.799 4.493 11.421 883 HA ALA 118 HA ALA 118 7.045 7.374 10.686 884 HB1 ALA 118 1HB ALA 118 6.804 7.757 13.180 885 HB2 ALA 118 2HB ALA 118 5.353 7.203 12.352 886 HB3 ALA 118 3HB ALA 118 6.315 6.063 13.334 887 H THR 119 H THR 119 8.839 4.549 11.130 888 HA THR 119 HA THR 119 10.828 5.648 12.991 889 HB THR 119 HB THR 119 11.198 3.120 13.318 890 HG1 THR 119 1HG THR 119 10.191 2.031 11.783 891 HG21 THR 119 3HG2 THR 119 9.222 2.917 14.719 892 HG22 THR 119 1HG2 THR 119 8.419 4.252 13.871 893 HG23 THR 119 2HG2 THR 119 9.880 4.560 14.837 894 H TYR 120 H TYR 120 10.793 6.092 10.034 895 HA TYR 120 HA TYR 120 12.607 4.326 8.779 896 HB2 TYR 120 1HB TYR 120 12.434 6.119 6.938 897 HB3 TYR 120 2HB TYR 120 10.932 5.382 7.488 898 HD1 TYR 120 2HD TYR 120 13.030 8.421 7.673 899 HD2 TYR 120 1HD TYR 120 9.186 6.722 8.586 900 HE1 TYR 120 2HE TYR 120 12.309 10.587 8.612 901 HE2 TYR 120 1HE TYR 120 8.407 8.944 9.415 902 HH TYR 120 HH TYR 120 10.602 11.778 9.633 903 H ALA 121 H ALA 121 14.622 4.927 7.739 904 HA ALA 121 HA ALA 121 16.588 6.035 9.524 905 HB1 ALA 121 1HB ALA 121 16.814 5.228 6.580 906 HB2 ALA 121 2HB ALA 121 18.137 5.316 7.763 907 HB3 ALA 121 3HB ALA 121 16.875 4.078 7.925 908 HA PRO 122 HA PRO 122 16.873 10.263 8.110 909 HB2 PRO 122 1HB PRO 122 19.652 10.403 7.575 910 HB3 PRO 122 2HB PRO 122 18.684 11.070 8.896 911 HG2 PRO 122 1HG PRO 122 20.417 8.707 8.908 912 HG3 PRO 122 2HG PRO 122 19.590 9.462 10.294 913 HD2 PRO 122 1HD PRO 122 18.934 7.001 9.025 914 HD3 PRO 122 2HD PRO 122 17.970 7.865 10.250 915 H GLU 123 H GLU 123 19.086 8.298 6.138 916 HA GLU 123 HA GLU 123 19.082 9.635 3.814 917 HB2 GLU 123 1HB GLU 123 19.162 7.160 2.775 918 HB3 GLU 123 2HB GLU 123 20.515 7.987 3.509 919 HG2 GLU 123 1HG GLU 123 18.760 6.259 5.279 920 HG3 GLU 123 2HG GLU 123 19.888 5.490 4.150 921 H TRP 124 H TRP 124 16.249 7.867 4.904 922 HA TRP 124 HA TRP 124 15.299 7.421 2.208 923 HB2 TRP 124 1HB TRP 124 13.975 7.074 4.901 924 HB3 TRP 124 2HB TRP 124 13.283 6.567 3.372 925 HD1 TRP 124 HD TRP 124 16.895 5.732 3.182 926 HE1 TRP 124 1HE TRP 124 17.316 3.307 3.664 927 HE3 TRP 124 3HE TRP 124 12.282 4.514 4.963 928 HZ2 TRP 124 2HZ TRP 124 15.830 1.029 4.805 929 HZ3 TRP 124 3HZ TRP 124 11.792 2.230 5.710 930 HH2 TRP 124 HH TRP 124 13.565 0.469 5.674 931 H LEU 125 H LEU 125 15.406 10.252 3.988 932 HA LEU 125 HA LEU 125 13.008 11.394 2.633 933 HB2 LEU 125 1HB LEU 125 14.954 12.485 4.687 934 HB3 LEU 125 2HB LEU 125 13.667 13.442 3.965 935 HG LEU 125 HG LEU 125 13.151 10.876 5.530 936 HD11 LEU 125 1HD1 LEU 125 14.252 12.651 6.857 937 HD12 LEU 125 2HD1 LEU 125 12.581 12.327 7.377 938 HD13 LEU 125 3HD1 LEU 125 12.921 13.771 6.404 939 HD21 LEU 125 3HD2 LEU 125 10.831 11.776 5.682 940 HD22 LEU 125 1HD2 LEU 125 11.296 11.395 4.027 941 HD23 LEU 125 2HD2 LEU 125 11.287 13.090 4.575 942 H PHE 126 H PHE 126 16.419 11.020 2.052 943 HA PHE 126 HA PHE 126 16.595 13.530 0.512 944 HB2 PHE 126 1HB PHE 126 18.604 11.278 0.619 945 HB3 PHE 126 2HB PHE 126 18.872 12.937 0.104 946 HD1 PHE 126 2HD PHE 126 17.694 14.539 2.354 947 HD2 PHE 126 1HD PHE 126 20.041 10.935 2.417 948 HE1 PHE 126 2HE PHE 126 18.343 15.013 4.680 949 HE2 PHE 126 1HE PHE 126 20.600 11.353 4.807 950 HZ PHE 126 HZ PHE 126 19.780 13.405 5.937 951 H LEU 127 H LEU 127 15.970 10.133 0.065 952 HA LEU 127 HA LEU 127 16.617 9.760 -2.626 953 HB2 LEU 127 1HB LEU 127 14.305 8.443 -1.153 954 HB3 LEU 127 2HB LEU 127 15.180 7.766 -2.512 955 HG LEU 127 HG LEU 127 16.187 8.201 0.301 956 HD11 LEU 127 1HD1 LEU 127 16.409 5.760 0.377 957 HD12 LEU 127 2HD1 LEU 127 15.773 5.642 -1.283 958 HD13 LEU 127 3HD1 LEU 127 14.750 6.245 0.028 959 HD21 LEU 127 3HD2 LEU 127 18.045 8.666 -1.286 960 HD22 LEU 127 1HD2 LEU 127 17.791 7.054 -2.018 961 HD23 LEU 127 2HD2 LEU 127 18.317 7.259 -0.310 962 HA PRO 128 HA PRO 128 13.429 11.840 -4.895 963 HB2 PRO 128 1HB PRO 128 13.073 10.317 -7.140 964 HB3 PRO 128 2HB PRO 128 14.567 11.259 -6.843 965 HG2 PRO 128 1HG PRO 128 14.078 8.314 -6.313 966 HG3 PRO 128 2HG PRO 128 15.477 9.077 -7.135 967 HD2 PRO 128 1HD PRO 128 15.540 8.356 -4.513 968 HD3 PRO 128 2HD PRO 128 16.396 9.802 -5.099 969 H TYR 129 H TYR 129 11.155 11.742 -5.344 970 HA TYR 129 HA TYR 129 9.742 9.452 -4.130 971 HB2 TYR 129 1HB TYR 129 8.926 12.320 -4.722 972 HB3 TYR 129 2HB TYR 129 7.878 11.120 -3.987 973 HD1 TYR 129 2HD TYR 129 9.430 9.757 -2.004 974 HD2 TYR 129 1HD TYR 129 9.600 13.918 -3.127 975 HE1 TYR 129 2HE TYR 129 10.298 10.343 0.241 976 HE2 TYR 129 1HE TYR 129 10.372 14.504 -0.883 977 HH TYR 129 HH TYR 129 10.958 11.945 1.606 978 H HIS 130 H HIS 130 7.643 8.845 -5.051 979 HA HIS 130 HA HIS 130 7.577 9.010 -8.022 980 HB2 HIS 130 1HB HIS 130 7.356 6.440 -6.412 981 HB3 HIS 130 2HB HIS 130 7.450 6.597 -8.163 982 HD1 HIS 130 1HD HIS 130 10.036 7.743 -8.971 983 HD2 HIS 130 2HD HIS 130 9.575 6.080 -5.117 984 HE1 HIS 130 1HE HIS 130 12.361 7.325 -8.094 985 H GLU 131 H GLU 131 5.502 8.249 -8.939 986 HA GLU 131 HA GLU 131 3.390 9.252 -7.182 987 HB2 GLU 131 1HB GLU 131 4.306 10.156 -9.541 988 HB3 GLU 131 2HB GLU 131 3.004 9.141 -10.130 989 HG2 GLU 131 1HG GLU 131 1.438 10.379 -8.447 990 HG3 GLU 131 2HG GLU 131 2.803 11.440 -8.140 991 H SER 132 H SER 132 4.244 6.341 -8.518 992 HA SER 132 HA SER 132 1.921 5.005 -7.525 993 HB2 SER 132 1HB SER 132 0.909 5.693 -9.658 994 HB3 SER 132 2HB SER 132 2.299 5.102 -10.552 995 HG SER 132 HG SER 132 0.928 3.507 -10.742 996 H TYR 133 H TYR 133 2.303 2.654 -7.632 997 HA TYR 133 HA TYR 133 5.205 2.009 -7.989 998 HB2 TYR 133 1HB TYR 133 4.313 1.695 -5.679 999 HB3 TYR 133 2HB TYR 133 3.165 0.519 -6.318 1000 HD1 TYR 133 2HD TYR 133 6.803 1.342 -6.068 1001 HD2 TYR 133 1HD TYR 133 3.904 -1.769 -6.794 1002 HE1 TYR 133 2HE TYR 133 8.613 -0.288 -6.170 1003 HE2 TYR 133 1HE TYR 133 5.747 -3.439 -6.951 1004 HH TYR 133 HH TYR 133 9.130 -2.422 -6.932 1005 H ASP 134 H ASP 134 5.753 0.098 -9.109 1006 HA ASP 134 HA ASP 134 3.764 -1.569 -10.332 1007 HB2 ASP 134 1HB ASP 134 4.597 -1.085 -12.656 1008 HB3 ASP 134 2HB ASP 134 3.682 0.250 -11.999 1009 H SER 135 H SER 135 4.868 -3.315 -11.433 1010 HA SER 135 HA SER 135 7.708 -3.784 -10.771 1011 HB2 SER 135 1HB SER 135 5.556 -5.325 -10.526 1012 HB3 SER 135 2HB SER 135 5.905 -5.719 -12.208 1013 HG SER 135 HG SER 135 6.718 -7.098 -10.699 1014 H GLU 136 H GLU 136 6.388 -1.981 -13.115 1015 HA GLU 136 HA GLU 136 7.971 -3.087 -15.405 1016 HB2 GLU 136 1HB GLU 136 5.101 -2.113 -15.459 1017 HB3 GLU 136 2HB GLU 136 6.058 -2.658 -16.841 1018 HG2 GLU 136 1HG GLU 136 6.108 -4.951 -15.962 1019 HG3 GLU 136 2HG GLU 136 5.168 -4.433 -14.536 1020 H GLY 137 H GLY 137 7.593 -0.422 -13.486 1021 HA2 GLY 137 2HA GLY 137 7.496 1.709 -15.386 1022 HA3 GLY 137 1HA GLY 137 7.707 1.798 -13.658 1023 HA PRO 138 HA PRO 138 11.853 2.767 -15.566 1024 HB2 PRO 138 1HB PRO 138 12.238 5.263 -14.543 1025 HB3 PRO 138 2HB PRO 138 11.233 4.944 -15.990 1026 HG2 PRO 138 1HG PRO 138 10.315 5.312 -13.123 1027 HG3 PRO 138 2HG PRO 138 9.664 6.085 -14.608 1028 HD2 PRO 138 1HD PRO 138 8.539 3.872 -13.468 1029 HD3 PRO 138 2HD PRO 138 8.518 4.156 -15.227 1030 H HIS 139 H HIS 139 10.915 1.638 -12.752 1031 HA HIS 139 HA HIS 139 13.158 2.376 -10.999 1032 HB2 HIS 139 1HB HIS 139 10.888 0.573 -10.172 1033 HB3 HIS 139 2HB HIS 139 11.933 1.589 -9.218 1034 HD1 HIS 139 1HD HIS 139 11.370 4.246 -9.152 1035 HD2 HIS 139 2HD HIS 139 8.629 1.715 -11.128 1036 HE1 HIS 139 1HE HIS 139 9.183 5.574 -9.462 1037 H GLY 140 H GLY 140 14.696 1.335 -12.170 1038 HA2 GLY 140 2HA GLY 140 14.612 -1.184 -13.431 1039 HA3 GLY 140 1HA GLY 140 16.104 -0.493 -12.758 1040 H LEU 141 H LEU 141 15.291 -0.554 -10.060 1041 HA LEU 141 HA LEU 141 15.546 -3.264 -9.160 1042 HB2 LEU 141 1HB LEU 141 15.309 -2.270 -6.974 1043 HB3 LEU 141 2HB LEU 141 16.449 -1.357 -7.926 1044 HG LEU 141 HG LEU 141 13.651 -0.578 -7.038 1045 HD11 LEU 141 1HD1 LEU 141 14.898 1.201 -5.825 1046 HD12 LEU 141 2HD1 LEU 141 16.422 0.599 -6.498 1047 HD13 LEU 141 3HD1 LEU 141 15.497 -0.413 -5.364 1048 HD21 LEU 141 3HD2 LEU 141 13.760 0.332 -9.137 1049 HD22 LEU 141 1HD2 LEU 141 15.447 0.908 -8.931 1050 HD23 LEU 141 2HD2 LEU 141 14.123 1.664 -8.030 1051 H ARG 142 H ARG 142 13.855 -4.770 -9.228 1052 HA ARG 142 HA ARG 142 11.159 -3.680 -8.547 1053 HB2 ARG 142 1HB ARG 142 11.382 -6.465 -9.582 1054 HB3 ARG 142 2HB ARG 142 10.058 -5.320 -9.739 1055 HG2 ARG 142 1HG ARG 142 12.596 -5.580 -11.327 1056 HG3 ARG 142 2HG ARG 142 10.938 -5.776 -11.898 1057 HD2 ARG 142 1HD ARG 142 12.596 -3.324 -11.524 1058 HD3 ARG 142 2HD ARG 142 11.598 -3.806 -12.881 1059 HE ARG 142 HE ARG 142 10.767 -2.584 -10.300 1060 HH11 ARG 142 1HH1 ARG 142 10.710 -2.433 -13.764 1061 HH12 ARG 142 2HH1 ARG 142 9.824 -0.976 -13.793 1062 HH21 ARG 142 1HH2 ARG 142 8.786 -1.382 -10.346 1063 HH22 ARG 142 2HH2 ARG 142 8.446 -0.487 -11.716 1064 H TYR 143 H TYR 143 9.756 -5.248 -7.155 1065 HA TYR 143 HA TYR 143 11.079 -5.715 -4.696 1066 HB2 TYR 143 1HB TYR 143 8.612 -5.543 -4.902 1067 HB3 TYR 143 2HB TYR 143 8.592 -7.035 -5.816 1068 HD1 TYR 143 1HD TYR 143 10.252 -6.146 -2.504 1069 HD2 TYR 143 2HD TYR 143 7.467 -8.668 -4.645 1070 HE1 TYR 143 1HE TYR 143 9.910 -7.526 -0.471 1071 HE2 TYR 143 2HE TYR 143 7.017 -9.923 -2.565 1072 HH TYR 143 HH TYR 143 8.009 -10.516 -0.462 1073 H ASN 144 H ASN 144 12.064 -7.522 -3.749 1074 HA ASN 144 HA ASN 144 12.599 -9.818 -5.592 1075 HB2 ASN 144 1HB ASN 144 14.462 -7.959 -4.225 1076 HB3 ASN 144 2HB ASN 144 14.853 -9.672 -4.049 1077 HD21 ASN 144 1HD2 ASN 144 16.728 -9.474 -5.500 1078 HD22 ASN 144 2HD2 ASN 144 16.333 -9.655 -7.227 1079 HA PRO 145 HA PRO 145 10.576 -11.427 -1.829 1080 HB2 PRO 145 1HB PRO 145 8.952 -13.275 -3.074 1081 HB3 PRO 145 2HB PRO 145 8.564 -11.548 -2.857 1082 HG2 PRO 145 1HG PRO 145 9.680 -12.881 -5.322 1083 HG3 PRO 145 2HG PRO 145 8.344 -11.699 -5.210 1084 HD2 PRO 145 1HD PRO 145 10.884 -10.996 -5.871 1085 HD3 PRO 145 2HD PRO 145 9.838 -9.927 -4.901 1086 H ARG 146 H ARG 146 11.844 -13.383 -4.607 1087 HA ARG 146 HA ARG 146 13.169 -15.170 -2.662 1088 HB2 ARG 146 1HB ARG 146 10.694 -15.847 -3.334 1089 HB3 ARG 146 2HB ARG 146 11.437 -16.322 -4.860 1090 HG2 ARG 146 1HG ARG 146 13.140 -17.600 -3.118 1091 HG3 ARG 146 2HG ARG 146 11.722 -17.430 -2.090 1092 HD2 ARG 146 1HD ARG 146 10.451 -18.338 -4.248 1093 HD3 ARG 146 2HD ARG 146 12.051 -18.917 -4.712 1094 HE ARG 146 HE ARG 146 10.727 -19.613 -2.117 1095 HH11 ARG 146 1HH1 ARG 146 12.114 -20.915 -5.221 1096 HH12 ARG 146 2HH1 ARG 146 11.724 -22.529 -4.720 1097 HH21 ARG 146 1HH2 ARG 146 10.496 -21.847 -1.577 1098 HH22 ARG 146 2HH2 ARG 146 10.945 -23.054 -2.757 1099 H GLU 147 H GLU 147 14.054 -13.230 -4.928 1100 HA GLU 147 HA GLU 147 14.981 -14.810 -7.112 1101 HB2 GLU 147 1HB GLU 147 15.854 -12.152 -5.945 1102 HB3 GLU 147 2HB GLU 147 16.667 -12.912 -7.300 1103 HG2 GLU 147 1HG GLU 147 13.999 -13.037 -8.093 1104 HG3 GLU 147 2HG GLU 147 14.085 -11.507 -7.231 1105 H ASN 148 H ASN 148 16.664 -13.563 -4.271 1106 HA ASN 148 HA ASN 148 18.754 -15.671 -4.586 1107 HB2 ASN 148 1HB ASN 148 19.001 -12.865 -3.443 1108 HB3 ASN 148 2HB ASN 148 20.306 -14.035 -3.672 1109 HD21 ASN 148 1HD2 ASN 148 19.244 -11.233 -5.168 1110 HD22 ASN 148 2HD2 ASN 148 19.316 -11.731 -6.833 1111 H ARG 149 H ARG 149 16.138 -15.366 -2.917 1112 HA ARG 149 HA ARG 149 15.271 -15.250 -0.883 1113 HB2 ARG 149 1HB ARG 149 16.609 -17.582 -0.704 1114 HB3 ARG 149 2HB ARG 149 17.565 -16.659 0.440 1115 HG2 ARG 149 1HG ARG 149 15.905 -17.742 1.743 1116 HG3 ARG 149 2HG ARG 149 15.363 -16.070 1.629 1117 HD2 ARG 149 1HD ARG 149 14.185 -17.121 -0.597 1118 HD3 ARG 149 2HD ARG 149 14.221 -18.564 0.410 1119 HE ARG 149 HE ARG 149 12.481 -16.269 0.645 1120 HH11 ARG 149 1HH1 ARG 149 14.193 -18.414 2.883 1121 HH12 ARG 149 2HH1 ARG 149 12.916 -18.406 4.052 1122 HH21 ARG 149 1HH2 ARG 149 10.910 -16.215 2.098 1123 HH22 ARG 149 2HH2 ARG 149 10.962 -17.050 3.624 Start of MODEL 4 1 H1 MET 1 H MET 1 -16.375 -4.886 9.163 2 HA MET 1 HA MET 1 -15.112 -6.333 6.902 3 HB2 MET 1 1HB MET 1 -17.118 -4.077 6.851 4 HB3 MET 1 2HB MET 1 -16.129 -4.527 5.447 5 HG2 MET 1 1HG MET 1 -17.166 -6.652 5.269 6 HG3 MET 1 2HG MET 1 -17.878 -6.548 6.891 7 HE1 MET 1 3HE MET 1 -21.045 -6.486 4.600 8 HE2 MET 1 1HE MET 1 -19.534 -7.379 4.313 9 HE3 MET 1 2HE MET 1 -20.216 -7.288 5.956 10 H ALA 2 H ALA 2 -15.554 -2.812 7.305 11 HA ALA 2 HA ALA 2 -14.237 -1.088 7.366 12 HB1 ALA 2 1HB ALA 2 -11.924 -1.131 8.134 13 HB2 ALA 2 2HB ALA 2 -12.976 -2.005 9.269 14 HB3 ALA 2 3HB ALA 2 -11.910 -2.888 8.156 15 H HIS 3 H HIS 3 -12.296 -0.157 6.000 16 HA HIS 3 HA HIS 3 -12.074 -1.563 3.396 17 HB2 HIS 3 1HB HIS 3 -12.869 1.353 3.876 18 HB3 HIS 3 2HB HIS 3 -12.383 0.692 2.326 19 HD1 HIS 3 1HD HIS 3 -15.457 1.279 4.258 20 HD2 HIS 3 2HD HIS 3 -14.014 -1.295 1.276 21 HE1 HIS 3 1HE HIS 3 -17.508 0.106 3.249 22 H ILE 4 H ILE 4 -10.129 -1.178 2.358 23 HA ILE 4 HA ILE 4 -8.135 0.581 3.705 24 HB ILE 4 HB ILE 4 -6.388 -1.014 3.267 25 HG12 ILE 4 1HG1 ILE 4 -8.573 -2.971 2.387 26 HG13 ILE 4 2HG1 ILE 4 -7.437 -2.176 1.305 27 HG21 ILE 4 1HG2 ILE 4 -8.369 -2.700 4.739 28 HG22 ILE 4 2HG2 ILE 4 -6.686 -2.326 5.140 29 HG23 ILE 4 3HG2 ILE 4 -7.952 -1.121 5.409 30 HD11 ILE 4 3HD1 ILE 4 -5.545 -3.206 2.624 31 HD12 ILE 4 1HD1 ILE 4 -6.755 -4.150 3.524 32 HD13 ILE 4 2HD1 ILE 4 -6.586 -4.367 1.768 33 H PHE 5 H PHE 5 -6.259 1.004 2.162 34 HA PHE 5 HA PHE 5 -7.126 1.159 -0.676 35 HB2 PHE 5 1HB PHE 5 -7.192 3.326 0.386 36 HB3 PHE 5 2HB PHE 5 -5.595 3.104 1.075 37 HD1 PHE 5 1HD PHE 5 -7.430 3.400 -2.185 38 HD2 PHE 5 2HD PHE 5 -3.698 3.919 -0.095 39 HE1 PHE 5 1HE PHE 5 -6.495 4.576 -4.143 40 HE2 PHE 5 2HE PHE 5 -2.732 5.018 -2.086 41 HZ PHE 5 HZ PHE 5 -4.134 5.414 -4.090 42 H VAL 6 H VAL 6 -5.728 0.170 -2.079 43 HA VAL 6 HA VAL 6 -3.124 -0.810 -1.067 44 HB VAL 6 HB VAL 6 -2.996 -2.234 -3.033 45 HG11 VAL 6 1HG1 VAL 6 -5.400 -2.847 -1.310 46 HG12 VAL 6 2HG1 VAL 6 -4.458 -3.965 -2.340 47 HG13 VAL 6 3HG1 VAL 6 -3.692 -3.198 -0.940 48 HG21 VAL 6 3HG2 VAL 6 -5.894 -1.453 -3.464 49 HG22 VAL 6 1HG2 VAL 6 -4.559 -1.085 -4.542 50 HG23 VAL 6 2HG2 VAL 6 -5.028 -2.774 -4.296 51 H TYR 7 H TYR 7 -1.294 -0.364 -2.430 52 HA TYR 7 HA TYR 7 -1.540 1.445 -4.771 53 HB2 TYR 7 1HB TYR 7 0.521 2.655 -3.663 54 HB3 TYR 7 2HB TYR 7 -1.140 3.155 -3.373 55 HD1 TYR 7 2HD TYR 7 -2.336 2.405 -1.283 56 HD2 TYR 7 1HD TYR 7 1.939 2.036 -1.750 57 HE1 TYR 7 2HE TYR 7 -2.125 1.938 1.118 58 HE2 TYR 7 1HE TYR 7 2.161 1.669 0.680 59 HH TYR 7 HH TYR 7 0.982 1.027 2.589 60 H GLY 8 H GLY 8 0.054 -1.069 -3.022 61 HA2 GLY 8 2HA GLY 8 2.369 -1.221 -4.854 62 HA3 GLY 8 1HA GLY 8 2.304 -1.679 -3.142 63 H THR 9 H THR 9 2.502 -3.844 -2.954 64 HA THR 9 HA THR 9 2.453 -5.406 -5.273 65 HB THR 9 HB THR 9 3.034 -7.230 -3.914 66 HG1 THR 9 1HG THR 9 3.013 -6.096 -1.445 67 HG21 THR 9 3HG2 THR 9 5.011 -6.290 -2.776 68 HG22 THR 9 1HG2 THR 9 4.291 -4.690 -2.781 69 HG23 THR 9 2HG2 THR 9 4.746 -5.451 -4.318 70 H LEU 10 H LEU 10 -0.049 -5.164 -2.699 71 HA LEU 10 HA LEU 10 -1.624 -7.328 -3.839 72 HB2 LEU 10 1HB LEU 10 -2.145 -5.236 -1.675 73 HB3 LEU 10 2HB LEU 10 -3.314 -6.479 -2.092 74 HG LEU 10 HG LEU 10 -0.481 -7.143 -1.207 75 HD11 LEU 10 1HD1 LEU 10 -2.977 -7.116 0.503 76 HD12 LEU 10 2HD1 LEU 10 -1.619 -5.967 0.602 77 HD13 LEU 10 3HD1 LEU 10 -1.362 -7.666 0.996 78 HD21 LEU 10 3HD2 LEU 10 -1.030 -9.210 -1.803 79 HD22 LEU 10 1HD2 LEU 10 -2.689 -8.726 -2.241 80 HD23 LEU 10 2HD2 LEU 10 -2.316 -9.224 -0.590 81 H LYS 11 H LYS 11 -1.096 -4.341 -5.195 82 HA LYS 11 HA LYS 11 -3.919 -3.842 -5.925 83 HB2 LYS 11 1HB LYS 11 -2.633 -1.968 -5.197 84 HB3 LYS 11 2HB LYS 11 -1.378 -2.268 -6.362 85 HG2 LYS 11 1HG LYS 11 -3.247 -1.905 -8.189 86 HG3 LYS 11 2HG LYS 11 -4.111 -1.104 -6.868 87 HD2 LYS 11 1HD LYS 11 -2.190 0.374 -6.487 88 HD3 LYS 11 2HD LYS 11 -1.224 -0.502 -7.676 89 HE2 LYS 11 1HE LYS 11 -2.771 0.199 -9.471 90 HE3 LYS 11 2HE LYS 11 -3.697 1.155 -8.314 91 HZ1 LYS 11 3HZ LYS 11 -0.798 1.524 -8.834 92 HZ2 LYS 11 1HZ LYS 11 -1.715 2.503 -7.919 93 HZ3 LYS 11 2HZ LYS 11 -1.969 2.427 -9.556 94 H ARG 12 H ARG 12 -1.024 -3.743 -8.155 95 HA ARG 12 HA ARG 12 -2.737 -4.640 -10.268 96 HB2 ARG 12 1HB ARG 12 0.227 -4.228 -10.032 97 HB3 ARG 12 2HB ARG 12 -0.371 -5.165 -11.386 98 HG2 ARG 12 1HG ARG 12 0.048 -2.798 -11.887 99 HG3 ARG 12 2HG ARG 12 -1.497 -3.442 -12.394 100 HD2 ARG 12 1HD ARG 12 -2.708 -2.189 -10.793 101 HD3 ARG 12 2HD ARG 12 -1.278 -1.934 -9.789 102 HE ARG 12 HE ARG 12 -0.400 -0.380 -11.230 103 HH11 ARG 12 1HH1 ARG 12 -3.448 -1.620 -12.698 104 HH12 ARG 12 2HH1 ARG 12 -3.630 -0.269 -13.750 105 HH21 ARG 12 1HH2 ARG 12 -0.803 1.492 -12.577 106 HH22 ARG 12 2HH2 ARG 12 -2.265 1.588 -13.521 107 H GLY 13 H GLY 13 0.230 -6.497 -9.722 108 HA2 GLY 13 2HA GLY 13 -1.160 -9.074 -9.372 109 HA3 GLY 13 1HA GLY 13 -0.531 -8.669 -10.984 110 H GLN 14 H GLN 14 1.091 -7.411 -8.204 111 HA GLN 14 HA GLN 14 3.671 -8.473 -8.777 112 HB2 GLN 14 1HB GLN 14 2.299 -6.922 -6.686 113 HB3 GLN 14 2HB GLN 14 3.606 -7.882 -6.057 114 HG2 GLN 14 1HG GLN 14 4.829 -6.091 -6.591 115 HG3 GLN 14 2HG GLN 14 4.877 -6.762 -8.217 116 HE21 GLN 14 1HE2 GLN 14 3.028 -5.842 -9.839 117 HE22 GLN 14 2HE2 GLN 14 2.651 -4.172 -9.520 118 HA PRO 15 HA PRO 15 3.783 -12.532 -7.462 119 HB2 PRO 15 1HB PRO 15 6.121 -12.795 -5.987 120 HB3 PRO 15 2HB PRO 15 6.045 -12.537 -7.757 121 HG2 PRO 15 1HG PRO 15 6.496 -10.523 -5.554 122 HG3 PRO 15 2HG PRO 15 7.332 -10.660 -7.137 123 HD2 PRO 15 1HD PRO 15 5.352 -8.854 -6.707 124 HD3 PRO 15 2HD PRO 15 5.606 -9.673 -8.286 125 H ASN 16 H ASN 16 2.866 -10.321 -5.254 126 HA ASN 16 HA ASN 16 2.796 -12.121 -2.916 127 HB2 ASN 16 1HB ASN 16 2.785 -9.120 -2.681 128 HB3 ASN 16 2HB ASN 16 3.313 -10.333 -1.533 129 HD21 ASN 16 1HD2 ASN 16 4.521 -7.983 -3.516 130 HD22 ASN 16 2HD2 ASN 16 6.016 -8.706 -4.093 131 H HIS 17 H HIS 17 1.030 -10.268 -5.341 132 HA HIS 17 HA HIS 17 -1.269 -9.473 -3.964 133 HB2 HIS 17 1HB HIS 17 -0.655 -8.937 -6.340 134 HB3 HIS 17 2HB HIS 17 -1.083 -10.581 -6.788 135 HD1 HIS 17 1HD HIS 17 -2.671 -7.267 -6.916 136 HD2 HIS 17 2HD HIS 17 -3.849 -11.158 -5.852 137 HE1 HIS 17 1HE HIS 17 -5.159 -7.310 -7.030 138 H LYS 18 H LYS 18 -0.279 -12.672 -5.183 139 HA LYS 18 HA LYS 18 -2.657 -14.052 -4.872 140 HB2 LYS 18 1HB LYS 18 -1.362 -16.102 -4.710 141 HB3 LYS 18 2HB LYS 18 -0.853 -15.051 -6.009 142 HG2 LYS 18 1HG LYS 18 1.058 -16.067 -5.058 143 HG3 LYS 18 2HG LYS 18 1.135 -14.349 -4.714 144 HD2 LYS 18 1HD LYS 18 1.152 -14.657 -2.483 145 HD3 LYS 18 2HD LYS 18 -0.103 -15.905 -2.504 146 HE2 LYS 18 1HE LYS 18 2.675 -16.551 -3.495 147 HE3 LYS 18 2HE LYS 18 2.331 -16.521 -1.760 148 HZ1 LYS 18 3HZ LYS 18 2.025 -18.713 -2.714 149 HZ2 LYS 18 1HZ LYS 18 0.822 -18.190 -3.696 150 HZ3 LYS 18 2HZ LYS 18 0.633 -18.150 -2.061 151 H VAL 19 H VAL 19 -0.823 -12.773 -2.121 152 HA VAL 19 HA VAL 19 -1.837 -14.715 -0.278 153 HB VAL 19 HB VAL 19 -1.315 -13.172 1.469 154 HG11 VAL 19 1HG1 VAL 19 0.523 -14.472 0.372 155 HG12 VAL 19 2HG1 VAL 19 0.897 -13.048 -0.617 156 HG13 VAL 19 3HG1 VAL 19 1.078 -12.983 1.141 157 HG21 VAL 19 3HG2 VAL 19 -1.998 -11.046 0.823 158 HG22 VAL 19 1HG2 VAL 19 -0.235 -10.950 1.003 159 HG23 VAL 19 2HG2 VAL 19 -0.956 -11.054 -0.603 160 H MET 20 H MET 20 -3.292 -11.671 -1.645 161 HA MET 20 HA MET 20 -5.559 -11.933 0.135 162 HB2 MET 20 1HB MET 20 -6.500 -10.075 -0.879 163 HB3 MET 20 2HB MET 20 -4.788 -9.714 -0.758 164 HG2 MET 20 1HG MET 20 -4.568 -9.524 -3.036 165 HG3 MET 20 2HG MET 20 -5.570 -10.911 -3.370 166 HE1 MET 20 3HE MET 20 -6.412 -7.586 -1.365 167 HE2 MET 20 1HE MET 20 -5.468 -7.038 -2.774 168 HE3 MET 20 2HE MET 20 -7.194 -6.617 -2.628 169 H LEU 21 H LEU 21 -4.686 -13.520 -2.754 170 HA LEU 21 HA LEU 21 -7.399 -13.911 -3.767 171 HB2 LEU 21 1HB LEU 21 -4.853 -15.415 -4.478 172 HB3 LEU 21 2HB LEU 21 -6.385 -15.469 -5.345 173 HG LEU 21 HG LEU 21 -4.565 -13.058 -5.080 174 HD11 LEU 21 1HD1 LEU 21 -3.788 -14.843 -6.655 175 HD12 LEU 21 2HD1 LEU 21 -4.193 -13.321 -7.473 176 HD13 LEU 21 3HD1 LEU 21 -5.317 -14.688 -7.532 177 HD21 LEU 21 3HD2 LEU 21 -6.127 -11.992 -6.748 178 HD22 LEU 21 1HD2 LEU 21 -6.797 -12.194 -5.131 179 HD23 LEU 21 2HD2 LEU 21 -7.276 -13.312 -6.422 180 H ASP 22 H ASP 22 -5.820 -15.089 -1.049 181 HA ASP 22 HA ASP 22 -7.426 -17.577 -1.124 182 HB2 ASP 22 1HB ASP 22 -4.988 -17.844 -0.608 183 HB3 ASP 22 2HB ASP 22 -5.277 -16.947 0.888 184 H HIS 23 H HIS 23 -9.377 -16.818 -0.631 185 HA HIS 23 HA HIS 23 -10.244 -14.982 1.178 186 HB2 HIS 23 1HB HIS 23 -11.613 -16.250 -0.415 187 HB3 HIS 23 2HB HIS 23 -11.430 -17.716 0.563 188 HD1 HIS 23 1HD HIS 23 -13.547 -18.103 2.025 189 HD2 HIS 23 2HD HIS 23 -12.545 -14.063 1.396 190 HE1 HIS 23 1HE HIS 23 -15.298 -16.734 3.254 191 H SER 24 H SER 24 -8.622 -17.964 2.082 192 HA SER 24 HA SER 24 -9.668 -17.999 4.804 193 HB2 SER 24 1HB SER 24 -8.858 -19.995 3.425 194 HB3 SER 24 2HB SER 24 -7.212 -19.455 3.803 195 HG SER 24 HG SER 24 -7.571 -19.763 5.907 196 H HIS 25 H HIS 25 -6.910 -16.410 3.170 197 HA HIS 25 HA HIS 25 -5.730 -15.541 5.727 198 HB2 HIS 25 1HB HIS 25 -5.456 -14.367 2.930 199 HB3 HIS 25 2HB HIS 25 -4.539 -13.882 4.354 200 HD1 HIS 25 1HD HIS 25 -3.687 -15.453 1.492 201 HD2 HIS 25 2HD HIS 25 -3.707 -16.783 5.475 202 HE1 HIS 25 1HE HIS 25 -2.112 -17.499 1.594 203 H GLY 26 H GLY 26 -8.220 -14.502 3.391 204 HA2 GLY 26 2HA GLY 26 -10.003 -13.630 5.133 205 HA3 GLY 26 1HA GLY 26 -8.948 -12.221 5.088 206 H LEU 27 H LEU 27 -11.317 -11.667 4.372 207 HA LEU 27 HA LEU 27 -11.962 -12.125 1.587 208 HB2 LEU 27 1HB LEU 27 -13.556 -11.786 3.542 209 HB3 LEU 27 2HB LEU 27 -12.968 -10.131 3.617 210 HG LEU 27 HG LEU 27 -13.836 -9.757 1.269 211 HD11 LEU 27 1HD1 LEU 27 -15.514 -11.459 0.460 212 HD12 LEU 27 2HD1 LEU 27 -15.006 -12.538 1.767 213 HD13 LEU 27 3HD1 LEU 27 -13.872 -12.083 0.479 214 HD21 LEU 27 3HD2 LEU 27 -15.834 -10.712 3.348 215 HD22 LEU 27 1HD2 LEU 27 -16.152 -9.613 1.975 216 HD23 LEU 27 2HD2 LEU 27 -15.095 -9.098 3.280 217 H ALA 28 H ALA 28 -11.655 -10.786 -0.172 218 HA ALA 28 HA ALA 28 -11.070 -7.954 0.271 219 HB1 ALA 28 1HB ALA 28 -9.235 -7.932 -1.375 220 HB2 ALA 28 2HB ALA 28 -8.826 -8.924 0.043 221 HB3 ALA 28 3HB ALA 28 -9.301 -9.704 -1.485 222 H ALA 29 H ALA 29 -12.125 -6.676 -1.313 223 HA ALA 29 HA ALA 29 -12.596 -7.748 -3.989 224 HB1 ALA 29 1HB ALA 29 -14.892 -6.989 -2.150 225 HB2 ALA 29 2HB ALA 29 -15.005 -6.782 -3.910 226 HB3 ALA 29 3HB ALA 29 -14.741 -8.381 -3.259 227 H PHE 30 H PHE 30 -12.920 -6.000 -5.507 228 HA PHE 30 HA PHE 30 -11.547 -3.521 -4.851 229 HB2 PHE 30 1HB PHE 30 -11.258 -4.535 -7.035 230 HB3 PHE 30 2HB PHE 30 -12.993 -4.625 -7.277 231 HD1 PHE 30 1HD PHE 30 -10.160 -2.196 -7.072 232 HD2 PHE 30 2HD PHE 30 -14.247 -2.914 -8.284 233 HE1 PHE 30 1HE PHE 30 -10.148 -0.119 -8.425 234 HE2 PHE 30 2HE PHE 30 -14.205 -0.832 -9.638 235 HZ PHE 30 HZ PHE 30 -12.165 0.543 -9.733 236 H ARG 31 H ARG 31 -12.517 -1.730 -4.069 237 HA ARG 31 HA ARG 31 -15.492 -1.423 -4.312 238 HB2 ARG 31 1HB ARG 31 -14.771 -2.211 -2.064 239 HB3 ARG 31 2HB ARG 31 -13.614 -0.895 -1.951 240 HG2 ARG 31 1HG ARG 31 -15.512 -0.475 -0.527 241 HG3 ARG 31 2HG ARG 31 -15.453 0.732 -1.772 242 HD2 ARG 31 1HD ARG 31 -17.691 0.259 -1.847 243 HD3 ARG 31 2HD ARG 31 -17.110 -0.916 -3.013 244 HE ARG 31 HE ARG 31 -17.240 -1.887 -0.254 245 HH11 ARG 31 1HH1 ARG 31 -19.150 -1.258 -3.148 246 HH12 ARG 31 2HH1 ARG 31 -19.902 -2.811 -3.154 247 HH21 ARG 31 1HH2 ARG 31 -18.502 -3.955 -0.180 248 HH22 ARG 31 2HH2 ARG 31 -19.839 -4.113 -1.231 249 H GLY 32 H GLY 32 -13.863 -0.546 -6.300 250 HA2 GLY 32 2HA GLY 32 -13.976 1.518 -7.508 251 HA3 GLY 32 1HA GLY 32 -14.177 2.379 -5.985 252 H ARG 33 H ARG 33 -12.459 3.602 -7.148 253 HA ARG 33 HA ARG 33 -9.752 2.541 -6.433 254 HB2 ARG 33 1HB ARG 33 -8.756 3.047 -8.563 255 HB3 ARG 33 2HB ARG 33 -10.177 2.057 -8.831 256 HG2 ARG 33 1HG ARG 33 -11.098 4.733 -8.918 257 HG3 ARG 33 2HG ARG 33 -9.573 4.738 -9.806 258 HD2 ARG 33 1HD ARG 33 -11.720 2.666 -10.294 259 HD3 ARG 33 2HD ARG 33 -11.820 4.278 -11.032 260 HE ARG 33 HE ARG 33 -9.392 3.656 -11.808 261 HH11 ARG 33 1HH1 ARG 33 -12.510 1.857 -12.013 262 HH12 ARG 33 2HH1 ARG 33 -12.182 1.281 -13.592 263 HH21 ARG 33 1HH2 ARG 33 -9.106 2.986 -13.915 264 HH22 ARG 33 2HH2 ARG 33 -9.988 1.624 -14.559 265 H GLY 34 H GLY 34 -7.939 4.395 -6.740 266 HA2 GLY 34 2HA GLY 34 -8.849 7.084 -6.259 267 HA3 GLY 34 1HA GLY 34 -8.581 6.201 -4.748 268 H CYS 35 H CYS 35 -7.210 8.299 -4.903 269 HA CYS 35 HA CYS 35 -4.462 7.284 -5.161 270 HB2 CYS 35 1HB CYS 35 -3.776 9.415 -6.226 271 HB3 CYS 35 2HB CYS 35 -4.751 8.413 -7.298 272 HG CYS 35 HG CYS 35 -5.279 11.023 -7.612 273 H THR 36 H THR 36 -2.951 8.430 -3.727 274 HA THR 36 HA THR 36 -4.339 9.650 -1.475 275 HB THR 36 HB THR 36 -2.157 9.777 -0.411 276 HG1 THR 36 1HG THR 36 -1.058 10.291 -2.272 277 HG21 THR 36 3HG2 THR 36 -3.359 7.571 -0.435 278 HG22 THR 36 1HG2 THR 36 -1.597 7.478 -0.209 279 HG23 THR 36 2HG2 THR 36 -2.305 7.103 -1.801 280 H VAL 37 H VAL 37 -5.324 11.504 -2.582 281 HA VAL 37 HA VAL 37 -3.810 13.427 -4.009 282 HB VAL 37 HB VAL 37 -5.623 15.048 -3.258 283 HG11 VAL 37 1HG1 VAL 37 -5.471 14.011 -5.461 284 HG12 VAL 37 2HG1 VAL 37 -6.286 12.552 -4.865 285 HG13 VAL 37 3HG1 VAL 37 -7.143 14.120 -4.954 286 HG21 VAL 37 3HG2 VAL 37 -7.734 14.094 -2.468 287 HG22 VAL 37 1HG2 VAL 37 -6.980 12.505 -2.248 288 HG23 VAL 37 2HG2 VAL 37 -6.472 13.892 -1.269 289 H GLU 38 H GLU 38 -4.195 12.950 -0.598 290 HA GLU 38 HA GLU 38 -2.930 15.386 0.342 291 HB2 GLU 38 1HB GLU 38 -4.618 13.535 1.503 292 HB3 GLU 38 2HB GLU 38 -3.082 12.881 1.977 293 HG2 GLU 38 1HG GLU 38 -2.411 14.999 2.989 294 HG3 GLU 38 2HG GLU 38 -3.853 15.744 2.366 295 H SER 39 H SER 39 -1.429 14.127 -1.365 296 HA SER 39 HA SER 39 0.448 12.722 -2.149 297 HB2 SER 39 1HB SER 39 1.727 15.198 -1.299 298 HB3 SER 39 2HB SER 39 1.554 14.483 -2.875 299 HG SER 39 HG SER 39 -0.669 15.214 -2.868 300 H PHE 40 H PHE 40 2.076 11.289 -1.504 301 HA PHE 40 HA PHE 40 3.097 11.766 1.279 302 HB2 PHE 40 1HB PHE 40 1.808 9.254 0.134 303 HB3 PHE 40 2HB PHE 40 2.999 9.246 1.431 304 HD1 PHE 40 1HD PHE 40 -0.350 10.656 0.637 305 HD2 PHE 40 2HD PHE 40 2.481 9.476 3.614 306 HE1 PHE 40 1HE PHE 40 -2.049 11.134 2.412 307 HE2 PHE 40 2HE PHE 40 0.847 10.168 5.424 308 HZ PHE 40 HZ PHE 40 -1.440 10.895 4.803 309 HA PRO 41 HA PRO 41 7.013 10.676 -0.535 310 HB2 PRO 41 1HB PRO 41 8.420 10.133 1.749 311 HB3 PRO 41 2HB PRO 41 7.911 11.799 1.276 312 HG2 PRO 41 1HG PRO 41 6.550 9.914 3.188 313 HG3 PRO 41 2HG PRO 41 6.935 11.652 3.424 314 HD2 PRO 41 1HD PRO 41 4.499 10.772 2.680 315 HD3 PRO 41 2HD PRO 41 5.191 12.292 2.023 316 H LEU 42 H LEU 42 6.834 8.805 -1.661 317 HA LEU 42 HA LEU 42 6.785 6.216 -0.196 318 HB2 LEU 42 1HB LEU 42 4.963 7.047 -1.922 319 HB3 LEU 42 2HB LEU 42 6.148 6.686 -3.137 320 HG LEU 42 HG LEU 42 4.442 4.909 -1.482 321 HD11 LEU 42 1HD1 LEU 42 4.238 5.399 -3.958 322 HD12 LEU 42 2HD1 LEU 42 4.233 3.682 -3.513 323 HD13 LEU 42 3HD1 LEU 42 5.698 4.431 -4.204 324 HD21 LEU 42 3HD2 LEU 42 7.219 3.920 -2.228 325 HD22 LEU 42 1HD2 LEU 42 5.845 2.900 -1.732 326 HD23 LEU 42 2HD2 LEU 42 6.522 4.056 -0.589 327 H VAL 43 H VAL 43 8.996 5.610 0.064 328 HA VAL 43 HA VAL 43 10.838 6.263 -2.209 329 HB VAL 43 HB VAL 43 12.629 6.231 -0.514 330 HG11 VAL 43 1HG1 VAL 43 11.560 8.350 -1.175 331 HG12 VAL 43 2HG1 VAL 43 10.405 8.187 0.179 332 HG13 VAL 43 3HG1 VAL 43 12.138 8.402 0.490 333 HG21 VAL 43 3HG2 VAL 43 11.644 4.828 1.269 334 HG22 VAL 43 1HG2 VAL 43 12.131 6.407 1.880 335 HG23 VAL 43 2HG2 VAL 43 10.416 6.073 1.592 336 H ILE 44 H ILE 44 12.279 4.638 -2.958 337 HA ILE 44 HA ILE 44 11.694 1.875 -2.037 338 HB ILE 44 HB ILE 44 13.149 2.827 -4.508 339 HG12 ILE 44 1HG1 ILE 44 10.586 1.216 -4.132 340 HG13 ILE 44 2HG1 ILE 44 10.584 2.972 -4.373 341 HG21 ILE 44 1HG2 ILE 44 13.386 0.421 -5.093 342 HG22 ILE 44 2HG2 ILE 44 14.210 0.722 -3.586 343 HG23 ILE 44 3HG2 ILE 44 12.623 -0.056 -3.555 344 HD11 ILE 44 3HD1 ILE 44 11.659 2.585 -6.602 345 HD12 ILE 44 1HD1 ILE 44 11.446 0.846 -6.305 346 HD13 ILE 44 2HD1 ILE 44 10.024 1.888 -6.396 347 H ALA 45 H ALA 45 12.885 1.082 -0.491 348 HA ALA 45 HA ALA 45 15.732 1.727 -0.380 349 HB1 ALA 45 1HB ALA 45 13.883 1.633 2.046 350 HB2 ALA 45 2HB ALA 45 15.637 1.873 2.063 351 HB3 ALA 45 3HB ALA 45 14.587 3.113 1.364 352 H GLY 46 H GLY 46 16.678 0.077 1.230 353 HA2 GLY 46 2HA GLY 46 16.683 -1.788 2.406 354 HA3 GLY 46 1HA GLY 46 15.108 -2.291 1.779 355 H GLU 47 H GLU 47 17.391 -4.063 2.072 356 HA GLU 47 HA GLU 47 18.866 -4.349 -0.319 357 HB2 GLU 47 1HB GLU 47 19.187 -5.286 2.180 358 HB3 GLU 47 2HB GLU 47 18.288 -6.657 1.560 359 HG2 GLU 47 1HG GLU 47 20.424 -7.377 1.143 360 HG3 GLU 47 2HG GLU 47 20.154 -6.566 -0.394 361 H HIS 48 H HIS 48 15.682 -5.327 0.317 362 HA HIS 48 HA HIS 48 15.797 -7.280 -1.919 363 HB2 HIS 48 1HB HIS 48 14.458 -7.210 0.697 364 HB3 HIS 48 2HB HIS 48 13.279 -7.484 -0.565 365 HD1 HIS 48 1HD HIS 48 14.044 -9.650 -2.340 366 HD2 HIS 48 2HD HIS 48 15.665 -9.332 1.543 367 HE1 HIS 48 1HE HIS 48 14.939 -11.884 -1.796 368 H ASN 49 H ASN 49 15.399 -4.122 -1.856 369 HA ASN 49 HA ASN 49 14.181 -2.536 -2.696 370 HB2 ASN 49 1HB ASN 49 13.228 -4.617 -4.702 371 HB3 ASN 49 2HB ASN 49 12.802 -2.908 -4.733 372 HD21 ASN 49 1HD2 ASN 49 14.673 -4.862 -6.504 373 HD22 ASN 49 2HD2 ASN 49 15.928 -3.703 -6.837 374 H ILE 50 H ILE 50 13.131 -2.464 -0.640 375 HA ILE 50 HA ILE 50 10.320 -3.435 -0.622 376 HB ILE 50 HB ILE 50 12.181 -3.229 1.788 377 HG12 ILE 50 1HG1 ILE 50 10.918 -5.766 0.652 378 HG13 ILE 50 2HG1 ILE 50 12.540 -5.276 0.190 379 HG21 ILE 50 1HG2 ILE 50 9.819 -2.655 2.236 380 HG22 ILE 50 2HG2 ILE 50 9.301 -4.190 1.497 381 HG23 ILE 50 3HG2 ILE 50 10.236 -4.178 3.003 382 HD11 ILE 50 3HD1 ILE 50 12.616 -6.897 2.024 383 HD12 ILE 50 1HD1 ILE 50 13.295 -5.333 2.511 384 HD13 ILE 50 2HD1 ILE 50 11.678 -5.826 3.063 385 HA PRO 51 HA PRO 51 10.575 1.148 -0.449 386 HB2 PRO 51 1HB PRO 51 7.958 1.557 -1.496 387 HB3 PRO 51 2HB PRO 51 9.478 1.688 -2.387 388 HG2 PRO 51 1HG PRO 51 7.549 -0.560 -2.170 389 HG3 PRO 51 2HG PRO 51 8.541 -0.102 -3.594 390 HD2 PRO 51 1HD PRO 51 9.100 -2.268 -1.995 391 HD3 PRO 51 2HD PRO 51 10.381 -1.321 -2.800 392 H TRP 52 H TRP 52 9.518 2.617 0.856 393 HA TRP 52 HA TRP 52 7.569 1.513 2.812 394 HB2 TRP 52 1HB TRP 52 9.953 3.291 3.419 395 HB3 TRP 52 2HB TRP 52 8.740 2.742 4.566 396 HD1 TRP 52 HD TRP 52 11.625 1.427 2.429 397 HE1 TRP 52 1HE TRP 52 12.523 -0.730 3.357 398 HE3 TRP 52 3HE TRP 52 8.245 0.731 6.211 399 HZ2 TRP 52 2HZ TRP 52 11.897 -2.572 5.500 400 HZ3 TRP 52 3HZ TRP 52 8.449 -1.204 7.712 401 HH2 TRP 52 HH TRP 52 10.309 -2.860 7.407 402 H LEU 53 H LEU 53 5.797 2.750 2.959 403 HA LEU 53 HA LEU 53 5.796 5.442 1.768 404 HB2 LEU 53 1HB LEU 53 3.987 3.485 1.420 405 HB3 LEU 53 2HB LEU 53 3.397 3.997 2.978 406 HG LEU 53 HG LEU 53 3.097 5.183 0.317 407 HD11 LEU 53 1HD1 LEU 53 1.242 4.416 1.912 408 HD12 LEU 53 2HD1 LEU 53 1.017 5.922 1.007 409 HD13 LEU 53 3HD1 LEU 53 1.487 5.997 2.704 410 HD21 LEU 53 3HD2 LEU 53 2.994 7.361 0.629 411 HD22 LEU 53 1HD2 LEU 53 4.624 6.834 0.865 412 HD23 LEU 53 2HD2 LEU 53 3.648 7.276 2.311 413 H LEU 54 H LEU 54 6.345 6.986 3.018 414 HA LEU 54 HA LEU 54 6.501 6.461 5.959 415 HB2 LEU 54 1HB LEU 54 7.548 8.937 4.655 416 HB3 LEU 54 2HB LEU 54 8.085 8.163 6.128 417 HG LEU 54 HG LEU 54 8.661 7.379 3.237 418 HD11 LEU 54 1HD1 LEU 54 10.518 8.230 5.501 419 HD12 LEU 54 2HD1 LEU 54 9.938 9.266 4.198 420 HD13 LEU 54 3HD1 LEU 54 10.966 7.883 3.819 421 HD21 LEU 54 3HD2 LEU 54 8.431 5.271 4.387 422 HD22 LEU 54 1HD2 LEU 54 9.368 5.845 5.759 423 HD23 LEU 54 2HD2 LEU 54 10.154 5.597 4.187 424 H TYR 55 H TYR 55 5.216 7.707 7.442 425 HA TYR 55 HA TYR 55 2.829 8.744 6.193 426 HB2 TYR 55 1HB TYR 55 2.893 7.532 8.403 427 HB3 TYR 55 2HB TYR 55 3.587 8.962 9.131 428 HD1 TYR 55 2HD TYR 55 0.689 7.939 6.913 429 HD2 TYR 55 1HD TYR 55 2.064 10.517 10.093 430 HE1 TYR 55 2HE TYR 55 -1.538 9.006 7.005 431 HE2 TYR 55 1HE TYR 55 -0.167 11.607 10.156 432 HH TYR 55 HH TYR 55 -2.550 11.267 7.728 433 H LEU 56 H LEU 56 3.245 10.599 4.942 434 HA LEU 56 HA LEU 56 3.662 13.050 6.464 435 HB2 LEU 56 1HB LEU 56 5.880 12.098 5.381 436 HB3 LEU 56 2HB LEU 56 5.373 13.300 4.227 437 HG LEU 56 HG LEU 56 5.718 13.653 7.240 438 HD11 LEU 56 1HD1 LEU 56 7.287 15.269 6.548 439 HD12 LEU 56 2HD1 LEU 56 6.688 15.085 4.855 440 HD13 LEU 56 3HD1 LEU 56 7.567 13.729 5.666 441 HD21 LEU 56 3HD2 LEU 56 3.825 15.117 6.917 442 HD22 LEU 56 1HD2 LEU 56 4.324 15.515 5.265 443 HD23 LEU 56 2HD2 LEU 56 5.172 16.174 6.667 444 HA PRO 57 HA PRO 57 0.423 13.582 3.131 445 HB2 PRO 57 1HB PRO 57 -0.988 15.469 4.583 446 HB3 PRO 57 2HB PRO 57 -1.249 13.703 4.684 447 HG2 PRO 57 1HG PRO 57 0.199 15.523 6.573 448 HG3 PRO 57 2HG PRO 57 -0.785 14.083 6.939 449 HD2 PRO 57 1HD PRO 57 1.983 14.162 6.838 450 HD3 PRO 57 2HD PRO 57 1.077 12.661 6.626 451 H GLY 58 H GLY 58 0.381 14.963 1.704 452 HA2 GLY 58 2HA GLY 58 0.967 16.499 0.195 453 HA3 GLY 58 1HA GLY 58 0.821 17.693 1.426 454 H LYS 59 H LYS 59 3.051 14.907 0.867 455 HA LYS 59 HA LYS 59 5.361 16.692 0.326 456 HB2 LYS 59 1HB LYS 59 5.567 16.157 2.711 457 HB3 LYS 59 2HB LYS 59 5.086 14.499 2.402 458 HG2 LYS 59 1HG LYS 59 7.364 14.390 2.886 459 HG3 LYS 59 2HG LYS 59 7.249 14.094 1.181 460 HD2 LYS 59 1HD LYS 59 8.500 15.889 0.652 461 HD3 LYS 59 2HD LYS 59 7.634 16.972 1.743 462 HE2 LYS 59 1HE LYS 59 9.643 14.907 2.740 463 HE3 LYS 59 2HE LYS 59 10.137 16.513 2.203 464 HZ1 LYS 59 3HZ LYS 59 8.696 17.475 3.862 465 HZ2 LYS 59 1HZ LYS 59 9.835 16.516 4.558 466 HZ3 LYS 59 2HZ LYS 59 8.276 15.991 4.433 467 H GLY 60 H GLY 60 6.612 15.721 -1.417 468 HA2 GLY 60 2HA GLY 60 7.252 14.076 -2.901 469 HA3 GLY 60 1HA GLY 60 6.441 12.834 -1.908 470 H HIS 61 H HIS 61 4.650 11.910 -3.070 471 HA HIS 61 HA HIS 61 3.269 13.701 -4.985 472 HB2 HIS 61 1HB HIS 61 4.432 11.033 -5.830 473 HB3 HIS 61 2HB HIS 61 3.571 12.224 -6.817 474 HD1 HIS 61 1HD HIS 61 4.948 14.687 -7.069 475 HD2 HIS 61 2HD HIS 61 6.996 11.188 -5.961 476 HE1 HIS 61 1HE HIS 61 7.422 15.204 -7.327 477 H CYS 62 H CYS 62 1.506 12.457 -6.117 478 HA CYS 62 HA CYS 62 -0.099 11.323 -3.974 479 HB2 CYS 62 1HB CYS 62 -0.774 12.156 -6.810 480 HB3 CYS 62 2HB CYS 62 -1.948 11.587 -5.595 481 HG CYS 62 HG CYS 62 -2.024 14.245 -5.770 482 H VAL 63 H VAL 63 0.253 9.224 -3.529 483 HA VAL 63 HA VAL 63 1.159 7.394 -5.503 484 HB VAL 63 HB VAL 63 0.073 6.856 -2.707 485 HG11 VAL 63 1HG1 VAL 63 0.336 4.863 -4.138 486 HG12 VAL 63 2HG1 VAL 63 2.012 5.305 -4.482 487 HG13 VAL 63 3HG1 VAL 63 1.534 4.869 -2.822 488 HG21 VAL 63 3HG2 VAL 63 2.919 7.565 -3.573 489 HG22 VAL 63 1HG2 VAL 63 1.885 8.493 -2.475 490 HG23 VAL 63 2HG2 VAL 63 2.466 6.911 -1.980 491 H THR 64 H THR 64 -0.141 6.675 -7.090 492 HA THR 64 HA THR 64 -3.053 6.695 -6.888 493 HB THR 64 HB THR 64 -3.004 5.716 -9.096 494 HG1 THR 64 1HG THR 64 -0.147 5.917 -8.812 495 HG21 THR 64 3HG2 THR 64 -1.022 7.995 -8.964 496 HG22 THR 64 1HG2 THR 64 -2.814 8.129 -8.989 497 HG23 THR 64 2HG2 THR 64 -1.944 7.461 -10.378 498 H GLY 65 H GLY 65 -4.515 4.820 -6.724 499 HA2 GLY 65 2HA GLY 65 -3.399 2.168 -6.271 500 HA3 GLY 65 1HA GLY 65 -3.859 3.094 -4.850 501 H GLU 66 H GLU 66 -5.367 1.209 -4.631 502 HA GLU 66 HA GLU 66 -7.930 1.755 -6.002 503 HB2 GLU 66 1HB GLU 66 -6.458 -0.876 -5.841 504 HB3 GLU 66 2HB GLU 66 -8.220 -0.816 -6.066 505 HG2 GLU 66 1HG GLU 66 -7.968 0.310 -8.185 506 HG3 GLU 66 2HG GLU 66 -6.250 0.596 -7.900 507 H ILE 67 H ILE 67 -9.819 0.747 -4.710 508 HA ILE 67 HA ILE 67 -9.250 0.999 -1.802 509 HB ILE 67 HB ILE 67 -11.854 1.302 -3.318 510 HG12 ILE 67 1HG1 ILE 67 -10.010 3.504 -2.270 511 HG13 ILE 67 2HG1 ILE 67 -10.241 3.099 -3.972 512 HG21 ILE 67 1HG2 ILE 67 -11.098 2.081 -0.462 513 HG22 ILE 67 2HG2 ILE 67 -12.699 2.213 -1.222 514 HG23 ILE 67 3HG2 ILE 67 -12.020 0.630 -0.904 515 HD11 ILE 67 3HD1 ILE 67 -12.240 4.369 -2.123 516 HD12 ILE 67 1HD1 ILE 67 -11.573 4.960 -3.646 517 HD13 ILE 67 2HD1 ILE 67 -12.718 3.609 -3.670 518 H TYR 68 H TYR 68 -9.590 -0.958 -0.660 519 HA TYR 68 HA TYR 68 -11.189 -3.061 -2.015 520 HB2 TYR 68 1HB TYR 68 -8.652 -3.482 -0.403 521 HB3 TYR 68 2HB TYR 68 -9.867 -4.728 -0.623 522 HD1 TYR 68 1HD TYR 68 -7.527 -2.439 -2.469 523 HD2 TYR 68 2HD TYR 68 -10.159 -5.860 -2.681 524 HE1 TYR 68 1HE TYR 68 -7.166 -2.636 -4.900 525 HE2 TYR 68 2HE TYR 68 -9.622 -6.144 -5.090 526 HH TYR 68 HH TYR 68 -7.732 -3.742 -6.960 527 H GLU 69 H GLU 69 -12.868 -3.741 -1.094 528 HA GLU 69 HA GLU 69 -13.681 -3.312 1.705 529 HB2 GLU 69 1HB GLU 69 -15.405 -3.712 -0.102 530 HB3 GLU 69 2HB GLU 69 -14.621 -5.257 -0.462 531 HG2 GLU 69 1HG GLU 69 -15.047 -5.885 2.022 532 HG3 GLU 69 2HG GLU 69 -16.046 -4.430 2.091 533 H VAL 70 H VAL 70 -13.051 -4.705 3.295 534 HA VAL 70 HA VAL 70 -11.840 -7.270 2.610 535 HB VAL 70 HB VAL 70 -10.063 -6.911 4.280 536 HG11 VAL 70 1HG1 VAL 70 -9.858 -4.881 2.025 537 HG12 VAL 70 2HG1 VAL 70 -8.527 -5.696 2.875 538 HG13 VAL 70 3HG1 VAL 70 -9.622 -6.624 1.840 539 HG21 VAL 70 3HG2 VAL 70 -9.392 -4.757 5.066 540 HG22 VAL 70 1HG2 VAL 70 -10.716 -3.950 4.182 541 HG23 VAL 70 2HG2 VAL 70 -11.071 -5.035 5.550 542 H ASP 71 H ASP 71 -11.720 -8.564 4.752 543 HA ASP 71 HA ASP 71 -13.542 -7.382 6.735 544 HB2 ASP 71 1HB ASP 71 -14.273 -9.775 5.423 545 HB3 ASP 71 2HB ASP 71 -13.654 -10.259 7.007 546 H GLU 72 H GLU 72 -13.374 -8.800 8.718 547 HA GLU 72 HA GLU 72 -11.294 -7.785 10.096 548 HB2 GLU 72 1HB GLU 72 -13.382 -9.753 10.577 549 HB3 GLU 72 2HB GLU 72 -11.898 -10.361 11.335 550 HG2 GLU 72 1HG GLU 72 -11.605 -8.288 12.558 551 HG3 GLU 72 2HG GLU 72 -12.954 -7.554 11.676 552 H GLN 73 H GLN 73 -11.217 -11.166 8.818 553 HA GLN 73 HA GLN 73 -8.634 -11.493 9.999 554 HB2 GLN 73 1HB GLN 73 -10.285 -13.309 9.660 555 HB3 GLN 73 2HB GLN 73 -9.898 -13.284 7.934 556 HG2 GLN 73 1HG GLN 73 -8.718 -15.083 9.193 557 HG3 GLN 73 2HG GLN 73 -7.615 -13.986 8.390 558 HE21 GLN 73 1HE2 GLN 73 -9.054 -14.685 11.623 559 HE22 GLN 73 2HE2 GLN 73 -7.636 -14.104 12.496 560 H MET 74 H MET 74 -9.638 -10.222 6.798 561 HA MET 74 HA MET 74 -6.988 -10.585 5.636 562 HB2 MET 74 1HB MET 74 -8.957 -10.174 4.215 563 HB3 MET 74 2HB MET 74 -9.294 -8.699 5.057 564 HG2 MET 74 1HG MET 74 -8.342 -8.230 2.903 565 HG3 MET 74 2HG MET 74 -7.265 -7.654 4.154 566 HE1 MET 74 3HE MET 74 -7.425 -11.465 3.326 567 HE2 MET 74 1HE MET 74 -7.978 -10.761 1.785 568 HE3 MET 74 2HE MET 74 -6.420 -11.621 1.901 569 H LEU 75 H LEU 75 -8.731 -7.917 7.383 570 HA LEU 75 HA LEU 75 -6.470 -6.190 7.364 571 HB2 LEU 75 1HB LEU 75 -9.123 -6.010 8.165 572 HB3 LEU 75 2HB LEU 75 -8.311 -5.948 9.699 573 HG LEU 75 HG LEU 75 -7.976 -4.136 7.258 574 HD11 LEU 75 1HD1 LEU 75 -8.828 -3.495 10.105 575 HD12 LEU 75 2HD1 LEU 75 -9.915 -3.720 8.734 576 HD13 LEU 75 3HD1 LEU 75 -8.768 -2.349 8.754 577 HD21 LEU 75 3HD2 LEU 75 -6.329 -3.890 9.813 578 HD22 LEU 75 1HD2 LEU 75 -6.403 -2.700 8.485 579 HD23 LEU 75 2HD2 LEU 75 -5.712 -4.288 8.195 580 H ARG 76 H ARG 76 -7.279 -8.896 9.490 581 HA ARG 76 HA ARG 76 -5.165 -8.339 11.446 582 HB2 ARG 76 1HB ARG 76 -6.828 -10.786 10.916 583 HB3 ARG 76 2HB ARG 76 -5.566 -10.693 12.142 584 HG2 ARG 76 1HG ARG 76 -6.793 -8.726 13.171 585 HG3 ARG 76 2HG ARG 76 -8.146 -9.066 12.078 586 HD2 ARG 76 1HD ARG 76 -7.834 -11.530 12.924 587 HD3 ARG 76 2HD ARG 76 -6.985 -10.780 14.280 588 HE ARG 76 HE ARG 76 -9.521 -9.488 13.833 589 HH11 ARG 76 1HH1 ARG 76 -7.966 -12.122 15.596 590 HH12 ARG 76 2HH1 ARG 76 -9.380 -12.607 16.450 591 HH21 ARG 76 1HH2 ARG 76 -11.489 -10.182 14.874 592 HH22 ARG 76 2HH2 ARG 76 -11.307 -11.169 16.283 593 H PHE 77 H PHE 77 -5.430 -10.399 8.513 594 HA PHE 77 HA PHE 77 -2.900 -11.690 8.880 595 HB2 PHE 77 1HB PHE 77 -4.560 -12.681 7.398 596 HB3 PHE 77 2HB PHE 77 -4.703 -11.207 6.473 597 HD1 PHE 77 1HD PHE 77 -2.053 -13.760 7.421 598 HD2 PHE 77 2HD PHE 77 -3.495 -10.899 4.531 599 HE1 PHE 77 1HE PHE 77 -0.154 -14.282 5.939 600 HE2 PHE 77 2HE PHE 77 -1.552 -11.362 3.105 601 HZ PHE 77 HZ PHE 77 0.122 -13.101 3.772 602 H LEU 78 H LEU 78 -3.866 -8.815 6.938 603 HA LEU 78 HA LEU 78 -1.249 -8.061 6.104 604 HB2 LEU 78 1HB LEU 78 -3.759 -6.507 6.758 605 HB3 LEU 78 2HB LEU 78 -2.281 -5.690 6.289 606 HG LEU 78 HG LEU 78 -2.362 -6.279 4.117 607 HD11 LEU 78 1HD1 LEU 78 -3.506 -8.142 3.057 608 HD12 LEU 78 2HD1 LEU 78 -4.098 -8.697 4.633 609 HD13 LEU 78 3HD1 LEU 78 -2.359 -8.715 4.259 610 HD21 LEU 78 3HD2 LEU 78 -5.273 -6.380 4.983 611 HD22 LEU 78 1HD2 LEU 78 -4.725 -6.085 3.335 612 HD23 LEU 78 2HD2 LEU 78 -4.318 -4.928 4.609 613 H ASP 79 H ASP 79 -2.861 -7.681 9.238 614 HA ASP 79 HA ASP 79 -1.001 -5.922 10.420 615 HB2 ASP 79 1HB ASP 79 -3.406 -6.860 11.132 616 HB3 ASP 79 2HB ASP 79 -2.422 -7.958 12.098 617 H ASP 80 H ASP 80 -0.483 -9.077 9.409 618 HA ASP 80 HA ASP 80 1.779 -9.640 11.286 619 HB2 ASP 80 1HB ASP 80 -0.039 -11.177 11.681 620 HB3 ASP 80 2HB ASP 80 -0.280 -11.447 9.959 621 H PHE 81 H PHE 81 0.671 -9.439 7.905 622 HA PHE 81 HA PHE 81 2.818 -10.942 6.787 623 HB2 PHE 81 1HB PHE 81 0.664 -10.676 5.673 624 HB3 PHE 81 2HB PHE 81 0.857 -8.927 5.631 625 HD1 PHE 81 1HD PHE 81 3.178 -11.761 4.646 626 HD2 PHE 81 2HD PHE 81 1.029 -8.226 3.411 627 HE1 PHE 81 1HE PHE 81 4.331 -11.822 2.472 628 HE2 PHE 81 2HE PHE 81 2.149 -8.324 1.202 629 HZ PHE 81 HZ PHE 81 3.847 -10.071 0.741 630 H GLU 82 H GLU 82 2.414 -7.561 7.636 631 HA GLU 82 HA GLU 82 5.202 -6.953 6.728 632 HB2 GLU 82 1HB GLU 82 4.412 -4.566 6.646 633 HB3 GLU 82 2HB GLU 82 3.865 -5.617 5.410 634 HG2 GLU 82 1HG GLU 82 1.895 -5.603 7.543 635 HG3 GLU 82 2HG GLU 82 2.353 -3.962 7.176 636 H ASP 83 H ASP 83 4.357 -8.245 9.156 637 HA ASP 83 HA ASP 83 4.806 -8.286 11.349 638 HB2 ASP 83 1HB ASP 83 7.057 -8.155 10.088 639 HB3 ASP 83 2HB ASP 83 7.103 -6.486 10.599 640 H CYS 84 H CYS 84 3.018 -6.010 10.668 641 HA CYS 84 HA CYS 84 4.032 -3.713 11.930 642 HB2 CYS 84 1HB CYS 84 2.047 -2.670 11.281 643 HB3 CYS 84 2HB CYS 84 2.132 -4.005 10.129 644 HG CYS 84 HG CYS 84 0.744 -5.586 11.974 645 HA PRO 85 HA PRO 85 2.867 -1.753 13.262 646 HB2 PRO 85 1HB PRO 85 3.442 -0.553 15.611 647 HB3 PRO 85 2HB PRO 85 1.782 -1.066 15.174 648 HG2 PRO 85 1HG PRO 85 3.812 -2.649 16.782 649 HG3 PRO 85 2HG PRO 85 2.153 -2.203 17.310 650 HD2 PRO 85 1HD PRO 85 2.630 -4.598 16.178 651 HD3 PRO 85 2HD PRO 85 1.188 -3.670 15.690 652 H SER 86 H SER 86 5.084 -4.134 14.294 653 HA SER 86 HA SER 86 7.306 -2.668 15.105 654 HB2 SER 86 1HB SER 86 6.856 -5.256 15.122 655 HB3 SER 86 2HB SER 86 7.597 -5.222 13.511 656 HG SER 86 HG SER 86 9.158 -5.609 14.980 657 H MET 87 H MET 87 6.888 -4.136 11.809 658 HA MET 87 HA MET 87 9.053 -2.438 10.779 659 HB2 MET 87 1HB MET 87 7.236 -4.440 9.444 660 HB3 MET 87 2HB MET 87 8.394 -3.461 8.582 661 HG2 MET 87 1HG MET 87 10.230 -4.487 9.702 662 HG3 MET 87 2HG MET 87 9.175 -5.379 10.782 663 HE1 MET 87 3HE MET 87 9.405 -4.791 6.788 664 HE2 MET 87 1HE MET 87 8.768 -6.346 6.232 665 HE3 MET 87 2HE MET 87 7.710 -5.252 7.117 666 H TYR 88 H TYR 88 5.714 -2.953 9.568 667 HA TYR 88 HA TYR 88 5.457 -0.034 8.976 668 HB2 TYR 88 1HB TYR 88 3.997 -2.544 8.001 669 HB3 TYR 88 2HB TYR 88 3.470 -0.946 7.568 670 HD1 TYR 88 2HD TYR 88 6.151 -3.432 7.144 671 HD2 TYR 88 1HD TYR 88 4.594 0.385 5.880 672 HE1 TYR 88 2HE TYR 88 7.523 -3.570 5.064 673 HE2 TYR 88 1HE TYR 88 5.946 0.249 3.800 674 HH TYR 88 HH TYR 88 7.670 -0.986 2.633 675 H GLN 89 H GLN 89 2.922 0.533 9.231 676 HA GLN 89 HA GLN 89 1.646 -0.632 11.560 677 HB2 GLN 89 1HB GLN 89 1.889 1.584 12.826 678 HB3 GLN 89 2HB GLN 89 3.175 0.395 12.888 679 HG2 GLN 89 1HG GLN 89 4.325 1.707 10.977 680 HG3 GLN 89 2HG GLN 89 3.073 2.895 11.279 681 HE21 GLN 89 1HE2 GLN 89 5.255 0.778 13.303 682 HE22 GLN 89 2HE2 GLN 89 6.051 2.074 14.111 683 H ARG 90 H ARG 90 -0.447 -0.303 11.368 684 HA ARG 90 HA ARG 90 -1.360 0.883 8.891 685 HB2 ARG 90 1HB ARG 90 -2.285 -1.165 9.797 686 HB3 ARG 90 2HB ARG 90 -2.848 -0.353 11.226 687 HG2 ARG 90 1HG ARG 90 -3.792 0.623 8.492 688 HG3 ARG 90 2HG ARG 90 -4.421 -0.898 9.088 689 HD2 ARG 90 1HD ARG 90 -4.726 1.794 10.475 690 HD3 ARG 90 2HD ARG 90 -5.959 0.812 9.655 691 HE ARG 90 HE ARG 90 -4.983 -0.979 11.446 692 HH11 ARG 90 1HH1 ARG 90 -6.290 2.249 11.847 693 HH12 ARG 90 2HH1 ARG 90 -6.809 2.016 13.485 694 HH21 ARG 90 1HH2 ARG 90 -5.701 -1.394 13.482 695 HH22 ARG 90 2HH2 ARG 90 -6.423 -0.218 14.500 696 H THR 91 H THR 91 -2.668 2.694 8.597 697 HA THR 91 HA THR 91 -3.100 4.608 10.801 698 HB THR 91 HB THR 91 -1.785 5.425 8.183 699 HG1 THR 91 1HG THR 91 -0.296 4.672 10.490 700 HG21 THR 91 3HG2 THR 91 -2.569 7.265 9.602 701 HG22 THR 91 1HG2 THR 91 -0.805 7.224 9.594 702 HG23 THR 91 2HG2 THR 91 -1.688 6.594 10.998 703 H ALA 92 H ALA 92 -4.448 6.442 9.862 704 HA ALA 92 HA ALA 92 -6.122 5.759 7.474 705 HB1 ALA 92 1HB ALA 92 -8.029 6.399 8.608 706 HB2 ALA 92 2HB ALA 92 -7.158 5.481 9.836 707 HB3 ALA 92 3HB ALA 92 -7.096 7.253 9.866 708 H LEU 93 H LEU 93 -6.513 7.374 6.042 709 HA LEU 93 HA LEU 93 -5.506 10.110 6.468 710 HB2 LEU 93 1HB LEU 93 -3.906 10.073 4.793 711 HB3 LEU 93 2HB LEU 93 -3.599 8.686 5.773 712 HG LEU 93 HG LEU 93 -3.163 7.809 3.743 713 HD11 LEU 93 1HD1 LEU 93 -6.139 7.195 3.921 714 HD12 LEU 93 2HD1 LEU 93 -4.802 6.261 4.611 715 HD13 LEU 93 3HD1 LEU 93 -5.018 6.437 2.844 716 HD21 LEU 93 3HD2 LEU 93 -5.482 9.089 2.355 717 HD22 LEU 93 1HD2 LEU 93 -4.000 8.409 1.676 718 HD23 LEU 93 2HD2 LEU 93 -3.939 9.921 2.582 719 H GLN 94 H GLN 94 -5.870 11.312 4.246 720 HA GLN 94 HA GLN 94 -8.703 10.839 3.435 721 HB2 GLN 94 1HB GLN 94 -8.061 13.106 4.191 722 HB3 GLN 94 2HB GLN 94 -6.765 13.150 3.016 723 HG2 GLN 94 1HG GLN 94 -8.277 14.445 1.940 724 HG3 GLN 94 2HG GLN 94 -8.723 12.907 1.214 725 HE21 GLN 94 1HE2 GLN 94 -10.726 11.786 2.113 726 HE22 GLN 94 2HE2 GLN 94 -11.964 12.865 2.692 727 H VAL 95 H VAL 95 -8.991 9.576 1.550 728 HA VAL 95 HA VAL 95 -6.863 9.657 -0.566 729 HB VAL 95 HB VAL 95 -8.913 7.477 -0.012 730 HG11 VAL 95 1HG1 VAL 95 -6.380 7.240 -1.706 731 HG12 VAL 95 2HG1 VAL 95 -7.766 6.108 -1.572 732 HG13 VAL 95 3HG1 VAL 95 -7.964 7.631 -2.397 733 HG21 VAL 95 3HG2 VAL 95 -7.312 7.456 1.831 734 HG22 VAL 95 1HG2 VAL 95 -6.982 6.096 0.746 735 HG23 VAL 95 2HG2 VAL 95 -5.956 7.530 0.676 736 H GLN 96 H GLN 96 -7.603 10.082 -2.774 737 HA GLN 96 HA GLN 96 -10.290 11.294 -2.971 738 HB2 GLN 96 1HB GLN 96 -8.455 12.372 -4.109 739 HB3 GLN 96 2HB GLN 96 -8.048 10.900 -4.980 740 HG2 GLN 96 1HG GLN 96 -9.620 11.264 -6.549 741 HG3 GLN 96 2HG GLN 96 -10.878 11.581 -5.395 742 HE21 GLN 96 1HE2 GLN 96 -10.611 12.797 -7.836 743 HE22 GLN 96 2HE2 GLN 96 -10.184 14.493 -7.692 744 H VAL 97 H VAL 97 -11.994 10.317 -4.100 745 HA VAL 97 HA VAL 97 -11.805 7.401 -4.600 746 HB VAL 97 HB VAL 97 -14.199 9.277 -4.384 747 HG11 VAL 97 1HG1 VAL 97 -15.397 7.096 -4.021 748 HG12 VAL 97 2HG1 VAL 97 -14.796 7.323 -5.668 749 HG13 VAL 97 3HG1 VAL 97 -13.934 6.245 -4.542 750 HG21 VAL 97 3HG2 VAL 97 -12.951 8.967 -2.190 751 HG22 VAL 97 1HG2 VAL 97 -14.620 8.442 -2.228 752 HG23 VAL 97 2HG2 VAL 97 -13.303 7.238 -2.315 753 H LEU 98 H LEU 98 -10.804 7.345 -6.585 754 HA LEU 98 HA LEU 98 -11.400 9.175 -8.780 755 HB2 LEU 98 1HB LEU 98 -9.597 6.879 -8.315 756 HB3 LEU 98 2HB LEU 98 -10.434 6.803 -9.872 757 HG LEU 98 HG LEU 98 -9.598 9.155 -10.339 758 HD11 LEU 98 1HD1 LEU 98 -7.668 8.417 -8.084 759 HD12 LEU 98 2HD1 LEU 98 -8.863 9.769 -8.033 760 HD13 LEU 98 3HD1 LEU 98 -7.522 9.795 -9.170 761 HD21 LEU 98 3HD2 LEU 98 -7.638 6.841 -9.992 762 HD22 LEU 98 1HD2 LEU 98 -7.391 8.254 -11.035 763 HD23 LEU 98 2HD2 LEU 98 -8.701 7.116 -11.380 764 H GLU 99 H GLU 99 -12.838 6.191 -7.479 765 HA GLU 99 HA GLU 99 -15.236 6.412 -9.033 766 HB2 GLU 99 1HB GLU 99 -13.633 5.194 -10.572 767 HB3 GLU 99 2HB GLU 99 -13.347 4.016 -9.287 768 HG2 GLU 99 1HG GLU 99 -15.643 3.237 -9.482 769 HG3 GLU 99 2HG GLU 99 -15.966 4.504 -10.669 770 H TRP 100 H TRP 100 -16.802 5.266 -7.818 771 HA TRP 100 HA TRP 100 -15.874 3.580 -5.525 772 HB2 TRP 100 1HB TRP 100 -16.837 5.768 -4.816 773 HB3 TRP 100 2HB TRP 100 -18.324 5.358 -5.625 774 HD1 TRP 100 HD TRP 100 -19.912 3.607 -4.326 775 HE1 TRP 100 1HE TRP 100 -19.833 2.386 -2.167 776 HE3 TRP 100 3HE TRP 100 -15.088 4.663 -3.044 777 HZ2 TRP 100 2HZ TRP 100 -17.917 2.015 0.063 778 HZ3 TRP 100 3HZ TRP 100 -14.166 3.915 -0.872 779 HH2 TRP 100 HH TRP 100 -15.547 2.551 0.673 780 H GLU 101 H GLU 101 -16.866 1.623 -5.440 781 HA GLU 101 HA GLU 101 -19.008 0.999 -7.409 782 HB2 GLU 101 1HB GLU 101 -16.825 -0.746 -6.177 783 HB3 GLU 101 2HB GLU 101 -18.255 -1.423 -6.959 784 HG2 GLU 101 1HG GLU 101 -16.252 0.433 -8.266 785 HG3 GLU 101 2HG GLU 101 -16.326 -1.313 -8.483 786 H GLY 102 H GLY 102 -20.880 0.691 -6.642 787 HA2 GLY 102 2HA GLY 102 -22.609 -0.281 -5.466 788 HA3 GLY 102 1HA GLY 102 -21.408 -1.155 -4.500 789 H ASP 103 H ASP 103 -23.369 -0.564 -3.050 790 HA ASP 103 HA ASP 103 -23.873 2.002 -2.248 791 HB2 ASP 103 1HB ASP 103 -25.037 -0.295 -1.667 792 HB3 ASP 103 2HB ASP 103 -24.126 -0.130 -0.163 793 H GLY 104 H GLY 104 -23.349 3.253 -0.381 794 HA2 GLY 104 2HA GLY 104 -22.082 3.714 1.610 795 HA3 GLY 104 1HA GLY 104 -20.896 2.493 1.151 796 H ASP 105 H ASP 105 -22.238 5.169 -0.736 797 HA ASP 105 HA ASP 105 -19.707 5.729 -1.882 798 HB2 ASP 105 1HB ASP 105 -21.517 5.338 -3.290 799 HB3 ASP 105 2HB ASP 105 -22.535 6.560 -2.498 800 HA PRO 106 HA PRO 106 -19.582 8.940 1.325 801 HB2 PRO 106 1HB PRO 106 -16.932 9.570 1.227 802 HB3 PRO 106 2HB PRO 106 -17.512 7.995 1.865 803 HG2 PRO 106 1HG PRO 106 -16.481 8.624 -0.919 804 HG3 PRO 106 2HG PRO 106 -16.022 7.253 0.128 805 HD2 PRO 106 1HD PRO 106 -17.871 7.013 -1.830 806 HD3 PRO 106 2HD PRO 106 -17.940 6.083 -0.310 807 H GLY 107 H GLY 107 -18.436 9.388 -2.011 808 HA2 GLY 107 2HA GLY 107 -19.114 11.549 -3.151 809 HA3 GLY 107 1HA GLY 107 -18.421 12.335 -1.719 810 H ASP 108 H ASP 108 -17.026 13.229 -3.492 811 HA ASP 108 HA ASP 108 -15.359 11.569 -5.072 812 HB2 ASP 108 1HB ASP 108 -16.168 14.232 -5.060 813 HB3 ASP 108 2HB ASP 108 -14.492 14.400 -4.567 814 H SER 109 H SER 109 -14.877 12.347 -1.766 815 HA SER 109 HA SER 109 -12.330 10.953 -1.973 816 HB2 SER 109 1HB SER 109 -11.355 12.497 -0.159 817 HB3 SER 109 2HB SER 109 -11.224 12.884 -1.866 818 HG SER 109 HG SER 109 -13.094 13.959 -0.036 819 H VAL 110 H VAL 110 -11.649 10.071 0.183 820 HA VAL 110 HA VAL 110 -13.857 9.655 2.078 821 HB VAL 110 HB VAL 110 -13.917 8.016 0.109 822 HG11 VAL 110 1HG1 VAL 110 -11.496 6.735 1.411 823 HG12 VAL 110 2HG1 VAL 110 -12.399 6.127 0.026 824 HG13 VAL 110 3HG1 VAL 110 -11.467 7.629 -0.120 825 HG21 VAL 110 3HG2 VAL 110 -15.058 7.594 2.232 826 HG22 VAL 110 1HG2 VAL 110 -14.495 6.107 1.443 827 HG23 VAL 110 2HG2 VAL 110 -13.636 6.737 2.839 828 H GLN 111 H GLN 111 -12.875 8.096 3.846 829 HA GLN 111 HA GLN 111 -9.969 8.517 4.160 830 HB2 GLN 111 1HB GLN 111 -11.041 9.397 6.100 831 HB3 GLN 111 2HB GLN 111 -12.096 7.989 6.268 832 HG2 GLN 111 1HG GLN 111 -10.426 6.652 7.159 833 HG3 GLN 111 2HG GLN 111 -9.133 7.483 6.305 834 HE21 GLN 111 1HE2 GLN 111 -7.827 8.748 7.513 835 HE22 GLN 111 2HE2 GLN 111 -8.362 9.640 8.949 836 H CYS 112 H CYS 112 -8.755 6.694 4.056 837 HA CYS 112 HA CYS 112 -10.099 4.036 4.201 838 HB2 CYS 112 1HB CYS 112 -7.786 4.779 2.350 839 HB3 CYS 112 2HB CYS 112 -8.342 3.141 2.673 840 HG CYS 112 HG CYS 112 -10.020 5.631 1.267 841 H PHE 113 H PHE 113 -8.543 2.372 5.045 842 HA PHE 113 HA PHE 113 -6.409 3.517 6.711 843 HB2 PHE 113 1HB PHE 113 -7.324 0.668 6.308 844 HB3 PHE 113 2HB PHE 113 -6.038 1.143 7.390 845 HD1 PHE 113 1HD PHE 113 -6.757 3.155 9.076 846 HD2 PHE 113 2HD PHE 113 -9.397 0.255 7.308 847 HE1 PHE 113 1HE PHE 113 -8.450 3.610 10.868 848 HE2 PHE 113 2HE PHE 113 -11.094 0.747 9.052 849 HZ PHE 113 HZ PHE 113 -10.613 2.411 10.844 850 H VAL 114 H VAL 114 -4.243 2.926 6.422 851 HA VAL 114 HA VAL 114 -3.237 1.784 3.908 852 HB VAL 114 HB VAL 114 -2.918 4.677 4.892 853 HG11 VAL 114 1HG1 VAL 114 -1.107 5.138 3.451 854 HG12 VAL 114 2HG1 VAL 114 -0.583 3.746 4.401 855 HG13 VAL 114 3HG1 VAL 114 -1.137 3.531 2.731 856 HG21 VAL 114 3HG2 VAL 114 -4.653 4.270 3.219 857 HG22 VAL 114 1HG2 VAL 114 -3.299 5.138 2.464 858 HG23 VAL 114 2HG2 VAL 114 -3.515 3.392 2.186 859 H TYR 115 H TYR 115 -0.817 1.288 4.308 860 HA TYR 115 HA TYR 115 -0.183 1.072 7.223 861 HB2 TYR 115 1HB TYR 115 0.476 -0.759 4.905 862 HB3 TYR 115 2HB TYR 115 1.429 -0.710 6.384 863 HD1 TYR 115 2HD TYR 115 -1.927 -1.525 5.010 864 HD2 TYR 115 1HD TYR 115 0.757 -1.826 8.374 865 HE1 TYR 115 2HE TYR 115 -3.477 -3.153 6.126 866 HE2 TYR 115 1HE TYR 115 -0.745 -3.478 9.435 867 HH TYR 115 HH TYR 115 -2.738 -4.660 9.271 868 H THR 116 H THR 116 1.124 2.755 7.714 869 HA THR 116 HA THR 116 3.263 3.399 5.769 870 HB THR 116 HB THR 116 3.266 5.722 6.687 871 HG1 THR 116 1HG THR 116 1.866 5.287 8.573 872 HG21 THR 116 3HG2 THR 116 1.708 6.535 5.183 873 HG22 THR 116 1HG2 THR 116 0.563 5.218 5.482 874 HG23 THR 116 2HG2 THR 116 2.047 4.913 4.552 875 H THR 117 H THR 117 4.783 4.946 7.429 876 HA THR 117 HA THR 117 5.280 3.451 9.888 877 HB THR 117 HB THR 117 6.794 2.238 8.671 878 HG1 THR 117 1HG THR 117 8.244 3.098 10.020 879 HG21 THR 117 3HG2 THR 117 6.450 3.180 6.423 880 HG22 THR 117 1HG2 THR 117 8.146 2.997 6.764 881 HG23 THR 117 2HG2 THR 117 7.419 4.609 6.859 882 H ALA 118 H ALA 118 5.742 4.854 11.522 883 HA ALA 118 HA ALA 118 6.402 7.675 10.904 884 HB1 ALA 118 1HB ALA 118 5.875 8.070 13.250 885 HB2 ALA 118 2HB ALA 118 4.515 7.240 12.468 886 HB3 ALA 118 3HB ALA 118 5.642 6.336 13.523 887 H THR 119 H THR 119 7.966 4.723 11.379 888 HA THR 119 HA THR 119 9.962 5.551 13.319 889 HB THR 119 HB THR 119 10.600 3.093 12.930 890 HG1 THR 119 1HG THR 119 9.358 1.876 11.698 891 HG21 THR 119 3HG2 THR 119 7.724 3.669 13.746 892 HG22 THR 119 1HG2 THR 119 9.156 3.727 14.795 893 HG23 THR 119 2HG2 THR 119 8.638 2.187 14.100 894 H TYR 120 H TYR 120 9.677 6.124 10.179 895 HA TYR 120 HA TYR 120 11.685 4.880 8.806 896 HB2 TYR 120 1HB TYR 120 11.350 6.681 7.113 897 HB3 TYR 120 2HB TYR 120 9.864 5.980 7.764 898 HD1 TYR 120 1HD TYR 120 11.940 9.051 7.684 899 HD2 TYR 120 2HD TYR 120 8.339 7.201 9.141 900 HE1 TYR 120 1HE TYR 120 11.213 11.220 8.655 901 HE2 TYR 120 2HE TYR 120 7.668 9.352 10.235 902 HH TYR 120 HH TYR 120 9.246 11.339 11.178 903 H ALA 121 H ALA 121 13.690 5.197 8.099 904 HA ALA 121 HA ALA 121 15.417 6.365 10.018 905 HB1 ALA 121 1HB ALA 121 17.211 5.693 8.426 906 HB2 ALA 121 2HB ALA 121 16.031 4.389 8.649 907 HB3 ALA 121 3HB ALA 121 15.987 5.386 7.180 908 HA PRO 122 HA PRO 122 15.518 10.483 8.585 909 HB2 PRO 122 1HB PRO 122 18.058 11.359 9.273 910 HB3 PRO 122 2HB PRO 122 16.670 11.128 10.365 911 HG2 PRO 122 1HG PRO 122 18.944 9.244 9.911 912 HG3 PRO 122 2HG PRO 122 18.185 9.699 11.455 913 HD2 PRO 122 1HD PRO 122 17.642 7.394 10.076 914 HD3 PRO 122 2HD PRO 122 16.413 8.201 11.075 915 H GLU 123 H GLU 123 17.982 8.330 7.379 916 HA GLU 123 HA GLU 123 18.612 9.925 5.063 917 HB2 GLU 123 1HB GLU 123 19.303 7.590 4.102 918 HB3 GLU 123 2HB GLU 123 20.253 8.305 5.382 919 HG2 GLU 123 1HG GLU 123 18.013 6.496 6.246 920 HG3 GLU 123 2HG GLU 123 19.379 5.742 5.431 921 H TRP 124 H TRP 124 15.868 7.857 5.705 922 HA TRP 124 HA TRP 124 15.241 7.542 2.901 923 HB2 TRP 124 1HB TRP 124 13.676 6.981 5.444 924 HB3 TRP 124 2HB TRP 124 13.086 6.647 3.851 925 HD1 TRP 124 HD TRP 124 16.635 5.783 3.638 926 HE1 TRP 124 1HE TRP 124 16.960 3.229 3.737 927 HE3 TRP 124 3HE TRP 124 12.089 4.383 5.590 928 HZ2 TRP 124 2HZ TRP 124 15.722 1.029 5.040 929 HZ3 TRP 124 3HZ TRP 124 11.754 2.025 6.278 930 HH2 TRP 124 HH TRP 124 13.549 0.358 6.058 931 H LEU 125 H LEU 125 15.356 10.271 4.639 932 HA LEU 125 HA LEU 125 13.000 11.655 3.574 933 HB2 LEU 125 1HB LEU 125 15.527 12.478 5.082 934 HB3 LEU 125 2HB LEU 125 14.456 13.671 4.396 935 HG LEU 125 HG LEU 125 13.953 13.419 6.707 936 HD11 LEU 125 1HD1 LEU 125 11.597 12.291 5.202 937 HD12 LEU 125 2HD1 LEU 125 12.159 13.938 4.934 938 HD13 LEU 125 3HD1 LEU 125 11.596 13.436 6.555 939 HD21 LEU 125 3HD2 LEU 125 12.818 10.656 6.211 940 HD22 LEU 125 1HD2 LEU 125 13.130 11.499 7.757 941 HD23 LEU 125 2HD2 LEU 125 14.463 10.897 6.770 942 H PHE 126 H PHE 126 16.320 10.971 2.401 943 HA PHE 126 HA PHE 126 15.937 13.135 0.395 944 HB2 PHE 126 1HB PHE 126 18.266 13.117 0.022 945 HB3 PHE 126 2HB PHE 126 17.803 13.547 1.663 946 HD1 PHE 126 2HD PHE 126 19.193 10.784 -0.364 947 HD2 PHE 126 1HD PHE 126 18.625 12.526 3.493 948 HE1 PHE 126 2HE PHE 126 20.879 9.180 0.595 949 HE2 PHE 126 1HE PHE 126 20.262 11.021 4.481 950 HZ PHE 126 HZ PHE 126 21.424 9.271 3.025 951 H LEU 127 H LEU 127 15.888 9.739 0.747 952 HA LEU 127 HA LEU 127 16.590 8.898 -1.861 953 HB2 LEU 127 1HB LEU 127 14.444 7.790 0.003 954 HB3 LEU 127 2HB LEU 127 15.092 6.964 -1.408 955 HG LEU 127 HG LEU 127 16.499 7.579 1.201 956 HD11 LEU 127 1HD1 LEU 127 15.987 4.990 -0.326 957 HD12 LEU 127 2HD1 LEU 127 15.090 5.552 1.100 958 HD13 LEU 127 3HD1 LEU 127 16.803 5.126 1.243 959 HD21 LEU 127 3HD2 LEU 127 18.177 8.098 -0.381 960 HD22 LEU 127 1HD2 LEU 127 17.779 6.676 -1.381 961 HD23 LEU 127 2HD2 LEU 127 18.515 6.495 0.245 962 HA PRO 128 HA PRO 128 13.520 10.744 -4.297 963 HB2 PRO 128 1HB PRO 128 13.309 9.104 -6.485 964 HB3 PRO 128 2HB PRO 128 14.777 10.062 -6.108 965 HG2 PRO 128 1HG PRO 128 14.217 7.164 -5.403 966 HG3 PRO 128 2HG PRO 128 15.678 7.825 -6.211 967 HD2 PRO 128 1HD PRO 128 15.641 7.337 -3.563 968 HD3 PRO 128 2HD PRO 128 16.443 8.804 -4.201 969 H TYR 129 H TYR 129 11.378 10.823 -4.752 970 HA TYR 129 HA TYR 129 9.643 8.791 -3.521 971 HB2 TYR 129 1HB TYR 129 9.052 11.534 -4.676 972 HB3 TYR 129 2HB TYR 129 7.914 10.547 -3.763 973 HD1 TYR 129 2HD TYR 129 9.675 9.581 -1.523 974 HD2 TYR 129 1HD TYR 129 9.318 13.471 -3.332 975 HE1 TYR 129 2HE TYR 129 10.400 10.629 0.590 976 HE2 TYR 129 1HE TYR 129 9.892 14.539 -1.195 977 HH TYR 129 HH TYR 129 10.348 12.596 1.806 978 H HIS 130 H HIS 130 7.498 8.382 -4.629 979 HA HIS 130 HA HIS 130 7.609 8.153 -7.579 980 HB2 HIS 130 1HB HIS 130 7.164 5.879 -5.586 981 HB3 HIS 130 2HB HIS 130 6.925 5.770 -7.325 982 HD1 HIS 130 1HD HIS 130 9.124 5.536 -8.863 983 HD2 HIS 130 2HD HIS 130 9.813 5.968 -4.723 984 HE1 HIS 130 1HE HIS 130 11.513 4.798 -8.444 985 H GLU 131 H GLU 131 5.468 7.480 -8.420 986 HA GLU 131 HA GLU 131 3.212 8.631 -6.842 987 HB2 GLU 131 1HB GLU 131 4.090 8.618 -9.698 988 HB3 GLU 131 2HB GLU 131 2.342 8.549 -9.424 989 HG2 GLU 131 1HG GLU 131 2.467 10.560 -8.009 990 HG3 GLU 131 2HG GLU 131 4.241 10.598 -8.251 991 H SER 132 H SER 132 4.532 5.736 -7.662 992 HA SER 132 HA SER 132 2.181 4.170 -7.029 993 HB2 SER 132 1HB SER 132 1.496 4.221 -9.226 994 HB3 SER 132 2HB SER 132 3.077 4.648 -9.843 995 HG SER 132 HG SER 132 2.062 2.085 -9.202 996 H TYR 133 H TYR 133 2.885 1.795 -7.036 997 HA TYR 133 HA TYR 133 5.779 1.328 -6.718 998 HB2 TYR 133 1HB TYR 133 5.133 1.802 -4.498 999 HB3 TYR 133 2HB TYR 133 3.587 0.991 -4.662 1000 HD1 TYR 133 1HD TYR 133 6.787 -0.661 -5.733 1001 HD2 TYR 133 2HD TYR 133 3.901 -0.130 -2.563 1002 HE1 TYR 133 1HE TYR 133 7.509 -2.766 -4.665 1003 HE2 TYR 133 2HE TYR 133 4.757 -2.151 -1.428 1004 HH TYR 133 HH TYR 133 6.839 -3.415 -1.365 1005 H ASP 134 H ASP 134 5.848 0.178 -8.653 1006 HA ASP 134 HA ASP 134 4.180 -2.229 -8.869 1007 HB2 ASP 134 1HB ASP 134 3.688 0.269 -10.335 1008 HB3 ASP 134 2HB ASP 134 4.067 -1.043 -11.440 1009 H SER 135 H SER 135 5.694 -3.794 -9.212 1010 HA SER 135 HA SER 135 8.251 -3.624 -10.320 1011 HB2 SER 135 1HB SER 135 6.222 -5.878 -10.393 1012 HB3 SER 135 2HB SER 135 7.932 -6.030 -10.842 1013 HG SER 135 HG SER 135 8.549 -5.548 -8.792 1014 H GLU 136 H GLU 136 5.165 -3.240 -11.921 1015 HA GLU 136 HA GLU 136 6.200 -3.919 -14.603 1016 HB2 GLU 136 1HB GLU 136 3.373 -3.695 -13.512 1017 HB3 GLU 136 2HB GLU 136 3.786 -3.940 -15.223 1018 HG2 GLU 136 1HG GLU 136 5.086 -5.979 -14.581 1019 HG3 GLU 136 2HG GLU 136 4.573 -5.759 -12.906 1020 H GLY 137 H GLY 137 7.421 -1.880 -14.004 1021 HA2 GLY 137 2HA GLY 137 6.319 0.480 -15.347 1022 HA3 GLY 137 1HA GLY 137 6.815 0.693 -13.667 1023 HA PRO 138 HA PRO 138 10.401 0.765 -16.738 1024 HB2 PRO 138 1HB PRO 138 11.025 3.411 -16.893 1025 HB3 PRO 138 2HB PRO 138 9.605 2.729 -17.735 1026 HG2 PRO 138 1HG PRO 138 9.696 4.103 -15.028 1027 HG3 PRO 138 2HG PRO 138 8.611 4.472 -16.393 1028 HD2 PRO 138 1HD PRO 138 7.827 2.862 -14.353 1029 HD3 PRO 138 2HD PRO 138 7.309 2.561 -16.039 1030 H HIS 139 H HIS 139 10.227 1.102 -13.446 1031 HA HIS 139 HA HIS 139 13.159 1.547 -13.161 1032 HB2 HIS 139 1HB HIS 139 11.231 2.216 -10.941 1033 HB3 HIS 139 2HB HIS 139 12.891 2.725 -11.184 1034 HD1 HIS 139 1HD HIS 139 13.149 4.815 -13.145 1035 HD2 HIS 139 2HD HIS 139 9.284 3.669 -11.870 1036 HE1 HIS 139 1HE HIS 139 11.570 6.716 -13.741 1037 H GLY 140 H GLY 140 13.406 -0.693 -13.480 1038 HA2 GLY 140 2HA GLY 140 11.849 -2.729 -12.360 1039 HA3 GLY 140 1HA GLY 140 13.420 -2.914 -13.140 1040 H LEU 141 H LEU 141 12.378 -1.457 -10.055 1041 HA LEU 141 HA LEU 141 14.037 -3.324 -8.486 1042 HB2 LEU 141 1HB LEU 141 14.950 -1.210 -7.259 1043 HB3 LEU 141 2HB LEU 141 15.685 -1.788 -8.706 1044 HG LEU 141 HG LEU 141 14.661 -0.005 -10.049 1045 HD11 LEU 141 1HD1 LEU 141 13.561 1.928 -8.992 1046 HD12 LEU 141 2HD1 LEU 141 13.563 1.086 -7.432 1047 HD13 LEU 141 3HD1 LEU 141 12.590 0.468 -8.782 1048 HD21 LEU 141 3HD2 LEU 141 16.848 0.303 -8.967 1049 HD22 LEU 141 1HD2 LEU 141 16.063 1.005 -7.544 1050 HD23 LEU 141 2HD2 LEU 141 15.970 1.832 -9.115 1051 H ARG 142 H ARG 142 11.499 -3.789 -8.276 1052 HA ARG 142 HA ARG 142 10.571 -2.060 -5.981 1053 HB2 ARG 142 1HB ARG 142 8.622 -3.437 -7.810 1054 HB3 ARG 142 2HB ARG 142 8.323 -2.118 -6.698 1055 HG2 ARG 142 1HG ARG 142 9.785 -1.919 -9.359 1056 HG3 ARG 142 2HG ARG 142 8.136 -1.449 -8.972 1057 HD2 ARG 142 1HD ARG 142 8.980 0.210 -7.339 1058 HD3 ARG 142 2HD ARG 142 10.618 -0.131 -7.956 1059 HE ARG 142 HE ARG 142 9.887 0.467 -10.171 1060 HH11 ARG 142 1HH1 ARG 142 8.006 2.119 -7.558 1061 HH12 ARG 142 2HH1 ARG 142 6.893 2.795 -8.712 1062 HH21 ARG 142 1HH2 ARG 142 8.300 1.298 -11.516 1063 HH22 ARG 142 2HH2 ARG 142 7.108 2.449 -10.930 1064 H TYR 143 H TYR 143 10.914 -5.086 -7.081 1065 HA TYR 143 HA TYR 143 11.208 -5.977 -4.385 1066 HB2 TYR 143 1HB TYR 143 8.605 -6.227 -4.841 1067 HB3 TYR 143 2HB TYR 143 9.059 -7.572 -5.870 1068 HD1 TYR 143 2HD TYR 143 10.371 -6.369 -2.553 1069 HD2 TYR 143 1HD TYR 143 8.391 -9.558 -4.688 1070 HE1 TYR 143 2HE TYR 143 10.405 -7.732 -0.505 1071 HE2 TYR 143 1HE TYR 143 8.426 -10.955 -2.640 1072 HH TYR 143 HH TYR 143 10.165 -9.885 0.278 1073 H ASN 144 H ASN 144 12.621 -7.649 -4.277 1074 HA ASN 144 HA ASN 144 13.320 -9.105 -6.816 1075 HB2 ASN 144 1HB ASN 144 15.045 -7.883 -4.612 1076 HB3 ASN 144 2HB ASN 144 15.611 -9.203 -5.625 1077 HD21 ASN 144 1HD2 ASN 144 17.247 -8.119 -6.688 1078 HD22 ASN 144 2HD2 ASN 144 16.908 -6.918 -7.902 1079 HA PRO 145 HA PRO 145 12.138 -12.295 -3.707 1080 HB2 PRO 145 1HB PRO 145 10.199 -13.578 -5.135 1081 HB3 PRO 145 2HB PRO 145 9.892 -12.084 -4.228 1082 HG2 PRO 145 1HG PRO 145 10.536 -12.309 -7.201 1083 HG3 PRO 145 2HG PRO 145 9.157 -11.474 -6.414 1084 HD2 PRO 145 1HD PRO 145 11.421 -10.153 -7.119 1085 HD3 PRO 145 2HD PRO 145 10.562 -9.766 -5.611 1086 H ARG 146 H ARG 146 12.450 -12.814 -7.344 1087 HA ARG 146 HA ARG 146 14.116 -15.163 -6.943 1088 HB2 ARG 146 1HB ARG 146 11.896 -15.901 -6.722 1089 HB3 ARG 146 2HB ARG 146 11.368 -15.186 -8.257 1090 HG2 ARG 146 1HG ARG 146 13.066 -16.711 -9.414 1091 HG3 ARG 146 2HG ARG 146 13.405 -17.419 -7.830 1092 HD2 ARG 146 1HD ARG 146 10.679 -17.620 -7.899 1093 HD3 ARG 146 2HD ARG 146 11.039 -17.708 -9.626 1094 HE ARG 146 HE ARG 146 12.847 -19.434 -8.594 1095 HH11 ARG 146 1HH1 ARG 146 9.318 -19.434 -8.632 1096 HH12 ARG 146 2HH1 ARG 146 9.172 -20.994 -7.882 1097 HH21 ARG 146 1HH2 ARG 146 12.720 -21.426 -7.690 1098 HH22 ARG 146 2HH2 ARG 146 11.216 -22.206 -7.294 1099 H GLU 147 H GLU 147 15.279 -13.329 -7.676 1100 HA GLU 147 HA GLU 147 15.343 -12.730 -10.505 1101 HB2 GLU 147 1HB GLU 147 17.765 -12.635 -8.676 1102 HB3 GLU 147 2HB GLU 147 17.420 -11.704 -10.111 1103 HG2 GLU 147 1HG GLU 147 17.099 -10.124 -8.465 1104 HG3 GLU 147 2HG GLU 147 15.435 -10.699 -8.704 1105 H ASN 148 H ASN 148 16.839 -15.081 -8.422 1106 HA ASN 148 HA ASN 148 17.753 -16.772 -10.663 1107 HB2 ASN 148 1HB ASN 148 19.638 -15.693 -8.506 1108 HB3 ASN 148 2HB ASN 148 19.989 -16.886 -9.756 1109 HD21 ASN 148 1HD2 ASN 148 19.971 -13.455 -9.075 1110 HD22 ASN 148 2HD2 ASN 148 20.307 -12.965 -10.704 1111 H ARG 149 H ARG 149 15.651 -17.154 -8.703 1112 HA ARG 149 HA ARG 149 16.774 -19.729 -7.808 1113 HB2 ARG 149 1HB ARG 149 14.396 -18.611 -6.299 1114 HB3 ARG 149 2HB ARG 149 15.220 -20.135 -6.097 1115 HG2 ARG 149 1HG ARG 149 16.107 -19.023 -4.332 1116 HG3 ARG 149 2HG ARG 149 17.345 -18.672 -5.527 1117 HD2 ARG 149 1HD ARG 149 15.164 -16.704 -5.610 1118 HD3 ARG 149 2HD ARG 149 15.789 -16.865 -3.962 1119 HE ARG 149 HE ARG 149 18.062 -16.629 -5.512 1120 HH11 ARG 149 1HH1 ARG 149 15.172 -14.573 -4.919 1121 HH12 ARG 149 2HH1 ARG 149 15.962 -13.129 -5.403 1122 HH21 ARG 149 1HH2 ARG 149 19.118 -14.687 -5.911 1123 HH22 ARG 149 2HH2 ARG 149 18.233 -13.142 -5.902 Start of MODEL 5 1 H1 MET 1 H MET 1 -17.052 -3.247 9.399 2 HA MET 1 HA MET 1 -16.098 -4.608 6.951 3 HB2 MET 1 1HB MET 1 -18.089 -2.297 7.215 4 HB3 MET 1 2HB MET 1 -17.524 -3.026 5.708 5 HG2 MET 1 1HG MET 1 -19.666 -3.926 6.146 6 HG3 MET 1 2HG MET 1 -18.505 -5.212 6.471 7 HE1 MET 1 3HE MET 1 -21.442 -5.646 7.459 8 HE2 MET 1 1HE MET 1 -20.015 -6.688 7.702 9 HE3 MET 1 2HE MET 1 -21.051 -6.268 9.078 10 H ALA 2 H ALA 2 -13.934 -3.990 6.694 11 HA ALA 2 HA ALA 2 -13.175 -1.274 7.629 12 HB1 ALA 2 1HB ALA 2 -10.885 -2.237 7.596 13 HB2 ALA 2 2HB ALA 2 -11.977 -3.115 8.686 14 HB3 ALA 2 3HB ALA 2 -11.561 -3.801 7.101 15 H HIS 3 H HIS 3 -13.110 0.232 6.015 16 HA HIS 3 HA HIS 3 -12.552 -0.618 3.243 17 HB2 HIS 3 1HB HIS 3 -13.407 1.981 4.546 18 HB3 HIS 3 2HB HIS 3 -12.783 1.932 2.906 19 HD1 HIS 3 1HD HIS 3 -16.060 1.967 4.391 20 HD2 HIS 3 2HD HIS 3 -14.129 -0.355 1.423 21 HE1 HIS 3 1HE HIS 3 -17.885 0.832 3.060 22 H ILE 4 H ILE 4 -10.570 -0.714 2.465 23 HA ILE 4 HA ILE 4 -8.425 0.961 3.631 24 HB ILE 4 HB ILE 4 -6.856 -0.796 3.620 25 HG12 ILE 4 1HG1 ILE 4 -8.896 -2.900 2.837 26 HG13 ILE 4 2HG1 ILE 4 -7.944 -2.085 1.612 27 HG21 ILE 4 1HG2 ILE 4 -9.303 -1.970 4.992 28 HG22 ILE 4 2HG2 ILE 4 -7.591 -2.102 5.459 29 HG23 ILE 4 3HG2 ILE 4 -8.429 -0.553 5.578 30 HD11 ILE 4 3HD1 ILE 4 -6.788 -3.690 3.915 31 HD12 ILE 4 1HD1 ILE 4 -6.832 -4.137 2.199 32 HD13 ILE 4 2HD1 ILE 4 -5.847 -2.764 2.719 33 H PHE 5 H PHE 5 -6.420 0.764 2.207 34 HA PHE 5 HA PHE 5 -7.118 1.019 -0.692 35 HB2 PHE 5 1HB PHE 5 -6.156 2.970 0.839 36 HB3 PHE 5 2HB PHE 5 -4.670 2.043 0.758 37 HD1 PHE 5 1HD PHE 5 -7.221 2.881 -1.885 38 HD2 PHE 5 2HD PHE 5 -3.170 3.383 -0.501 39 HE1 PHE 5 1HE PHE 5 -6.662 4.104 -3.944 40 HE2 PHE 5 2HE PHE 5 -2.617 4.599 -2.574 41 HZ PHE 5 HZ PHE 5 -4.354 4.993 -4.266 42 H VAL 6 H VAL 6 -4.659 0.775 -1.778 43 HA VAL 6 HA VAL 6 -3.324 -1.545 -0.647 44 HB VAL 6 HB VAL 6 -4.959 -2.534 -2.220 45 HG11 VAL 6 1HG1 VAL 6 -3.511 -0.919 -4.367 46 HG12 VAL 6 2HG1 VAL 6 -4.552 -2.318 -4.688 47 HG13 VAL 6 3HG1 VAL 6 -5.229 -0.900 -3.903 48 HG21 VAL 6 3HG2 VAL 6 -3.487 -3.938 -3.379 49 HG22 VAL 6 1HG2 VAL 6 -2.115 -2.824 -3.180 50 HG23 VAL 6 2HG2 VAL 6 -2.859 -3.605 -1.749 51 H TYR 7 H TYR 7 -1.147 -1.560 -1.095 52 HA TYR 7 HA TYR 7 0.187 0.851 -1.436 53 HB2 TYR 7 1HB TYR 7 0.892 -2.033 -1.222 54 HB3 TYR 7 2HB TYR 7 2.058 -1.106 -2.115 55 HD1 TYR 7 2HD TYR 7 0.011 -0.598 0.987 56 HD2 TYR 7 1HD TYR 7 3.932 -0.463 -0.789 57 HE1 TYR 7 2HE TYR 7 0.896 0.385 3.057 58 HE2 TYR 7 1HE TYR 7 4.845 0.450 1.313 59 HH TYR 7 HH TYR 7 2.677 1.463 3.971 60 H GLY 8 H GLY 8 -0.742 -1.429 -3.913 61 HA2 GLY 8 2HA GLY 8 -0.554 -0.199 -6.258 62 HA3 GLY 8 1HA GLY 8 1.165 -0.345 -5.889 63 H THR 9 H THR 9 0.823 -2.807 -4.375 64 HA THR 9 HA THR 9 1.586 -4.755 -6.162 65 HB THR 9 HB THR 9 1.161 -6.114 -3.967 66 HG1 THR 9 1HG THR 9 0.800 -4.878 -2.204 67 HG21 THR 9 3HG2 THR 9 3.143 -4.847 -2.887 68 HG22 THR 9 1HG2 THR 9 3.047 -3.755 -4.284 69 HG23 THR 9 2HG2 THR 9 3.410 -5.467 -4.515 70 H LEU 10 H LEU 10 -1.351 -5.022 -4.082 71 HA LEU 10 HA LEU 10 -2.316 -7.164 -5.786 72 HB2 LEU 10 1HB LEU 10 -3.910 -6.024 -3.462 73 HB3 LEU 10 2HB LEU 10 -4.026 -7.567 -4.230 74 HG LEU 10 HG LEU 10 -1.446 -7.758 -3.354 75 HD11 LEU 10 1HD1 LEU 10 -1.305 -6.804 -1.075 76 HD12 LEU 10 2HD1 LEU 10 -2.877 -6.017 -1.282 77 HD13 LEU 10 3HD1 LEU 10 -1.484 -5.516 -2.258 78 HD21 LEU 10 3HD2 LEU 10 -3.904 -8.280 -1.636 79 HD22 LEU 10 1HD2 LEU 10 -2.282 -8.905 -1.319 80 HD23 LEU 10 2HD2 LEU 10 -3.142 -9.423 -2.765 81 H LYS 11 H LYS 11 -2.205 -5.312 -7.534 82 HA LYS 11 HA LYS 11 -4.932 -4.348 -8.166 83 HB2 LYS 11 1HB LYS 11 -3.879 -2.481 -7.012 84 HB3 LYS 11 2HB LYS 11 -2.461 -2.571 -8.036 85 HG2 LYS 11 1HG LYS 11 -5.197 -2.026 -9.221 86 HG3 LYS 11 2HG LYS 11 -4.238 -0.764 -8.450 87 HD2 LYS 11 1HD LYS 11 -2.353 -1.671 -10.159 88 HD3 LYS 11 2HD LYS 11 -3.778 -2.136 -11.082 89 HE2 LYS 11 1HE LYS 11 -4.388 0.045 -11.509 90 HE3 LYS 11 2HE LYS 11 -3.876 0.602 -9.919 91 HZ1 LYS 11 3HZ LYS 11 -1.577 0.516 -10.691 92 HZ2 LYS 11 1HZ LYS 11 -2.481 1.556 -11.583 93 HZ3 LYS 11 2HZ LYS 11 -2.054 0.085 -12.188 94 H ARG 12 H ARG 12 -1.516 -4.068 -9.484 95 HA ARG 12 HA ARG 12 -2.588 -4.690 -12.100 96 HB2 ARG 12 1HB ARG 12 -0.867 -2.980 -11.854 97 HB3 ARG 12 2HB ARG 12 0.248 -4.136 -11.124 98 HG2 ARG 12 1HG ARG 12 0.804 -3.714 -13.451 99 HG3 ARG 12 2HG ARG 12 0.368 -5.401 -13.179 100 HD2 ARG 12 1HD ARG 12 -1.781 -5.116 -14.275 101 HD3 ARG 12 2HD ARG 12 -1.588 -3.348 -14.308 102 HE ARG 12 HE ARG 12 0.608 -4.203 -15.641 103 HH11 ARG 12 1HH1 ARG 12 -2.899 -4.843 -16.306 104 HH12 ARG 12 2HH1 ARG 12 -2.628 -4.810 -18.003 105 HH21 ARG 12 1HH2 ARG 12 0.857 -4.401 -17.895 106 HH22 ARG 12 2HH2 ARG 12 -0.546 -4.632 -18.885 107 H GLY 13 H GLY 13 0.230 -6.272 -10.468 108 HA2 GLY 13 2HA GLY 13 -1.022 -8.917 -10.710 109 HA3 GLY 13 1HA GLY 13 0.144 -8.545 -11.970 110 H GLN 14 H GLN 14 0.954 -7.123 -8.964 111 HA GLN 14 HA GLN 14 3.551 -8.077 -8.873 112 HB2 GLN 14 1HB GLN 14 1.662 -6.695 -7.048 113 HB3 GLN 14 2HB GLN 14 2.994 -7.446 -6.246 114 HG2 GLN 14 1HG GLN 14 3.825 -5.369 -6.658 115 HG3 GLN 14 2HG GLN 14 4.535 -6.262 -7.979 116 HE21 GLN 14 1HE2 GLN 14 3.245 -6.015 -10.254 117 HE22 GLN 14 2HE2 GLN 14 2.733 -4.380 -10.462 118 HA PRO 15 HA PRO 15 4.159 -11.988 -7.226 119 HB2 PRO 15 1HB PRO 15 5.827 -11.644 -4.993 120 HB3 PRO 15 2HB PRO 15 6.340 -11.644 -6.706 121 HG2 PRO 15 1HG PRO 15 5.678 -9.305 -4.915 122 HG3 PRO 15 2HG PRO 15 7.069 -9.454 -6.021 123 HD2 PRO 15 1HD PRO 15 4.931 -8.044 -6.740 124 HD3 PRO 15 2HD PRO 15 5.678 -9.147 -7.942 125 H ASN 16 H ASN 16 2.591 -9.736 -5.190 126 HA ASN 16 HA ASN 16 2.273 -11.561 -2.913 127 HB2 ASN 16 1HB ASN 16 1.385 -8.665 -3.196 128 HB3 ASN 16 2HB ASN 16 1.714 -9.568 -1.707 129 HD21 ASN 16 1HD2 ASN 16 2.981 -7.255 -3.659 130 HD22 ASN 16 2HD2 ASN 16 4.678 -7.666 -3.769 131 H HIS 17 H HIS 17 0.470 -10.502 -5.712 132 HA HIS 17 HA HIS 17 -1.948 -9.749 -4.678 133 HB2 HIS 17 1HB HIS 17 -1.107 -9.673 -7.083 134 HB3 HIS 17 2HB HIS 17 -1.649 -11.337 -7.258 135 HD1 HIS 17 1HD HIS 17 -2.837 -8.197 -8.353 136 HD2 HIS 17 2HD HIS 17 -4.571 -11.421 -6.264 137 HE1 HIS 17 1HE HIS 17 -5.336 -7.913 -8.528 138 H LYS 18 H LYS 18 -0.984 -13.147 -5.288 139 HA LYS 18 HA LYS 18 -3.523 -14.261 -5.033 140 HB2 LYS 18 1HB LYS 18 -2.484 -16.386 -4.685 141 HB3 LYS 18 2HB LYS 18 -1.646 -15.472 -5.919 142 HG2 LYS 18 1HG LYS 18 -0.008 -16.571 -4.744 143 HG3 LYS 18 2HG LYS 18 0.142 -14.904 -4.208 144 HD2 LYS 18 1HD LYS 18 -0.728 -15.422 -2.054 145 HD3 LYS 18 2HD LYS 18 -1.443 -16.944 -2.580 146 HE2 LYS 18 1HE LYS 18 1.534 -16.454 -2.724 147 HE3 LYS 18 2HE LYS 18 0.779 -16.915 -1.182 148 HZ1 LYS 18 3HZ LYS 18 0.055 -18.942 -2.131 149 HZ2 LYS 18 1HZ LYS 18 1.655 -18.796 -2.466 150 HZ3 LYS 18 2HZ LYS 18 0.561 -18.532 -3.650 151 H VAL 19 H VAL 19 -1.707 -12.894 -2.338 152 HA VAL 19 HA VAL 19 -2.811 -14.568 -0.331 153 HB VAL 19 HB VAL 19 -2.288 -12.760 1.225 154 HG11 VAL 19 1HG1 VAL 19 0.127 -12.730 0.895 155 HG12 VAL 19 2HG1 VAL 19 -0.494 -14.311 0.417 156 HG13 VAL 19 3HG1 VAL 19 -0.052 -13.122 -0.823 157 HG21 VAL 19 3HG2 VAL 19 -1.873 -11.042 -1.175 158 HG22 VAL 19 1HG2 VAL 19 -2.860 -10.770 0.253 159 HG23 VAL 19 2HG2 VAL 19 -1.099 -10.704 0.392 160 H MET 20 H MET 20 -4.190 -11.667 -1.958 161 HA MET 20 HA MET 20 -6.455 -11.641 -0.131 162 HB2 MET 20 1HB MET 20 -7.414 -9.958 -1.462 163 HB3 MET 20 2HB MET 20 -5.710 -9.579 -1.236 164 HG2 MET 20 1HG MET 20 -5.188 -9.949 -3.481 165 HG3 MET 20 2HG MET 20 -6.600 -10.948 -3.778 166 HE1 MET 20 3HE MET 20 -7.336 -6.433 -2.986 167 HE2 MET 20 1HE MET 20 -7.446 -7.683 -1.763 168 HE3 MET 20 2HE MET 20 -5.858 -7.239 -2.435 169 H LEU 21 H LEU 21 -5.638 -13.738 -2.697 170 HA LEU 21 HA LEU 21 -8.405 -14.100 -3.654 171 HB2 LEU 21 1HB LEU 21 -5.883 -15.678 -4.283 172 HB3 LEU 21 2HB LEU 21 -7.424 -15.791 -5.105 173 HG LEU 21 HG LEU 21 -5.573 -13.382 -5.136 174 HD11 LEU 21 1HD1 LEU 21 -6.344 -15.294 -7.375 175 HD12 LEU 21 2HD1 LEU 21 -4.852 -15.431 -6.433 176 HD13 LEU 21 3HD1 LEU 21 -5.137 -13.991 -7.418 177 HD21 LEU 21 3HD2 LEU 21 -7.845 -12.556 -5.333 178 HD22 LEU 21 1HD2 LEU 21 -8.250 -13.800 -6.530 179 HD23 LEU 21 2HD2 LEU 21 -7.092 -12.507 -6.925 180 H ASP 22 H ASP 22 -6.699 -15.011 -0.875 181 HA ASP 22 HA ASP 22 -7.957 -17.709 -0.726 182 HB2 ASP 22 1HB ASP 22 -5.776 -16.503 0.990 183 HB3 ASP 22 2HB ASP 22 -6.435 -18.123 1.135 184 H HIS 23 H HIS 23 -10.030 -17.202 -0.083 185 HA HIS 23 HA HIS 23 -10.715 -15.121 1.706 186 HB2 HIS 23 1HB HIS 23 -12.302 -16.173 0.195 187 HB3 HIS 23 2HB HIS 23 -12.159 -17.703 1.065 188 HD1 HIS 23 1HD HIS 23 -14.139 -18.054 2.665 189 HD2 HIS 23 2HD HIS 23 -12.999 -14.021 2.209 190 HE1 HIS 23 1HE HIS 23 -15.674 -16.686 4.188 191 H SER 24 H SER 24 -9.282 -18.164 2.409 192 HA SER 24 HA SER 24 -9.913 -18.500 5.178 193 HB2 SER 24 1HB SER 24 -8.634 -20.127 3.694 194 HB3 SER 24 2HB SER 24 -7.233 -19.069 3.836 195 HG SER 24 HG SER 24 -8.605 -20.457 5.923 196 H HIS 25 H HIS 25 -7.319 -16.577 3.518 197 HA HIS 25 HA HIS 25 -6.222 -15.591 6.006 198 HB2 HIS 25 1HB HIS 25 -5.784 -14.655 3.139 199 HB3 HIS 25 2HB HIS 25 -4.782 -14.266 4.534 200 HD1 HIS 25 1HD HIS 25 -4.007 -16.050 1.760 201 HD2 HIS 25 2HD HIS 25 -4.759 -17.411 5.662 202 HE1 HIS 25 1HE HIS 25 -2.913 -18.346 1.958 203 H GLY 26 H GLY 26 -8.800 -14.576 3.812 204 HA2 GLY 26 2HA GLY 26 -10.336 -13.408 5.553 205 HA3 GLY 26 1HA GLY 26 -9.179 -12.078 5.340 206 H LEU 27 H LEU 27 -11.546 -11.332 4.765 207 HA LEU 27 HA LEU 27 -12.338 -11.869 2.011 208 HB2 LEU 27 1HB LEU 27 -13.953 -11.542 3.927 209 HB3 LEU 27 2HB LEU 27 -13.326 -9.904 4.092 210 HG LEU 27 HG LEU 27 -14.144 -9.370 1.771 211 HD11 LEU 27 1HD1 LEU 27 -14.116 -11.673 0.877 212 HD12 LEU 27 2HD1 LEU 27 -15.740 -11.007 0.759 213 HD13 LEU 27 3HD1 LEU 27 -15.330 -12.158 2.078 214 HD21 LEU 27 3HD2 LEU 27 -16.499 -9.238 2.365 215 HD22 LEU 27 1HD2 LEU 27 -15.523 -8.900 3.799 216 HD23 LEU 27 2HD2 LEU 27 -16.274 -10.495 3.629 217 H ALA 28 H ALA 28 -12.060 -10.449 0.281 218 HA ALA 28 HA ALA 28 -11.540 -7.652 0.813 219 HB1 ALA 28 1HB ALA 28 -9.806 -7.494 -0.943 220 HB2 ALA 28 2HB ALA 28 -9.258 -8.563 0.370 221 HB3 ALA 28 3HB ALA 28 -9.843 -9.258 -1.156 222 H ALA 29 H ALA 29 -12.737 -6.418 -0.675 223 HA ALA 29 HA ALA 29 -13.852 -7.713 -3.090 224 HB1 ALA 29 1HB ALA 29 -16.081 -6.985 -2.466 225 HB2 ALA 29 2HB ALA 29 -15.437 -7.978 -1.158 226 HB3 ALA 29 3HB ALA 29 -15.471 -6.208 -0.989 227 H PHE 30 H PHE 30 -14.039 -6.286 -4.750 228 HA PHE 30 HA PHE 30 -12.248 -3.976 -4.685 229 HB2 PHE 30 1HB PHE 30 -12.052 -5.552 -6.493 230 HB3 PHE 30 2HB PHE 30 -13.780 -5.491 -6.819 231 HD1 PHE 30 1HD PHE 30 -11.004 -2.893 -6.599 232 HD2 PHE 30 2HD PHE 30 -14.337 -4.502 -8.820 233 HE1 PHE 30 1HE PHE 30 -10.605 -1.272 -8.414 234 HE2 PHE 30 2HE PHE 30 -13.899 -2.871 -10.644 235 HZ PHE 30 HZ PHE 30 -12.031 -1.259 -10.440 236 H ARG 31 H ARG 31 -13.227 -2.304 -3.603 237 HA ARG 31 HA ARG 31 -15.841 -1.294 -4.649 238 HB2 ARG 31 1HB ARG 31 -14.287 -0.521 -2.145 239 HB3 ARG 31 2HB ARG 31 -15.753 0.277 -2.732 240 HG2 ARG 31 1HG ARG 31 -15.599 -2.627 -1.880 241 HG3 ARG 31 2HG ARG 31 -16.241 -1.270 -0.931 242 HD2 ARG 31 1HD ARG 31 -17.978 -0.855 -2.628 243 HD3 ARG 31 2HD ARG 31 -17.357 -2.201 -3.602 244 HE ARG 31 HE ARG 31 -17.854 -3.193 -1.008 245 HH11 ARG 31 1HH1 ARG 31 -19.661 -2.031 -3.837 246 HH12 ARG 31 2HH1 ARG 31 -21.085 -2.965 -3.489 247 HH21 ARG 31 1HH2 ARG 31 -19.521 -4.434 -0.588 248 HH22 ARG 31 2HH2 ARG 31 -21.026 -4.425 -1.494 249 H GLY 32 H GLY 32 -14.228 -1.160 -6.589 250 HA2 GLY 32 2HA GLY 32 -13.587 0.409 -8.128 251 HA3 GLY 32 1HA GLY 32 -14.133 1.658 -7.005 252 H ARG 33 H ARG 33 -12.384 2.989 -7.332 253 HA ARG 33 HA ARG 33 -9.678 1.966 -6.611 254 HB2 ARG 33 1HB ARG 33 -8.666 2.414 -8.678 255 HB3 ARG 33 2HB ARG 33 -10.025 1.308 -8.912 256 HG2 ARG 33 1HG ARG 33 -11.368 3.415 -9.617 257 HG3 ARG 33 2HG ARG 33 -9.787 4.220 -9.694 258 HD2 ARG 33 1HD ARG 33 -9.079 2.138 -11.075 259 HD3 ARG 33 2HD ARG 33 -10.789 1.822 -11.279 260 HE ARG 33 HE ARG 33 -9.248 4.145 -12.378 261 HH11 ARG 33 1HH1 ARG 33 -12.406 2.426 -12.215 262 HH12 ARG 33 2HH1 ARG 33 -13.170 3.680 -13.134 263 HH21 ARG 33 1HH2 ARG 33 -10.286 5.553 -13.781 264 HH22 ARG 33 2HH2 ARG 33 -11.995 5.357 -14.116 265 H GLY 34 H GLY 34 -7.905 3.788 -6.885 266 HA2 GLY 34 2HA GLY 34 -8.845 6.483 -6.445 267 HA3 GLY 34 1HA GLY 34 -8.644 5.580 -4.944 268 H CYS 35 H CYS 35 -7.285 7.721 -5.089 269 HA CYS 35 HA CYS 35 -4.493 6.797 -5.223 270 HB2 CYS 35 1HB CYS 35 -3.819 8.890 -6.259 271 HB3 CYS 35 2HB CYS 35 -4.818 7.929 -7.370 272 HG CYS 35 HG CYS 35 -5.267 10.495 -7.656 273 H THR 36 H THR 36 -3.053 8.205 -3.837 274 HA THR 36 HA THR 36 -4.569 9.442 -1.632 275 HB THR 36 HB THR 36 -2.450 9.783 -0.596 276 HG1 THR 36 1HG THR 36 -1.152 10.261 -2.160 277 HG21 THR 36 3HG2 THR 36 -1.650 7.445 -0.426 278 HG22 THR 36 1HG2 THR 36 -2.650 6.985 -1.797 279 HG23 THR 36 2HG2 THR 36 -3.412 7.564 -0.294 280 H VAL 37 H VAL 37 -5.652 11.217 -2.621 281 HA VAL 37 HA VAL 37 -4.297 13.153 -4.225 282 HB VAL 37 HB VAL 37 -6.113 14.715 -3.189 283 HG11 VAL 37 1HG1 VAL 37 -7.739 13.756 -4.829 284 HG12 VAL 37 2HG1 VAL 37 -6.105 13.969 -5.458 285 HG13 VAL 37 3HG1 VAL 37 -6.647 12.352 -5.007 286 HG21 VAL 37 3HG2 VAL 37 -7.241 12.035 -2.270 287 HG22 VAL 37 1HG2 VAL 37 -6.684 13.371 -1.232 288 HG23 VAL 37 2HG2 VAL 37 -8.088 13.582 -2.291 289 H GLU 38 H GLU 38 -4.285 12.529 -0.845 290 HA GLU 38 HA GLU 38 -2.650 14.873 -0.217 291 HB2 GLU 38 1HB GLU 38 -4.018 12.838 1.317 292 HB3 GLU 38 2HB GLU 38 -2.297 12.694 1.690 293 HG2 GLU 38 1HG GLU 38 -2.221 14.699 2.766 294 HG3 GLU 38 2HG GLU 38 -3.265 15.490 1.602 295 H SER 39 H SER 39 -0.674 15.033 -0.970 296 HA SER 39 HA SER 39 0.742 12.973 -2.319 297 HB2 SER 39 1HB SER 39 2.073 15.236 -0.802 298 HB3 SER 39 2HB SER 39 2.541 14.543 -2.363 299 HG SER 39 HG SER 39 1.001 15.740 -3.351 300 H PHE 40 H PHE 40 2.260 11.392 -1.446 301 HA PHE 40 HA PHE 40 3.060 11.817 1.414 302 HB2 PHE 40 1HB PHE 40 2.132 9.148 0.176 303 HB3 PHE 40 2HB PHE 40 3.204 9.325 1.528 304 HD1 PHE 40 1HD PHE 40 -0.287 9.981 0.506 305 HD2 PHE 40 2HD PHE 40 2.565 9.779 3.699 306 HE1 PHE 40 1HE PHE 40 -2.180 10.084 2.193 307 HE2 PHE 40 2HE PHE 40 0.702 10.088 5.379 308 HZ PHE 40 HZ PHE 40 -1.669 10.197 4.575 309 HA PRO 41 HA PRO 41 6.986 10.977 -0.637 310 HB2 PRO 41 1HB PRO 41 8.559 10.488 1.563 311 HB3 PRO 41 2HB PRO 41 8.089 12.133 0.983 312 HG2 PRO 41 1HG PRO 41 6.849 10.520 3.220 313 HG3 PRO 41 2HG PRO 41 7.207 12.268 3.153 314 HD2 PRO 41 1HD PRO 41 4.741 11.091 2.742 315 HD3 PRO 41 2HD PRO 41 5.222 12.615 1.940 316 H LEU 42 H LEU 42 7.021 9.166 -1.693 317 HA LEU 42 HA LEU 42 6.870 6.550 -0.320 318 HB2 LEU 42 1HB LEU 42 5.308 7.150 -2.163 319 HB3 LEU 42 2HB LEU 42 6.622 7.496 -3.172 320 HG LEU 42 HG LEU 42 7.301 5.170 -3.359 321 HD11 LEU 42 1HD1 LEU 42 5.139 4.734 -1.289 322 HD12 LEU 42 2HD1 LEU 42 6.882 4.332 -1.177 323 HD13 LEU 42 3HD1 LEU 42 5.810 3.418 -2.279 324 HD21 LEU 42 3HD2 LEU 42 5.445 5.979 -4.847 325 HD22 LEU 42 1HD2 LEU 42 4.285 5.335 -3.661 326 HD23 LEU 42 2HD2 LEU 42 5.357 4.232 -4.527 327 H VAL 43 H VAL 43 9.202 6.359 0.492 328 HA VAL 43 HA VAL 43 11.268 6.827 -1.376 329 HB VAL 43 HB VAL 43 11.118 6.076 1.600 330 HG11 VAL 43 1HG1 VAL 43 12.941 5.429 0.790 331 HG12 VAL 43 2HG1 VAL 43 13.130 6.960 -0.083 332 HG13 VAL 43 3HG1 VAL 43 13.170 6.888 1.774 333 HG21 VAL 43 3HG2 VAL 43 11.505 8.453 2.087 334 HG22 VAL 43 1HG2 VAL 43 11.738 8.790 0.383 335 HG23 VAL 43 2HG2 VAL 43 10.101 8.507 1.005 336 H ILE 44 H ILE 44 12.799 5.027 -1.480 337 HA ILE 44 HA ILE 44 11.707 2.296 -1.078 338 HB ILE 44 HB ILE 44 13.120 3.236 -3.604 339 HG12 ILE 44 1HG1 ILE 44 10.183 2.519 -3.164 340 HG13 ILE 44 2HG1 ILE 44 10.824 4.128 -3.539 341 HG21 ILE 44 1HG2 ILE 44 11.782 0.554 -3.116 342 HG22 ILE 44 2HG2 ILE 44 12.876 1.008 -4.455 343 HG23 ILE 44 3HG2 ILE 44 13.513 0.832 -2.816 344 HD11 ILE 44 3HD1 ILE 44 10.764 1.724 -5.348 345 HD12 ILE 44 1HD1 ILE 44 10.036 3.334 -5.574 346 HD13 ILE 44 2HD1 ILE 44 11.770 3.188 -5.653 347 H ALA 45 H ALA 45 13.104 1.284 0.231 348 HA ALA 45 HA ALA 45 15.987 1.810 0.017 349 HB1 ALA 45 1HB ALA 45 15.050 3.477 1.662 350 HB2 ALA 45 2HB ALA 45 14.533 2.102 2.665 351 HB3 ALA 45 3HB ALA 45 16.252 2.377 2.323 352 H GLY 46 H GLY 46 16.877 0.440 2.021 353 HA2 GLY 46 2HA GLY 46 17.270 -1.489 2.967 354 HA3 GLY 46 1HA GLY 46 15.564 -1.973 2.760 355 H GLU 47 H GLU 47 17.116 -4.045 2.456 356 HA GLU 47 HA GLU 47 18.695 -4.130 0.117 357 HB2 GLU 47 1HB GLU 47 18.769 -5.377 2.449 358 HB3 GLU 47 2HB GLU 47 17.794 -6.595 1.614 359 HG2 GLU 47 1HG GLU 47 19.591 -6.760 -0.127 360 HG3 GLU 47 2HG GLU 47 20.530 -5.535 0.749 361 H HIS 48 H HIS 48 15.288 -4.537 0.191 362 HA HIS 48 HA HIS 48 15.403 -6.010 -2.349 363 HB2 HIS 48 1HB HIS 48 13.619 -6.460 0.063 364 HB3 HIS 48 2HB HIS 48 13.216 -7.044 -1.481 365 HD1 HIS 48 1HD HIS 48 14.520 -9.226 -2.424 366 HD2 HIS 48 2HD HIS 48 15.435 -7.713 1.401 367 HE1 HIS 48 1HE HIS 48 15.795 -11.051 -1.242 368 H ASN 49 H ASN 49 15.317 -3.144 -2.063 369 HA ASN 49 HA ASN 49 14.087 -1.341 -2.795 370 HB2 ASN 49 1HB ASN 49 12.717 -3.413 -4.546 371 HB3 ASN 49 2HB ASN 49 12.767 -1.709 -4.853 372 HD21 ASN 49 1HD2 ASN 49 15.224 -0.793 -5.061 373 HD22 ASN 49 2HD2 ASN 49 16.304 -1.880 -5.892 374 H ILE 50 H ILE 50 13.084 -1.594 -0.528 375 HA ILE 50 HA ILE 50 10.390 -2.708 -0.370 376 HB ILE 50 HB ILE 50 12.489 -2.080 1.759 377 HG12 ILE 50 1HG1 ILE 50 11.329 -4.695 0.682 378 HG13 ILE 50 2HG1 ILE 50 12.930 -4.105 0.366 379 HG21 ILE 50 1HG2 ILE 50 9.730 -3.270 2.140 380 HG22 ILE 50 2HG2 ILE 50 10.962 -3.031 3.393 381 HG23 ILE 50 3HG2 ILE 50 10.236 -1.639 2.625 382 HD11 ILE 50 3HD1 ILE 50 11.852 -5.061 3.027 383 HD12 ILE 50 1HD1 ILE 50 13.166 -5.751 2.081 384 HD13 ILE 50 2HD1 ILE 50 13.398 -4.181 2.868 385 HA PRO 51 HA PRO 51 9.703 1.780 -0.825 386 HB2 PRO 51 1HB PRO 51 7.079 1.794 -1.416 387 HB3 PRO 51 2HB PRO 51 8.308 1.292 -2.618 388 HG2 PRO 51 1HG PRO 51 6.561 -0.450 -0.906 389 HG3 PRO 51 2HG PRO 51 6.982 -0.614 -2.621 390 HD2 PRO 51 1HD PRO 51 8.272 -1.992 -0.581 391 HD3 PRO 51 2HD PRO 51 8.999 -1.621 -2.153 392 H TRP 52 H TRP 52 9.576 2.935 0.946 393 HA TRP 52 HA TRP 52 7.954 1.982 3.271 394 HB2 TRP 52 1HB TRP 52 10.379 3.800 3.168 395 HB3 TRP 52 2HB TRP 52 9.420 3.476 4.587 396 HD1 TRP 52 HD TRP 52 12.056 1.991 2.390 397 HE1 TRP 52 1HE TRP 52 12.969 -0.192 3.362 398 HE3 TRP 52 3HE TRP 52 8.584 1.201 6.083 399 HZ2 TRP 52 2HZ TRP 52 12.405 -1.920 5.544 400 HZ3 TRP 52 3HZ TRP 52 8.792 -0.756 7.586 401 HH2 TRP 52 HH TRP 52 10.686 -2.333 7.354 402 H LEU 53 H LEU 53 6.065 2.995 3.168 403 HA LEU 53 HA LEU 53 5.804 5.651 2.021 404 HB2 LEU 53 1HB LEU 53 4.070 3.514 2.438 405 HB3 LEU 53 2HB LEU 53 3.611 4.561 3.740 406 HG LEU 53 HG LEU 53 3.656 5.188 0.798 407 HD11 LEU 53 1HD1 LEU 53 1.288 5.258 1.012 408 HD12 LEU 53 2HD1 LEU 53 1.372 5.459 2.765 409 HD13 LEU 53 3HD1 LEU 53 1.716 3.879 2.004 410 HD21 LEU 53 3HD2 LEU 53 2.587 7.223 1.160 411 HD22 LEU 53 1HD2 LEU 53 4.316 7.197 1.441 412 HD23 LEU 53 2HD2 LEU 53 3.193 7.243 2.865 413 H LEU 54 H LEU 54 7.111 6.965 3.231 414 HA LEU 54 HA LEU 54 7.138 7.154 6.074 415 HB2 LEU 54 1HB LEU 54 8.038 8.814 3.667 416 HB3 LEU 54 2HB LEU 54 8.056 9.487 5.296 417 HG LEU 54 HG LEU 54 9.318 7.605 6.084 418 HD11 LEU 54 1HD1 LEU 54 10.631 6.267 4.434 419 HD12 LEU 54 2HD1 LEU 54 9.406 6.864 3.246 420 HD13 LEU 54 3HD1 LEU 54 8.910 5.907 4.681 421 HD21 LEU 54 3HD2 LEU 54 10.488 9.694 5.592 422 HD22 LEU 54 1HD2 LEU 54 10.518 9.309 3.869 423 HD23 LEU 54 2HD2 LEU 54 11.515 8.384 5.003 424 H TYR 55 H TYR 55 5.492 7.826 7.293 425 HA TYR 55 HA TYR 55 3.076 8.751 6.081 426 HB2 TYR 55 1HB TYR 55 3.250 7.320 8.153 427 HB3 TYR 55 2HB TYR 55 3.853 8.709 9.017 428 HD1 TYR 55 2HD TYR 55 0.923 7.969 6.691 429 HD2 TYR 55 1HD TYR 55 2.287 9.802 10.336 430 HE1 TYR 55 2HE TYR 55 -1.400 8.588 7.217 431 HE2 TYR 55 1HE TYR 55 -0.004 10.557 10.805 432 HH TYR 55 HH TYR 55 -2.835 9.378 8.948 433 H LEU 56 H LEU 56 3.802 10.619 4.926 434 HA LEU 56 HA LEU 56 3.795 13.065 6.613 435 HB2 LEU 56 1HB LEU 56 6.146 12.187 5.443 436 HB3 LEU 56 2HB LEU 56 5.594 13.328 4.287 437 HG LEU 56 HG LEU 56 5.184 14.574 6.856 438 HD11 LEU 56 1HD1 LEU 56 7.496 14.632 7.662 439 HD12 LEU 56 2HD1 LEU 56 7.972 13.418 6.454 440 HD13 LEU 56 3HD1 LEU 56 6.812 13.000 7.745 441 HD21 LEU 56 3HD2 LEU 56 7.235 15.143 4.683 442 HD22 LEU 56 1HD2 LEU 56 6.695 16.249 5.983 443 HD23 LEU 56 2HD2 LEU 56 5.552 15.745 4.746 444 HA PRO 57 HA PRO 57 0.700 13.438 3.216 445 HB2 PRO 57 1HB PRO 57 -0.925 15.215 4.545 446 HB3 PRO 57 2HB PRO 57 -1.044 13.432 4.716 447 HG2 PRO 57 1HG PRO 57 0.385 15.404 6.515 448 HG3 PRO 57 2HG PRO 57 -0.720 14.075 6.984 449 HD2 PRO 57 1HD PRO 57 1.995 13.859 7.053 450 HD3 PRO 57 2HD PRO 57 0.989 12.446 6.601 451 H GLY 58 H GLY 58 0.884 15.065 1.676 452 HA2 GLY 58 2HA GLY 58 1.257 17.189 0.783 453 HA3 GLY 58 1HA GLY 58 1.526 17.830 2.403 454 H LYS 59 H LYS 59 3.553 15.003 1.579 455 HA LYS 59 HA LYS 59 5.503 16.749 0.231 456 HB2 LYS 59 1HB LYS 59 6.207 16.331 2.593 457 HB3 LYS 59 2HB LYS 59 5.999 14.601 2.340 458 HG2 LYS 59 1HG LYS 59 8.292 14.871 2.132 459 HG3 LYS 59 2HG LYS 59 7.741 14.806 0.485 460 HD2 LYS 59 1HD LYS 59 9.266 16.626 0.500 461 HD3 LYS 59 2HD LYS 59 7.697 17.440 0.600 462 HE2 LYS 59 1HE LYS 59 7.941 17.608 3.068 463 HE3 LYS 59 2HE LYS 59 9.437 16.669 2.985 464 HZ1 LYS 59 3HZ LYS 59 9.042 19.407 1.953 465 HZ2 LYS 59 1HZ LYS 59 10.347 18.476 1.575 466 HZ3 LYS 59 2HZ LYS 59 10.051 18.885 3.133 467 H GLY 60 H GLY 60 6.567 15.523 -1.524 468 HA2 GLY 60 2HA GLY 60 7.069 13.550 -2.728 469 HA3 GLY 60 1HA GLY 60 5.903 12.641 -1.757 470 H HIS 61 H HIS 61 4.352 11.873 -3.240 471 HA HIS 61 HA HIS 61 3.107 13.831 -5.084 472 HB2 HIS 61 1HB HIS 61 3.985 11.121 -6.088 473 HB3 HIS 61 2HB HIS 61 3.396 12.537 -6.970 474 HD1 HIS 61 1HD HIS 61 5.231 13.453 -8.467 475 HD2 HIS 61 2HD HIS 61 6.651 11.609 -4.966 476 HE1 HIS 61 1HE HIS 61 7.768 13.558 -8.565 477 H CYS 62 H CYS 62 1.185 12.672 -6.253 478 HA CYS 62 HA CYS 62 -0.423 11.360 -4.214 479 HB2 CYS 62 1HB CYS 62 -1.153 11.959 -7.117 480 HB3 CYS 62 2HB CYS 62 -2.261 11.542 -5.825 481 HG CYS 62 HG CYS 62 -2.520 14.082 -6.478 482 H VAL 63 H VAL 63 -0.253 9.276 -3.819 483 HA VAL 63 HA VAL 63 0.922 7.552 -5.863 484 HB VAL 63 HB VAL 63 0.346 7.332 -2.894 485 HG11 VAL 63 1HG1 VAL 63 0.294 5.067 -3.862 486 HG12 VAL 63 2HG1 VAL 63 1.933 5.318 -4.497 487 HG13 VAL 63 3HG1 VAL 63 1.611 5.337 -2.735 488 HG21 VAL 63 3HG2 VAL 63 2.272 8.478 -2.672 489 HG22 VAL 63 1HG2 VAL 63 3.158 7.263 -3.642 490 HG23 VAL 63 2HG2 VAL 63 2.425 8.637 -4.409 491 H THR 64 H THR 64 -0.294 6.350 -7.207 492 HA THR 64 HA THR 64 -3.178 6.212 -6.770 493 HB THR 64 HB THR 64 -3.383 5.227 -8.864 494 HG1 THR 64 1HG THR 64 -0.593 4.716 -8.814 495 HG21 THR 64 3HG2 THR 64 -1.074 7.197 -9.138 496 HG22 THR 64 1HG2 THR 64 -2.817 7.551 -9.108 497 HG23 THR 64 2HG2 THR 64 -2.128 6.633 -10.444 498 H GLY 65 H GLY 65 -4.364 4.139 -6.723 499 HA2 GLY 65 2HA GLY 65 -3.039 1.624 -6.231 500 HA3 GLY 65 1HA GLY 65 -3.705 2.343 -4.758 501 H GLU 66 H GLU 66 -5.365 0.710 -4.648 502 HA GLU 66 HA GLU 66 -7.663 1.087 -6.394 503 HB2 GLU 66 1HB GLU 66 -6.040 -1.125 -6.836 504 HB3 GLU 66 2HB GLU 66 -7.148 -1.728 -5.617 505 HG2 GLU 66 1HG GLU 66 -8.355 -2.260 -7.450 506 HG3 GLU 66 2HG GLU 66 -8.983 -0.635 -7.153 507 H ILE 67 H ILE 67 -9.636 -0.147 -5.047 508 HA ILE 67 HA ILE 67 -9.105 0.435 -2.173 509 HB ILE 67 HB ILE 67 -11.406 1.245 -3.983 510 HG12 ILE 67 1HG1 ILE 67 -9.376 2.904 -2.412 511 HG13 ILE 67 2HG1 ILE 67 -9.352 2.664 -4.163 512 HG21 ILE 67 1HG2 ILE 67 -11.127 1.874 -1.025 513 HG22 ILE 67 2HG2 ILE 67 -12.493 2.233 -2.103 514 HG23 ILE 67 3HG2 ILE 67 -12.189 0.582 -1.647 515 HD11 ILE 67 3HD1 ILE 67 -11.470 4.169 -2.590 516 HD12 ILE 67 1HD1 ILE 67 -10.308 4.813 -3.745 517 HD13 ILE 67 2HD1 ILE 67 -11.593 3.719 -4.310 518 H TYR 68 H TYR 68 -9.661 -1.141 -0.823 519 HA TYR 68 HA TYR 68 -11.547 -3.209 -1.771 520 HB2 TYR 68 1HB TYR 68 -8.975 -3.676 -0.227 521 HB3 TYR 68 2HB TYR 68 -10.212 -4.884 -0.572 522 HD1 TYR 68 1HD TYR 68 -10.840 -5.334 -3.007 523 HD2 TYR 68 2HD TYR 68 -7.301 -3.120 -1.896 524 HE1 TYR 68 1HE TYR 68 -9.894 -5.735 -5.247 525 HE2 TYR 68 2HE TYR 68 -6.343 -3.554 -4.090 526 HH TYR 68 HH TYR 68 -6.485 -4.965 -5.979 527 H GLU 69 H GLU 69 -13.239 -3.408 -0.632 528 HA GLU 69 HA GLU 69 -13.573 -2.687 2.203 529 HB2 GLU 69 1HB GLU 69 -15.492 -2.539 0.695 530 HB3 GLU 69 2HB GLU 69 -15.235 -4.179 0.118 531 HG2 GLU 69 1HG GLU 69 -15.827 -5.018 2.411 532 HG3 GLU 69 2HG GLU 69 -16.130 -3.352 2.909 533 H VAL 70 H VAL 70 -12.491 -3.993 3.641 534 HA VAL 70 HA VAL 70 -12.178 -6.880 2.967 535 HB VAL 70 HB VAL 70 -10.087 -6.913 4.108 536 HG11 VAL 70 1HG1 VAL 70 -8.662 -5.697 2.545 537 HG12 VAL 70 2HG1 VAL 70 -10.008 -6.471 1.714 538 HG13 VAL 70 3HG1 VAL 70 -10.048 -4.727 2.011 539 HG21 VAL 70 3HG2 VAL 70 -10.289 -3.930 4.505 540 HG22 VAL 70 1HG2 VAL 70 -10.320 -5.176 5.776 541 HG23 VAL 70 2HG2 VAL 70 -8.854 -4.923 4.826 542 H ASP 71 H ASP 71 -11.834 -8.184 4.999 543 HA ASP 71 HA ASP 71 -13.757 -7.268 7.111 544 HB2 ASP 71 1HB ASP 71 -12.853 -10.025 6.253 545 HB3 ASP 71 2HB ASP 71 -13.260 -9.732 7.939 546 H GLU 72 H GLU 72 -13.070 -8.046 9.212 547 HA GLU 72 HA GLU 72 -10.549 -7.017 10.112 548 HB2 GLU 72 1HB GLU 72 -12.874 -8.347 11.303 549 HB3 GLU 72 2HB GLU 72 -11.378 -9.065 11.921 550 HG2 GLU 72 1HG GLU 72 -10.522 -6.754 12.406 551 HG3 GLU 72 2HG GLU 72 -12.093 -6.139 11.859 552 H GLN 73 H GLN 73 -11.603 -10.287 9.086 553 HA GLN 73 HA GLN 73 -9.351 -11.616 10.037 554 HB2 GLN 73 1HB GLN 73 -11.434 -12.677 9.164 555 HB3 GLN 73 2HB GLN 73 -10.899 -12.300 7.528 556 HG2 GLN 73 1HG GLN 73 -10.431 -14.665 8.228 557 HG3 GLN 73 2HG GLN 73 -8.983 -13.801 7.751 558 HE21 GLN 73 1HE2 GLN 73 -7.421 -13.266 9.318 559 HE22 GLN 73 2HE2 GLN 73 -7.413 -13.942 10.933 560 H MET 74 H MET 74 -9.745 -9.790 7.022 561 HA MET 74 HA MET 74 -7.130 -10.519 5.950 562 HB2 MET 74 1HB MET 74 -8.890 -9.981 4.408 563 HB3 MET 74 2HB MET 74 -9.275 -8.507 5.241 564 HG2 MET 74 1HG MET 74 -8.070 -8.121 3.128 565 HG3 MET 74 2HG MET 74 -7.239 -7.430 4.518 566 HE1 MET 74 3HE MET 74 -5.981 -11.314 2.358 567 HE2 MET 74 1HE MET 74 -7.114 -11.359 3.733 568 HE3 MET 74 2HE MET 74 -7.563 -10.470 2.269 569 H LEU 75 H LEU 75 -8.625 -7.670 7.560 570 HA LEU 75 HA LEU 75 -6.261 -6.118 7.681 571 HB2 LEU 75 1HB LEU 75 -8.814 -5.716 8.451 572 HB3 LEU 75 2HB LEU 75 -8.151 -6.079 10.027 573 HG LEU 75 HG LEU 75 -6.450 -4.228 9.714 574 HD11 LEU 75 1HD1 LEU 75 -6.936 -2.524 7.936 575 HD12 LEU 75 2HD1 LEU 75 -8.089 -3.663 7.197 576 HD13 LEU 75 3HD1 LEU 75 -6.353 -4.038 7.267 577 HD21 LEU 75 3HD2 LEU 75 -8.554 -3.849 10.928 578 HD22 LEU 75 1HD2 LEU 75 -9.375 -3.425 9.410 579 HD23 LEU 75 2HD2 LEU 75 -8.057 -2.402 10.045 580 H ARG 76 H ARG 76 -7.176 -8.779 9.683 581 HA ARG 76 HA ARG 76 -4.978 -8.577 11.644 582 HB2 ARG 76 1HB ARG 76 -6.923 -10.784 10.888 583 HB3 ARG 76 2HB ARG 76 -5.706 -10.947 12.149 584 HG2 ARG 76 1HG ARG 76 -6.667 -9.273 13.502 585 HG3 ARG 76 2HG ARG 76 -7.736 -8.663 12.234 586 HD2 ARG 76 1HD ARG 76 -8.946 -10.819 12.175 587 HD3 ARG 76 2HD ARG 76 -7.831 -11.453 13.395 588 HE ARG 76 HE ARG 76 -9.762 -9.180 13.848 589 HH11 ARG 76 1HH1 ARG 76 -8.332 -12.237 15.049 590 HH12 ARG 76 2HH1 ARG 76 -8.764 -11.941 16.678 591 HH21 ARG 76 1HH2 ARG 76 -10.697 -9.009 15.817 592 HH22 ARG 76 2HH2 ARG 76 -10.384 -10.177 17.099 593 H PHE 77 H PHE 77 -5.533 -10.380 8.612 594 HA PHE 77 HA PHE 77 -3.052 -11.850 8.734 595 HB2 PHE 77 1HB PHE 77 -4.778 -12.656 7.281 596 HB3 PHE 77 2HB PHE 77 -4.946 -11.106 6.471 597 HD1 PHE 77 1HD PHE 77 -2.597 -13.998 6.927 598 HD2 PHE 77 2HD PHE 77 -3.574 -10.477 4.630 599 HE1 PHE 77 1HE PHE 77 -0.865 -14.587 5.315 600 HE2 PHE 77 2HE PHE 77 -1.794 -11.064 2.996 601 HZ PHE 77 HZ PHE 77 -0.432 -13.113 3.328 602 H LEU 78 H LEU 78 -3.874 -8.757 7.034 603 HA LEU 78 HA LEU 78 -1.327 -8.378 5.854 604 HB2 LEU 78 1HB LEU 78 -3.280 -6.296 6.914 605 HB3 LEU 78 2HB LEU 78 -1.872 -5.920 5.917 606 HG LEU 78 HG LEU 78 -4.228 -7.640 5.065 607 HD11 LEU 78 1HD1 LEU 78 -4.820 -5.280 5.302 608 HD12 LEU 78 2HD1 LEU 78 -4.806 -5.752 3.598 609 HD13 LEU 78 3HD1 LEU 78 -3.449 -4.810 4.273 610 HD21 LEU 78 3HD2 LEU 78 -3.222 -7.326 2.756 611 HD22 LEU 78 1HD2 LEU 78 -2.349 -8.428 3.828 612 HD23 LEU 78 2HD2 LEU 78 -1.728 -6.784 3.568 613 H ASP 79 H ASP 79 -2.436 -7.612 9.085 614 HA ASP 79 HA ASP 79 -0.340 -6.089 10.096 615 HB2 ASP 79 1HB ASP 79 -2.613 -7.644 11.044 616 HB3 ASP 79 2HB ASP 79 -1.276 -7.823 12.172 617 H ASP 80 H ASP 80 -0.299 -9.497 9.315 618 HA ASP 80 HA ASP 80 2.215 -10.045 10.828 619 HB2 ASP 80 1HB ASP 80 0.406 -11.714 10.825 620 HB3 ASP 80 2HB ASP 80 0.416 -11.777 9.069 621 H PHE 81 H PHE 81 1.024 -9.307 7.590 622 HA PHE 81 HA PHE 81 3.093 -10.705 6.158 623 HB2 PHE 81 1HB PHE 81 0.865 -10.446 5.218 624 HB3 PHE 81 2HB PHE 81 0.966 -8.693 5.356 625 HD1 PHE 81 1HD PHE 81 3.298 -11.311 3.917 626 HD2 PHE 81 2HD PHE 81 1.045 -7.688 3.264 627 HE1 PHE 81 1HE PHE 81 4.267 -11.115 1.649 628 HE2 PHE 81 2HE PHE 81 1.978 -7.524 0.987 629 HZ PHE 81 HZ PHE 81 3.594 -9.236 0.162 630 H GLU 82 H GLU 82 2.398 -7.285 6.968 631 HA GLU 82 HA GLU 82 5.067 -6.468 5.985 632 HB2 GLU 82 1HB GLU 82 4.191 -4.150 6.628 633 HB3 GLU 82 2HB GLU 82 3.595 -4.966 5.244 634 HG2 GLU 82 1HG GLU 82 1.868 -5.498 7.573 635 HG3 GLU 82 2HG GLU 82 2.124 -3.791 7.316 636 H ASP 83 H ASP 83 4.513 -8.106 8.574 637 HA ASP 83 HA ASP 83 5.107 -8.172 10.737 638 HB2 ASP 83 1HB ASP 83 7.420 -8.162 9.346 639 HB3 ASP 83 2HB ASP 83 7.679 -6.712 10.261 640 H CYS 84 H CYS 84 3.407 -6.038 10.379 641 HA CYS 84 HA CYS 84 4.464 -3.758 11.835 642 HB2 CYS 84 1HB CYS 84 2.380 -2.793 11.687 643 HB3 CYS 84 2HB CYS 84 2.307 -3.885 10.304 644 HG CYS 84 HG CYS 84 1.316 -5.891 11.902 645 HA PRO 85 HA PRO 85 3.572 -2.361 13.554 646 HB2 PRO 85 1HB PRO 85 4.239 -1.575 16.064 647 HB3 PRO 85 2HB PRO 85 2.575 -2.083 15.642 648 HG2 PRO 85 1HG PRO 85 4.757 -3.728 16.965 649 HG3 PRO 85 2HG PRO 85 3.040 -3.571 17.457 650 HD2 PRO 85 1HD PRO 85 3.997 -5.655 15.930 651 HD3 PRO 85 2HD PRO 85 2.336 -5.025 15.767 652 H SER 86 H SER 86 5.977 -4.730 14.084 653 HA SER 86 HA SER 86 8.217 -3.352 14.921 654 HB2 SER 86 1HB SER 86 8.464 -5.576 12.921 655 HB3 SER 86 2HB SER 86 9.309 -5.294 14.440 656 HG SER 86 HG SER 86 7.284 -6.858 13.912 657 H MET 87 H MET 87 7.317 -4.191 11.500 658 HA MET 87 HA MET 87 9.510 -2.437 10.559 659 HB2 MET 87 1HB MET 87 7.632 -4.300 9.101 660 HB3 MET 87 2HB MET 87 8.805 -3.291 8.298 661 HG2 MET 87 1HG MET 87 10.621 -4.490 9.300 662 HG3 MET 87 2HG MET 87 9.551 -5.376 10.371 663 HE1 MET 87 3HE MET 87 9.263 -6.089 5.771 664 HE2 MET 87 1HE MET 87 8.196 -4.981 6.654 665 HE3 MET 87 2HE MET 87 9.927 -4.594 6.468 666 H TYR 88 H TYR 88 6.077 -2.848 9.429 667 HA TYR 88 HA TYR 88 5.931 0.089 8.966 668 HB2 TYR 88 1HB TYR 88 4.176 -2.275 8.176 669 HB3 TYR 88 2HB TYR 88 3.743 -0.596 7.892 670 HD1 TYR 88 1HD TYR 88 6.244 -3.237 7.020 671 HD2 TYR 88 2HD TYR 88 4.674 0.667 6.074 672 HE1 TYR 88 1HE TYR 88 7.701 -3.134 5.025 673 HE2 TYR 88 2HE TYR 88 6.080 0.738 4.039 674 HH TYR 88 HH TYR 88 7.714 -0.404 2.731 675 H GLN 89 H GLN 89 3.661 0.976 9.664 676 HA GLN 89 HA GLN 89 2.412 -0.425 11.925 677 HB2 GLN 89 1HB GLN 89 3.354 2.477 12.023 678 HB3 GLN 89 2HB GLN 89 2.050 1.842 13.026 679 HG2 GLN 89 1HG GLN 89 3.568 1.301 14.542 680 HG3 GLN 89 2HG GLN 89 4.081 -0.007 13.511 681 HE21 GLN 89 1HE2 GLN 89 6.125 0.317 12.284 682 HE22 GLN 89 2HE2 GLN 89 7.193 1.669 12.655 683 H ARG 90 H ARG 90 0.208 -0.248 11.801 684 HA ARG 90 HA ARG 90 -0.904 0.554 9.227 685 HB2 ARG 90 1HB ARG 90 -1.663 -1.449 10.470 686 HB3 ARG 90 2HB ARG 90 -2.235 -0.443 11.772 687 HG2 ARG 90 1HG ARG 90 -3.271 0.350 9.067 688 HG3 ARG 90 2HG ARG 90 -3.728 -1.270 9.523 689 HD2 ARG 90 1HD ARG 90 -4.305 1.254 11.131 690 HD3 ARG 90 2HD ARG 90 -5.427 0.235 10.193 691 HE ARG 90 HE ARG 90 -4.815 -1.646 11.705 692 HH11 ARG 90 1HH1 ARG 90 -4.607 1.629 13.073 693 HH12 ARG 90 2HH1 ARG 90 -4.743 1.019 14.696 694 HH21 ARG 90 1HH2 ARG 90 -5.051 -2.338 13.705 695 HH22 ARG 90 2HH2 ARG 90 -5.047 -1.309 15.091 696 H THR 91 H THR 91 -1.834 2.646 8.741 697 HA THR 91 HA THR 91 -2.522 4.289 11.111 698 HB THR 91 HB THR 91 -1.208 5.355 8.603 699 HG1 THR 91 1HG THR 91 0.635 4.694 9.193 700 HG21 THR 91 3HG2 THR 91 -0.379 7.073 10.221 701 HG22 THR 91 1HG2 THR 91 -1.286 6.277 11.516 702 HG23 THR 91 2HG2 THR 91 -2.147 7.024 10.154 703 H ALA 92 H ALA 92 -4.077 5.908 10.713 704 HA ALA 92 HA ALA 92 -6.037 5.451 8.539 705 HB1 ALA 92 1HB ALA 92 -7.374 7.019 9.772 706 HB2 ALA 92 2HB ALA 92 -6.723 5.828 10.922 707 HB3 ALA 92 3HB ALA 92 -6.009 7.447 10.841 708 H LEU 93 H LEU 93 -6.258 6.813 6.778 709 HA LEU 93 HA LEU 93 -5.060 9.468 6.703 710 HB2 LEU 93 1HB LEU 93 -3.478 9.011 5.080 711 HB3 LEU 93 2HB LEU 93 -3.325 7.575 6.101 712 HG LEU 93 HG LEU 93 -4.466 7.479 3.468 713 HD11 LEU 93 1HD1 LEU 93 -2.375 7.961 3.495 714 HD12 LEU 93 2HD1 LEU 93 -2.668 6.345 2.926 715 HD13 LEU 93 3HD1 LEU 93 -1.986 6.600 4.586 716 HD21 LEU 93 3HD2 LEU 93 -5.967 6.194 4.886 717 HD22 LEU 93 1HD2 LEU 93 -4.571 5.349 5.558 718 HD23 LEU 93 2HD2 LEU 93 -5.063 5.241 3.816 719 H GLN 94 H GLN 94 -5.242 10.275 4.306 720 HA GLN 94 HA GLN 94 -7.976 9.762 3.452 721 HB2 GLN 94 1HB GLN 94 -7.056 12.094 4.001 722 HB3 GLN 94 2HB GLN 94 -6.001 11.927 2.603 723 HG2 GLN 94 1HG GLN 94 -7.688 13.229 1.760 724 HG3 GLN 94 2HG GLN 94 -8.237 11.653 1.222 725 HE21 GLN 94 1HE2 GLN 94 -10.124 10.642 2.432 726 HE22 GLN 94 2HE2 GLN 94 -11.100 11.692 3.433 727 H VAL 95 H VAL 95 -8.654 9.105 1.431 728 HA VAL 95 HA VAL 95 -6.700 8.775 -0.772 729 HB VAL 95 HB VAL 95 -8.615 6.733 0.430 730 HG11 VAL 95 1HG1 VAL 95 -8.065 5.207 -1.430 731 HG12 VAL 95 2HG1 VAL 95 -8.994 6.595 -1.959 732 HG13 VAL 95 3HG1 VAL 95 -7.241 6.541 -2.281 733 HG21 VAL 95 3HG2 VAL 95 -5.637 6.602 -0.211 734 HG22 VAL 95 1HG2 VAL 95 -6.355 6.720 1.404 735 HG23 VAL 95 2HG2 VAL 95 -6.609 5.273 0.444 736 H GLN 96 H GLN 96 -7.652 9.413 -2.801 737 HA GLN 96 HA GLN 96 -10.305 10.565 -2.826 738 HB2 GLN 96 1HB GLN 96 -8.735 11.863 -4.017 739 HB3 GLN 96 2HB GLN 96 -7.986 10.437 -4.802 740 HG2 GLN 96 1HG GLN 96 -10.027 10.155 -6.163 741 HG3 GLN 96 2HG GLN 96 -10.801 11.463 -5.348 742 HE21 GLN 96 1HE2 GLN 96 -10.919 13.286 -6.519 743 HE22 GLN 96 2HE2 GLN 96 -9.684 13.841 -7.691 744 H VAL 97 H VAL 97 -11.914 9.595 -4.106 745 HA VAL 97 HA VAL 97 -11.398 6.755 -4.830 746 HB VAL 97 HB VAL 97 -12.686 7.129 -2.899 747 HG11 VAL 97 1HG1 VAL 97 -14.826 8.405 -4.160 748 HG12 VAL 97 2HG1 VAL 97 -14.746 7.691 -2.555 749 HG13 VAL 97 3HG1 VAL 97 -13.609 8.976 -2.851 750 HG21 VAL 97 3HG2 VAL 97 -14.650 6.050 -4.963 751 HG22 VAL 97 1HG2 VAL 97 -13.187 5.127 -4.567 752 HG23 VAL 97 2HG2 VAL 97 -14.393 5.452 -3.294 753 H LEU 98 H LEU 98 -10.612 7.269 -6.696 754 HA LEU 98 HA LEU 98 -11.479 8.833 -8.836 755 HB2 LEU 98 1HB LEU 98 -9.803 6.391 -8.434 756 HB3 LEU 98 2HB LEU 98 -10.606 6.449 -9.993 757 HG LEU 98 HG LEU 98 -9.617 8.742 -10.349 758 HD11 LEU 98 1HD1 LEU 98 -9.021 9.259 -7.971 759 HD12 LEU 98 2HD1 LEU 98 -7.609 9.309 -9.018 760 HD13 LEU 98 3HD1 LEU 98 -7.856 7.913 -7.975 761 HD21 LEU 98 3HD2 LEU 98 -8.786 6.680 -11.380 762 HD22 LEU 98 1HD2 LEU 98 -7.762 6.342 -9.964 763 HD23 LEU 98 2HD2 LEU 98 -7.457 7.762 -10.986 764 H GLU 99 H GLU 99 -12.606 5.546 -7.804 765 HA GLU 99 HA GLU 99 -15.068 6.009 -9.272 766 HB2 GLU 99 1HB GLU 99 -13.149 4.769 -10.696 767 HB3 GLU 99 2HB GLU 99 -13.629 3.386 -9.737 768 HG2 GLU 99 1HG GLU 99 -15.007 3.127 -11.508 769 HG3 GLU 99 2HG GLU 99 -16.082 4.154 -10.562 770 H TRP 100 H TRP 100 -16.676 4.625 -8.393 771 HA TRP 100 HA TRP 100 -15.962 2.967 -6.019 772 HB2 TRP 100 1HB TRP 100 -16.985 5.170 -5.361 773 HB3 TRP 100 2HB TRP 100 -18.416 4.758 -6.289 774 HD1 TRP 100 HD TRP 100 -20.323 3.663 -4.800 775 HE1 TRP 100 1HE TRP 100 -20.437 2.512 -2.544 776 HE3 TRP 100 3HE TRP 100 -15.306 3.387 -3.747 777 HZ2 TRP 100 2HZ TRP 100 -18.659 1.997 -0.340 778 HZ3 TRP 100 3HZ TRP 100 -14.558 2.664 -1.509 779 HH2 TRP 100 HH TRP 100 -16.207 1.960 0.218 780 H GLU 101 H GLU 101 -16.905 0.983 -6.051 781 HA GLU 101 HA GLU 101 -18.972 0.470 -8.120 782 HB2 GLU 101 1HB GLU 101 -16.966 -1.480 -6.907 783 HB3 GLU 101 2HB GLU 101 -18.202 -1.877 -8.093 784 HG2 GLU 101 1HG GLU 101 -15.740 -0.155 -8.508 785 HG3 GLU 101 2HG GLU 101 -16.024 -1.750 -9.147 786 H GLY 102 H GLY 102 -20.871 0.659 -7.150 787 HA2 GLY 102 2HA GLY 102 -22.479 -0.911 -6.069 788 HA3 GLY 102 1HA GLY 102 -21.368 -0.976 -4.698 789 H ASP 103 H ASP 103 -23.536 -0.449 -3.790 790 HA ASP 103 HA ASP 103 -24.145 2.420 -3.760 791 HB2 ASP 103 1HB ASP 103 -25.936 0.670 -3.599 792 HB3 ASP 103 2HB ASP 103 -25.253 0.179 -2.039 793 H GLY 104 H GLY 104 -24.243 3.374 -1.431 794 HA2 GLY 104 2HA GLY 104 -23.337 3.747 0.649 795 HA3 GLY 104 1HA GLY 104 -22.239 2.357 0.456 796 H ASP 105 H ASP 105 -22.960 5.272 -1.325 797 HA ASP 105 HA ASP 105 -20.454 5.747 -2.480 798 HB2 ASP 105 1HB ASP 105 -22.363 5.848 -3.829 799 HB3 ASP 105 2HB ASP 105 -23.240 6.874 -2.687 800 HA PRO 106 HA PRO 106 -19.817 8.580 1.094 801 HB2 PRO 106 1HB PRO 106 -17.128 8.196 1.418 802 HB3 PRO 106 2HB PRO 106 -18.296 6.910 1.727 803 HG2 PRO 106 1HG PRO 106 -16.690 7.364 -0.814 804 HG3 PRO 106 2HG PRO 106 -16.862 5.867 0.138 805 HD2 PRO 106 1HD PRO 106 -18.367 6.544 -2.086 806 HD3 PRO 106 2HD PRO 106 -18.881 5.434 -0.799 807 H GLY 107 H GLY 107 -19.330 9.248 -2.206 808 HA2 GLY 107 2HA GLY 107 -18.766 11.185 -3.286 809 HA3 GLY 107 1HA GLY 107 -18.237 11.924 -1.772 810 H ASP 108 H ASP 108 -16.433 12.412 -3.306 811 HA ASP 108 HA ASP 108 -14.503 10.334 -4.237 812 HB2 ASP 108 1HB ASP 108 -15.537 12.463 -5.477 813 HB3 ASP 108 2HB ASP 108 -14.498 13.358 -4.370 814 H SER 109 H SER 109 -14.467 11.862 -1.197 815 HA SER 109 HA SER 109 -11.910 10.552 -1.389 816 HB2 SER 109 1HB SER 109 -10.847 11.976 0.232 817 HB3 SER 109 2HB SER 109 -10.947 12.637 -1.402 818 HG SER 109 HG SER 109 -12.282 14.136 -0.794 819 H VAL 110 H VAL 110 -11.673 8.999 -0.073 820 HA VAL 110 HA VAL 110 -13.557 8.681 2.198 821 HB VAL 110 HB VAL 110 -13.210 6.326 1.969 822 HG11 VAL 110 1HG1 VAL 110 -14.166 5.842 -0.179 823 HG12 VAL 110 2HG1 VAL 110 -14.900 7.203 0.667 824 HG13 VAL 110 3HG1 VAL 110 -13.792 7.504 -0.695 825 HG21 VAL 110 3HG2 VAL 110 -11.305 6.921 -0.374 826 HG22 VAL 110 1HG2 VAL 110 -10.806 6.283 1.201 827 HG23 VAL 110 2HG2 VAL 110 -11.832 5.313 0.156 828 H GLN 111 H GLN 111 -12.734 7.904 4.150 829 HA GLN 111 HA GLN 111 -9.881 8.383 4.781 830 HB2 GLN 111 1HB GLN 111 -11.612 9.322 6.256 831 HB3 GLN 111 2HB GLN 111 -12.346 7.734 6.452 832 HG2 GLN 111 1HG GLN 111 -9.453 8.116 7.267 833 HG3 GLN 111 2HG GLN 111 -10.744 8.764 8.286 834 HE21 GLN 111 1HE2 GLN 111 -9.174 5.821 7.214 835 HE22 GLN 111 2HE2 GLN 111 -10.361 4.699 7.876 836 H CYS 112 H CYS 112 -8.557 6.614 4.682 837 HA CYS 112 HA CYS 112 -9.760 3.861 4.654 838 HB2 CYS 112 1HB CYS 112 -7.562 5.069 2.942 839 HB3 CYS 112 2HB CYS 112 -7.541 3.337 3.319 840 HG CYS 112 HG CYS 112 -8.596 3.826 0.918 841 H PHE 113 H PHE 113 -8.058 2.170 5.296 842 HA PHE 113 HA PHE 113 -6.039 3.184 7.225 843 HB2 PHE 113 1HB PHE 113 -6.874 0.329 6.728 844 HB3 PHE 113 2HB PHE 113 -5.625 0.848 7.803 845 HD1 PHE 113 1HD PHE 113 -6.205 2.241 9.877 846 HD2 PHE 113 2HD PHE 113 -9.242 0.413 7.398 847 HE1 PHE 113 1HE PHE 113 -7.812 2.351 11.761 848 HE2 PHE 113 2HE PHE 113 -10.873 0.694 9.221 849 HZ PHE 113 HZ PHE 113 -10.170 1.609 11.434 850 H VAL 114 H VAL 114 -3.937 3.067 6.629 851 HA VAL 114 HA VAL 114 -2.994 1.576 4.327 852 HB VAL 114 HB VAL 114 -2.886 4.640 4.453 853 HG11 VAL 114 1HG1 VAL 114 -1.087 4.469 2.710 854 HG12 VAL 114 2HG1 VAL 114 -0.524 3.963 4.283 855 HG13 VAL 114 3HG1 VAL 114 -0.907 2.742 3.080 856 HG21 VAL 114 3HG2 VAL 114 -3.122 2.837 2.081 857 HG22 VAL 114 1HG2 VAL 114 -4.527 3.359 3.039 858 HG23 VAL 114 2HG2 VAL 114 -3.535 4.577 2.280 859 H TYR 115 H TYR 115 -1.171 0.524 4.986 860 HA TYR 115 HA TYR 115 0.026 1.147 7.583 861 HB2 TYR 115 1HB TYR 115 0.775 -0.822 5.382 862 HB3 TYR 115 2HB TYR 115 1.632 -0.653 6.903 863 HD1 TYR 115 2HD TYR 115 -1.645 -1.605 5.418 864 HD2 TYR 115 1HD TYR 115 0.975 -1.929 8.810 865 HE1 TYR 115 2HE TYR 115 -3.176 -3.299 6.444 866 HE2 TYR 115 1HE TYR 115 -0.508 -3.684 9.778 867 HH TYR 115 HH TYR 115 -2.537 -4.686 9.672 868 H THR 116 H THR 116 1.980 2.163 7.907 869 HA THR 116 HA THR 116 3.564 3.292 5.671 870 HB THR 116 HB THR 116 3.359 5.540 6.731 871 HG1 THR 116 1HG THR 116 2.583 4.892 8.800 872 HG21 THR 116 3HG2 THR 116 1.743 4.671 4.841 873 HG22 THR 116 1HG2 THR 116 1.421 6.203 5.635 874 HG23 THR 116 2HG2 THR 116 0.522 4.747 6.116 875 H THR 117 H THR 117 5.297 4.779 7.136 876 HA THR 117 HA THR 117 5.872 3.303 9.625 877 HB THR 117 HB THR 117 7.455 2.241 8.300 878 HG1 THR 117 1HG THR 117 9.382 3.026 8.943 879 HG21 THR 117 3HG2 THR 117 7.950 4.872 6.860 880 HG22 THR 117 1HG2 THR 117 7.320 3.335 6.196 881 HG23 THR 117 2HG2 THR 117 9.004 3.445 6.739 882 H ALA 118 H ALA 118 6.579 4.561 11.211 883 HA ALA 118 HA ALA 118 6.763 7.506 10.807 884 HB1 ALA 118 1HB ALA 118 6.019 5.880 13.275 885 HB2 ALA 118 2HB ALA 118 6.155 7.645 13.179 886 HB3 ALA 118 3HB ALA 118 4.908 6.819 12.224 887 H THR 119 H THR 119 8.605 4.747 11.016 888 HA THR 119 HA THR 119 10.584 5.696 12.954 889 HB THR 119 HB THR 119 10.798 3.043 13.078 890 HG1 THR 119 1HG THR 119 9.421 2.187 11.700 891 HG21 THR 119 3HG2 THR 119 9.016 3.058 14.750 892 HG22 THR 119 1HG2 THR 119 8.347 4.556 14.060 893 HG23 THR 119 2HG2 THR 119 9.957 4.569 14.817 894 H TYR 120 H TYR 120 10.499 6.225 10.049 895 HA TYR 120 HA TYR 120 12.355 4.602 8.716 896 HB2 TYR 120 1HB TYR 120 12.348 6.735 7.132 897 HB3 TYR 120 2HB TYR 120 10.881 5.788 7.334 898 HD1 TYR 120 1HD TYR 120 12.546 8.991 8.236 899 HD2 TYR 120 2HD TYR 120 8.928 6.668 8.447 900 HE1 TYR 120 1HE TYR 120 11.296 10.999 9.044 901 HE2 TYR 120 2HE TYR 120 7.670 8.664 9.199 902 HH TYR 120 HH TYR 120 7.874 10.852 9.998 903 H ALA 121 H ALA 121 14.511 5.153 7.956 904 HA ALA 121 HA ALA 121 16.275 6.084 9.983 905 HB1 ALA 121 1HB ALA 121 16.826 5.717 7.005 906 HB2 ALA 121 2HB ALA 121 18.015 5.653 8.309 907 HB3 ALA 121 3HB ALA 121 16.792 4.384 8.176 908 HA PRO 122 HA PRO 122 16.432 10.360 9.081 909 HB2 PRO 122 1HB PRO 122 18.977 11.177 9.717 910 HB3 PRO 122 2HB PRO 122 17.750 10.674 10.907 911 HG2 PRO 122 1HG PRO 122 20.022 9.048 9.790 912 HG3 PRO 122 2HG PRO 122 19.453 9.154 11.477 913 HD2 PRO 122 1HD PRO 122 18.738 7.103 9.801 914 HD3 PRO 122 2HD PRO 122 17.653 7.730 11.076 915 H GLU 123 H GLU 123 19.104 8.615 7.427 916 HA GLU 123 HA GLU 123 19.380 10.581 5.381 917 HB2 GLU 123 1HB GLU 123 20.144 8.527 3.989 918 HB3 GLU 123 2HB GLU 123 21.126 9.104 5.297 919 HG2 GLU 123 1HG GLU 123 19.161 6.991 6.083 920 HG3 GLU 123 2HG GLU 123 20.406 6.479 4.917 921 H TRP 124 H TRP 124 16.803 8.224 5.878 922 HA TRP 124 HA TRP 124 16.065 8.152 3.099 923 HB2 TRP 124 1HB TRP 124 14.463 7.491 5.583 924 HB3 TRP 124 2HB TRP 124 13.940 7.180 3.962 925 HD1 TRP 124 HD TRP 124 17.431 6.120 3.802 926 HE1 TRP 124 1HE TRP 124 17.616 3.570 4.103 927 HE3 TRP 124 3HE TRP 124 12.739 5.177 5.344 928 HZ2 TRP 124 2HZ TRP 124 16.067 1.474 5.426 929 HZ3 TRP 124 3HZ TRP 124 12.097 2.847 6.237 930 HH2 TRP 124 HH TRP 124 13.787 1.060 6.304 931 H LEU 125 H LEU 125 15.739 10.697 5.399 932 HA LEU 125 HA LEU 125 13.356 11.879 4.219 933 HB2 LEU 125 1HB LEU 125 15.665 13.030 5.851 934 HB3 LEU 125 2HB LEU 125 14.429 14.034 5.146 935 HG LEU 125 HG LEU 125 13.865 13.771 7.376 936 HD11 LEU 125 1HD1 LEU 125 11.611 12.903 7.298 937 HD12 LEU 125 2HD1 LEU 125 11.967 11.914 5.876 938 HD13 LEU 125 3HD1 LEU 125 11.978 13.698 5.766 939 HD21 LEU 125 3HD2 LEU 125 13.883 10.753 7.096 940 HD22 LEU 125 1HD2 LEU 125 13.456 11.711 8.540 941 HD23 LEU 125 2HD2 LEU 125 15.106 11.760 7.912 942 H PHE 126 H PHE 126 16.765 11.677 3.296 943 HA PHE 126 HA PHE 126 16.465 13.738 1.207 944 HB2 PHE 126 1HB PHE 126 18.825 11.913 1.724 945 HB3 PHE 126 2HB PHE 126 18.813 13.429 0.849 946 HD1 PHE 126 2HD PHE 126 17.807 15.506 2.424 947 HD2 PHE 126 1HD PHE 126 19.854 11.966 3.779 948 HE1 PHE 126 2HE PHE 126 18.367 16.643 4.556 949 HE2 PHE 126 1HE PHE 126 20.363 13.063 5.917 950 HZ PHE 126 HZ PHE 126 19.621 15.424 6.330 951 H LEU 127 H LEU 127 15.795 10.388 1.502 952 HA LEU 127 HA LEU 127 16.859 9.466 -0.996 953 HB2 LEU 127 1HB LEU 127 14.784 8.492 0.964 954 HB3 LEU 127 2HB LEU 127 14.758 7.794 -0.617 955 HG LEU 127 HG LEU 127 17.046 7.653 1.346 956 HD11 LEU 127 1HD1 LEU 127 16.577 5.235 1.315 957 HD12 LEU 127 2HD1 LEU 127 15.222 5.518 0.198 958 HD13 LEU 127 3HD1 LEU 127 15.155 6.154 1.840 959 HD21 LEU 127 3HD2 LEU 127 16.918 6.513 -1.466 960 HD22 LEU 127 1HD2 LEU 127 18.145 6.124 -0.250 961 HD23 LEU 127 2HD2 LEU 127 18.061 7.760 -0.868 962 HA PRO 128 HA PRO 128 13.924 11.326 -3.748 963 HB2 PRO 128 1HB PRO 128 13.823 9.547 -5.829 964 HB3 PRO 128 2HB PRO 128 15.205 10.647 -5.529 965 HG2 PRO 128 1HG PRO 128 14.918 7.744 -4.712 966 HG3 PRO 128 2HG PRO 128 16.318 8.537 -5.510 967 HD2 PRO 128 1HD PRO 128 16.221 8.105 -2.823 968 HD3 PRO 128 2HD PRO 128 16.960 9.595 -3.480 969 H TYR 129 H TYR 129 11.752 11.267 -4.118 970 HA TYR 129 HA TYR 129 10.159 9.067 -2.906 971 HB2 TYR 129 1HB TYR 129 9.358 11.810 -3.782 972 HB3 TYR 129 2HB TYR 129 8.432 10.655 -2.857 973 HD1 TYR 129 1HD TYR 129 10.764 9.940 -0.972 974 HD2 TYR 129 2HD TYR 129 9.265 13.705 -2.306 975 HE1 TYR 129 1HE TYR 129 11.766 11.021 1.035 976 HE2 TYR 129 2HE TYR 129 10.217 14.813 -0.354 977 HH TYR 129 HH TYR 129 12.509 13.326 1.753 978 H HIS 130 H HIS 130 8.185 8.534 -4.089 979 HA HIS 130 HA HIS 130 8.451 8.714 -7.018 980 HB2 HIS 130 1HB HIS 130 8.056 6.205 -5.326 981 HB3 HIS 130 2HB HIS 130 7.834 6.247 -7.065 982 HD1 HIS 130 1HD HIS 130 9.965 6.069 -8.562 983 HD2 HIS 130 2HD HIS 130 10.748 6.590 -4.448 984 HE1 HIS 130 1HE HIS 130 12.456 5.604 -8.224 985 H GLU 131 H GLU 131 6.407 8.084 -8.169 986 HA GLU 131 HA GLU 131 4.022 8.940 -6.575 987 HB2 GLU 131 1HB GLU 131 5.007 10.178 -8.635 988 HB3 GLU 131 2HB GLU 131 4.410 8.820 -9.568 989 HG2 GLU 131 1HG GLU 131 2.178 9.642 -7.941 990 HG3 GLU 131 2HG GLU 131 2.985 11.109 -8.414 991 H SER 132 H SER 132 5.490 6.290 -8.212 992 HA SER 132 HA SER 132 3.114 4.661 -7.587 993 HB2 SER 132 1HB SER 132 3.125 3.637 -9.772 994 HB3 SER 132 2HB SER 132 3.010 5.377 -9.989 995 HG SER 132 HG SER 132 4.698 4.081 -11.263 996 H TYR 133 H TYR 133 3.463 2.412 -7.585 997 HA TYR 133 HA TYR 133 6.170 1.433 -7.083 998 HB2 TYR 133 1HB TYR 133 5.528 1.978 -4.829 999 HB3 TYR 133 2HB TYR 133 3.874 1.493 -5.123 1000 HD1 TYR 133 2HD TYR 133 7.095 -0.402 -5.830 1001 HD2 TYR 133 1HD TYR 133 3.438 -0.110 -3.562 1002 HE1 TYR 133 2HE TYR 133 7.422 -2.732 -4.966 1003 HE2 TYR 133 1HE TYR 133 3.918 -2.314 -2.501 1004 HH TYR 133 HH TYR 133 5.573 -3.909 -2.194 1005 H ASP 134 H ASP 134 6.066 0.080 -8.867 1006 HA ASP 134 HA ASP 134 4.009 -2.029 -8.886 1007 HB2 ASP 134 1HB ASP 134 3.268 0.046 -10.320 1008 HB3 ASP 134 2HB ASP 134 4.559 -0.393 -11.391 1009 H SER 135 H SER 135 4.872 -3.865 -9.753 1010 HA SER 135 HA SER 135 7.690 -4.275 -9.979 1011 HB2 SER 135 1HB SER 135 5.330 -5.840 -9.993 1012 HB3 SER 135 2HB SER 135 6.083 -6.165 -11.563 1013 HG SER 135 HG SER 135 7.963 -6.719 -10.465 1014 H GLU 136 H GLU 136 5.142 -3.607 -12.424 1015 HA GLU 136 HA GLU 136 7.006 -4.046 -14.620 1016 HB2 GLU 136 1HB GLU 136 4.042 -3.451 -14.347 1017 HB3 GLU 136 2HB GLU 136 4.845 -3.620 -15.903 1018 HG2 GLU 136 1HG GLU 136 5.787 -5.874 -14.578 1019 HG3 GLU 136 2HG GLU 136 4.173 -5.698 -13.862 1020 H GLY 137 H GLY 137 7.406 -1.650 -12.851 1021 HA2 GLY 137 2HA GLY 137 6.949 0.649 -14.625 1022 HA3 GLY 137 1HA GLY 137 7.744 0.636 -13.060 1023 HA PRO 138 HA PRO 138 10.989 0.348 -16.649 1024 HB2 PRO 138 1HB PRO 138 11.580 2.992 -17.153 1025 HB3 PRO 138 2HB PRO 138 10.305 2.105 -18.027 1026 HG2 PRO 138 1HG PRO 138 9.982 3.924 -15.621 1027 HG3 PRO 138 2HG PRO 138 9.060 3.932 -17.160 1028 HD2 PRO 138 1HD PRO 138 8.083 2.695 -14.954 1029 HD3 PRO 138 2HD PRO 138 7.884 1.957 -16.580 1030 H HIS 139 H HIS 139 10.495 2.283 -13.831 1031 HA HIS 139 HA HIS 139 13.239 2.722 -13.043 1032 HB2 HIS 139 1HB HIS 139 11.869 3.202 -10.816 1033 HB3 HIS 139 2HB HIS 139 11.899 4.321 -12.155 1034 HD1 HIS 139 1HD HIS 139 9.581 5.156 -13.053 1035 HD2 HIS 139 2HD HIS 139 9.449 1.414 -11.094 1036 HE1 HIS 139 1HE HIS 139 7.153 4.524 -12.834 1037 H GLY 140 H GLY 140 13.918 0.618 -13.465 1038 HA2 GLY 140 2HA GLY 140 12.950 -1.767 -12.275 1039 HA3 GLY 140 1HA GLY 140 14.506 -1.556 -13.085 1040 H LEU 141 H LEU 141 12.765 -1.044 -10.126 1041 HA LEU 141 HA LEU 141 14.828 -1.968 -8.322 1042 HB2 LEU 141 1HB LEU 141 14.608 0.162 -6.917 1043 HB3 LEU 141 2HB LEU 141 15.725 0.223 -8.233 1044 HG LEU 141 HG LEU 141 13.003 1.170 -8.997 1045 HD11 LEU 141 1HD1 LEU 141 12.984 1.787 -6.696 1046 HD12 LEU 141 2HD1 LEU 141 13.092 3.232 -7.732 1047 HD13 LEU 141 3HD1 LEU 141 14.533 2.648 -6.851 1048 HD21 LEU 141 3HD2 LEU 141 15.743 2.474 -9.093 1049 HD22 LEU 141 1HD2 LEU 141 14.281 3.056 -9.923 1050 HD23 LEU 141 2HD2 LEU 141 15.033 1.516 -10.400 1051 H ARG 142 H ARG 142 12.963 -3.456 -8.275 1052 HA ARG 142 HA ARG 142 10.676 -2.404 -6.737 1053 HB2 ARG 142 1HB ARG 142 10.382 -4.048 -9.319 1054 HB3 ARG 142 2HB ARG 142 9.050 -3.513 -8.288 1055 HG2 ARG 142 1HG ARG 142 10.939 -1.674 -9.829 1056 HG3 ARG 142 2HG ARG 142 9.321 -2.110 -10.339 1057 HD2 ARG 142 1HD ARG 142 8.286 -0.764 -8.773 1058 HD3 ARG 142 2HD ARG 142 9.497 -1.053 -7.554 1059 HE ARG 142 HE ARG 142 10.642 0.522 -9.617 1060 HH11 ARG 142 1HH1 ARG 142 8.837 0.501 -6.654 1061 HH12 ARG 142 2HH1 ARG 142 8.616 2.198 -6.452 1062 HH21 ARG 142 1HH2 ARG 142 10.808 2.844 -9.218 1063 HH22 ARG 142 2HH2 ARG 142 9.982 3.567 -7.865 1064 H TYR 143 H TYR 143 9.080 -4.553 -6.324 1065 HA TYR 143 HA TYR 143 10.839 -5.509 -4.296 1066 HB2 TYR 143 1HB TYR 143 8.389 -5.025 -3.949 1067 HB3 TYR 143 2HB TYR 143 8.010 -6.491 -4.816 1068 HD1 TYR 143 1HD TYR 143 10.308 -5.347 -2.069 1069 HD2 TYR 143 2HD TYR 143 7.621 -8.404 -3.506 1070 HE1 TYR 143 1HE TYR 143 10.827 -6.672 -0.088 1071 HE2 TYR 143 2HE TYR 143 8.096 -9.768 -1.507 1072 HH TYR 143 HH TYR 143 10.584 -8.774 0.881 1073 H ASN 144 H ASN 144 12.080 -7.204 -4.242 1074 HA ASN 144 HA ASN 144 11.818 -9.324 -6.323 1075 HB2 ASN 144 1HB ASN 144 14.316 -8.161 -5.012 1076 HB3 ASN 144 2HB ASN 144 14.307 -9.536 -6.057 1077 HD21 ASN 144 1HD2 ASN 144 15.851 -7.297 -6.842 1078 HD22 ASN 144 2HD2 ASN 144 15.071 -6.617 -8.259 1079 HA PRO 145 HA PRO 145 11.682 -11.675 -2.386 1080 HB2 PRO 145 1HB PRO 145 9.529 -13.228 -2.919 1081 HB3 PRO 145 2HB PRO 145 9.389 -11.514 -2.367 1082 HG2 PRO 145 1HG PRO 145 9.244 -12.530 -5.231 1083 HG3 PRO 145 2HG PRO 145 8.059 -11.501 -4.357 1084 HD2 PRO 145 1HD PRO 145 10.044 -10.501 -5.955 1085 HD3 PRO 145 2HD PRO 145 9.485 -9.647 -4.496 1086 H ARG 146 H ARG 146 11.943 -12.249 -5.823 1087 HA ARG 146 HA ARG 146 13.386 -14.774 -5.394 1088 HB2 ARG 146 1HB ARG 146 10.872 -15.197 -5.377 1089 HB3 ARG 146 2HB ARG 146 10.804 -14.595 -7.030 1090 HG2 ARG 146 1HG ARG 146 12.889 -16.664 -6.740 1091 HG3 ARG 146 2HG ARG 146 11.376 -17.191 -6.053 1092 HD2 ARG 146 1HD ARG 146 10.143 -16.823 -8.096 1093 HD3 ARG 146 2HD ARG 146 11.478 -15.928 -8.813 1094 HE ARG 146 HE ARG 146 12.728 -17.870 -9.121 1095 HH11 ARG 146 1HH1 ARG 146 9.290 -18.514 -8.447 1096 HH12 ARG 146 2HH1 ARG 146 9.432 -20.206 -8.850 1097 HH21 ARG 146 1HH2 ARG 146 12.838 -20.039 -9.739 1098 HH22 ARG 146 2HH2 ARG 146 11.433 -21.054 -9.691 1099 H GLU 147 H GLU 147 13.357 -12.038 -6.935 1100 HA GLU 147 HA GLU 147 13.811 -12.760 -9.711 1101 HB2 GLU 147 1HB GLU 147 14.101 -10.255 -8.044 1102 HB3 GLU 147 2HB GLU 147 14.732 -10.261 -9.667 1103 HG2 GLU 147 1HG GLU 147 11.924 -11.033 -8.877 1104 HG3 GLU 147 2HG GLU 147 12.353 -9.448 -9.572 1105 H ASN 148 H ASN 148 15.759 -13.080 -7.090 1106 HA ASN 148 HA ASN 148 18.296 -13.128 -8.699 1107 HB2 ASN 148 1HB ASN 148 17.704 -12.167 -5.871 1108 HB3 ASN 148 2HB ASN 148 19.305 -12.687 -6.317 1109 HD21 ASN 148 1HD2 ASN 148 17.496 -11.052 -8.918 1110 HD22 ASN 148 2HD2 ASN 148 18.264 -9.503 -8.672 1111 H ARG 149 H ARG 149 16.103 -15.187 -7.982 1112 HA ARG 149 HA ARG 149 16.910 -17.079 -6.107 1113 HB2 ARG 149 1HB ARG 149 14.795 -16.928 -7.482 1114 HB3 ARG 149 2HB ARG 149 15.655 -17.638 -8.830 1115 HG2 ARG 149 1HG ARG 149 14.292 -19.255 -7.620 1116 HG3 ARG 149 2HG ARG 149 16.010 -19.699 -7.517 1117 HD2 ARG 149 1HD ARG 149 16.120 -19.263 -5.237 1118 HD3 ARG 149 2HD ARG 149 14.960 -17.936 -5.360 1119 HE ARG 149 HE ARG 149 13.541 -19.357 -4.397 1120 HH11 ARG 149 1HH1 ARG 149 15.558 -21.467 -6.428 1121 HH12 ARG 149 2HH1 ARG 149 14.366 -22.741 -6.489 1122 HH21 ARG 149 1HH2 ARG 149 12.070 -21.183 -4.330 1123 HH22 ARG 149 2HH2 ARG 149 12.650 -22.686 -4.984 Start of MODEL 6 1 H1 MET 1 H MET 1 -17.821 -4.273 8.040 2 HA MET 1 HA MET 1 -16.030 -3.980 6.322 3 HB2 MET 1 1HB MET 1 -18.307 -1.957 6.395 4 HB3 MET 1 2HB MET 1 -17.220 -2.162 5.011 5 HG2 MET 1 1HG MET 1 -19.087 -4.244 6.183 6 HG3 MET 1 2HG MET 1 -19.243 -3.450 4.626 7 HE1 MET 1 3HE MET 1 -19.753 -6.195 4.292 8 HE2 MET 1 1HE MET 1 -18.441 -7.400 4.238 9 HE3 MET 1 2HE MET 1 -18.969 -6.733 5.793 10 H ALA 2 H ALA 2 -14.123 -3.015 6.037 11 HA ALA 2 HA ALA 2 -13.501 -0.354 7.067 12 HB1 ALA 2 1HB ALA 2 -12.865 -1.785 8.971 13 HB2 ALA 2 2HB ALA 2 -11.987 -2.878 7.879 14 HB3 ALA 2 3HB ALA 2 -11.421 -1.208 8.113 15 H HIS 3 H HIS 3 -13.074 0.398 5.026 16 HA HIS 3 HA HIS 3 -11.960 -1.349 2.964 17 HB2 HIS 3 1HB HIS 3 -12.633 1.624 3.007 18 HB3 HIS 3 2HB HIS 3 -12.139 0.724 1.573 19 HD1 HIS 3 1HD HIS 3 -15.077 0.898 4.071 20 HD2 HIS 3 2HD HIS 3 -13.937 -0.980 0.479 21 HE1 HIS 3 1HE HIS 3 -17.165 -0.277 3.169 22 H ILE 4 H ILE 4 -9.864 -1.284 2.131 23 HA ILE 4 HA ILE 4 -7.948 0.573 3.440 24 HB ILE 4 HB ILE 4 -6.273 -1.096 3.549 25 HG12 ILE 4 1HG1 ILE 4 -8.304 -3.228 2.755 26 HG13 ILE 4 2HG1 ILE 4 -7.150 -2.543 1.632 27 HG21 ILE 4 1HG2 ILE 4 -7.044 -2.227 5.505 28 HG22 ILE 4 2HG2 ILE 4 -7.966 -0.720 5.423 29 HG23 ILE 4 3HG2 ILE 4 -8.732 -2.225 4.941 30 HD11 ILE 4 3HD1 ILE 4 -6.430 -4.037 4.167 31 HD12 ILE 4 1HD1 ILE 4 -6.237 -4.589 2.489 32 HD13 ILE 4 2HD1 ILE 4 -5.274 -3.222 3.073 33 H PHE 5 H PHE 5 -5.880 0.736 2.055 34 HA PHE 5 HA PHE 5 -6.606 0.646 -0.840 35 HB2 PHE 5 1HB PHE 5 -6.956 2.859 -0.065 36 HB3 PHE 5 2HB PHE 5 -5.415 2.894 0.753 37 HD1 PHE 5 1HD PHE 5 -7.059 2.933 -2.537 38 HD2 PHE 5 2HD PHE 5 -3.321 3.340 -0.438 39 HE1 PHE 5 1HE PHE 5 -6.091 4.097 -4.495 40 HE2 PHE 5 2HE PHE 5 -2.357 4.478 -2.420 41 HZ PHE 5 HZ PHE 5 -3.770 5.011 -4.360 42 H VAL 6 H VAL 6 -5.138 -0.238 -2.120 43 HA VAL 6 HA VAL 6 -2.693 -1.356 -0.940 44 HB VAL 6 HB VAL 6 -4.354 -2.780 -2.156 45 HG11 VAL 6 1HG1 VAL 6 -3.473 -1.191 -4.588 46 HG12 VAL 6 2HG1 VAL 6 -4.049 -2.850 -4.699 47 HG13 VAL 6 3HG1 VAL 6 -5.101 -1.617 -4.028 48 HG21 VAL 6 3HG2 VAL 6 -2.776 -4.177 -3.142 49 HG22 VAL 6 1HG2 VAL 6 -1.613 -2.874 -3.437 50 HG23 VAL 6 2HG2 VAL 6 -1.970 -3.412 -1.768 51 H TYR 7 H TYR 7 -0.658 -1.182 -2.311 52 HA TYR 7 HA TYR 7 -0.522 1.399 -3.807 53 HB2 TYR 7 1HB TYR 7 1.996 0.123 -2.828 54 HB3 TYR 7 2HB TYR 7 1.513 1.796 -2.887 55 HD1 TYR 7 1HD TYR 7 -0.651 2.283 -1.247 56 HD2 TYR 7 2HD TYR 7 2.196 -0.938 -0.733 57 HE1 TYR 7 1HE TYR 7 -1.306 2.058 1.092 58 HE2 TYR 7 2HE TYR 7 1.657 -1.042 1.661 59 HH TYR 7 HH TYR 7 0.529 0.907 3.415 60 H GLY 8 H GLY 8 1.535 -1.494 -3.781 61 HA2 GLY 8 2HA GLY 8 1.160 -1.850 -6.739 62 HA3 GLY 8 1HA GLY 8 2.692 -2.017 -5.938 63 H THR 9 H THR 9 1.663 -3.321 -3.499 64 HA THR 9 HA THR 9 2.629 -5.753 -4.258 65 HB THR 9 HB THR 9 1.940 -6.149 -1.706 66 HG1 THR 9 1HG THR 9 1.660 -4.049 -0.700 67 HG21 THR 9 3HG2 THR 9 4.224 -5.581 -2.718 68 HG22 THR 9 1HG2 THR 9 3.941 -4.953 -1.082 69 HG23 THR 9 2HG2 THR 9 3.816 -3.870 -2.486 70 H LEU 10 H LEU 10 -0.764 -4.897 -3.747 71 HA LEU 10 HA LEU 10 -1.524 -7.592 -4.785 72 HB2 LEU 10 1HB LEU 10 -3.206 -6.292 -2.642 73 HB3 LEU 10 2HB LEU 10 -3.228 -7.909 -3.282 74 HG LEU 10 HG LEU 10 -0.731 -7.977 -2.209 75 HD11 LEU 10 1HD1 LEU 10 -0.690 -6.771 -0.059 76 HD12 LEU 10 2HD1 LEU 10 -2.272 -6.037 -0.423 77 HD13 LEU 10 3HD1 LEU 10 -0.844 -5.611 -1.375 78 HD21 LEU 10 3HD2 LEU 10 -1.620 -9.000 -0.204 79 HD22 LEU 10 1HD2 LEU 10 -2.488 -9.565 -1.625 80 HD23 LEU 10 2HD2 LEU 10 -3.238 -8.352 -0.547 81 H LYS 11 H LYS 11 -1.045 -5.249 -6.308 82 HA LYS 11 HA LYS 11 -3.771 -4.162 -6.871 83 HB2 LYS 11 1HB LYS 11 -2.151 -2.547 -5.906 84 HB3 LYS 11 2HB LYS 11 -1.072 -2.783 -7.244 85 HG2 LYS 11 1HG LYS 11 -3.909 -2.045 -7.907 86 HG3 LYS 11 2HG LYS 11 -2.920 -0.798 -7.157 87 HD2 LYS 11 1HD LYS 11 -1.731 -2.303 -9.478 88 HD3 LYS 11 2HD LYS 11 -3.024 -1.146 -9.816 89 HE2 LYS 11 1HE LYS 11 -1.767 0.657 -8.809 90 HE3 LYS 11 2HE LYS 11 -0.550 -0.453 -8.181 91 HZ1 LYS 11 3HZ LYS 11 -1.045 0.066 -11.048 92 HZ2 LYS 11 1HZ LYS 11 0.103 -0.940 -10.457 93 HZ3 LYS 11 2HZ LYS 11 0.159 0.713 -10.172 94 H ARG 12 H ARG 12 -1.086 -5.877 -8.326 95 HA ARG 12 HA ARG 12 -2.762 -6.299 -10.684 96 HB2 ARG 12 1HB ARG 12 0.053 -5.135 -10.840 97 HB3 ARG 12 2HB ARG 12 -0.590 -6.126 -12.138 98 HG2 ARG 12 1HG ARG 12 -1.943 -3.565 -11.208 99 HG3 ARG 12 2HG ARG 12 -0.780 -3.693 -12.511 100 HD2 ARG 12 1HD ARG 12 -2.568 -5.725 -13.140 101 HD3 ARG 12 2HD ARG 12 -3.620 -4.497 -12.433 102 HE ARG 12 HE ARG 12 -1.777 -4.358 -14.742 103 HH11 ARG 12 1HH1 ARG 12 -4.291 -2.483 -12.939 104 HH12 ARG 12 2HH1 ARG 12 -4.204 -1.149 -14.052 105 HH21 ARG 12 1HH2 ARG 12 -1.602 -2.606 -15.969 106 HH22 ARG 12 2HH2 ARG 12 -2.726 -1.289 -16.001 107 H GLY 13 H GLY 13 0.761 -7.094 -10.383 108 HA2 GLY 13 2HA GLY 13 -0.152 -9.914 -10.380 109 HA3 GLY 13 1HA GLY 13 1.068 -9.208 -11.453 110 H GLN 14 H GLN 14 1.402 -7.736 -8.539 111 HA GLN 14 HA GLN 14 3.912 -8.526 -8.126 112 HB2 GLN 14 1HB GLN 14 1.877 -7.103 -6.537 113 HB3 GLN 14 2HB GLN 14 3.138 -7.821 -5.551 114 HG2 GLN 14 1HG GLN 14 3.640 -5.523 -6.169 115 HG3 GLN 14 2HG GLN 14 4.857 -6.648 -6.755 116 HE21 GLN 14 1HE2 GLN 14 1.703 -5.298 -8.050 117 HE22 GLN 14 2HE2 GLN 14 2.394 -4.948 -9.638 118 HA PRO 15 HA PRO 15 4.097 -12.548 -6.702 119 HB2 PRO 15 1HB PRO 15 6.022 -12.471 -4.625 120 HB3 PRO 15 2HB PRO 15 6.344 -12.454 -6.386 121 HG2 PRO 15 1HG PRO 15 6.312 -10.268 -4.371 122 HG3 PRO 15 2HG PRO 15 7.302 -10.485 -5.849 123 HD2 PRO 15 1HD PRO 15 5.123 -8.797 -5.567 124 HD3 PRO 15 2HD PRO 15 5.768 -9.341 -7.122 125 H ASN 16 H ASN 16 3.188 -10.209 -4.411 126 HA ASN 16 HA ASN 16 2.674 -11.936 -2.151 127 HB2 ASN 16 1HB ASN 16 1.895 -9.017 -2.499 128 HB3 ASN 16 2HB ASN 16 2.374 -9.885 -1.043 129 HD21 ASN 16 1HD2 ASN 16 3.374 -7.658 -3.236 130 HD22 ASN 16 2HD2 ASN 16 5.121 -7.843 -3.076 131 H HIS 17 H HIS 17 0.828 -10.639 -4.859 132 HA HIS 17 HA HIS 17 -1.533 -9.862 -3.733 133 HB2 HIS 17 1HB HIS 17 -0.783 -9.712 -6.141 134 HB3 HIS 17 2HB HIS 17 -1.291 -11.372 -6.347 135 HD1 HIS 17 1HD HIS 17 -2.691 -8.248 -7.408 136 HD2 HIS 17 2HD HIS 17 -4.104 -11.664 -5.408 137 HE1 HIS 17 1HE HIS 17 -5.173 -8.223 -7.650 138 H LYS 18 H LYS 18 -0.659 -13.223 -4.519 139 HA LYS 18 HA LYS 18 -3.061 -14.533 -4.337 140 HB2 LYS 18 1HB LYS 18 -1.749 -16.522 -3.916 141 HB3 LYS 18 2HB LYS 18 -0.906 -15.480 -5.035 142 HG2 LYS 18 1HG LYS 18 0.838 -16.095 -3.707 143 HG3 LYS 18 2HG LYS 18 0.397 -14.610 -2.890 144 HD2 LYS 18 1HD LYS 18 -0.787 -15.913 -1.143 145 HD3 LYS 18 2HD LYS 18 -0.501 -17.415 -2.048 146 HE2 LYS 18 1HE LYS 18 1.928 -17.036 -1.837 147 HE3 LYS 18 2HE LYS 18 1.661 -15.590 -0.884 148 HZ1 LYS 18 3HZ LYS 18 2.005 -18.004 0.162 149 HZ2 LYS 18 1HZ LYS 18 0.351 -17.967 0.155 150 HZ3 LYS 18 2HZ LYS 18 1.234 -16.805 0.931 151 H VAL 19 H VAL 19 -1.368 -13.110 -1.533 152 HA VAL 19 HA VAL 19 -2.576 -14.824 0.392 153 HB VAL 19 HB VAL 19 -1.985 -13.127 1.995 154 HG11 VAL 19 1HG1 VAL 19 0.409 -13.089 1.704 155 HG12 VAL 19 2HG1 VAL 19 -0.229 -14.643 1.164 156 HG13 VAL 19 3HG1 VAL 19 0.256 -13.411 -0.029 157 HG21 VAL 19 3HG2 VAL 19 -1.379 -11.253 -0.265 158 HG22 VAL 19 1HG2 VAL 19 -2.564 -11.049 1.039 159 HG23 VAL 19 2HG2 VAL 19 -0.849 -11.035 1.412 160 H MET 20 H MET 20 -3.754 -11.826 -1.204 161 HA MET 20 HA MET 20 -6.033 -11.627 0.572 162 HB2 MET 20 1HB MET 20 -6.786 -9.870 -0.804 163 HB3 MET 20 2HB MET 20 -5.064 -9.661 -0.559 164 HG2 MET 20 1HG MET 20 -4.645 -9.726 -2.781 165 HG3 MET 20 2HG MET 20 -5.605 -11.172 -3.026 166 HE1 MET 20 3HE MET 20 -5.594 -7.307 -2.740 167 HE2 MET 20 1HE MET 20 -7.295 -6.908 -3.053 168 HE3 MET 20 2HE MET 20 -6.849 -7.741 -1.548 169 H LEU 21 H LEU 21 -5.344 -13.685 -2.028 170 HA LEU 21 HA LEU 21 -8.091 -13.920 -3.062 171 HB2 LEU 21 1HB LEU 21 -5.623 -15.629 -3.592 172 HB3 LEU 21 2HB LEU 21 -7.118 -15.630 -4.493 173 HG LEU 21 HG LEU 21 -5.112 -13.375 -4.415 174 HD11 LEU 21 1HD1 LEU 21 -4.534 -15.441 -5.752 175 HD12 LEU 21 2HD1 LEU 21 -4.698 -13.959 -6.703 176 HD13 LEU 21 3HD1 LEU 21 -6.001 -15.167 -6.709 177 HD21 LEU 21 3HD2 LEU 21 -6.565 -12.413 -6.279 178 HD22 LEU 21 1HD2 LEU 21 -7.247 -12.311 -4.665 179 HD23 LEU 21 2HD2 LEU 21 -7.828 -13.560 -5.791 180 H ASP 22 H ASP 22 -6.282 -15.103 -0.371 181 HA ASP 22 HA ASP 22 -7.580 -17.762 -0.310 182 HB2 ASP 22 1HB ASP 22 -5.645 -16.399 1.567 183 HB3 ASP 22 2HB ASP 22 -6.275 -18.025 1.776 184 H HIS 23 H HIS 23 -9.725 -17.281 -0.008 185 HA HIS 23 HA HIS 23 -10.723 -15.200 1.663 186 HB2 HIS 23 1HB HIS 23 -11.921 -16.253 -0.208 187 HB3 HIS 23 2HB HIS 23 -12.057 -17.743 0.714 188 HD1 HIS 23 1HD HIS 23 -14.575 -17.904 1.325 189 HD2 HIS 23 2HD HIS 23 -12.923 -14.054 1.788 190 HE1 HIS 23 1HE HIS 23 -16.488 -16.372 2.056 191 H SER 24 H SER 24 -9.347 -18.243 2.575 192 HA SER 24 HA SER 24 -10.564 -18.429 5.218 193 HB2 SER 24 1HB SER 24 -8.099 -19.554 4.084 194 HB3 SER 24 2HB SER 24 -8.708 -19.939 5.701 195 HG SER 24 HG SER 24 -10.625 -20.685 4.728 196 H HIS 25 H HIS 25 -7.933 -16.538 3.779 197 HA HIS 25 HA HIS 25 -6.929 -15.642 6.397 198 HB2 HIS 25 1HB HIS 25 -6.169 -14.892 3.544 199 HB3 HIS 25 2HB HIS 25 -5.372 -14.372 5.004 200 HD1 HIS 25 1HD HIS 25 -3.955 -16.159 2.674 201 HD2 HIS 25 2HD HIS 25 -5.561 -17.501 6.305 202 HE1 HIS 25 1HE HIS 25 -2.842 -18.375 3.158 203 H GLY 26 H GLY 26 -9.642 -15.059 4.550 204 HA2 GLY 26 2HA GLY 26 -11.219 -13.555 5.636 205 HA3 GLY 26 1HA GLY 26 -9.934 -12.337 5.713 206 H LEU 27 H LEU 27 -12.030 -11.396 4.634 207 HA LEU 27 HA LEU 27 -12.353 -12.003 1.813 208 HB2 LEU 27 1HB LEU 27 -14.172 -11.472 3.457 209 HB3 LEU 27 2HB LEU 27 -13.514 -9.838 3.572 210 HG LEU 27 HG LEU 27 -14.034 -9.441 1.173 211 HD11 LEU 27 1HD1 LEU 27 -13.915 -11.751 0.307 212 HD12 LEU 27 2HD1 LEU 27 -15.538 -11.098 0.034 213 HD13 LEU 27 3HD1 LEU 27 -15.257 -12.233 1.372 214 HD21 LEU 27 3HD2 LEU 27 -15.604 -8.778 2.872 215 HD22 LEU 27 1HD2 LEU 27 -16.183 -10.443 3.062 216 HD23 LEU 27 2HD2 LEU 27 -16.542 -9.548 1.581 217 H ALA 28 H ALA 28 -11.699 -10.754 0.070 218 HA ALA 28 HA ALA 28 -11.160 -7.915 0.480 219 HB1 ALA 28 1HB ALA 28 -8.894 -8.846 0.568 220 HB2 ALA 28 2HB ALA 28 -9.170 -9.701 -0.969 221 HB3 ALA 28 3HB ALA 28 -9.161 -7.922 -0.945 222 H ALA 29 H ALA 29 -12.561 -6.955 -1.004 223 HA ALA 29 HA ALA 29 -12.617 -8.103 -3.745 224 HB1 ALA 29 1HB ALA 29 -15.000 -7.733 -3.982 225 HB2 ALA 29 2HB ALA 29 -14.694 -8.875 -2.658 226 HB3 ALA 29 3HB ALA 29 -15.103 -7.155 -2.315 227 H PHE 30 H PHE 30 -13.061 -6.638 -5.318 228 HA PHE 30 HA PHE 30 -11.816 -4.067 -5.060 229 HB2 PHE 30 1HB PHE 30 -11.633 -5.509 -7.025 230 HB3 PHE 30 2HB PHE 30 -13.374 -5.469 -7.256 231 HD1 PHE 30 1HD PHE 30 -10.391 -3.153 -7.190 232 HD2 PHE 30 2HD PHE 30 -14.332 -3.987 -8.782 233 HE1 PHE 30 1HE PHE 30 -10.101 -1.416 -8.935 234 HE2 PHE 30 2HE PHE 30 -13.932 -2.383 -10.587 235 HZ PHE 30 HZ PHE 30 -11.861 -1.056 -10.664 236 H ARG 31 H ARG 31 -12.777 -2.446 -4.038 237 HA ARG 31 HA ARG 31 -15.640 -1.783 -4.582 238 HB2 ARG 31 1HB ARG 31 -15.062 -2.652 -2.231 239 HB3 ARG 31 2HB ARG 31 -14.056 -1.227 -2.037 240 HG2 ARG 31 1HG ARG 31 -15.988 -0.560 -0.993 241 HG3 ARG 31 2HG ARG 31 -16.252 0.111 -2.582 242 HD2 ARG 31 1HD ARG 31 -18.282 -0.807 -2.282 243 HD3 ARG 31 2HD ARG 31 -17.465 -2.196 -3.019 244 HE ARG 31 HE ARG 31 -17.346 -3.289 -0.978 245 HH11 ARG 31 1HH1 ARG 31 -19.337 -0.294 -0.596 246 HH12 ARG 31 2HH1 ARG 31 -20.274 -0.947 0.675 247 HH21 ARG 31 1HH2 ARG 31 -18.650 -4.103 0.632 248 HH22 ARG 31 2HH2 ARG 31 -20.013 -3.214 1.261 249 H GLY 32 H GLY 32 -13.493 -1.049 -6.274 250 HA2 GLY 32 2HA GLY 32 -13.857 0.970 -7.507 251 HA3 GLY 32 1HA GLY 32 -13.812 1.890 -5.995 252 H ARG 33 H ARG 33 -12.397 2.936 -7.758 253 HA ARG 33 HA ARG 33 -9.545 1.983 -7.502 254 HB2 ARG 33 1HB ARG 33 -10.980 3.472 -9.707 255 HB3 ARG 33 2HB ARG 33 -9.214 3.470 -9.569 256 HG2 ARG 33 1HG ARG 33 -9.104 1.044 -9.730 257 HG3 ARG 33 2HG ARG 33 -10.864 0.910 -9.612 258 HD2 ARG 33 1HD ARG 33 -10.204 0.596 -11.909 259 HD3 ARG 33 2HD ARG 33 -11.133 2.095 -11.716 260 HE ARG 33 HE ARG 33 -8.490 2.894 -11.482 261 HH11 ARG 33 1HH1 ARG 33 -10.381 1.266 -14.027 262 HH12 ARG 33 2HH1 ARG 33 -9.562 2.137 -15.293 263 HH21 ARG 33 1HH2 ARG 33 -7.486 3.993 -13.157 264 HH22 ARG 33 2HH2 ARG 33 -7.816 3.631 -14.807 265 H GLY 34 H GLY 34 -7.905 3.724 -7.144 266 HA2 GLY 34 2HA GLY 34 -8.876 6.354 -6.543 267 HA3 GLY 34 1HA GLY 34 -8.525 5.451 -5.058 268 H CYS 35 H CYS 35 -7.270 7.738 -5.369 269 HA CYS 35 HA CYS 35 -4.500 6.876 -5.740 270 HB2 CYS 35 1HB CYS 35 -3.920 8.760 -7.107 271 HB3 CYS 35 2HB CYS 35 -5.115 7.821 -7.954 272 HG CYS 35 HG CYS 35 -7.041 9.525 -7.756 273 H THR 36 H THR 36 -3.176 7.835 -4.138 274 HA THR 36 HA THR 36 -4.576 9.151 -1.925 275 HB THR 36 HB THR 36 -2.275 9.419 -0.981 276 HG1 THR 36 1HG THR 36 -1.590 7.664 -3.112 277 HG21 THR 36 3HG2 THR 36 -3.747 7.607 -0.278 278 HG22 THR 36 1HG2 THR 36 -2.091 6.993 -0.390 279 HG23 THR 36 2HG2 THR 36 -3.279 6.639 -1.685 280 H VAL 37 H VAL 37 -5.245 11.080 -2.331 281 HA VAL 37 HA VAL 37 -3.893 12.755 -4.355 282 HB VAL 37 HB VAL 37 -5.653 14.459 -3.367 283 HG11 VAL 37 1HG1 VAL 37 -5.482 13.683 -5.672 284 HG12 VAL 37 2HG1 VAL 37 -6.259 12.149 -5.253 285 HG13 VAL 37 3HG1 VAL 37 -7.163 13.698 -5.167 286 HG21 VAL 37 3HG2 VAL 37 -6.487 13.117 -1.559 287 HG22 VAL 37 1HG2 VAL 37 -7.786 13.363 -2.719 288 HG23 VAL 37 2HG2 VAL 37 -6.958 11.814 -2.669 289 H GLU 38 H GLU 38 -3.698 12.403 -1.000 290 HA GLU 38 HA GLU 38 -1.988 14.754 -0.567 291 HB2 GLU 38 1HB GLU 38 -2.833 12.345 1.017 292 HB3 GLU 38 2HB GLU 38 -1.217 13.015 1.357 293 HG2 GLU 38 1HG GLU 38 -2.084 15.186 1.777 294 HG3 GLU 38 2HG GLU 38 -3.627 14.821 1.044 295 H SER 39 H SER 39 -0.242 14.979 -1.706 296 HA SER 39 HA SER 39 1.379 12.998 -2.880 297 HB2 SER 39 1HB SER 39 2.931 15.149 -1.661 298 HB3 SER 39 2HB SER 39 2.652 14.810 -3.345 299 HG SER 39 HG SER 39 1.850 16.801 -2.990 300 H PHE 40 H PHE 40 2.814 11.468 -1.871 301 HA PHE 40 HA PHE 40 3.400 12.010 0.995 302 HB2 PHE 40 1HB PHE 40 2.381 9.430 -0.327 303 HB3 PHE 40 2HB PHE 40 3.273 9.456 1.156 304 HD1 PHE 40 1HD PHE 40 2.377 10.794 3.199 305 HD2 PHE 40 2HD PHE 40 0.009 9.612 -0.181 306 HE1 PHE 40 1HE PHE 40 0.297 10.989 4.584 307 HE2 PHE 40 2HE PHE 40 -2.048 9.785 1.186 308 HZ PHE 40 HZ PHE 40 -1.929 10.464 3.542 309 HA PRO 41 HA PRO 41 7.489 10.475 -0.303 310 HB2 PRO 41 1HB PRO 41 8.464 9.599 2.116 311 HB3 PRO 41 2HB PRO 41 8.377 11.308 1.703 312 HG2 PRO 41 1HG PRO 41 6.351 9.682 3.191 313 HG3 PRO 41 2HG PRO 41 7.065 11.249 3.695 314 HD2 PRO 41 1HD PRO 41 4.617 10.948 2.558 315 HD3 PRO 41 2HD PRO 41 5.658 12.336 2.127 316 H LEU 42 H LEU 42 6.502 8.742 -1.553 317 HA LEU 42 HA LEU 42 6.831 6.119 -0.169 318 HB2 LEU 42 1HB LEU 42 4.963 6.293 -1.818 319 HB3 LEU 42 2HB LEU 42 6.144 6.703 -3.055 320 HG LEU 42 HG LEU 42 7.284 4.479 -2.646 321 HD11 LEU 42 1HD1 LEU 42 5.743 2.816 -1.331 322 HD12 LEU 42 2HD1 LEU 42 5.040 4.257 -0.607 323 HD13 LEU 42 3HD1 LEU 42 6.776 3.917 -0.412 324 HD21 LEU 42 3HD2 LEU 42 5.544 4.674 -4.420 325 HD22 LEU 42 1HD2 LEU 42 4.324 4.160 -3.222 326 HD23 LEU 42 2HD2 LEU 42 5.623 3.066 -3.692 327 H VAL 43 H VAL 43 8.943 5.751 0.191 328 HA VAL 43 HA VAL 43 10.964 6.425 -1.910 329 HB VAL 43 HB VAL 43 12.657 6.121 -0.146 330 HG11 VAL 43 1HG1 VAL 43 10.545 8.157 0.628 331 HG12 VAL 43 2HG1 VAL 43 12.264 8.212 1.068 332 HG13 VAL 43 3HG1 VAL 43 11.788 8.380 -0.630 333 HG21 VAL 43 3HG2 VAL 43 10.331 5.925 1.832 334 HG22 VAL 43 1HG2 VAL 43 11.446 4.613 1.410 335 HG23 VAL 43 2HG2 VAL 43 12.054 6.047 2.236 336 H ILE 44 H ILE 44 12.664 4.603 -2.086 337 HA ILE 44 HA ILE 44 11.531 1.910 -1.540 338 HB ILE 44 HB ILE 44 13.240 2.774 -3.863 339 HG12 ILE 44 1HG1 ILE 44 10.424 2.887 -3.608 340 HG13 ILE 44 2HG1 ILE 44 11.378 3.034 -5.037 341 HG21 ILE 44 1HG2 ILE 44 12.306 -0.010 -3.046 342 HG22 ILE 44 2HG2 ILE 44 13.122 0.395 -4.580 343 HG23 ILE 44 3HG2 ILE 44 13.980 0.591 -3.065 344 HD11 ILE 44 3HD1 ILE 44 10.179 0.426 -4.030 345 HD12 ILE 44 1HD1 ILE 44 9.547 1.450 -5.334 346 HD13 ILE 44 2HD1 ILE 44 11.090 0.640 -5.523 347 H ALA 45 H ALA 45 12.794 0.683 -0.130 348 HA ALA 45 HA ALA 45 15.591 1.461 0.268 349 HB1 ALA 45 1HB ALA 45 15.313 1.738 2.643 350 HB2 ALA 45 2HB ALA 45 14.168 2.820 1.851 351 HB3 ALA 45 3HB ALA 45 13.604 1.287 2.568 352 H GLY 46 H GLY 46 16.144 -0.052 2.420 353 HA2 GLY 46 2HA GLY 46 16.711 -2.061 3.169 354 HA3 GLY 46 1HA GLY 46 15.223 -2.727 2.443 355 H GLU 47 H GLU 47 16.521 -4.642 1.985 356 HA GLU 47 HA GLU 47 18.579 -4.469 -0.128 357 HB2 GLU 47 1HB GLU 47 17.827 -6.358 2.077 358 HB3 GLU 47 2HB GLU 47 18.408 -7.111 0.613 359 HG2 GLU 47 1HG GLU 47 20.318 -6.912 1.835 360 HG3 GLU 47 2HG GLU 47 20.442 -5.567 0.710 361 H HIS 48 H HIS 48 15.256 -4.972 -0.173 362 HA HIS 48 HA HIS 48 15.482 -6.741 -2.536 363 HB2 HIS 48 1HB HIS 48 13.691 -6.872 -0.109 364 HB3 HIS 48 2HB HIS 48 13.166 -7.582 -1.614 365 HD1 HIS 48 1HD HIS 48 14.942 -9.553 -2.672 366 HD2 HIS 48 2HD HIS 48 14.994 -8.490 1.427 367 HE1 HIS 48 1HE HIS 48 15.859 -11.563 -1.398 368 H ASN 49 H ASN 49 15.167 -3.721 -2.290 369 HA ASN 49 HA ASN 49 13.965 -1.989 -2.955 370 HB2 ASN 49 1HB ASN 49 12.812 -3.969 -4.926 371 HB3 ASN 49 2HB ASN 49 12.633 -2.219 -5.036 372 HD21 ASN 49 1HD2 ASN 49 13.549 -3.279 -7.208 373 HD22 ASN 49 2HD2 ASN 49 15.287 -3.081 -7.426 374 H ILE 50 H ILE 50 13.010 -2.307 -0.745 375 HA ILE 50 HA ILE 50 10.174 -3.118 -0.676 376 HB ILE 50 HB ILE 50 12.071 -2.852 1.705 377 HG12 ILE 50 1HG1 ILE 50 10.872 -5.309 0.317 378 HG13 ILE 50 2HG1 ILE 50 12.548 -4.807 0.115 379 HG21 ILE 50 1HG2 ILE 50 9.212 -3.921 1.482 380 HG22 ILE 50 2HG2 ILE 50 10.196 -3.799 2.956 381 HG23 ILE 50 3HG2 ILE 50 9.654 -2.340 2.166 382 HD11 ILE 50 3HD1 ILE 50 12.957 -5.111 2.532 383 HD12 ILE 50 1HD1 ILE 50 11.286 -5.692 2.730 384 HD13 ILE 50 2HD1 ILE 50 12.414 -6.605 1.729 385 HA PRO 51 HA PRO 51 10.114 1.407 -0.388 386 HB2 PRO 51 1HB PRO 51 7.660 1.901 -1.441 387 HB3 PRO 51 2HB PRO 51 9.044 1.567 -2.492 388 HG2 PRO 51 1HG PRO 51 6.939 -0.368 -1.521 389 HG3 PRO 51 2HG PRO 51 7.531 -0.112 -3.185 390 HD2 PRO 51 1HD PRO 51 8.477 -2.105 -1.536 391 HD3 PRO 51 2HD PRO 51 9.536 -1.271 -2.725 392 H TRP 52 H TRP 52 9.102 2.759 0.930 393 HA TRP 52 HA TRP 52 7.216 1.601 2.915 394 HB2 TRP 52 1HB TRP 52 9.639 3.351 3.504 395 HB3 TRP 52 2HB TRP 52 8.430 2.809 4.660 396 HD1 TRP 52 HD TRP 52 11.330 1.504 2.533 397 HE1 TRP 52 1HE TRP 52 12.205 -0.697 3.532 398 HE3 TRP 52 3HE TRP 52 7.795 0.771 6.169 399 HZ2 TRP 52 2HZ TRP 52 11.354 -2.618 5.421 400 HZ3 TRP 52 3HZ TRP 52 7.888 -1.232 7.585 401 HH2 TRP 52 HH TRP 52 9.709 -2.943 7.251 402 H LEU 53 H LEU 53 5.408 2.759 2.720 403 HA LEU 53 HA LEU 53 5.414 5.557 1.885 404 HB2 LEU 53 1HB LEU 53 3.497 3.509 1.993 405 HB3 LEU 53 2HB LEU 53 3.117 4.420 3.429 406 HG LEU 53 HG LEU 53 3.026 5.293 0.520 407 HD11 LEU 53 1HD1 LEU 53 0.715 5.883 1.209 408 HD12 LEU 53 2HD1 LEU 53 1.122 5.522 2.883 409 HD13 LEU 53 3HD1 LEU 53 1.081 4.202 1.696 410 HD21 LEU 53 3HD2 LEU 53 4.088 7.204 1.378 411 HD22 LEU 53 1HD2 LEU 53 3.067 7.210 2.855 412 HD23 LEU 53 2HD2 LEU 53 2.362 7.517 1.254 413 H LEU 54 H LEU 54 6.461 6.874 3.094 414 HA LEU 54 HA LEU 54 6.529 6.600 6.044 415 HB2 LEU 54 1HB LEU 54 7.590 8.971 4.583 416 HB3 LEU 54 2HB LEU 54 8.138 8.284 6.062 417 HG LEU 54 HG LEU 54 8.687 7.328 3.226 418 HD11 LEU 54 1HD1 LEU 54 9.929 9.334 4.013 419 HD12 LEU 54 2HD1 LEU 54 10.992 7.946 3.733 420 HD13 LEU 54 3HD1 LEU 54 10.546 8.404 5.389 421 HD21 LEU 54 3HD2 LEU 54 10.245 5.669 4.321 422 HD22 LEU 54 1HD2 LEU 54 8.526 5.318 4.543 423 HD23 LEU 54 2HD2 LEU 54 9.437 6.047 5.862 424 H TYR 55 H TYR 55 5.313 8.155 7.386 425 HA TYR 55 HA TYR 55 2.925 9.044 5.959 426 HB2 TYR 55 1HB TYR 55 2.888 7.787 8.096 427 HB3 TYR 55 2HB TYR 55 3.562 9.182 8.918 428 HD1 TYR 55 2HD TYR 55 0.786 8.596 6.386 429 HD2 TYR 55 1HD TYR 55 1.945 10.369 10.150 430 HE1 TYR 55 2HE TYR 55 -1.532 9.388 6.721 431 HE2 TYR 55 1HE TYR 55 -0.371 11.181 10.471 432 HH TYR 55 HH TYR 55 -2.940 10.724 8.085 433 H LEU 56 H LEU 56 3.754 10.810 4.655 434 HA LEU 56 HA LEU 56 3.689 13.307 6.194 435 HB2 LEU 56 1HB LEU 56 6.152 12.474 5.263 436 HB3 LEU 56 2HB LEU 56 5.692 13.574 4.034 437 HG LEU 56 HG LEU 56 4.959 14.886 6.482 438 HD11 LEU 56 1HD1 LEU 56 7.820 13.886 6.574 439 HD12 LEU 56 2HD1 LEU 56 6.485 13.187 7.547 440 HD13 LEU 56 3HD1 LEU 56 6.939 14.886 7.753 441 HD21 LEU 56 3HD2 LEU 56 5.661 16.107 4.578 442 HD22 LEU 56 1HD2 LEU 56 7.276 15.333 4.579 443 HD23 LEU 56 2HD2 LEU 56 6.799 16.440 5.882 444 HA PRO 57 HA PRO 57 0.850 13.707 2.527 445 HB2 PRO 57 1HB PRO 57 -0.817 15.491 3.618 446 HB3 PRO 57 2HB PRO 57 -0.882 13.745 4.016 447 HG2 PRO 57 1HG PRO 57 0.546 15.919 5.575 448 HG3 PRO 57 2HG PRO 57 -0.711 14.788 6.154 449 HD2 PRO 57 1HD PRO 57 1.914 14.255 6.464 450 HD3 PRO 57 2HD PRO 57 0.816 12.920 5.988 451 H GLY 58 H GLY 58 1.049 15.303 1.008 452 HA2 GLY 58 2HA GLY 58 1.299 17.493 0.107 453 HA3 GLY 58 1HA GLY 58 1.769 18.077 1.692 454 H LYS 59 H LYS 59 3.799 15.380 1.307 455 HA LYS 59 HA LYS 59 5.823 16.953 -0.191 456 HB2 LYS 59 1HB LYS 59 5.542 16.774 2.520 457 HB3 LYS 59 2HB LYS 59 6.530 15.365 2.277 458 HG2 LYS 59 1HG LYS 59 7.155 18.110 1.142 459 HG3 LYS 59 2HG LYS 59 7.521 17.704 2.820 460 HD2 LYS 59 1HD LYS 59 8.691 16.001 0.614 461 HD3 LYS 59 2HD LYS 59 9.431 17.539 1.071 462 HE2 LYS 59 1HE LYS 59 9.425 16.797 3.484 463 HE3 LYS 59 2HE LYS 59 8.809 15.230 2.959 464 HZ1 LYS 59 3HZ LYS 59 11.464 16.348 2.261 465 HZ2 LYS 59 1HZ LYS 59 10.863 14.884 1.748 466 HZ3 LYS 59 2HZ LYS 59 11.105 15.131 3.321 467 H GLY 60 H GLY 60 6.854 15.677 -1.746 468 HA2 GLY 60 2HA GLY 60 7.511 13.628 -2.737 469 HA3 GLY 60 1HA GLY 60 6.394 12.723 -1.706 470 H HIS 61 H HIS 61 4.971 11.770 -3.288 471 HA HIS 61 HA HIS 61 3.503 13.646 -5.029 472 HB2 HIS 61 1HB HIS 61 4.624 11.120 -6.238 473 HB3 HIS 61 2HB HIS 61 3.810 12.489 -7.000 474 HD1 HIS 61 1HD HIS 61 5.305 14.405 -7.925 475 HD2 HIS 61 2HD HIS 61 7.249 11.407 -5.689 476 HE1 HIS 61 1HE HIS 61 7.793 14.619 -8.430 477 H CYS 62 H CYS 62 1.722 12.404 -6.219 478 HA CYS 62 HA CYS 62 0.151 11.081 -4.253 479 HB2 CYS 62 1HB CYS 62 -0.498 11.291 -7.219 480 HB3 CYS 62 2HB CYS 62 -1.580 11.303 -5.887 481 HG CYS 62 HG CYS 62 -1.594 13.617 -7.062 482 H VAL 63 H VAL 63 0.389 9.049 -3.618 483 HA VAL 63 HA VAL 63 1.549 7.122 -5.430 484 HB VAL 63 HB VAL 63 0.407 6.681 -2.660 485 HG11 VAL 63 1HG1 VAL 63 1.000 4.638 -3.842 486 HG12 VAL 63 2HG1 VAL 63 2.611 5.295 -4.229 487 HG13 VAL 63 3HG1 VAL 63 2.176 4.930 -2.544 488 HG21 VAL 63 3HG2 VAL 63 3.090 7.912 -3.249 489 HG22 VAL 63 1HG2 VAL 63 1.783 8.509 -2.246 490 HG23 VAL 63 2HG2 VAL 63 2.686 7.091 -1.720 491 H THR 64 H THR 64 0.169 6.491 -7.061 492 HA THR 64 HA THR 64 -2.674 6.302 -6.638 493 HB THR 64 HB THR 64 -2.912 5.578 -8.858 494 HG1 THR 64 1HG THR 64 -0.090 5.286 -9.153 495 HG21 THR 64 3HG2 THR 64 -1.744 7.244 -10.136 496 HG22 THR 64 1HG2 THR 64 -0.551 7.513 -8.848 497 HG23 THR 64 2HG2 THR 64 -2.251 7.947 -8.594 498 H GLY 65 H GLY 65 -4.051 4.142 -6.986 499 HA2 GLY 65 2HA GLY 65 -2.829 1.627 -6.545 500 HA3 GLY 65 1HA GLY 65 -3.246 2.364 -4.992 501 H GLU 66 H GLU 66 -4.798 0.522 -4.742 502 HA GLU 66 HA GLU 66 -7.377 1.095 -6.097 503 HB2 GLU 66 1HB GLU 66 -5.670 -1.024 -6.853 504 HB3 GLU 66 2HB GLU 66 -6.889 -1.790 -5.838 505 HG2 GLU 66 1HG GLU 66 -8.677 -1.030 -7.232 506 HG3 GLU 66 2HG GLU 66 -7.642 0.142 -8.055 507 H ILE 67 H ILE 67 -9.316 0.014 -5.015 508 HA ILE 67 HA ILE 67 -8.802 -0.027 -2.087 509 HB ILE 67 HB ILE 67 -11.156 1.108 -3.631 510 HG12 ILE 67 1HG1 ILE 67 -9.061 2.255 -1.724 511 HG13 ILE 67 2HG1 ILE 67 -9.060 2.461 -3.488 512 HG21 ILE 67 1HG2 ILE 67 -12.101 1.631 -1.403 513 HG22 ILE 67 2HG2 ILE 67 -11.972 -0.090 -1.609 514 HG23 ILE 67 3HG2 ILE 67 -10.757 0.776 -0.609 515 HD11 ILE 67 3HD1 ILE 67 -11.121 3.779 -3.387 516 HD12 ILE 67 1HD1 ILE 67 -11.151 3.609 -1.628 517 HD13 ILE 67 2HD1 ILE 67 -9.760 4.437 -2.396 518 H TYR 68 H TYR 68 -9.212 -1.777 -1.080 519 HA TYR 68 HA TYR 68 -11.081 -3.716 -2.251 520 HB2 TYR 68 1HB TYR 68 -8.596 -4.270 -0.605 521 HB3 TYR 68 2HB TYR 68 -9.785 -5.479 -1.092 522 HD1 TYR 68 2HD TYR 68 -10.342 -5.647 -3.621 523 HD2 TYR 68 1HD TYR 68 -6.656 -3.943 -2.140 524 HE1 TYR 68 2HE TYR 68 -9.439 -5.583 -5.941 525 HE2 TYR 68 1HE TYR 68 -5.757 -4.011 -4.395 526 HH TYR 68 HH TYR 68 -7.606 -4.324 -7.306 527 H GLU 69 H GLU 69 -12.868 -3.848 -1.166 528 HA GLU 69 HA GLU 69 -13.391 -3.089 1.605 529 HB2 GLU 69 1HB GLU 69 -15.223 -3.296 -0.048 530 HB3 GLU 69 2HB GLU 69 -14.683 -4.932 -0.452 531 HG2 GLU 69 1HG GLU 69 -15.150 -5.364 2.148 532 HG3 GLU 69 2HG GLU 69 -16.188 -3.952 1.953 533 H VAL 70 H VAL 70 -12.187 -4.187 3.183 534 HA VAL 70 HA VAL 70 -11.752 -7.075 2.694 535 HB VAL 70 HB VAL 70 -9.809 -6.935 4.150 536 HG11 VAL 70 1HG1 VAL 70 -8.259 -5.952 2.560 537 HG12 VAL 70 2HG1 VAL 70 -9.546 -6.809 1.699 538 HG13 VAL 70 3HG1 VAL 70 -9.574 -5.041 1.789 539 HG21 VAL 70 3HG2 VAL 70 -10.082 -3.927 4.040 540 HG22 VAL 70 1HG2 VAL 70 -10.344 -4.938 5.474 541 HG23 VAL 70 2HG2 VAL 70 -8.733 -4.847 4.746 542 H ASP 71 H ASP 71 -11.924 -8.418 4.649 543 HA ASP 71 HA ASP 71 -13.961 -7.287 6.527 544 HB2 ASP 71 1HB ASP 71 -13.260 -10.043 5.747 545 HB3 ASP 71 2HB ASP 71 -13.410 -9.846 7.464 546 H GLU 72 H GLU 72 -13.612 -8.095 8.714 547 HA GLU 72 HA GLU 72 -11.379 -6.893 10.066 548 HB2 GLU 72 1HB GLU 72 -13.769 -8.478 10.721 549 HB3 GLU 72 2HB GLU 72 -12.430 -8.867 11.777 550 HG2 GLU 72 1HG GLU 72 -12.877 -5.981 11.252 551 HG3 GLU 72 2HG GLU 72 -14.239 -6.759 12.050 552 H GLN 73 H GLN 73 -12.105 -10.331 9.268 553 HA GLN 73 HA GLN 73 -9.765 -11.401 10.382 554 HB2 GLN 73 1HB GLN 73 -11.643 -12.785 9.731 555 HB3 GLN 73 2HB GLN 73 -11.437 -12.332 8.043 556 HG2 GLN 73 1HG GLN 73 -10.610 -14.609 8.511 557 HG3 GLN 73 2HG GLN 73 -9.377 -13.554 7.881 558 HE21 GLN 73 1HE2 GLN 73 -10.413 -13.640 11.343 559 HE22 GLN 73 2HE2 GLN 73 -8.701 -13.747 11.794 560 H MET 74 H MET 74 -10.190 -9.844 7.190 561 HA MET 74 HA MET 74 -7.541 -10.687 6.268 562 HB2 MET 74 1HB MET 74 -9.342 -10.326 4.663 563 HB3 MET 74 2HB MET 74 -9.603 -8.720 5.242 564 HG2 MET 74 1HG MET 74 -8.422 -8.613 3.156 565 HG3 MET 74 2HG MET 74 -7.362 -8.038 4.431 566 HE1 MET 74 3HE MET 74 -8.208 -10.943 1.956 567 HE2 MET 74 1HE MET 74 -6.998 -12.188 2.405 568 HE3 MET 74 2HE MET 74 -8.255 -11.742 3.554 569 H LEU 75 H LEU 75 -9.011 -7.628 7.460 570 HA LEU 75 HA LEU 75 -6.525 -6.189 7.502 571 HB2 LEU 75 1HB LEU 75 -9.198 -5.623 8.159 572 HB3 LEU 75 2HB LEU 75 -8.348 -5.339 9.657 573 HG LEU 75 HG LEU 75 -7.656 -4.077 6.966 574 HD11 LEU 75 1HD1 LEU 75 -8.835 -2.870 9.503 575 HD12 LEU 75 2HD1 LEU 75 -9.690 -3.155 7.967 576 HD13 LEU 75 3HD1 LEU 75 -8.378 -1.967 8.040 577 HD21 LEU 75 3HD2 LEU 75 -6.099 -2.599 8.196 578 HD22 LEU 75 1HD2 LEU 75 -5.588 -4.276 8.295 579 HD23 LEU 75 2HD2 LEU 75 -6.388 -3.532 9.692 580 H ARG 76 H ARG 76 -7.605 -8.644 9.561 581 HA ARG 76 HA ARG 76 -5.547 -8.158 11.676 582 HB2 ARG 76 1HB ARG 76 -7.599 -10.358 11.171 583 HB3 ARG 76 2HB ARG 76 -6.374 -10.468 12.435 584 HG2 ARG 76 1HG ARG 76 -7.208 -8.414 13.477 585 HG3 ARG 76 2HG ARG 76 -8.438 -8.216 12.213 586 HD2 ARG 76 1HD ARG 76 -9.425 -10.398 12.809 587 HD3 ARG 76 2HD ARG 76 -8.264 -10.584 14.128 588 HE ARG 76 HE ARG 76 -10.547 -8.734 13.931 589 HH11 ARG 76 1HH1 ARG 76 -7.510 -9.294 15.735 590 HH12 ARG 76 2HH1 ARG 76 -7.931 -8.180 16.988 591 HH21 ARG 76 1HH2 ARG 76 -11.047 -7.327 15.384 592 HH22 ARG 76 2HH2 ARG 76 -10.107 -6.960 16.802 593 H PHE 77 H PHE 77 -6.174 -10.777 9.263 594 HA PHE 77 HA PHE 77 -3.752 -12.100 9.526 595 HB2 PHE 77 1HB PHE 77 -5.557 -13.043 8.253 596 HB3 PHE 77 2HB PHE 77 -5.666 -11.629 7.229 597 HD1 PHE 77 2HD PHE 77 -3.508 -14.598 7.946 598 HD2 PHE 77 1HD PHE 77 -4.292 -11.258 5.342 599 HE1 PHE 77 2HE PHE 77 -2.054 -15.610 6.207 600 HE2 PHE 77 1HE PHE 77 -2.828 -12.207 3.647 601 HZ PHE 77 HZ PHE 77 -1.706 -14.438 4.038 602 H LEU 78 H LEU 78 -4.455 -9.309 7.370 603 HA LEU 78 HA LEU 78 -1.858 -9.286 6.137 604 HB2 LEU 78 1HB LEU 78 -3.845 -7.020 6.657 605 HB3 LEU 78 2HB LEU 78 -2.438 -6.858 5.616 606 HG LEU 78 HG LEU 78 -4.747 -8.745 5.070 607 HD11 LEU 78 1HD1 LEU 78 -5.455 -6.388 5.074 608 HD12 LEU 78 2HD1 LEU 78 -5.455 -7.013 3.429 609 HD13 LEU 78 3HD1 LEU 78 -4.128 -5.968 3.966 610 HD21 LEU 78 3HD2 LEU 78 -2.545 -7.817 3.193 611 HD22 LEU 78 1HD2 LEU 78 -3.894 -8.884 2.792 612 HD23 LEU 78 2HD2 LEU 78 -2.670 -9.441 3.926 613 H ASP 79 H ASP 79 -3.030 -8.157 9.222 614 HA ASP 79 HA ASP 79 -0.858 -6.324 9.780 615 HB2 ASP 79 1HB ASP 79 -3.376 -6.365 10.594 616 HB3 ASP 79 2HB ASP 79 -2.761 -7.401 11.865 617 H ASP 80 H ASP 80 -0.947 -9.499 9.387 618 HA ASP 80 HA ASP 80 1.378 -9.959 11.175 619 HB2 ASP 80 1HB ASP 80 -0.727 -11.270 11.730 620 HB3 ASP 80 2HB ASP 80 -0.580 -12.062 10.158 621 H PHE 81 H PHE 81 0.410 -9.397 7.835 622 HA PHE 81 HA PHE 81 2.385 -11.315 6.783 623 HB2 PHE 81 1HB PHE 81 1.336 -11.045 4.834 624 HB3 PHE 81 2HB PHE 81 0.100 -10.271 5.689 625 HD1 PHE 81 1HD PHE 81 3.338 -9.303 4.052 626 HD2 PHE 81 2HD PHE 81 -0.790 -8.297 4.717 627 HE1 PHE 81 1HE PHE 81 3.535 -7.425 2.471 628 HE2 PHE 81 2HE PHE 81 -0.616 -6.478 3.053 629 HZ PHE 81 HZ PHE 81 1.550 -6.049 1.916 630 H GLU 82 H GLU 82 1.726 -7.822 7.137 631 HA GLU 82 HA GLU 82 4.243 -6.956 6.061 632 HB2 GLU 82 1HB GLU 82 1.945 -5.642 7.524 633 HB3 GLU 82 2HB GLU 82 3.391 -4.735 7.213 634 HG2 GLU 82 1HG GLU 82 1.592 -5.920 5.130 635 HG3 GLU 82 2HG GLU 82 1.636 -4.250 5.631 636 H ASP 83 H ASP 83 3.795 -8.498 8.932 637 HA ASP 83 HA ASP 83 4.794 -8.617 10.928 638 HB2 ASP 83 1HB ASP 83 6.858 -8.465 9.122 639 HB3 ASP 83 2HB ASP 83 7.245 -7.133 10.191 640 H CYS 84 H CYS 84 3.223 -5.989 10.332 641 HA CYS 84 HA CYS 84 4.342 -4.009 12.066 642 HB2 CYS 84 1HB CYS 84 1.747 -3.502 12.265 643 HB3 CYS 84 2HB CYS 84 2.629 -3.178 10.761 644 HG CYS 84 HG CYS 84 0.272 -4.143 10.236 645 HA PRO 85 HA PRO 85 3.225 -2.577 13.844 646 HB2 PRO 85 1HB PRO 85 3.941 -1.958 16.354 647 HB3 PRO 85 2HB PRO 85 2.275 -2.453 15.938 648 HG2 PRO 85 1HG PRO 85 4.497 -4.200 17.064 649 HG3 PRO 85 2HG PRO 85 2.823 -4.004 17.676 650 HD2 PRO 85 1HD PRO 85 3.515 -6.052 15.997 651 HD3 PRO 85 2HD PRO 85 1.925 -5.253 15.868 652 H SER 86 H SER 86 5.707 -4.994 14.256 653 HA SER 86 HA SER 86 7.948 -3.466 14.972 654 HB2 SER 86 1HB SER 86 7.834 -5.863 13.103 655 HB3 SER 86 2HB SER 86 9.230 -5.273 13.936 656 HG SER 86 HG SER 86 7.302 -6.881 14.900 657 H MET 87 H MET 87 7.020 -4.497 11.650 658 HA MET 87 HA MET 87 9.008 -2.749 10.479 659 HB2 MET 87 1HB MET 87 6.787 -4.500 9.450 660 HB3 MET 87 2HB MET 87 7.719 -3.485 8.363 661 HG2 MET 87 1HG MET 87 9.761 -4.570 8.981 662 HG3 MET 87 2HG MET 87 8.939 -5.586 10.152 663 HE1 MET 87 3HE MET 87 8.871 -4.649 6.211 664 HE2 MET 87 1HE MET 87 7.960 -6.044 5.624 665 HE3 MET 87 2HE MET 87 7.154 -4.858 6.662 666 H TYR 88 H TYR 88 5.401 -2.713 10.333 667 HA TYR 88 HA TYR 88 5.422 0.195 9.638 668 HB2 TYR 88 1HB TYR 88 3.729 -2.147 8.828 669 HB3 TYR 88 2HB TYR 88 3.157 -0.505 8.578 670 HD1 TYR 88 2HD TYR 88 4.337 0.992 6.955 671 HD2 TYR 88 1HD TYR 88 5.195 -3.227 7.287 672 HE1 TYR 88 2HE TYR 88 5.174 0.982 4.629 673 HE2 TYR 88 1HE TYR 88 6.021 -3.248 4.985 674 HH TYR 88 HH TYR 88 5.951 -2.063 2.997 675 H GLN 89 H GLN 89 3.099 1.143 10.279 676 HA GLN 89 HA GLN 89 2.313 -0.045 12.947 677 HB2 GLN 89 1HB GLN 89 2.679 2.878 12.228 678 HB3 GLN 89 2HB GLN 89 2.092 2.250 13.762 679 HG2 GLN 89 1HG GLN 89 4.159 2.194 14.485 680 HG3 GLN 89 2HG GLN 89 4.479 0.832 13.453 681 HE21 GLN 89 1HE2 GLN 89 6.421 1.180 12.358 682 HE22 GLN 89 2HE2 GLN 89 6.905 2.640 11.551 683 H ARG 90 H ARG 90 1.137 0.959 10.075 684 HA ARG 90 HA ARG 90 -0.937 1.267 9.058 685 HB2 ARG 90 1HB ARG 90 -1.484 -0.872 10.181 686 HB3 ARG 90 2HB ARG 90 -2.097 -0.001 11.529 687 HG2 ARG 90 1HG ARG 90 -3.224 0.650 8.782 688 HG3 ARG 90 2HG ARG 90 -3.672 -0.862 9.534 689 HD2 ARG 90 1HD ARG 90 -4.279 1.904 10.631 690 HD3 ARG 90 2HD ARG 90 -5.391 0.645 10.020 691 HE ARG 90 HE ARG 90 -3.769 -0.331 12.158 692 HH11 ARG 90 1HH1 ARG 90 -6.909 1.201 11.526 693 HH12 ARG 90 2HH1 ARG 90 -7.537 0.762 13.075 694 HH21 ARG 90 1HH2 ARG 90 -4.429 -0.520 14.221 695 HH22 ARG 90 2HH2 ARG 90 -6.126 -0.465 14.623 696 H THR 91 H THR 91 -1.967 3.105 8.612 697 HA THR 91 HA THR 91 -2.817 4.822 10.868 698 HB THR 91 HB THR 91 -1.329 5.708 8.368 699 HG1 THR 91 1HG THR 91 0.425 5.337 9.301 700 HG21 THR 91 3HG2 THR 91 -1.866 7.108 11.014 701 HG22 THR 91 1HG2 THR 91 -2.501 7.580 9.408 702 HG23 THR 91 2HG2 THR 91 -0.774 7.700 9.743 703 H ALA 92 H ALA 92 -4.326 6.547 10.008 704 HA ALA 92 HA ALA 92 -6.073 5.660 7.746 705 HB1 ALA 92 1HB ALA 92 -7.848 6.654 8.854 706 HB2 ALA 92 2HB ALA 92 -7.032 5.679 10.059 707 HB3 ALA 92 3HB ALA 92 -6.800 7.435 10.068 708 H LEU 93 H LEU 93 -6.040 6.834 5.967 709 HA LEU 93 HA LEU 93 -4.556 9.412 5.952 710 HB2 LEU 93 1HB LEU 93 -3.175 8.745 4.282 711 HB3 LEU 93 2HB LEU 93 -3.330 7.299 5.269 712 HG LEU 93 HG LEU 93 -4.449 7.415 2.634 713 HD11 LEU 93 1HD1 LEU 93 -1.975 6.349 3.563 714 HD12 LEU 93 2HD1 LEU 93 -2.313 7.676 2.479 715 HD13 LEU 93 3HD1 LEU 93 -2.763 6.083 1.962 716 HD21 LEU 93 3HD2 LEU 93 -5.399 5.374 2.851 717 HD22 LEU 93 1HD2 LEU 93 -6.141 6.527 3.904 718 HD23 LEU 93 2HD2 LEU 93 -5.032 5.349 4.603 719 H GLN 94 H GLN 94 -4.744 9.970 3.105 720 HA GLN 94 HA GLN 94 -7.647 10.041 2.767 721 HB2 GLN 94 1HB GLN 94 -6.806 12.205 3.735 722 HB3 GLN 94 2HB GLN 94 -5.725 12.347 2.357 723 HG2 GLN 94 1HG GLN 94 -7.442 13.812 1.889 724 HG3 GLN 94 2HG GLN 94 -7.808 12.440 0.861 725 HE21 GLN 94 1HE2 GLN 94 -9.379 10.653 2.468 726 HE22 GLN 94 2HE2 GLN 94 -10.687 11.587 3.130 727 H VAL 95 H VAL 95 -8.392 9.554 0.794 728 HA VAL 95 HA VAL 95 -6.634 9.588 -1.595 729 HB VAL 95 HB VAL 95 -6.143 7.781 -0.386 730 HG11 VAL 95 1HG1 VAL 95 -7.247 7.185 1.220 731 HG12 VAL 95 2HG1 VAL 95 -8.741 7.323 0.259 732 HG13 VAL 95 3HG1 VAL 95 -7.644 5.856 0.120 733 HG21 VAL 95 3HG2 VAL 95 -7.861 6.642 -2.583 734 HG22 VAL 95 1HG2 VAL 95 -6.176 7.138 -2.734 735 HG23 VAL 95 2HG2 VAL 95 -6.552 5.752 -1.756 736 H GLN 96 H GLN 96 -7.437 9.961 -3.466 737 HA GLN 96 HA GLN 96 -10.138 10.895 -3.664 738 HB2 GLN 96 1HB GLN 96 -8.551 11.979 -4.973 739 HB3 GLN 96 2HB GLN 96 -7.921 10.466 -5.644 740 HG2 GLN 96 1HG GLN 96 -9.930 10.124 -6.939 741 HG3 GLN 96 2HG GLN 96 -10.749 11.479 -6.156 742 HE21 GLN 96 1HE2 GLN 96 -10.744 13.311 -7.242 743 HE22 GLN 96 2HE2 GLN 96 -9.924 13.540 -8.766 744 H VAL 97 H VAL 97 -11.904 9.910 -4.334 745 HA VAL 97 HA VAL 97 -12.013 7.088 -5.103 746 HB VAL 97 HB VAL 97 -14.077 9.328 -4.959 747 HG11 VAL 97 1HG1 VAL 97 -15.738 7.508 -5.161 748 HG12 VAL 97 2HG1 VAL 97 -14.722 7.556 -6.597 749 HG13 VAL 97 3HG1 VAL 97 -14.439 6.309 -5.354 750 HG21 VAL 97 3HG2 VAL 97 -13.409 6.996 -3.095 751 HG22 VAL 97 1HG2 VAL 97 -13.241 8.728 -2.742 752 HG23 VAL 97 2HG2 VAL 97 -14.841 8.020 -2.918 753 H LEU 98 H LEU 98 -11.019 6.719 -6.980 754 HA LEU 98 HA LEU 98 -11.242 8.611 -9.231 755 HB2 LEU 98 1HB LEU 98 -9.527 6.363 -8.624 756 HB3 LEU 98 2HB LEU 98 -10.481 5.929 -10.025 757 HG LEU 98 HG LEU 98 -8.464 6.885 -10.765 758 HD11 LEU 98 1HD1 LEU 98 -10.428 9.176 -11.144 759 HD12 LEU 98 2HD1 LEU 98 -10.681 7.581 -11.882 760 HD13 LEU 98 3HD1 LEU 98 -9.259 8.519 -12.292 761 HD21 LEU 98 3HD2 LEU 98 -9.031 9.315 -9.023 762 HD22 LEU 98 1HD2 LEU 98 -7.670 9.151 -10.147 763 HD23 LEU 98 2HD2 LEU 98 -7.780 8.067 -8.752 764 H GLU 99 H GLU 99 -12.677 5.676 -7.873 765 HA GLU 99 HA GLU 99 -15.165 6.056 -9.228 766 HB2 GLU 99 1HB GLU 99 -13.711 4.880 -10.940 767 HB3 GLU 99 2HB GLU 99 -13.451 3.585 -9.792 768 HG2 GLU 99 1HG GLU 99 -15.740 2.894 -9.948 769 HG3 GLU 99 2HG GLU 99 -16.224 4.420 -10.704 770 H TRP 100 H TRP 100 -16.718 4.785 -8.032 771 HA TRP 100 HA TRP 100 -15.739 3.118 -5.774 772 HB2 TRP 100 1HB TRP 100 -16.488 5.333 -4.978 773 HB3 TRP 100 2HB TRP 100 -18.085 5.080 -5.705 774 HD1 TRP 100 HD TRP 100 -19.848 3.809 -4.005 775 HE1 TRP 100 1HE TRP 100 -19.608 2.536 -1.880 776 HE3 TRP 100 3HE TRP 100 -14.719 4.114 -3.373 777 HZ2 TRP 100 2HZ TRP 100 -17.588 1.755 -0.056 778 HZ3 TRP 100 3HZ TRP 100 -13.702 3.147 -1.347 779 HH2 TRP 100 HH TRP 100 -15.097 1.872 0.280 780 H GLU 101 H GLU 101 -16.713 1.068 -5.780 781 HA GLU 101 HA GLU 101 -19.046 0.701 -7.558 782 HB2 GLU 101 1HB GLU 101 -16.743 -1.258 -7.131 783 HB3 GLU 101 2HB GLU 101 -18.190 -1.456 -8.123 784 HG2 GLU 101 1HG GLU 101 -17.266 0.821 -9.243 785 HG3 GLU 101 2HG GLU 101 -15.759 0.259 -8.499 786 H GLY 102 H GLY 102 -20.669 0.654 -6.087 787 HA2 GLY 102 2HA GLY 102 -21.880 -1.061 -4.846 788 HA3 GLY 102 1HA GLY 102 -20.453 -1.277 -3.826 789 H ASP 103 H ASP 103 -22.275 -0.934 -2.360 790 HA ASP 103 HA ASP 103 -23.440 1.497 -1.654 791 HB2 ASP 103 1HB ASP 103 -24.316 0.175 -0.200 792 HB3 ASP 103 2HB ASP 103 -23.155 -1.128 -0.512 793 H GLY 104 H GLY 104 -23.003 3.030 -0.049 794 HA2 GLY 104 2HA GLY 104 -21.940 3.740 1.844 795 HA3 GLY 104 1HA GLY 104 -20.823 2.384 1.612 796 H ASP 105 H ASP 105 -21.771 5.268 -0.034 797 HA ASP 105 HA ASP 105 -19.493 5.903 -1.460 798 HB2 ASP 105 1HB ASP 105 -21.689 5.758 -2.367 799 HB3 ASP 105 2HB ASP 105 -22.365 6.888 -1.227 800 HA PRO 106 HA PRO 106 -18.657 8.729 2.094 801 HB2 PRO 106 1HB PRO 106 -15.945 8.985 1.826 802 HB3 PRO 106 2HB PRO 106 -16.735 7.509 2.453 803 HG2 PRO 106 1HG PRO 106 -15.821 8.083 -0.386 804 HG3 PRO 106 2HG PRO 106 -15.487 6.626 0.633 805 HD2 PRO 106 1HD PRO 106 -17.458 6.666 -1.218 806 HD3 PRO 106 2HD PRO 106 -17.597 5.812 0.339 807 H GLY 107 H GLY 107 -18.059 9.555 -1.331 808 HA2 GLY 107 2HA GLY 107 -18.268 11.893 -2.026 809 HA3 GLY 107 1HA GLY 107 -17.431 12.343 -0.540 810 H ASP 108 H ASP 108 -15.984 13.383 -2.132 811 HA ASP 108 HA ASP 108 -14.851 12.003 -4.307 812 HB2 ASP 108 1HB ASP 108 -13.708 14.443 -2.976 813 HB3 ASP 108 2HB ASP 108 -13.258 13.869 -4.543 814 H SER 109 H SER 109 -13.574 11.746 -0.955 815 HA SER 109 HA SER 109 -11.317 10.350 -2.004 816 HB2 SER 109 1HB SER 109 -9.737 11.677 -0.496 817 HB3 SER 109 2HB SER 109 -10.259 12.494 -1.955 818 HG SER 109 HG SER 109 -10.524 14.005 -0.463 819 H VAL 110 H VAL 110 -10.167 8.969 -0.029 820 HA VAL 110 HA VAL 110 -12.443 8.856 1.974 821 HB VAL 110 HB VAL 110 -12.661 6.589 1.852 822 HG11 VAL 110 1HG1 VAL 110 -12.416 7.472 -1.030 823 HG12 VAL 110 2HG1 VAL 110 -13.528 6.262 -0.376 824 HG13 VAL 110 3HG1 VAL 110 -13.711 7.995 0.050 825 HG21 VAL 110 3HG2 VAL 110 -10.228 5.908 1.344 826 HG22 VAL 110 1HG2 VAL 110 -11.469 5.068 0.403 827 HG23 VAL 110 2HG2 VAL 110 -10.519 6.378 -0.329 828 H GLN 111 H GLN 111 -12.008 7.905 3.907 829 HA GLN 111 HA GLN 111 -9.152 7.857 4.619 830 HB2 GLN 111 1HB GLN 111 -10.431 9.393 5.966 831 HB3 GLN 111 2HB GLN 111 -11.522 8.085 6.509 832 HG2 GLN 111 1HG GLN 111 -9.809 7.024 7.704 833 HG3 GLN 111 2HG GLN 111 -8.532 7.773 6.714 834 HE21 GLN 111 1HE2 GLN 111 -7.272 8.869 8.059 835 HE22 GLN 111 2HE2 GLN 111 -7.814 10.057 9.233 836 H CYS 112 H CYS 112 -8.768 6.083 3.576 837 HA CYS 112 HA CYS 112 -9.907 3.449 4.406 838 HB2 CYS 112 1HB CYS 112 -7.763 4.361 2.440 839 HB3 CYS 112 2HB CYS 112 -7.758 2.704 3.034 840 HG CYS 112 HG CYS 112 -8.946 3.139 0.573 841 H PHE 113 H PHE 113 -8.310 1.921 5.412 842 HA PHE 113 HA PHE 113 -6.189 3.296 6.984 843 HB2 PHE 113 1HB PHE 113 -6.947 0.361 6.943 844 HB3 PHE 113 2HB PHE 113 -5.634 1.072 7.845 845 HD1 PHE 113 2HD PHE 113 -6.183 2.966 9.520 846 HD2 PHE 113 1HD PHE 113 -9.130 0.270 7.908 847 HE1 PHE 113 2HE PHE 113 -7.763 3.591 11.359 848 HE2 PHE 113 1HE PHE 113 -10.667 0.834 9.779 849 HZ PHE 113 HZ PHE 113 -9.992 2.498 11.492 850 H VAL 114 H VAL 114 -4.110 3.202 6.445 851 HA VAL 114 HA VAL 114 -3.175 1.591 4.209 852 HB VAL 114 HB VAL 114 -3.119 4.680 4.150 853 HG11 VAL 114 1HG1 VAL 114 -0.777 4.216 4.002 854 HG12 VAL 114 2HG1 VAL 114 -1.024 2.721 3.119 855 HG13 VAL 114 3HG1 VAL 114 -1.338 4.272 2.328 856 HG21 VAL 114 3HG2 VAL 114 -4.764 3.253 2.930 857 HG22 VAL 114 1HG2 VAL 114 -3.738 4.274 1.934 858 HG23 VAL 114 2HG2 VAL 114 -3.397 2.533 2.049 859 H TYR 115 H TYR 115 -1.375 0.540 4.739 860 HA TYR 115 HA TYR 115 -0.128 0.870 7.309 861 HB2 TYR 115 1HB TYR 115 0.825 -0.668 4.867 862 HB3 TYR 115 2HB TYR 115 1.558 -0.697 6.450 863 HD1 TYR 115 1HD TYR 115 -0.390 -1.004 8.391 864 HD2 TYR 115 2HD TYR 115 -0.220 -2.786 4.487 865 HE1 TYR 115 1HE TYR 115 -1.663 -2.939 9.241 866 HE2 TYR 115 2HE TYR 115 -1.539 -4.706 5.313 867 HH TYR 115 HH TYR 115 -2.464 -5.053 8.714 868 H THR 116 H THR 116 1.180 2.478 7.874 869 HA THR 116 HA THR 116 3.178 3.380 5.951 870 HB THR 116 HB THR 116 2.969 5.704 6.665 871 HG1 THR 116 1HG THR 116 2.253 5.359 8.813 872 HG21 THR 116 3HG2 THR 116 0.914 6.356 5.680 873 HG22 THR 116 1HG2 THR 116 0.116 4.835 6.141 874 HG23 THR 116 2HG2 THR 116 1.374 4.833 4.892 875 H THR 117 H THR 117 4.816 4.747 7.346 876 HA THR 117 HA THR 117 5.121 3.628 10.047 877 HB THR 117 HB THR 117 6.625 2.296 8.854 878 HG1 THR 117 1HG THR 117 8.497 2.865 9.715 879 HG21 THR 117 3HG2 THR 117 7.435 4.725 7.201 880 HG22 THR 117 1HG2 THR 117 6.636 3.264 6.631 881 HG23 THR 117 2HG2 THR 117 8.309 3.174 7.196 882 H ALA 118 H ALA 118 6.148 5.053 11.454 883 HA ALA 118 HA ALA 118 6.404 7.912 10.671 884 HB1 ALA 118 1HB ALA 118 5.581 6.696 13.328 885 HB2 ALA 118 2HB ALA 118 5.726 8.426 12.954 886 HB3 ALA 118 3HB ALA 118 4.489 7.450 12.142 887 H THR 119 H THR 119 8.240 5.176 11.487 888 HA THR 119 HA THR 119 10.408 6.804 12.693 889 HB THR 119 HB THR 119 9.540 5.826 14.600 890 HG1 THR 119 1HG THR 119 11.532 4.101 13.596 891 HG21 THR 119 3HG2 THR 119 8.994 3.444 14.917 892 HG22 THR 119 1HG2 THR 119 9.243 3.144 13.186 893 HG23 THR 119 2HG2 THR 119 7.937 4.213 13.741 894 H TYR 120 H TYR 120 10.783 6.825 10.358 895 HA TYR 120 HA TYR 120 11.634 4.296 9.144 896 HB2 TYR 120 1HB TYR 120 11.710 6.092 7.144 897 HB3 TYR 120 2HB TYR 120 10.304 5.190 7.674 898 HD1 TYR 120 1HD TYR 120 12.002 8.518 7.966 899 HD2 TYR 120 2HD TYR 120 8.370 6.275 8.524 900 HE1 TYR 120 1HE TYR 120 10.713 10.645 8.271 901 HE2 TYR 120 2HE TYR 120 7.101 8.403 8.777 902 HH TYR 120 HH TYR 120 7.274 10.649 9.135 903 H ALA 121 H ALA 121 13.277 6.232 11.049 904 HA ALA 121 HA ALA 121 15.423 6.601 11.507 905 HB1 ALA 121 1HB ALA 121 16.225 4.922 9.104 906 HB2 ALA 121 2HB ALA 121 17.186 5.224 10.542 907 HB3 ALA 121 3HB ALA 121 15.754 4.238 10.673 908 HA PRO 122 HA PRO 122 16.331 10.197 9.531 909 HB2 PRO 122 1HB PRO 122 19.120 10.566 9.542 910 HB3 PRO 122 2HB PRO 122 18.043 10.759 10.949 911 HG2 PRO 122 1HG PRO 122 19.667 8.338 10.166 912 HG3 PRO 122 2HG PRO 122 19.485 9.077 11.789 913 HD2 PRO 122 1HD PRO 122 18.080 6.923 11.119 914 HD3 PRO 122 2HD PRO 122 17.283 8.231 12.030 915 H GLU 123 H GLU 123 18.258 7.618 8.075 916 HA GLU 123 HA GLU 123 19.232 9.023 5.867 917 HB2 GLU 123 1HB GLU 123 19.441 6.731 4.890 918 HB3 GLU 123 2HB GLU 123 20.166 6.914 6.478 919 HG2 GLU 123 1HG GLU 123 17.338 5.963 6.561 920 HG3 GLU 123 2HG GLU 123 18.478 4.869 5.742 921 H TRP 124 H TRP 124 16.081 7.395 6.251 922 HA TRP 124 HA TRP 124 15.594 7.389 3.426 923 HB2 TRP 124 1HB TRP 124 13.748 6.878 5.771 924 HB3 TRP 124 2HB TRP 124 13.313 6.636 4.087 925 HD1 TRP 124 HD TRP 124 16.737 5.447 4.172 926 HE1 TRP 124 1HE TRP 124 16.932 2.937 4.545 927 HE3 TRP 124 3HE TRP 124 11.918 4.447 5.611 928 HZ2 TRP 124 2HZ TRP 124 15.313 0.814 5.549 929 HZ3 TRP 124 3HZ TRP 124 11.270 2.130 6.236 930 HH2 TRP 124 HH TRP 124 12.976 0.309 6.207 931 H LEU 125 H LEU 125 15.472 9.937 5.630 932 HA LEU 125 HA LEU 125 13.305 11.486 4.389 933 HB2 LEU 125 1HB LEU 125 15.573 12.188 6.299 934 HB3 LEU 125 2HB LEU 125 14.513 13.394 5.632 935 HG LEU 125 HG LEU 125 13.817 12.924 7.805 936 HD11 LEU 125 1HD1 LEU 125 11.721 11.673 6.002 937 HD12 LEU 125 2HD1 LEU 125 12.097 13.407 6.012 938 HD13 LEU 125 3HD1 LEU 125 11.473 12.638 7.474 939 HD21 LEU 125 3HD2 LEU 125 14.657 10.634 8.029 940 HD22 LEU 125 1HD2 LEU 125 13.299 10.048 7.061 941 HD23 LEU 125 2HD2 LEU 125 13.008 10.829 8.637 942 H PHE 126 H PHE 126 16.538 10.697 3.493 943 HA PHE 126 HA PHE 126 16.736 13.110 1.745 944 HB2 PHE 126 1HB PHE 126 18.874 11.086 2.293 945 HB3 PHE 126 2HB PHE 126 19.058 12.749 1.737 946 HD1 PHE 126 1HD PHE 126 17.866 14.483 3.643 947 HD2 PHE 126 2HD PHE 126 19.745 10.662 4.343 948 HE1 PHE 126 1HE PHE 126 18.339 15.132 5.975 949 HE2 PHE 126 2HE PHE 126 20.167 11.271 6.680 950 HZ PHE 126 HZ PHE 126 19.517 13.550 7.512 951 H LEU 127 H LEU 127 15.798 9.834 1.557 952 HA LEU 127 HA LEU 127 16.966 9.222 -1.029 953 HB2 LEU 127 1HB LEU 127 14.617 7.990 0.458 954 HB3 LEU 127 2HB LEU 127 15.292 7.327 -1.014 955 HG LEU 127 HG LEU 127 16.784 7.595 1.625 956 HD11 LEU 127 1HD1 LEU 127 15.006 5.868 1.656 957 HD12 LEU 127 2HD1 LEU 127 16.615 5.126 1.680 958 HD13 LEU 127 3HD1 LEU 127 15.674 5.144 0.182 959 HD21 LEU 127 3HD2 LEU 127 18.387 7.753 -0.206 960 HD22 LEU 127 1HD2 LEU 127 17.672 6.322 -0.994 961 HD23 LEU 127 2HD2 LEU 127 18.504 6.181 0.574 962 HA PRO 128 HA PRO 128 13.974 11.357 -3.490 963 HB2 PRO 128 1HB PRO 128 14.075 10.077 -5.873 964 HB3 PRO 128 2HB PRO 128 15.480 10.965 -5.213 965 HG2 PRO 128 1HG PRO 128 14.942 7.986 -5.047 966 HG3 PRO 128 2HG PRO 128 16.448 8.810 -5.568 967 HD2 PRO 128 1HD PRO 128 16.049 7.875 -3.025 968 HD3 PRO 128 2HD PRO 128 17.009 9.345 -3.329 969 H TYR 129 H TYR 129 11.847 11.190 -4.462 970 HA TYR 129 HA TYR 129 10.293 8.923 -3.374 971 HB2 TYR 129 1HB TYR 129 9.402 11.662 -4.299 972 HB3 TYR 129 2HB TYR 129 8.373 10.465 -3.525 973 HD1 TYR 129 1HD TYR 129 9.871 9.464 -1.290 974 HD2 TYR 129 2HD TYR 129 9.696 13.494 -2.815 975 HE1 TYR 129 1HE TYR 129 10.621 10.347 0.904 976 HE2 TYR 129 2HE TYR 129 10.355 14.370 -0.609 977 HH TYR 129 HH TYR 129 11.769 12.309 1.714 978 H HIS 130 H HIS 130 8.178 8.564 -4.564 979 HA HIS 130 HA HIS 130 8.547 8.226 -7.487 980 HB2 HIS 130 1HB HIS 130 7.676 6.173 -5.394 981 HB3 HIS 130 2HB HIS 130 7.530 5.947 -7.136 982 HD1 HIS 130 1HD HIS 130 9.759 5.475 -8.502 983 HD2 HIS 130 2HD HIS 130 10.255 6.176 -4.379 984 HE1 HIS 130 1HE HIS 130 12.177 4.906 -7.971 985 H GLU 131 H GLU 131 6.351 7.571 -8.451 986 HA GLU 131 HA GLU 131 4.120 8.991 -7.049 987 HB2 GLU 131 1HB GLU 131 5.219 9.550 -9.526 988 HB3 GLU 131 2HB GLU 131 3.942 8.414 -9.944 989 HG2 GLU 131 1HG GLU 131 2.391 10.023 -8.436 990 HG3 GLU 131 2HG GLU 131 3.784 11.088 -8.576 991 H SER 132 H SER 132 5.261 5.877 -8.129 992 HA SER 132 HA SER 132 2.899 4.705 -6.953 993 HB2 SER 132 1HB SER 132 3.458 4.353 -9.930 994 HB3 SER 132 2HB SER 132 2.450 3.237 -8.998 995 HG SER 132 HG SER 132 1.986 6.003 -8.841 996 H TYR 133 H TYR 133 3.108 2.368 -6.930 997 HA TYR 133 HA TYR 133 5.812 1.262 -7.215 998 HB2 TYR 133 1HB TYR 133 4.634 1.139 -4.857 999 HB3 TYR 133 2HB TYR 133 3.616 -0.031 -5.589 1000 HD1 TYR 133 2HD TYR 133 7.338 0.140 -6.441 1001 HD2 TYR 133 1HD TYR 133 4.267 -1.790 -4.081 1002 HE1 TYR 133 2HE TYR 133 8.966 -1.470 -5.657 1003 HE2 TYR 133 1HE TYR 133 5.932 -3.441 -3.300 1004 HH TYR 133 HH TYR 133 9.387 -3.123 -3.791 1005 H ASP 134 H ASP 134 4.815 -1.405 -7.339 1006 HA ASP 134 HA ASP 134 3.841 -2.993 -8.641 1007 HB2 ASP 134 1HB ASP 134 1.949 -1.287 -9.039 1008 HB3 ASP 134 2HB ASP 134 2.792 -0.863 -10.534 1009 H SER 135 H SER 135 4.963 -4.116 -10.022 1010 HA SER 135 HA SER 135 7.306 -3.350 -11.332 1011 HB2 SER 135 1HB SER 135 6.286 -5.726 -10.850 1012 HB3 SER 135 2HB SER 135 5.792 -5.562 -12.546 1013 HG SER 135 HG SER 135 7.834 -6.416 -12.581 1014 H GLU 136 H GLU 136 3.913 -3.181 -12.429 1015 HA GLU 136 HA GLU 136 4.461 -2.634 -15.195 1016 HB2 GLU 136 1HB GLU 136 2.043 -2.014 -13.438 1017 HB3 GLU 136 2HB GLU 136 2.119 -1.771 -15.190 1018 HG2 GLU 136 1HG GLU 136 2.744 -4.229 -15.410 1019 HG3 GLU 136 2HG GLU 136 2.352 -4.427 -13.706 1020 H GLY 137 H GLY 137 4.975 -0.657 -12.400 1021 HA2 GLY 137 2HA GLY 137 4.414 1.910 -13.613 1022 HA3 GLY 137 1HA GLY 137 5.191 1.580 -12.054 1023 HA PRO 138 HA PRO 138 8.161 2.496 -15.726 1024 HB2 PRO 138 1HB PRO 138 8.740 5.174 -15.484 1025 HB3 PRO 138 2HB PRO 138 7.332 4.549 -16.390 1026 HG2 PRO 138 1HG PRO 138 7.398 5.563 -13.531 1027 HG3 PRO 138 2HG PRO 138 6.257 6.014 -14.838 1028 HD2 PRO 138 1HD PRO 138 5.613 4.132 -12.987 1029 HD3 PRO 138 2HD PRO 138 5.130 3.932 -14.698 1030 H HIS 139 H HIS 139 8.251 3.170 -12.322 1031 HA HIS 139 HA HIS 139 10.918 4.049 -12.020 1032 HB2 HIS 139 1HB HIS 139 9.159 2.823 -9.894 1033 HB3 HIS 139 2HB HIS 139 10.509 3.910 -9.693 1034 HD1 HIS 139 1HD HIS 139 9.734 6.478 -11.288 1035 HD2 HIS 139 2HD HIS 139 6.973 3.835 -9.571 1036 HE1 HIS 139 1HE HIS 139 7.617 7.825 -10.952 1037 H GLY 140 H GLY 140 11.910 2.487 -13.256 1038 HA2 GLY 140 2HA GLY 140 12.148 -0.274 -13.033 1039 HA3 GLY 140 1HA GLY 140 13.427 0.773 -13.640 1040 H LEU 141 H LEU 141 11.989 -0.233 -10.606 1041 HA LEU 141 HA LEU 141 14.146 -1.576 -9.381 1042 HB2 LEU 141 1HB LEU 141 14.321 0.001 -7.427 1043 HB3 LEU 141 2HB LEU 141 15.243 0.412 -8.833 1044 HG LEU 141 HG LEU 141 12.677 1.799 -9.006 1045 HD11 LEU 141 1HD1 LEU 141 13.420 3.371 -6.946 1046 HD12 LEU 141 2HD1 LEU 141 13.882 1.813 -6.274 1047 HD13 LEU 141 3HD1 LEU 141 12.216 2.086 -6.856 1048 HD21 LEU 141 3HD2 LEU 141 14.789 2.457 -10.089 1049 HD22 LEU 141 1HD2 LEU 141 15.452 2.917 -8.515 1050 HD23 LEU 141 2HD2 LEU 141 14.038 3.775 -9.186 1051 H ARG 142 H ARG 142 11.856 -2.733 -9.712 1052 HA ARG 142 HA ARG 142 9.934 -1.698 -7.753 1053 HB2 ARG 142 1HB ARG 142 9.233 -3.826 -9.757 1054 HB3 ARG 142 2HB ARG 142 8.174 -2.873 -8.716 1055 HG2 ARG 142 1HG ARG 142 7.921 -1.604 -10.616 1056 HG3 ARG 142 2HG ARG 142 9.293 -0.790 -9.948 1057 HD2 ARG 142 1HD ARG 142 10.812 -1.970 -11.308 1058 HD3 ARG 142 2HD ARG 142 9.617 -3.190 -11.795 1059 HE ARG 142 HE ARG 142 8.644 -0.693 -12.664 1060 HH11 ARG 142 1HH1 ARG 142 11.058 -3.212 -13.540 1061 HH12 ARG 142 2HH1 ARG 142 11.264 -2.542 -15.133 1062 HH21 ARG 142 1HH2 ARG 142 8.760 -0.121 -14.824 1063 HH22 ARG 142 2HH2 ARG 142 9.990 -0.833 -15.885 1064 H TYR 143 H TYR 143 8.672 -4.363 -7.241 1065 HA TYR 143 HA TYR 143 10.449 -4.995 -5.029 1066 HB2 TYR 143 1HB TYR 143 7.878 -5.509 -5.044 1067 HB3 TYR 143 2HB TYR 143 8.265 -6.821 -6.107 1068 HD1 TYR 143 1HD TYR 143 10.000 -5.584 -2.889 1069 HD2 TYR 143 2HD TYR 143 7.996 -8.796 -4.965 1070 HE1 TYR 143 1HE TYR 143 10.369 -7.060 -0.980 1071 HE2 TYR 143 2HE TYR 143 8.373 -10.287 -3.034 1072 HH TYR 143 HH TYR 143 10.534 -9.721 -0.652 1073 H ASN 144 H ASN 144 11.997 -6.591 -4.863 1074 HA ASN 144 HA ASN 144 12.581 -8.134 -7.361 1075 HB2 ASN 144 1HB ASN 144 14.380 -6.720 -5.410 1076 HB3 ASN 144 2HB ASN 144 14.964 -8.087 -6.359 1077 HD21 ASN 144 1HD2 ASN 144 16.446 -6.115 -7.050 1078 HD22 ASN 144 2HD2 ASN 144 15.873 -5.379 -8.575 1079 HA PRO 145 HA PRO 145 11.578 -11.137 -4.038 1080 HB2 PRO 145 1HB PRO 145 10.038 -12.842 -5.526 1081 HB3 PRO 145 2HB PRO 145 9.399 -11.331 -4.806 1082 HG2 PRO 145 1HG PRO 145 10.371 -11.742 -7.646 1083 HG3 PRO 145 2HG PRO 145 8.845 -11.023 -7.144 1084 HD2 PRO 145 1HD PRO 145 10.997 -9.503 -7.737 1085 HD3 PRO 145 2HD PRO 145 9.906 -9.054 -6.392 1086 H ARG 146 H ARG 146 12.143 -11.752 -7.479 1087 HA ARG 146 HA ARG 146 14.405 -13.556 -7.086 1088 HB2 ARG 146 1HB ARG 146 12.065 -14.641 -6.590 1089 HB3 ARG 146 2HB ARG 146 11.800 -14.555 -8.326 1090 HG2 ARG 146 1HG ARG 146 13.488 -16.153 -8.763 1091 HG3 ARG 146 2HG ARG 146 14.320 -15.803 -7.224 1092 HD2 ARG 146 1HD ARG 146 12.510 -16.832 -5.957 1093 HD3 ARG 146 2HD ARG 146 11.539 -17.047 -7.424 1094 HE ARG 146 HE ARG 146 13.732 -18.460 -8.082 1095 HH11 ARG 146 1HH1 ARG 146 11.600 -18.611 -5.219 1096 HH12 ARG 146 2HH1 ARG 146 11.977 -20.241 -4.850 1097 HH21 ARG 146 1HH2 ARG 146 14.132 -20.664 -7.693 1098 HH22 ARG 146 2HH2 ARG 146 13.282 -21.493 -6.436 1099 H GLU 147 H GLU 147 13.657 -10.967 -8.676 1100 HA GLU 147 HA GLU 147 13.580 -11.625 -11.463 1101 HB2 GLU 147 1HB GLU 147 14.753 -9.244 -9.947 1102 HB3 GLU 147 2HB GLU 147 14.609 -9.386 -11.695 1103 HG2 GLU 147 1HG GLU 147 12.087 -9.585 -11.365 1104 HG3 GLU 147 2HG GLU 147 12.380 -9.084 -9.684 1105 H ASN 148 H ASN 148 16.072 -11.357 -9.029 1106 HA ASN 148 HA ASN 148 18.311 -11.992 -10.851 1107 HB2 ASN 148 1HB ASN 148 19.483 -10.043 -9.688 1108 HB3 ASN 148 2HB ASN 148 18.220 -9.651 -10.851 1109 HD21 ASN 148 1HD2 ASN 148 17.699 -7.554 -10.056 1110 HD22 ASN 148 2HD2 ASN 148 16.911 -7.380 -8.525 1111 H ARG 149 H ARG 149 16.709 -13.068 -8.203 1112 HA ARG 149 HA ARG 149 17.156 -14.029 -6.258 1113 HB2 ARG 149 1HB ARG 149 18.317 -15.439 -8.367 1114 HB3 ARG 149 2HB ARG 149 19.653 -15.330 -7.256 1115 HG2 ARG 149 1HG ARG 149 18.735 -17.178 -6.322 1116 HG3 ARG 149 2HG ARG 149 17.656 -16.051 -5.502 1117 HD2 ARG 149 1HD ARG 149 16.042 -17.374 -6.476 1118 HD3 ARG 149 2HD ARG 149 16.308 -16.290 -7.841 1119 HE ARG 149 HE ARG 149 17.489 -17.939 -8.978 1120 HH11 ARG 149 1HH1 ARG 149 16.740 -19.098 -5.659 1121 HH12 ARG 149 2HH1 ARG 149 17.216 -20.718 -6.022 1122 HH21 ARG 149 1HH2 ARG 149 18.101 -20.163 -9.376 1123 HH22 ARG 149 2HH2 ARG 149 17.944 -21.301 -8.078 Start of MODEL 7 1 H1 MET 1 H MET 1 -16.173 -5.804 9.114 2 HA MET 1 HA MET 1 -16.268 -4.863 6.326 3 HB2 MET 1 1HB MET 1 -18.053 -4.470 8.769 4 HB3 MET 1 2HB MET 1 -18.256 -3.580 7.268 5 HG2 MET 1 1HG MET 1 -18.484 -5.825 6.096 6 HG3 MET 1 2HG MET 1 -18.564 -6.568 7.689 7 HE1 MET 1 3HE MET 1 -20.600 -4.988 4.815 8 HE2 MET 1 1HE MET 1 -20.630 -6.704 5.261 9 HE3 MET 1 2HE MET 1 -22.102 -5.714 5.418 10 H ALA 2 H ALA 2 -14.230 -3.721 6.274 11 HA ALA 2 HA ALA 2 -14.419 -1.069 7.426 12 HB1 ALA 2 1HB ALA 2 -13.042 -2.286 9.150 13 HB2 ALA 2 2HB ALA 2 -11.886 -2.719 7.861 14 HB3 ALA 2 3HB ALA 2 -12.142 -1.021 8.290 15 H HIS 3 H HIS 3 -13.001 0.405 6.192 16 HA HIS 3 HA HIS 3 -12.475 -0.631 3.462 17 HB2 HIS 3 1HB HIS 3 -12.759 2.187 4.595 18 HB3 HIS 3 2HB HIS 3 -12.332 1.822 2.929 19 HD1 HIS 3 1HD HIS 3 -15.286 2.843 4.571 20 HD2 HIS 3 2HD HIS 3 -14.246 -0.247 1.885 21 HE1 HIS 3 1HE HIS 3 -17.453 2.131 3.375 22 H ILE 4 H ILE 4 -10.481 -0.668 2.541 23 HA ILE 4 HA ILE 4 -8.363 0.950 3.778 24 HB ILE 4 HB ILE 4 -6.704 -0.780 3.462 25 HG12 ILE 4 1HG1 ILE 4 -8.968 -2.751 2.988 26 HG13 ILE 4 2HG1 ILE 4 -7.929 -2.115 1.722 27 HG21 ILE 4 1HG2 ILE 4 -8.891 -1.830 5.300 28 HG22 ILE 4 2HG2 ILE 4 -7.130 -1.978 5.488 29 HG23 ILE 4 3HG2 ILE 4 -7.906 -0.404 5.648 30 HD11 ILE 4 3HD1 ILE 4 -6.965 -4.186 2.315 31 HD12 ILE 4 1HD1 ILE 4 -5.920 -2.978 3.067 32 HD13 ILE 4 2HD1 ILE 4 -7.094 -3.872 4.059 33 H PHE 5 H PHE 5 -6.463 0.979 2.214 34 HA PHE 5 HA PHE 5 -7.367 1.188 -0.609 35 HB2 PHE 5 1HB PHE 5 -7.443 3.381 0.452 36 HB3 PHE 5 2HB PHE 5 -5.821 3.171 1.112 37 HD1 PHE 5 2HD PHE 5 -7.715 3.278 -2.099 38 HD2 PHE 5 1HD PHE 5 -3.943 3.920 -0.134 39 HE1 PHE 5 2HE PHE 5 -6.812 4.245 -4.179 40 HE2 PHE 5 1HE PHE 5 -3.021 4.899 -2.242 41 HZ PHE 5 HZ PHE 5 -4.466 5.121 -4.234 42 H VAL 6 H VAL 6 -5.903 0.278 -2.034 43 HA VAL 6 HA VAL 6 -3.746 -1.242 -0.896 44 HB VAL 6 HB VAL 6 -3.171 -1.828 -3.257 45 HG11 VAL 6 1HG1 VAL 6 -4.569 -3.248 -1.890 46 HG12 VAL 6 2HG1 VAL 6 -5.993 -2.280 -2.261 47 HG13 VAL 6 3HG1 VAL 6 -5.203 -3.230 -3.544 48 HG21 VAL 6 3HG2 VAL 6 -3.948 -0.024 -4.601 49 HG22 VAL 6 1HG2 VAL 6 -5.053 -1.383 -4.932 50 HG23 VAL 6 2HG2 VAL 6 -5.559 -0.079 -3.881 51 H TYR 7 H TYR 7 -1.924 -0.556 -0.271 52 HA TYR 7 HA TYR 7 -0.656 1.875 -0.732 53 HB2 TYR 7 1HB TYR 7 0.036 0.641 1.096 54 HB3 TYR 7 2HB TYR 7 0.042 -0.879 0.226 55 HD1 TYR 7 1HD TYR 7 1.846 2.410 -0.156 56 HD2 TYR 7 2HD TYR 7 2.090 -1.894 0.126 57 HE1 TYR 7 1HE TYR 7 4.299 2.506 -0.595 58 HE2 TYR 7 2HE TYR 7 4.510 -1.798 -0.330 59 HH TYR 7 HH TYR 7 6.406 -0.079 -0.206 60 H GLY 8 H GLY 8 -0.396 -1.143 -2.648 61 HA2 GLY 8 2HA GLY 8 0.145 -0.011 -5.162 62 HA3 GLY 8 1HA GLY 8 1.703 -0.162 -4.380 63 H THR 9 H THR 9 1.413 -2.434 -2.848 64 HA THR 9 HA THR 9 2.267 -4.385 -4.565 65 HB THR 9 HB THR 9 1.840 -5.725 -2.261 66 HG1 THR 9 1HG THR 9 1.248 -4.482 -0.680 67 HG21 THR 9 3HG2 THR 9 4.051 -5.019 -3.233 68 HG22 THR 9 1HG2 THR 9 3.979 -4.834 -1.480 69 HG23 THR 9 2HG2 THR 9 3.812 -3.407 -2.513 70 H LEU 10 H LEU 10 -1.042 -3.696 -4.048 71 HA LEU 10 HA LEU 10 -1.770 -6.310 -5.235 72 HB2 LEU 10 1HB LEU 10 -3.592 -5.082 -3.171 73 HB3 LEU 10 2HB LEU 10 -3.568 -6.687 -3.850 74 HG LEU 10 HG LEU 10 -1.173 -6.812 -2.613 75 HD11 LEU 10 1HD1 LEU 10 -2.703 -4.593 -1.193 76 HD12 LEU 10 2HD1 LEU 10 -1.011 -4.623 -1.666 77 HD13 LEU 10 3HD1 LEU 10 -1.553 -5.623 -0.328 78 HD21 LEU 10 3HD2 LEU 10 -3.017 -8.327 -2.245 79 HD22 LEU 10 1HD2 LEU 10 -3.814 -7.152 -1.163 80 HD23 LEU 10 2HD2 LEU 10 -2.230 -7.865 -0.736 81 H LYS 11 H LYS 11 -1.325 -3.650 -6.446 82 HA LYS 11 HA LYS 11 -4.052 -3.462 -7.662 83 HB2 LYS 11 1HB LYS 11 -3.536 -1.450 -6.413 84 HB3 LYS 11 2HB LYS 11 -2.072 -1.189 -7.299 85 HG2 LYS 11 1HG LYS 11 -4.444 -1.529 -9.062 86 HG3 LYS 11 2HG LYS 11 -4.645 -0.215 -7.896 87 HD2 LYS 11 1HD LYS 11 -2.570 0.833 -8.622 88 HD3 LYS 11 2HD LYS 11 -2.261 -0.498 -9.761 89 HE2 LYS 11 1HE LYS 11 -4.348 0.073 -10.981 90 HE3 LYS 11 2HE LYS 11 -4.621 1.408 -9.864 91 HZ1 LYS 11 3HZ LYS 11 -3.543 2.263 -11.757 92 HZ2 LYS 11 1HZ LYS 11 -2.358 1.147 -11.754 93 HZ3 LYS 11 2HZ LYS 11 -2.415 2.294 -10.575 94 H ARG 12 H ARG 12 -0.982 -2.103 -8.807 95 HA ARG 12 HA ARG 12 -1.314 -2.686 -11.414 96 HB2 ARG 12 1HB ARG 12 1.041 -2.141 -9.687 97 HB3 ARG 12 2HB ARG 12 1.443 -2.879 -11.205 98 HG2 ARG 12 1HG ARG 12 -0.123 -0.289 -10.858 99 HG3 ARG 12 2HG ARG 12 1.584 -0.430 -11.249 100 HD2 ARG 12 1HD ARG 12 -0.786 -1.176 -12.992 101 HD3 ARG 12 2HD ARG 12 0.467 0.045 -13.269 102 HE ARG 12 HE ARG 12 1.807 -2.419 -13.075 103 HH11 ARG 12 1HH1 ARG 12 -0.084 -0.434 -15.298 104 HH12 ARG 12 2HH1 ARG 12 0.609 -1.155 -16.700 105 HH21 ARG 12 1HH2 ARG 12 2.172 -3.806 -14.879 106 HH22 ARG 12 2HH2 ARG 12 2.103 -3.015 -16.430 107 H GLY 13 H GLY 13 1.351 -4.689 -10.193 108 HA2 GLY 13 2HA GLY 13 0.023 -7.213 -10.915 109 HA3 GLY 13 1HA GLY 13 1.265 -6.606 -12.010 110 H GLN 14 H GLN 14 1.708 -5.746 -8.755 111 HA GLN 14 HA GLN 14 4.219 -6.918 -8.329 112 HB2 GLN 14 1HB GLN 14 2.055 -5.773 -6.561 113 HB3 GLN 14 2HB GLN 14 3.335 -6.675 -5.790 114 HG2 GLN 14 1HG GLN 14 4.094 -4.499 -5.691 115 HG3 GLN 14 2HG GLN 14 5.038 -5.208 -6.979 116 HE21 GLN 14 1HE2 GLN 14 1.627 -4.151 -7.540 117 HE22 GLN 14 2HE2 GLN 14 2.097 -2.720 -8.375 118 HA PRO 15 HA PRO 15 3.687 -11.120 -7.642 119 HB2 PRO 15 1HB PRO 15 5.459 -11.711 -5.565 120 HB3 PRO 15 2HB PRO 15 5.964 -11.242 -7.222 121 HG2 PRO 15 1HG PRO 15 5.635 -9.504 -4.760 122 HG3 PRO 15 2HG PRO 15 7.045 -9.576 -5.862 123 HD2 PRO 15 1HD PRO 15 5.231 -7.660 -6.137 124 HD3 PRO 15 2HD PRO 15 5.896 -8.460 -7.585 125 H ASN 16 H ASN 16 2.356 -9.061 -5.386 126 HA ASN 16 HA ASN 16 1.731 -11.141 -3.382 127 HB2 ASN 16 1HB ASN 16 1.418 -8.178 -2.876 128 HB3 ASN 16 2HB ASN 16 1.665 -9.489 -1.743 129 HD21 ASN 16 1HD2 ASN 16 3.206 -6.988 -3.399 130 HD22 ASN 16 2HD2 ASN 16 4.874 -7.503 -3.169 131 H HIS 17 H HIS 17 0.225 -9.453 -6.021 132 HA HIS 17 HA HIS 17 -2.086 -8.448 -4.721 133 HB2 HIS 17 1HB HIS 17 -1.300 -8.037 -7.137 134 HB3 HIS 17 2HB HIS 17 -1.965 -9.605 -7.554 135 HD1 HIS 17 1HD HIS 17 -2.957 -6.435 -8.521 136 HD2 HIS 17 2HD HIS 17 -4.898 -9.465 -6.337 137 HE1 HIS 17 1HE HIS 17 -5.390 -5.959 -8.656 138 H LYS 18 H LYS 18 -1.518 -11.688 -6.092 139 HA LYS 18 HA LYS 18 -3.966 -12.963 -5.535 140 HB2 LYS 18 1HB LYS 18 -2.723 -15.002 -5.641 141 HB3 LYS 18 2HB LYS 18 -2.100 -13.876 -6.822 142 HG2 LYS 18 1HG LYS 18 -0.156 -14.772 -6.016 143 HG3 LYS 18 2HG LYS 18 -0.240 -13.332 -5.008 144 HD2 LYS 18 1HD LYS 18 -0.998 -14.677 -3.100 145 HD3 LYS 18 2HD LYS 18 -1.298 -16.056 -4.160 146 HE2 LYS 18 1HE LYS 18 1.190 -16.052 -4.687 147 HE3 LYS 18 2HE LYS 18 1.402 -14.846 -3.409 148 HZ1 LYS 18 3HZ LYS 18 1.762 -17.197 -2.712 149 HZ2 LYS 18 1HZ LYS 18 0.188 -17.513 -2.978 150 HZ3 LYS 18 2HZ LYS 18 0.595 -16.450 -1.812 151 H VAL 19 H VAL 19 -1.783 -11.780 -2.957 152 HA VAL 19 HA VAL 19 -2.680 -13.777 -1.081 153 HB VAL 19 HB VAL 19 -1.892 -12.285 0.655 154 HG11 VAL 19 1HG1 VAL 19 0.438 -12.168 0.067 155 HG12 VAL 19 2HG1 VAL 19 -0.271 -13.639 -0.621 156 HG13 VAL 19 3HG1 VAL 19 0.066 -12.243 -1.670 157 HG21 VAL 19 3HG2 VAL 19 -2.265 -10.102 0.436 158 HG22 VAL 19 1HG2 VAL 19 -0.698 -10.060 -0.365 159 HG23 VAL 19 2HG2 VAL 19 -2.194 -10.142 -1.323 160 H MET 20 H MET 20 -4.445 -11.066 -2.555 161 HA MET 20 HA MET 20 -6.232 -11.065 -0.201 162 HB2 MET 20 1HB MET 20 -7.288 -9.174 -1.055 163 HB3 MET 20 2HB MET 20 -5.566 -8.864 -1.074 164 HG2 MET 20 1HG MET 20 -5.452 -8.869 -3.404 165 HG3 MET 20 2HG MET 20 -6.851 -9.919 -3.565 166 HE1 MET 20 3HE MET 20 -7.064 -6.586 -1.394 167 HE2 MET 20 1HE MET 20 -5.724 -6.362 -2.552 168 HE3 MET 20 2HE MET 20 -7.214 -5.410 -2.716 169 H LEU 21 H LEU 21 -5.759 -13.005 -2.823 170 HA LEU 21 HA LEU 21 -8.464 -13.151 -3.816 171 HB2 LEU 21 1HB LEU 21 -5.822 -14.399 -4.689 172 HB3 LEU 21 2HB LEU 21 -7.360 -14.711 -5.411 173 HG LEU 21 HG LEU 21 -7.711 -12.441 -5.925 174 HD11 LEU 21 1HD1 LEU 21 -6.655 -10.742 -5.455 175 HD12 LEU 21 2HD1 LEU 21 -5.156 -11.415 -6.109 176 HD13 LEU 21 3HD1 LEU 21 -5.586 -11.735 -4.435 177 HD21 LEU 21 3HD2 LEU 21 -5.262 -13.698 -7.147 178 HD22 LEU 21 1HD2 LEU 21 -6.163 -12.341 -7.864 179 HD23 LEU 21 2HD2 LEU 21 -6.950 -13.929 -7.673 180 H ASP 22 H ASP 22 -7.261 -14.310 -1.026 181 HA ASP 22 HA ASP 22 -8.525 -16.996 -1.317 182 HB2 ASP 22 1HB ASP 22 -6.013 -17.087 -1.346 183 HB3 ASP 22 2HB ASP 22 -5.988 -16.395 0.268 184 H HIS 23 H HIS 23 -10.389 -16.687 -0.200 185 HA HIS 23 HA HIS 23 -10.862 -14.812 1.752 186 HB2 HIS 23 1HB HIS 23 -12.543 -16.060 0.496 187 HB3 HIS 23 2HB HIS 23 -12.148 -17.528 1.386 188 HD1 HIS 23 1HD HIS 23 -13.660 -17.909 3.516 189 HD2 HIS 23 2HD HIS 23 -13.241 -13.939 2.227 190 HE1 HIS 23 1HE HIS 23 -15.316 -16.550 4.893 191 H SER 24 H SER 24 -9.211 -17.807 2.263 192 HA SER 24 HA SER 24 -9.497 -17.812 5.183 193 HB2 SER 24 1HB SER 24 -7.635 -19.308 3.482 194 HB3 SER 24 2HB SER 24 -7.851 -19.535 5.231 195 HG SER 24 HG SER 24 -9.503 -20.246 3.124 196 H HIS 25 H HIS 25 -7.359 -16.163 2.888 197 HA HIS 25 HA HIS 25 -5.550 -15.247 5.016 198 HB2 HIS 25 1HB HIS 25 -5.953 -14.263 2.155 199 HB3 HIS 25 2HB HIS 25 -4.828 -13.634 3.329 200 HD1 HIS 25 1HD HIS 25 -3.542 -14.282 0.916 201 HD2 HIS 25 2HD HIS 25 -4.071 -17.030 4.046 202 HE1 HIS 25 1HE HIS 25 -1.550 -15.928 0.783 203 H GLY 26 H GLY 26 -8.346 -14.127 2.945 204 HA2 GLY 26 2HA GLY 26 -10.056 -13.342 4.885 205 HA3 GLY 26 1HA GLY 26 -8.955 -11.964 4.803 206 H LEU 27 H LEU 27 -11.323 -11.268 4.292 207 HA LEU 27 HA LEU 27 -12.205 -11.543 1.543 208 HB2 LEU 27 1HB LEU 27 -13.660 -11.288 3.618 209 HB3 LEU 27 2HB LEU 27 -13.002 -9.663 3.777 210 HG LEU 27 HG LEU 27 -13.959 -9.128 1.464 211 HD11 LEU 27 1HD1 LEU 27 -15.745 -10.722 0.690 212 HD12 LEU 27 2HD1 LEU 27 -15.148 -11.912 1.895 213 HD13 LEU 27 3HD1 LEU 27 -14.117 -11.380 0.572 214 HD21 LEU 27 3HD2 LEU 27 -15.877 -9.987 3.661 215 HD22 LEU 27 1HD2 LEU 27 -16.298 -8.964 2.253 216 HD23 LEU 27 2HD2 LEU 27 -15.129 -8.398 3.441 217 H ALA 28 H ALA 28 -11.870 -10.066 -0.127 218 HA ALA 28 HA ALA 28 -11.439 -7.283 0.508 219 HB1 ALA 28 1HB ALA 28 -9.535 -6.990 -1.039 220 HB2 ALA 28 2HB ALA 28 -9.089 -8.025 0.331 221 HB3 ALA 28 3HB ALA 28 -9.453 -8.753 -1.256 222 H ALA 29 H ALA 29 -12.958 -6.277 -0.732 223 HA ALA 29 HA ALA 29 -13.684 -7.469 -3.381 224 HB1 ALA 29 1HB ALA 29 -15.966 -6.718 -2.921 225 HB2 ALA 29 2HB ALA 29 -15.408 -7.802 -1.638 226 HB3 ALA 29 3HB ALA 29 -15.468 -6.046 -1.359 227 H PHE 30 H PHE 30 -13.456 -6.150 -5.084 228 HA PHE 30 HA PHE 30 -12.175 -3.601 -4.917 229 HB2 PHE 30 1HB PHE 30 -11.747 -5.059 -6.787 230 HB3 PHE 30 2HB PHE 30 -13.455 -5.142 -7.194 231 HD1 PHE 30 2HD PHE 30 -10.615 -2.674 -6.956 232 HD2 PHE 30 1HD PHE 30 -14.407 -3.654 -8.780 233 HE1 PHE 30 2HE PHE 30 -10.373 -0.789 -8.528 234 HE2 PHE 30 1HE PHE 30 -14.151 -1.757 -10.331 235 HZ PHE 30 HZ PHE 30 -12.118 -0.369 -10.277 236 H ARG 31 H ARG 31 -13.342 -2.130 -3.829 237 HA ARG 31 HA ARG 31 -16.106 -1.406 -4.757 238 HB2 ARG 31 1HB ARG 31 -14.443 -0.934 -2.257 239 HB3 ARG 31 2HB ARG 31 -15.813 0.106 -2.610 240 HG2 ARG 31 1HG ARG 31 -15.951 -2.857 -2.020 241 HG3 ARG 31 2HG ARG 31 -16.439 -1.453 -1.019 242 HD2 ARG 31 1HD ARG 31 -18.032 -0.800 -2.821 243 HD3 ARG 31 2HD ARG 31 -17.758 -2.385 -3.582 244 HE ARG 31 HE ARG 31 -18.333 -3.102 -1.026 245 HH11 ARG 31 1HH1 ARG 31 -20.004 -0.855 -3.205 246 HH12 ARG 31 2HH1 ARG 31 -21.317 -0.547 -2.122 247 HH21 ARG 31 1HH2 ARG 31 -20.183 -3.180 0.083 248 HH22 ARG 31 2HH2 ARG 31 -21.579 -2.162 -0.263 249 H GLY 32 H GLY 32 -14.522 -0.926 -6.725 250 HA2 GLY 32 2HA GLY 32 -14.249 0.937 -8.115 251 HA3 GLY 32 1HA GLY 32 -14.736 1.955 -6.780 252 H ARG 33 H ARG 33 -13.079 3.399 -7.270 253 HA ARG 33 HA ARG 33 -10.272 2.390 -7.051 254 HB2 ARG 33 1HB ARG 33 -11.092 4.329 -9.228 255 HB3 ARG 33 2HB ARG 33 -9.589 3.428 -9.032 256 HG2 ARG 33 1HG ARG 33 -10.766 1.316 -9.449 257 HG3 ARG 33 2HG ARG 33 -12.264 2.185 -9.778 258 HD2 ARG 33 1HD ARG 33 -9.640 2.593 -11.228 259 HD3 ARG 33 2HD ARG 33 -10.976 1.597 -11.824 260 HE ARG 33 HE ARG 33 -11.906 4.249 -11.274 261 HH11 ARG 33 1HH1 ARG 33 -10.090 2.416 -13.710 262 HH12 ARG 33 2HH1 ARG 33 -10.249 3.680 -14.908 263 HH21 ARG 33 1HH2 ARG 33 -12.650 5.431 -13.154 264 HH22 ARG 33 2HH2 ARG 33 -11.687 5.385 -14.578 265 H GLY 34 H GLY 34 -8.579 4.409 -6.992 266 HA2 GLY 34 2HA GLY 34 -9.478 6.886 -6.084 267 HA3 GLY 34 1HA GLY 34 -9.239 5.853 -4.655 268 H CYS 35 H CYS 35 -7.825 8.039 -4.700 269 HA CYS 35 HA CYS 35 -5.058 7.083 -5.072 270 HB2 CYS 35 1HB CYS 35 -4.495 9.369 -5.938 271 HB3 CYS 35 2HB CYS 35 -5.413 8.380 -7.083 272 HG CYS 35 HG CYS 35 -5.802 11.229 -6.429 273 H THR 36 H THR 36 -3.525 8.300 -3.631 274 HA THR 36 HA THR 36 -4.814 9.200 -1.177 275 HB THR 36 HB THR 36 -2.582 9.671 -0.397 276 HG1 THR 36 1HG THR 36 -1.409 10.391 -1.841 277 HG21 THR 36 3HG2 THR 36 -2.548 7.030 -1.882 278 HG22 THR 36 1HG2 THR 36 -3.332 7.307 -0.307 279 HG23 THR 36 2HG2 THR 36 -1.577 7.471 -0.472 280 H VAL 37 H VAL 37 -5.750 11.193 -1.049 281 HA VAL 37 HA VAL 37 -5.254 13.206 -3.076 282 HB VAL 37 HB VAL 37 -6.421 13.886 -0.367 283 HG11 VAL 37 1HG1 VAL 37 -6.083 15.525 -2.255 284 HG12 VAL 37 2HG1 VAL 37 -7.288 14.603 -3.192 285 HG13 VAL 37 3HG1 VAL 37 -7.737 15.399 -1.659 286 HG21 VAL 37 3HG2 VAL 37 -8.677 13.108 -1.243 287 HG22 VAL 37 1HG2 VAL 37 -7.767 12.164 -2.448 288 HG23 VAL 37 2HG2 VAL 37 -7.564 11.846 -0.704 289 H GLU 38 H GLU 38 -4.352 12.584 0.244 290 HA GLU 38 HA GLU 38 -2.342 14.581 0.700 291 HB2 GLU 38 1HB GLU 38 -3.310 11.955 1.841 292 HB3 GLU 38 2HB GLU 38 -1.650 12.410 2.177 293 HG2 GLU 38 1HG GLU 38 -2.188 14.198 3.494 294 HG3 GLU 38 2HG GLU 38 -3.648 14.543 2.616 295 H SER 39 H SER 39 -0.453 14.726 -0.439 296 HA SER 39 HA SER 39 0.718 12.635 -1.982 297 HB2 SER 39 1HB SER 39 2.241 14.734 -0.481 298 HB3 SER 39 2HB SER 39 2.569 14.119 -2.088 299 HG SER 39 HG SER 39 1.102 15.495 -2.899 300 H PHE 40 H PHE 40 2.498 11.127 -1.267 301 HA PHE 40 HA PHE 40 3.349 11.307 1.555 302 HB2 PHE 40 1HB PHE 40 2.018 8.855 0.259 303 HB3 PHE 40 2HB PHE 40 3.166 8.714 1.559 304 HD1 PHE 40 2HD PHE 40 2.711 9.666 3.835 305 HD2 PHE 40 1HD PHE 40 -0.232 9.580 0.699 306 HE1 PHE 40 2HE PHE 40 0.903 10.149 5.496 307 HE2 PHE 40 1HE PHE 40 -2.023 9.956 2.363 308 HZ PHE 40 HZ PHE 40 -1.488 10.230 4.744 309 HA PRO 41 HA PRO 41 7.046 10.409 -0.841 310 HB2 PRO 41 1HB PRO 41 8.726 9.687 1.275 311 HB3 PRO 41 2HB PRO 41 8.212 11.396 0.933 312 HG2 PRO 41 1HG PRO 41 7.042 9.321 2.776 313 HG3 PRO 41 2HG PRO 41 7.425 11.035 3.194 314 HD2 PRO 41 1HD PRO 41 4.949 10.270 2.671 315 HD3 PRO 41 2HD PRO 41 5.575 11.804 1.970 316 H LEU 42 H LEU 42 6.151 8.493 -2.001 317 HA LEU 42 HA LEU 42 6.711 5.943 -0.703 318 HB2 LEU 42 1HB LEU 42 4.859 6.610 -2.509 319 HB3 LEU 42 2HB LEU 42 6.146 6.304 -3.670 320 HG LEU 42 HG LEU 42 4.682 4.439 -1.795 321 HD11 LEU 42 1HD1 LEU 42 5.305 4.258 -4.771 322 HD12 LEU 42 2HD1 LEU 42 3.839 4.976 -4.085 323 HD13 LEU 42 3HD1 LEU 42 4.176 3.244 -3.826 324 HD21 LEU 42 3HD2 LEU 42 6.140 2.578 -2.492 325 HD22 LEU 42 1HD2 LEU 42 6.947 3.731 -1.450 326 HD23 LEU 42 2HD2 LEU 42 7.289 3.734 -3.209 327 H VAL 43 H VAL 43 8.705 4.929 -0.770 328 HA VAL 43 HA VAL 43 10.530 5.557 -3.000 329 HB VAL 43 HB VAL 43 12.433 5.303 -1.208 330 HG11 VAL 43 1HG1 VAL 43 12.878 7.263 -2.024 331 HG12 VAL 43 2HG1 VAL 43 11.185 7.534 -2.472 332 HG13 VAL 43 3HG1 VAL 43 11.745 8.019 -0.862 333 HG21 VAL 43 3HG2 VAL 43 10.412 6.621 0.613 334 HG22 VAL 43 1HG2 VAL 43 10.984 4.926 0.792 335 HG23 VAL 43 2HG2 VAL 43 12.107 6.258 0.968 336 H ILE 44 H ILE 44 11.868 3.966 -3.566 337 HA ILE 44 HA ILE 44 11.445 1.260 -2.440 338 HB ILE 44 HB ILE 44 12.804 2.114 -5.022 339 HG12 ILE 44 1HG1 ILE 44 10.134 0.669 -4.746 340 HG13 ILE 44 2HG1 ILE 44 10.212 2.419 -4.916 341 HG21 ILE 44 1HG2 ILE 44 12.044 -0.610 -3.838 342 HG22 ILE 44 2HG2 ILE 44 12.676 -0.370 -5.491 343 HG23 ILE 44 3HG2 ILE 44 13.684 -0.006 -4.102 344 HD11 ILE 44 3HD1 ILE 44 9.687 1.344 -6.983 345 HD12 ILE 44 1HD1 ILE 44 11.246 2.176 -7.101 346 HD13 ILE 44 2HD1 ILE 44 11.176 0.395 -6.949 347 H ALA 45 H ALA 45 12.433 1.861 -0.515 348 HA ALA 45 HA ALA 45 15.318 2.438 -0.515 349 HB1 ALA 45 1HB ALA 45 13.859 3.425 1.241 350 HB2 ALA 45 2HB ALA 45 13.452 1.773 1.785 351 HB3 ALA 45 3HB ALA 45 15.121 2.362 1.878 352 H GLY 46 H GLY 46 16.354 0.606 1.253 353 HA2 GLY 46 2HA GLY 46 16.453 -1.478 2.187 354 HA3 GLY 46 1HA GLY 46 14.993 -1.958 1.332 355 H GLU 47 H GLU 47 17.747 -3.204 1.709 356 HA GLU 47 HA GLU 47 19.011 -3.136 -0.856 357 HB2 GLU 47 1HB GLU 47 19.923 -3.724 1.603 358 HB3 GLU 47 2HB GLU 47 19.531 -5.356 1.060 359 HG2 GLU 47 1HG GLU 47 21.907 -4.781 0.729 360 HG3 GLU 47 2HG GLU 47 21.102 -5.196 -0.774 361 H HIS 48 H HIS 48 16.176 -4.564 -0.188 362 HA HIS 48 HA HIS 48 16.534 -6.517 -2.382 363 HB2 HIS 48 1HB HIS 48 15.093 -6.809 0.242 364 HB3 HIS 48 2HB HIS 48 14.418 -7.601 -1.148 365 HD1 HIS 48 1HD HIS 48 16.035 -9.326 -2.521 366 HD2 HIS 48 2HD HIS 48 17.091 -8.068 1.350 367 HE1 HIS 48 1HE HIS 48 17.900 -10.892 -1.772 368 H ASN 49 H ASN 49 15.773 -3.550 -2.117 369 HA ASN 49 HA ASN 49 14.305 -2.035 -2.841 370 HB2 ASN 49 1HB ASN 49 13.730 -4.267 -4.758 371 HB3 ASN 49 2HB ASN 49 13.038 -2.669 -4.973 372 HD21 ASN 49 1HD2 ASN 49 15.098 -4.414 -6.455 373 HD22 ASN 49 2HD2 ASN 49 16.411 -3.295 -6.804 374 H ILE 50 H ILE 50 13.303 -2.257 -0.773 375 HA ILE 50 HA ILE 50 10.668 -3.644 -0.667 376 HB ILE 50 HB ILE 50 12.627 -2.973 1.592 377 HG12 ILE 50 1HG1 ILE 50 11.525 -5.703 0.829 378 HG13 ILE 50 2HG1 ILE 50 13.013 -5.118 0.112 379 HG21 ILE 50 1HG2 ILE 50 10.952 -3.963 3.103 380 HG22 ILE 50 2HG2 ILE 50 10.254 -2.589 2.257 381 HG23 ILE 50 3HG2 ILE 50 9.865 -4.236 1.729 382 HD11 ILE 50 3HD1 ILE 50 13.520 -6.546 2.012 383 HD12 ILE 50 1HD1 ILE 50 14.037 -4.882 2.360 384 HD13 ILE 50 2HD1 ILE 50 12.550 -5.537 3.086 385 HA PRO 51 HA PRO 51 10.353 0.884 -0.758 386 HB2 PRO 51 1HB PRO 51 7.877 1.172 -2.006 387 HB3 PRO 51 2HB PRO 51 9.392 1.110 -2.851 388 HG2 PRO 51 1HG PRO 51 7.444 -1.141 -2.393 389 HG3 PRO 51 2HG PRO 51 8.398 -0.755 -3.856 390 HD2 PRO 51 1HD PRO 51 9.145 -2.728 -2.074 391 HD3 PRO 51 2HD PRO 51 10.309 -1.757 -3.022 392 H TRP 52 H TRP 52 9.176 2.211 0.616 393 HA TRP 52 HA TRP 52 7.451 0.765 2.564 394 HB2 TRP 52 1HB TRP 52 9.457 2.996 3.035 395 HB3 TRP 52 2HB TRP 52 8.390 2.325 4.257 396 HD1 TRP 52 HD TRP 52 11.312 1.276 2.039 397 HE1 TRP 52 1HE TRP 52 12.513 -0.708 3.054 398 HE3 TRP 52 3HE TRP 52 8.171 0.373 5.981 399 HZ2 TRP 52 2HZ TRP 52 12.176 -2.499 5.314 400 HZ3 TRP 52 3HZ TRP 52 8.630 -1.458 7.545 401 HH2 TRP 52 HH TRP 52 10.643 -2.920 7.247 402 H LEU 53 H LEU 53 6.527 2.901 4.025 403 HA LEU 53 HA LEU 53 5.680 4.976 2.226 404 HB2 LEU 53 1HB LEU 53 3.888 3.065 2.075 405 HB3 LEU 53 2HB LEU 53 3.479 3.508 3.729 406 HG LEU 53 HG LEU 53 3.317 5.946 2.766 407 HD11 LEU 53 1HD1 LEU 53 4.295 5.312 0.491 408 HD12 LEU 53 2HD1 LEU 53 2.739 6.179 0.439 409 HD13 LEU 53 3HD1 LEU 53 2.806 4.430 0.179 410 HD21 LEU 53 3HD2 LEU 53 1.270 3.833 2.023 411 HD22 LEU 53 1HD2 LEU 53 0.978 5.585 2.145 412 HD23 LEU 53 2HD2 LEU 53 1.411 4.653 3.588 413 H LEU 54 H LEU 54 6.761 6.385 3.341 414 HA LEU 54 HA LEU 54 6.966 6.384 6.247 415 HB2 LEU 54 1HB LEU 54 7.775 8.701 4.541 416 HB3 LEU 54 2HB LEU 54 8.491 8.182 6.011 417 HG LEU 54 HG LEU 54 8.871 7.136 3.231 418 HD11 LEU 54 1HD1 LEU 54 11.245 7.617 3.671 419 HD12 LEU 54 2HD1 LEU 54 10.839 8.163 5.309 420 HD13 LEU 54 3HD1 LEU 54 10.227 9.038 3.894 421 HD21 LEU 54 3HD2 LEU 54 8.735 5.064 4.454 422 HD22 LEU 54 1HD2 LEU 54 9.704 5.689 5.772 423 HD23 LEU 54 2HD2 LEU 54 10.436 5.392 4.175 424 H TYR 55 H TYR 55 5.411 7.387 7.531 425 HA TYR 55 HA TYR 55 3.142 8.617 6.221 426 HB2 TYR 55 1HB TYR 55 3.032 7.280 8.344 427 HB3 TYR 55 2HB TYR 55 3.739 8.618 9.202 428 HD1 TYR 55 1HD TYR 55 0.879 8.038 6.758 429 HD2 TYR 55 2HD TYR 55 2.233 10.024 10.332 430 HE1 TYR 55 1HE TYR 55 -1.382 8.967 7.086 431 HE2 TYR 55 2HE TYR 55 -0.042 10.945 10.672 432 HH TYR 55 HH TYR 55 -2.608 10.776 8.256 433 H LEU 56 H LEU 56 3.986 10.382 5.036 434 HA LEU 56 HA LEU 56 4.338 12.842 6.678 435 HB2 LEU 56 1HB LEU 56 6.495 11.836 5.548 436 HB3 LEU 56 2HB LEU 56 5.837 12.450 4.095 437 HG LEU 56 HG LEU 56 7.035 14.258 4.552 438 HD11 LEU 56 1HD1 LEU 56 4.734 15.188 4.833 439 HD12 LEU 56 2HD1 LEU 56 5.975 16.092 5.697 440 HD13 LEU 56 3HD1 LEU 56 4.906 14.998 6.590 441 HD21 LEU 56 3HD2 LEU 56 7.854 14.995 6.738 442 HD22 LEU 56 1HD2 LEU 56 8.236 13.304 6.431 443 HD23 LEU 56 2HD2 LEU 56 6.892 13.718 7.530 444 HA PRO 57 HA PRO 57 0.809 12.986 3.646 445 HB2 PRO 57 1HB PRO 57 -0.834 14.587 5.221 446 HB3 PRO 57 2HB PRO 57 -0.820 12.795 5.187 447 HG2 PRO 57 1HG PRO 57 0.465 14.670 7.137 448 HG3 PRO 57 2HG PRO 57 -0.342 13.104 7.462 449 HD2 PRO 57 1HD PRO 57 2.374 13.384 7.368 450 HD3 PRO 57 2HD PRO 57 1.555 11.886 6.840 451 H GLY 58 H GLY 58 1.166 14.293 2.044 452 HA2 GLY 58 2HA GLY 58 0.830 16.375 0.961 453 HA3 GLY 58 1HA GLY 58 1.358 17.245 2.394 454 H LYS 59 H LYS 59 3.630 14.735 1.982 455 HA LYS 59 HA LYS 59 5.388 16.347 0.179 456 HB2 LYS 59 1HB LYS 59 5.795 14.590 2.623 457 HB3 LYS 59 2HB LYS 59 7.041 14.624 1.399 458 HG2 LYS 59 1HG LYS 59 7.511 16.255 3.169 459 HG3 LYS 59 2HG LYS 59 7.313 16.983 1.565 460 HD2 LYS 59 1HD LYS 59 5.304 17.996 2.054 461 HD3 LYS 59 2HD LYS 59 4.942 16.904 3.400 462 HE2 LYS 59 1HE LYS 59 6.466 17.977 4.856 463 HE3 LYS 59 2HE LYS 59 7.241 18.867 3.550 464 HZ1 LYS 59 3HZ LYS 59 5.233 20.138 3.270 465 HZ2 LYS 59 1HZ LYS 59 5.582 20.150 4.889 466 HZ3 LYS 59 2HZ LYS 59 4.401 19.177 4.314 467 H GLY 60 H GLY 60 6.907 14.859 -1.120 468 HA2 GLY 60 2HA GLY 60 7.611 12.752 -1.756 469 HA3 GLY 60 1HA GLY 60 6.240 12.130 -0.883 470 H HIS 61 H HIS 61 4.666 13.706 -2.506 471 HA HIS 61 HA HIS 61 3.429 14.164 -4.447 472 HB2 HIS 61 1HB HIS 61 4.615 11.805 -5.861 473 HB3 HIS 61 2HB HIS 61 3.740 13.164 -6.541 474 HD1 HIS 61 1HD HIS 61 5.240 15.599 -6.561 475 HD2 HIS 61 2HD HIS 61 7.163 11.951 -5.739 476 HE1 HIS 61 1HE HIS 61 7.739 16.047 -6.773 477 H CYS 62 H CYS 62 1.568 12.799 -5.596 478 HA CYS 62 HA CYS 62 0.182 11.355 -3.441 479 HB2 CYS 62 1HB CYS 62 -0.545 11.762 -6.361 480 HB3 CYS 62 2HB CYS 62 -1.594 11.140 -5.086 481 HG CYS 62 HG CYS 62 -2.277 13.644 -5.642 482 H VAL 63 H VAL 63 -0.879 9.231 -3.893 483 HA VAL 63 HA VAL 63 0.869 7.403 -5.429 484 HB VAL 63 HB VAL 63 -0.171 6.962 -2.608 485 HG11 VAL 63 1HG1 VAL 63 -0.024 4.888 -3.891 486 HG12 VAL 63 2HG1 VAL 63 1.603 5.316 -4.450 487 HG13 VAL 63 3HG1 VAL 63 1.315 4.945 -2.729 488 HG21 VAL 63 3HG2 VAL 63 2.268 7.023 -1.959 489 HG22 VAL 63 1HG2 VAL 63 2.652 7.607 -3.594 490 HG23 VAL 63 2HG2 VAL 63 1.686 8.595 -2.503 491 H THR 64 H THR 64 -0.436 6.866 -7.071 492 HA THR 64 HA THR 64 -3.332 6.876 -6.793 493 HB THR 64 HB THR 64 -3.273 6.095 -9.132 494 HG1 THR 64 1HG THR 64 -0.854 6.462 -9.908 495 HG21 THR 64 3HG2 THR 64 -3.191 8.498 -8.579 496 HG22 THR 64 1HG2 THR 64 -2.352 8.107 -10.089 497 HG23 THR 64 2HG2 THR 64 -1.411 8.448 -8.622 498 H GLY 65 H GLY 65 -4.778 4.937 -7.048 499 HA2 GLY 65 2HA GLY 65 -3.693 2.282 -6.822 500 HA3 GLY 65 1HA GLY 65 -4.195 2.936 -5.258 501 H GLU 66 H GLU 66 -5.950 1.439 -5.079 502 HA GLU 66 HA GLU 66 -8.360 2.031 -6.523 503 HB2 GLU 66 1HB GLU 66 -6.874 -0.603 -6.741 504 HB3 GLU 66 2HB GLU 66 -8.636 -0.591 -6.801 505 HG2 GLU 66 1HG GLU 66 -8.674 0.776 -8.790 506 HG3 GLU 66 2HG GLU 66 -6.999 1.212 -8.628 507 H ILE 67 H ILE 67 -10.242 0.521 -5.220 508 HA ILE 67 HA ILE 67 -9.521 0.850 -2.346 509 HB ILE 67 HB ILE 67 -12.039 1.521 -3.892 510 HG12 ILE 67 1HG1 ILE 67 -10.161 3.225 -2.209 511 HG13 ILE 67 2HG1 ILE 67 -10.224 3.202 -3.969 512 HG21 ILE 67 1HG2 ILE 67 -12.753 0.454 -1.803 513 HG22 ILE 67 2HG2 ILE 67 -11.640 1.408 -0.852 514 HG23 ILE 67 3HG2 ILE 67 -13.025 2.159 -1.676 515 HD11 ILE 67 3HD1 ILE 67 -11.422 5.121 -3.333 516 HD12 ILE 67 1HD1 ILE 67 -12.651 3.939 -3.824 517 HD13 ILE 67 2HD1 ILE 67 -12.356 4.268 -2.097 518 H TYR 68 H TYR 68 -10.141 -0.746 -0.931 519 HA TYR 68 HA TYR 68 -11.826 -2.895 -1.991 520 HB2 TYR 68 1HB TYR 68 -9.171 -3.355 -0.615 521 HB3 TYR 68 2HB TYR 68 -10.386 -4.593 -0.931 522 HD1 TYR 68 1HD TYR 68 -8.124 -2.136 -2.576 523 HD2 TYR 68 2HD TYR 68 -10.658 -5.566 -3.156 524 HE1 TYR 68 1HE TYR 68 -7.307 -2.342 -4.909 525 HE2 TYR 68 2HE TYR 68 -9.826 -5.780 -5.490 526 HH TYR 68 HH TYR 68 -8.283 -5.006 -7.075 527 H GLU 69 H GLU 69 -13.390 -3.341 -0.747 528 HA GLU 69 HA GLU 69 -13.652 -2.533 2.078 529 HB2 GLU 69 1HB GLU 69 -15.573 -2.551 0.524 530 HB3 GLU 69 2HB GLU 69 -15.309 -4.269 0.184 531 HG2 GLU 69 1HG GLU 69 -15.659 -4.543 2.769 532 HG3 GLU 69 2HG GLU 69 -16.319 -2.909 2.693 533 H VAL 70 H VAL 70 -13.032 -3.938 3.756 534 HA VAL 70 HA VAL 70 -12.322 -6.731 3.064 535 HB VAL 70 HB VAL 70 -10.275 -6.507 4.356 536 HG11 VAL 70 1HG1 VAL 70 -10.184 -6.217 1.902 537 HG12 VAL 70 2HG1 VAL 70 -10.322 -4.463 2.096 538 HG13 VAL 70 3HG1 VAL 70 -8.911 -5.329 2.733 539 HG21 VAL 70 3HG2 VAL 70 -9.295 -4.410 5.028 540 HG22 VAL 70 1HG2 VAL 70 -10.689 -3.504 4.411 541 HG23 VAL 70 2HG2 VAL 70 -10.871 -4.582 5.810 542 H ASP 71 H ASP 71 -11.977 -8.038 5.088 543 HA ASP 71 HA ASP 71 -13.739 -7.103 7.292 544 HB2 ASP 71 1HB ASP 71 -13.756 -9.802 5.944 545 HB3 ASP 71 2HB ASP 71 -14.223 -9.606 7.622 546 H GLU 72 H GLU 72 -13.284 -8.708 9.258 547 HA GLU 72 HA GLU 72 -10.878 -7.515 10.170 548 HB2 GLU 72 1HB GLU 72 -12.912 -9.332 11.271 549 HB3 GLU 72 2HB GLU 72 -11.338 -9.509 12.038 550 HG2 GLU 72 1HG GLU 72 -11.604 -7.573 13.172 551 HG3 GLU 72 2HG GLU 72 -12.116 -6.729 11.704 552 H GLN 73 H GLN 73 -11.518 -10.820 9.004 553 HA GLN 73 HA GLN 73 -9.102 -11.973 9.688 554 HB2 GLN 73 1HB GLN 73 -11.266 -12.955 8.681 555 HB3 GLN 73 2HB GLN 73 -10.572 -12.566 7.112 556 HG2 GLN 73 1HG GLN 73 -10.227 -14.921 7.757 557 HG3 GLN 73 2HG GLN 73 -8.680 -14.081 7.625 558 HE21 GLN 73 1HE2 GLN 73 -7.317 -14.181 9.415 559 HE22 GLN 73 2HE2 GLN 73 -7.784 -14.647 11.024 560 H MET 74 H MET 74 -9.776 -9.851 6.901 561 HA MET 74 HA MET 74 -7.198 -10.380 5.560 562 HB2 MET 74 1HB MET 74 -9.241 -9.692 4.320 563 HB3 MET 74 2HB MET 74 -9.432 -8.303 5.324 564 HG2 MET 74 1HG MET 74 -8.653 -7.603 3.204 565 HG3 MET 74 2HG MET 74 -7.415 -7.252 4.401 566 HE1 MET 74 3HE MET 74 -7.005 -10.950 1.630 567 HE2 MET 74 1HE MET 74 -8.024 -10.828 3.019 568 HE3 MET 74 2HE MET 74 -8.484 -9.945 1.542 569 H LEU 75 H LEU 75 -8.640 -7.751 7.524 570 HA LEU 75 HA LEU 75 -6.249 -6.226 7.678 571 HB2 LEU 75 1HB LEU 75 -8.840 -5.968 8.665 572 HB3 LEU 75 2HB LEU 75 -7.903 -6.205 10.123 573 HG LEU 75 HG LEU 75 -6.347 -4.330 9.275 574 HD11 LEU 75 1HD1 LEU 75 -7.417 -2.756 7.677 575 HD12 LEU 75 2HD1 LEU 75 -8.750 -3.902 7.424 576 HD13 LEU 75 3HD1 LEU 75 -7.091 -4.312 6.913 577 HD21 LEU 75 3HD2 LEU 75 -7.974 -3.989 11.091 578 HD22 LEU 75 1HD2 LEU 75 -9.247 -3.625 9.896 579 HD23 LEU 75 2HD2 LEU 75 -7.823 -2.555 10.057 580 H ARG 76 H ARG 76 -7.204 -9.084 9.573 581 HA ARG 76 HA ARG 76 -5.017 -8.882 11.496 582 HB2 ARG 76 1HB ARG 76 -6.943 -11.115 10.717 583 HB3 ARG 76 2HB ARG 76 -5.615 -11.377 11.827 584 HG2 ARG 76 1HG ARG 76 -6.591 -9.219 13.063 585 HG3 ARG 76 2HG ARG 76 -8.065 -9.674 12.185 586 HD2 ARG 76 1HD ARG 76 -7.616 -12.048 13.088 587 HD3 ARG 76 2HD ARG 76 -6.524 -11.242 14.236 588 HE ARG 76 HE ARG 76 -9.154 -10.032 14.081 589 HH11 ARG 76 1HH1 ARG 76 -7.208 -12.503 15.743 590 HH12 ARG 76 2HH1 ARG 76 -8.441 -12.896 16.899 591 HH21 ARG 76 1HH2 ARG 76 -10.789 -10.500 15.664 592 HH22 ARG 76 2HH2 ARG 76 -10.387 -11.528 16.985 593 H PHE 77 H PHE 77 -5.431 -10.452 8.350 594 HA PHE 77 HA PHE 77 -3.033 -12.064 8.560 595 HB2 PHE 77 1HB PHE 77 -4.887 -12.752 7.151 596 HB3 PHE 77 2HB PHE 77 -4.891 -11.218 6.328 597 HD1 PHE 77 2HD PHE 77 -2.865 -14.354 6.760 598 HD2 PHE 77 1HD PHE 77 -3.487 -10.727 4.542 599 HE1 PHE 77 2HE PHE 77 -1.310 -15.170 4.998 600 HE2 PHE 77 1HE PHE 77 -1.812 -11.467 2.845 601 HZ PHE 77 HZ PHE 77 -0.722 -13.709 3.077 602 H LEU 78 H LEU 78 -3.882 -9.011 6.805 603 HA LEU 78 HA LEU 78 -1.376 -8.659 5.536 604 HB2 LEU 78 1HB LEU 78 -3.695 -6.902 6.221 605 HB3 LEU 78 2HB LEU 78 -2.150 -6.084 6.073 606 HG LEU 78 HG LEU 78 -1.804 -6.706 3.828 607 HD11 LEU 78 1HD1 LEU 78 -3.531 -8.055 2.553 608 HD12 LEU 78 2HD1 LEU 78 -4.195 -8.548 4.129 609 HD13 LEU 78 3HD1 LEU 78 -2.520 -8.961 3.658 610 HD21 LEU 78 3HD2 LEU 78 -4.722 -5.918 4.291 611 HD22 LEU 78 1HD2 LEU 78 -3.844 -5.769 2.754 612 HD23 LEU 78 2HD2 LEU 78 -3.320 -4.823 4.138 613 H ASP 79 H ASP 79 -2.443 -7.728 8.752 614 HA ASP 79 HA ASP 79 -0.340 -6.218 9.775 615 HB2 ASP 79 1HB ASP 79 -2.605 -7.025 10.739 616 HB3 ASP 79 2HB ASP 79 -1.741 -8.483 11.217 617 H ASP 80 H ASP 80 -0.526 -9.816 9.495 618 HA ASP 80 HA ASP 80 2.116 -10.288 10.627 619 HB2 ASP 80 1HB ASP 80 0.140 -11.886 10.630 620 HB3 ASP 80 2HB ASP 80 0.377 -12.129 8.901 621 H PHE 81 H PHE 81 0.756 -9.826 7.356 622 HA PHE 81 HA PHE 81 2.859 -11.156 5.938 623 HB2 PHE 81 1HB PHE 81 0.520 -10.858 5.123 624 HB3 PHE 81 2HB PHE 81 0.803 -9.125 4.994 625 HD1 PHE 81 2HD PHE 81 2.194 -12.417 3.759 626 HD2 PHE 81 1HD PHE 81 1.515 -8.229 2.941 627 HE1 PHE 81 2HE PHE 81 3.086 -12.708 1.458 628 HE2 PHE 81 1HE PHE 81 2.378 -8.554 0.640 629 HZ PHE 81 HZ PHE 81 3.212 -10.774 -0.089 630 H GLU 82 H GLU 82 2.296 -7.803 6.954 631 HA GLU 82 HA GLU 82 4.941 -7.043 5.821 632 HB2 GLU 82 1HB GLU 82 4.199 -4.696 6.229 633 HB3 GLU 82 2HB GLU 82 3.516 -5.609 4.980 634 HG2 GLU 82 1HG GLU 82 1.627 -5.844 7.056 635 HG3 GLU 82 2HG GLU 82 2.241 -4.221 7.180 636 H ASP 83 H ASP 83 4.385 -8.635 8.391 637 HA ASP 83 HA ASP 83 5.335 -8.865 10.386 638 HB2 ASP 83 1HB ASP 83 7.437 -8.383 8.812 639 HB3 ASP 83 2HB ASP 83 7.504 -6.898 9.730 640 H CYS 84 H CYS 84 3.470 -6.573 9.956 641 HA CYS 84 HA CYS 84 4.246 -4.364 11.640 642 HB2 CYS 84 1HB CYS 84 2.631 -4.007 9.879 643 HB3 CYS 84 2HB CYS 84 1.639 -5.348 10.422 644 HG CYS 84 HG CYS 84 0.502 -4.409 12.291 645 HA PRO 85 HA PRO 85 3.284 -3.100 13.336 646 HB2 PRO 85 1HB PRO 85 3.520 -2.422 15.898 647 HB3 PRO 85 2HB PRO 85 1.985 -3.051 15.249 648 HG2 PRO 85 1HG PRO 85 4.140 -4.648 16.697 649 HG3 PRO 85 2HG PRO 85 2.387 -4.553 17.099 650 HD2 PRO 85 1HD PRO 85 3.417 -6.534 15.520 651 HD3 PRO 85 2HD PRO 85 1.798 -5.851 15.226 652 H SER 86 H SER 86 5.751 -5.390 13.810 653 HA SER 86 HA SER 86 7.818 -3.794 14.881 654 HB2 SER 86 1HB SER 86 8.193 -6.059 12.924 655 HB3 SER 86 2HB SER 86 9.201 -5.622 14.298 656 HG SER 86 HG SER 86 7.790 -7.525 14.430 657 H MET 87 H MET 87 7.227 -4.783 11.442 658 HA MET 87 HA MET 87 9.227 -2.802 10.534 659 HB2 MET 87 1HB MET 87 7.539 -4.788 8.999 660 HB3 MET 87 2HB MET 87 8.622 -3.636 8.248 661 HG2 MET 87 1HG MET 87 10.522 -4.647 9.294 662 HG3 MET 87 2HG MET 87 9.526 -5.738 10.235 663 HE1 MET 87 3HE MET 87 8.003 -5.470 6.675 664 HE2 MET 87 1HE MET 87 9.590 -4.759 6.276 665 HE3 MET 87 2HE MET 87 9.140 -6.350 5.643 666 H TYR 88 H TYR 88 5.852 -3.458 9.238 667 HA TYR 88 HA TYR 88 5.553 -0.550 8.859 668 HB2 TYR 88 1HB TYR 88 3.940 -2.989 8.061 669 HB3 TYR 88 2HB TYR 88 3.377 -1.340 7.826 670 HD1 TYR 88 1HD TYR 88 6.034 -3.771 6.854 671 HD2 TYR 88 2HD TYR 88 4.240 0.075 6.074 672 HE1 TYR 88 1HE TYR 88 7.405 -3.563 4.825 673 HE2 TYR 88 2HE TYR 88 5.591 0.259 4.000 674 HH TYR 88 HH TYR 88 7.430 -2.414 2.721 675 H GLN 89 H GLN 89 3.350 0.322 9.514 676 HA GLN 89 HA GLN 89 2.131 -0.829 11.929 677 HB2 GLN 89 1HB GLN 89 3.649 1.777 11.819 678 HB3 GLN 89 2HB GLN 89 2.241 1.625 12.854 679 HG2 GLN 89 1HG GLN 89 3.539 0.851 14.432 680 HG3 GLN 89 2HG GLN 89 3.746 -0.640 13.535 681 HE21 GLN 89 1HE2 GLN 89 5.698 0.089 11.583 682 HE22 GLN 89 2HE2 GLN 89 7.122 0.533 12.431 683 H ARG 90 H ARG 90 0.001 -0.602 11.701 684 HA ARG 90 HA ARG 90 -1.168 0.569 9.311 685 HB2 ARG 90 1HB ARG 90 -2.099 -1.411 10.171 686 HB3 ARG 90 2HB ARG 90 -2.267 -0.785 11.787 687 HG2 ARG 90 1HG ARG 90 -3.819 0.417 9.461 688 HG3 ARG 90 2HG ARG 90 -4.354 -1.076 10.218 689 HD2 ARG 90 1HD ARG 90 -4.293 1.702 11.381 690 HD3 ARG 90 2HD ARG 90 -5.656 0.613 11.144 691 HE ARG 90 HE ARG 90 -3.614 -0.437 12.964 692 HH11 ARG 90 1HH1 ARG 90 -6.695 1.334 12.808 693 HH12 ARG 90 2HH1 ARG 90 -6.997 1.167 14.508 694 HH21 ARG 90 1HH2 ARG 90 -3.956 -0.549 15.139 695 HH22 ARG 90 2HH2 ARG 90 -5.386 0.151 15.885 696 H THR 91 H THR 91 -2.018 2.555 9.000 697 HA THR 91 HA THR 91 -2.658 4.306 11.299 698 HB THR 91 HB THR 91 -1.282 5.145 8.725 699 HG1 THR 91 1HG THR 91 0.307 4.192 9.863 700 HG21 THR 91 3HG2 THR 91 -1.912 6.701 11.254 701 HG22 THR 91 1HG2 THR 91 -2.339 7.098 9.568 702 HG23 THR 91 2HG2 THR 91 -0.673 7.205 10.084 703 H ALA 92 H ALA 92 -4.035 6.221 10.196 704 HA ALA 92 HA ALA 92 -5.783 5.208 8.020 705 HB1 ALA 92 1HB ALA 92 -7.561 6.667 9.031 706 HB2 ALA 92 2HB ALA 92 -7.112 5.333 10.119 707 HB3 ALA 92 3HB ALA 92 -6.505 6.978 10.411 708 H LEU 93 H LEU 93 -6.179 6.582 6.447 709 HA LEU 93 HA LEU 93 -5.297 9.401 6.538 710 HB2 LEU 93 1HB LEU 93 -3.916 9.294 4.673 711 HB3 LEU 93 2HB LEU 93 -3.447 7.945 5.647 712 HG LEU 93 HG LEU 93 -3.350 6.923 3.663 713 HD11 LEU 93 1HD1 LEU 93 -5.287 5.604 2.993 714 HD12 LEU 93 2HD1 LEU 93 -6.334 6.503 4.048 715 HD13 LEU 93 3HD1 LEU 93 -5.013 5.540 4.748 716 HD21 LEU 93 3HD2 LEU 93 -4.400 7.478 1.667 717 HD22 LEU 93 1HD2 LEU 93 -3.954 9.002 2.456 718 HD23 LEU 93 2HD2 LEU 93 -5.631 8.448 2.488 719 H GLN 94 H GLN 94 -5.894 10.434 4.258 720 HA GLN 94 HA GLN 94 -8.766 9.855 3.803 721 HB2 GLN 94 1HB GLN 94 -8.003 12.048 4.853 722 HB3 GLN 94 2HB GLN 94 -7.160 12.411 3.354 723 HG2 GLN 94 1HG GLN 94 -9.244 13.588 3.338 724 HG3 GLN 94 2HG GLN 94 -9.403 12.283 2.159 725 HE21 GLN 94 1HE2 GLN 94 -10.888 10.508 2.622 726 HE22 GLN 94 2HE2 GLN 94 -11.899 10.569 4.041 727 H VAL 95 H VAL 95 -9.212 8.861 1.856 728 HA VAL 95 HA VAL 95 -7.328 9.239 -0.443 729 HB VAL 95 HB VAL 95 -9.156 6.975 0.426 730 HG11 VAL 95 1HG1 VAL 95 -7.440 6.899 -2.084 731 HG12 VAL 95 2HG1 VAL 95 -8.446 5.610 -1.399 732 HG13 VAL 95 3HG1 VAL 95 -9.213 7.041 -2.033 733 HG21 VAL 95 3HG2 VAL 95 -7.013 7.027 1.607 734 HG22 VAL 95 1HG2 VAL 95 -6.996 5.691 0.495 735 HG23 VAL 95 2HG2 VAL 95 -6.116 7.174 0.069 736 H GLN 96 H GLN 96 -8.276 9.642 -2.539 737 HA GLN 96 HA GLN 96 -10.974 10.860 -2.518 738 HB2 GLN 96 1HB GLN 96 -9.561 12.351 -3.734 739 HB3 GLN 96 2HB GLN 96 -8.664 11.012 -4.513 740 HG2 GLN 96 1HG GLN 96 -10.572 10.423 -5.801 741 HG3 GLN 96 2HG GLN 96 -11.648 11.487 -4.924 742 HE21 GLN 96 1HE2 GLN 96 -12.492 12.745 -6.418 743 HE22 GLN 96 2HE2 GLN 96 -11.547 13.747 -7.507 744 H VAL 97 H VAL 97 -12.567 9.873 -3.756 745 HA VAL 97 HA VAL 97 -12.125 7.057 -4.574 746 HB VAL 97 HB VAL 97 -14.064 7.565 -3.068 747 HG11 VAL 97 1HG1 VAL 97 -14.533 9.784 -4.657 748 HG12 VAL 97 2HG1 VAL 97 -15.840 8.902 -3.817 749 HG13 VAL 97 3HG1 VAL 97 -14.411 9.427 -2.891 750 HG21 VAL 97 3HG2 VAL 97 -15.078 6.986 -5.859 751 HG22 VAL 97 1HG2 VAL 97 -14.301 5.790 -4.778 752 HG23 VAL 97 2HG2 VAL 97 -15.823 6.572 -4.304 753 H LEU 98 H LEU 98 -11.270 6.958 -6.558 754 HA LEU 98 HA LEU 98 -11.971 8.909 -8.657 755 HB2 LEU 98 1HB LEU 98 -9.923 6.802 -8.346 756 HB3 LEU 98 2HB LEU 98 -10.778 6.662 -9.874 757 HG LEU 98 HG LEU 98 -10.386 9.290 -10.042 758 HD11 LEU 98 1HD1 LEU 98 -9.415 9.457 -7.739 759 HD12 LEU 98 2HD1 LEU 98 -8.262 9.959 -8.980 760 HD13 LEU 98 3HD1 LEU 98 -8.089 8.357 -8.237 761 HD21 LEU 98 3HD2 LEU 98 -8.214 7.229 -10.490 762 HD22 LEU 98 1HD2 LEU 98 -8.272 8.856 -11.213 763 HD23 LEU 98 2HD2 LEU 98 -9.516 7.664 -11.622 764 H GLU 99 H GLU 99 -13.305 5.846 -7.423 765 HA GLU 99 HA GLU 99 -15.446 6.093 -9.321 766 HB2 GLU 99 1HB GLU 99 -13.360 4.659 -10.308 767 HB3 GLU 99 2HB GLU 99 -14.058 3.399 -9.323 768 HG2 GLU 99 1HG GLU 99 -15.575 2.967 -10.874 769 HG3 GLU 99 2HG GLU 99 -16.184 4.628 -10.881 770 H TRP 100 H TRP 100 -17.218 4.728 -8.619 771 HA TRP 100 HA TRP 100 -16.791 3.244 -6.092 772 HB2 TRP 100 1HB TRP 100 -17.561 5.619 -5.628 773 HB3 TRP 100 2HB TRP 100 -19.069 5.219 -6.441 774 HD1 TRP 100 HD TRP 100 -20.828 3.877 -4.929 775 HE1 TRP 100 1HE TRP 100 -20.791 2.790 -2.609 776 HE3 TRP 100 3HE TRP 100 -15.833 4.268 -3.930 777 HZ2 TRP 100 2HZ TRP 100 -18.837 2.101 -0.614 778 HZ3 TRP 100 3HZ TRP 100 -14.914 3.416 -1.795 779 HH2 TRP 100 HH TRP 100 -16.449 2.414 -0.082 780 H GLU 101 H GLU 101 -17.627 1.294 -6.240 781 HA GLU 101 HA GLU 101 -19.639 0.725 -8.344 782 HB2 GLU 101 1HB GLU 101 -17.459 -1.057 -7.162 783 HB3 GLU 101 2HB GLU 101 -18.693 -1.598 -8.293 784 HG2 GLU 101 1HG GLU 101 -16.420 0.334 -8.807 785 HG3 GLU 101 2HG GLU 101 -16.687 -1.239 -9.531 786 H GLY 102 H GLY 102 -21.511 0.982 -7.251 787 HA2 GLY 102 2HA GLY 102 -23.246 -0.460 -6.416 788 HA3 GLY 102 1HA GLY 102 -22.118 -1.124 -5.222 789 H ASP 103 H ASP 103 -24.119 -0.486 -3.931 790 HA ASP 103 HA ASP 103 -24.613 2.257 -3.354 791 HB2 ASP 103 1HB ASP 103 -26.157 0.346 -3.039 792 HB3 ASP 103 2HB ASP 103 -25.198 -0.160 -1.641 793 H GLY 104 H GLY 104 -24.366 3.080 -1.009 794 HA2 GLY 104 2HA GLY 104 -23.201 3.380 0.977 795 HA3 GLY 104 1HA GLY 104 -22.021 2.161 0.487 796 H ASP 105 H ASP 105 -23.052 5.194 -1.076 797 HA ASP 105 HA ASP 105 -20.428 5.970 -1.742 798 HB2 ASP 105 1HB ASP 105 -22.071 6.257 -3.407 799 HB3 ASP 105 2HB ASP 105 -23.146 7.148 -2.316 800 HA PRO 106 HA PRO 106 -20.380 8.429 2.214 801 HB2 PRO 106 1HB PRO 106 -17.692 8.895 2.288 802 HB3 PRO 106 2HB PRO 106 -18.366 7.313 2.753 803 HG2 PRO 106 1HG PRO 106 -17.207 8.122 0.079 804 HG3 PRO 106 2HG PRO 106 -16.850 6.637 1.010 805 HD2 PRO 106 1HD PRO 106 -18.619 6.604 -0.995 806 HD3 PRO 106 2HD PRO 106 -18.881 5.665 0.473 807 H GLY 107 H GLY 107 -19.136 9.277 -1.033 808 HA2 GLY 107 2HA GLY 107 -19.535 11.713 -1.693 809 HA3 GLY 107 1HA GLY 107 -18.621 12.068 -0.206 810 H ASP 108 H ASP 108 -17.238 13.036 -2.169 811 HA ASP 108 HA ASP 108 -15.734 11.067 -3.686 812 HB2 ASP 108 1HB ASP 108 -16.461 13.483 -4.479 813 HB3 ASP 108 2HB ASP 108 -15.275 14.021 -3.266 814 H SER 109 H SER 109 -15.269 11.736 -0.554 815 HA SER 109 HA SER 109 -12.791 10.439 -1.123 816 HB2 SER 109 1HB SER 109 -11.662 11.553 0.861 817 HB3 SER 109 2HB SER 109 -11.711 12.426 -0.658 818 HG SER 109 HG SER 109 -13.336 12.890 1.638 819 H VAL 110 H VAL 110 -12.235 8.915 0.437 820 HA VAL 110 HA VAL 110 -14.104 8.569 2.754 821 HB VAL 110 HB VAL 110 -14.494 7.070 0.761 822 HG11 VAL 110 1HG1 VAL 110 -12.275 5.269 1.734 823 HG12 VAL 110 2HG1 VAL 110 -13.032 5.425 0.115 824 HG13 VAL 110 3HG1 VAL 110 -11.842 6.597 0.676 825 HG21 VAL 110 3HG2 VAL 110 -13.980 5.653 3.382 826 HG22 VAL 110 1HG2 VAL 110 -15.430 6.585 2.935 827 HG23 VAL 110 2HG2 VAL 110 -15.022 5.114 2.044 828 H GLN 111 H GLN 111 -13.275 7.675 4.626 829 HA GLN 111 HA GLN 111 -10.389 7.866 5.091 830 HB2 GLN 111 1HB GLN 111 -12.079 8.775 6.681 831 HB3 GLN 111 2HB GLN 111 -12.674 7.147 7.001 832 HG2 GLN 111 1HG GLN 111 -9.725 7.800 7.391 833 HG3 GLN 111 2HG GLN 111 -10.909 8.334 8.570 834 HE21 GLN 111 1HE2 GLN 111 -9.005 5.590 7.563 835 HE22 GLN 111 2HE2 GLN 111 -9.725 4.480 8.722 836 H CYS 112 H CYS 112 -9.101 6.182 5.004 837 HA CYS 112 HA CYS 112 -10.044 3.425 5.411 838 HB2 CYS 112 1HB CYS 112 -8.126 3.109 3.424 839 HB3 CYS 112 2HB CYS 112 -9.870 3.069 3.154 840 HG CYS 112 HG CYS 112 -9.477 4.542 1.396 841 H PHE 113 H PHE 113 -8.157 1.918 5.660 842 HA PHE 113 HA PHE 113 -6.023 3.238 7.253 843 HB2 PHE 113 1HB PHE 113 -6.791 0.308 7.287 844 HB3 PHE 113 2HB PHE 113 -5.661 1.115 8.323 845 HD1 PHE 113 1HD PHE 113 -6.505 2.933 9.928 846 HD2 PHE 113 2HD PHE 113 -9.167 0.313 7.762 847 HE1 PHE 113 1HE PHE 113 -8.381 3.608 11.407 848 HE2 PHE 113 2HE PHE 113 -11.027 1.009 9.205 849 HZ PHE 113 HZ PHE 113 -10.651 2.669 11.039 850 H VAL 114 H VAL 114 -3.875 2.873 6.771 851 HA VAL 114 HA VAL 114 -3.144 1.192 4.474 852 HB VAL 114 HB VAL 114 -2.674 4.187 4.727 853 HG11 VAL 114 1HG1 VAL 114 -1.152 4.037 2.796 854 HG12 VAL 114 2HG1 VAL 114 -0.487 3.267 4.224 855 HG13 VAL 114 3HG1 VAL 114 -1.160 2.257 2.921 856 HG21 VAL 114 3HG2 VAL 114 -3.484 4.272 2.433 857 HG22 VAL 114 1HG2 VAL 114 -3.638 2.496 2.385 858 HG23 VAL 114 2HG2 VAL 114 -4.678 3.460 3.444 859 H TYR 115 H TYR 115 -1.069 0.387 4.718 860 HA TYR 115 HA TYR 115 0.060 0.513 7.437 861 HB2 TYR 115 1HB TYR 115 0.735 -1.028 4.923 862 HB3 TYR 115 2HB TYR 115 1.793 -1.017 6.325 863 HD1 TYR 115 2HD TYR 115 1.006 -1.923 8.541 864 HD2 TYR 115 1HD TYR 115 -1.346 -2.293 4.929 865 HE1 TYR 115 2HE TYR 115 -0.443 -3.600 9.642 866 HE2 TYR 115 1HE TYR 115 -2.831 -3.895 6.076 867 HH TYR 115 HH TYR 115 -2.149 -5.616 8.613 868 H THR 116 H THR 116 1.547 1.942 8.031 869 HA THR 116 HA THR 116 3.167 3.319 5.973 870 HB THR 116 HB THR 116 3.114 5.265 7.469 871 HG1 THR 116 1HG THR 116 2.078 5.230 9.364 872 HG21 THR 116 3HG2 THR 116 0.294 4.273 6.834 873 HG22 THR 116 1HG2 THR 116 1.351 5.257 5.801 874 HG23 THR 116 2HG2 THR 116 0.714 5.908 7.328 875 H THR 117 H THR 117 5.079 4.385 7.430 876 HA THR 117 HA THR 117 5.734 2.865 9.805 877 HB THR 117 HB THR 117 6.902 1.517 8.198 878 HG1 THR 117 1HG THR 117 8.355 1.666 9.677 879 HG21 THR 117 3HG2 THR 117 7.959 4.091 6.966 880 HG22 THR 117 1HG2 THR 117 6.908 2.873 6.206 881 HG23 THR 117 2HG2 THR 117 8.579 2.474 6.607 882 H ALA 118 H ALA 118 6.534 4.360 11.300 883 HA ALA 118 HA ALA 118 6.992 7.140 10.324 884 HB1 ALA 118 1HB ALA 118 6.502 7.806 12.580 885 HB2 ALA 118 2HB ALA 118 5.233 6.673 12.056 886 HB3 ALA 118 3HB ALA 118 6.527 6.130 13.149 887 H THR 119 H THR 119 8.775 4.308 11.191 888 HA THR 119 HA THR 119 10.679 5.565 12.932 889 HB THR 119 HB THR 119 11.532 3.181 12.982 890 HG1 THR 119 1HG THR 119 10.756 1.738 11.661 891 HG21 THR 119 3HG2 THR 119 8.495 3.383 13.290 892 HG22 THR 119 1HG2 THR 119 9.669 3.966 14.487 893 HG23 THR 119 2HG2 THR 119 9.575 2.238 14.082 894 H TYR 120 H TYR 120 10.559 6.320 9.949 895 HA TYR 120 HA TYR 120 12.446 4.989 8.485 896 HB2 TYR 120 1HB TYR 120 12.310 6.873 6.903 897 HB3 TYR 120 2HB TYR 120 10.770 6.264 7.464 898 HD1 TYR 120 1HD TYR 120 9.236 7.578 8.837 899 HD2 TYR 120 2HD TYR 120 13.015 9.183 7.493 900 HE1 TYR 120 1HE TYR 120 8.510 9.842 9.541 901 HE2 TYR 120 2HE TYR 120 12.267 11.448 8.226 902 HH TYR 120 HH TYR 120 10.790 12.634 9.350 903 H ALA 121 H ALA 121 14.484 5.037 7.998 904 HA ALA 121 HA ALA 121 16.419 6.307 9.698 905 HB1 ALA 121 1HB ALA 121 18.019 5.318 8.090 906 HB2 ALA 121 2HB ALA 121 16.785 4.140 8.540 907 HB3 ALA 121 3HB ALA 121 16.685 4.950 6.968 908 HA PRO 122 HA PRO 122 16.414 10.181 7.751 909 HB2 PRO 122 1HB PRO 122 18.983 11.148 8.052 910 HB3 PRO 122 2HB PRO 122 17.759 10.991 9.345 911 HG2 PRO 122 1HG PRO 122 20.001 9.073 8.672 912 HG3 PRO 122 2HG PRO 122 19.531 9.688 10.279 913 HD2 PRO 122 1HD PRO 122 18.680 7.261 9.387 914 HD3 PRO 122 2HD PRO 122 17.606 8.316 10.362 915 H GLU 123 H GLU 123 18.863 7.938 6.575 916 HA GLU 123 HA GLU 123 19.588 9.118 4.147 917 HB2 GLU 123 1HB GLU 123 19.596 6.629 3.331 918 HB3 GLU 123 2HB GLU 123 20.780 7.224 4.461 919 HG2 GLU 123 1HG GLU 123 18.292 5.960 5.606 920 HG3 GLU 123 2HG GLU 123 19.472 4.919 4.829 921 H TRP 124 H TRP 124 16.455 7.627 5.028 922 HA TRP 124 HA TRP 124 15.664 7.465 2.249 923 HB2 TRP 124 1HB TRP 124 14.038 7.000 4.746 924 HB3 TRP 124 2HB TRP 124 13.556 6.584 3.137 925 HD1 TRP 124 HD TRP 124 16.966 5.572 2.980 926 HE1 TRP 124 1HE TRP 124 17.360 3.122 3.659 927 HE3 TRP 124 3HE TRP 124 12.361 4.550 4.825 928 HZ2 TRP 124 2HZ TRP 124 15.863 1.004 4.954 929 HZ3 TRP 124 3HZ TRP 124 11.793 2.267 5.675 930 HH2 TRP 124 HH TRP 124 13.558 0.490 5.753 931 H LEU 125 H LEU 125 16.037 10.248 3.993 932 HA LEU 125 HA LEU 125 13.601 11.509 2.815 933 HB2 LEU 125 1HB LEU 125 15.968 12.672 4.369 934 HB3 LEU 125 2HB LEU 125 14.685 13.606 3.639 935 HG LEU 125 HG LEU 125 14.121 13.536 5.873 936 HD11 LEU 125 1HD1 LEU 125 12.404 11.296 4.787 937 HD12 LEU 125 2HD1 LEU 125 12.204 13.009 4.370 938 HD13 LEU 125 3HD1 LEU 125 11.988 12.494 6.041 939 HD21 LEU 125 3HD2 LEU 125 15.681 11.827 6.537 940 HD22 LEU 125 1HD2 LEU 125 14.562 10.553 5.986 941 HD23 LEU 125 2HD2 LEU 125 14.123 11.616 7.328 942 H PHE 126 H PHE 126 17.021 10.872 1.969 943 HA PHE 126 HA PHE 126 17.082 13.193 0.163 944 HB2 PHE 126 1HB PHE 126 19.155 11.054 0.458 945 HB3 PHE 126 2HB PHE 126 19.372 12.719 -0.085 946 HD1 PHE 126 2HD PHE 126 18.548 14.558 1.779 947 HD2 PHE 126 1HD PHE 126 19.841 10.543 2.620 948 HE1 PHE 126 2HE PHE 126 18.993 15.198 4.114 949 HE2 PHE 126 1HE PHE 126 20.271 11.184 4.997 950 HZ PHE 126 HZ PHE 126 19.892 13.500 5.739 951 H LEU 127 H LEU 127 16.608 9.787 -0.003 952 HA LEU 127 HA LEU 127 16.983 9.173 -2.610 953 HB2 LEU 127 1HB LEU 127 15.228 7.361 -2.347 954 HB3 LEU 127 2HB LEU 127 16.784 7.305 -1.587 955 HG LEU 127 HG LEU 127 16.165 7.932 0.437 956 HD11 LEU 127 1HD1 LEU 127 13.442 8.120 0.366 957 HD12 LEU 127 2HD1 LEU 127 14.009 8.874 -1.200 958 HD13 LEU 127 3HD1 LEU 127 14.646 9.466 0.305 959 HD21 LEU 127 3HD2 LEU 127 14.495 5.712 -0.843 960 HD22 LEU 127 1HD2 LEU 127 14.506 5.975 0.915 961 HD23 LEU 127 2HD2 LEU 127 16.000 5.570 0.060 962 HA PRO 128 HA PRO 128 13.946 11.000 -5.109 963 HB2 PRO 128 1HB PRO 128 13.949 9.286 -7.281 964 HB3 PRO 128 2HB PRO 128 15.278 10.419 -6.900 965 HG2 PRO 128 1HG PRO 128 15.282 7.490 -6.683 966 HG3 PRO 128 2HG PRO 128 16.649 8.642 -6.575 967 HD2 PRO 128 1HD PRO 128 15.054 7.357 -4.477 968 HD3 PRO 128 2HD PRO 128 16.625 8.121 -4.286 969 H TYR 129 H TYR 129 11.796 10.909 -5.557 970 HA TYR 129 HA TYR 129 10.354 8.792 -4.084 971 HB2 TYR 129 1HB TYR 129 9.493 11.547 -4.934 972 HB3 TYR 129 2HB TYR 129 8.573 10.523 -3.873 973 HD1 TYR 129 2HD TYR 129 11.797 9.783 -2.544 974 HD2 TYR 129 1HD TYR 129 9.144 13.142 -3.195 975 HE1 TYR 129 2HE TYR 129 12.869 10.980 -0.753 976 HE2 TYR 129 1HE TYR 129 10.212 14.353 -1.287 977 HH TYR 129 HH TYR 129 13.163 13.018 0.317 978 H HIS 130 H HIS 130 7.936 8.869 -4.962 979 HA HIS 130 HA HIS 130 7.914 8.444 -7.902 980 HB2 HIS 130 1HB HIS 130 7.020 6.354 -5.860 981 HB3 HIS 130 2HB HIS 130 6.727 6.242 -7.582 982 HD1 HIS 130 1HD HIS 130 8.509 4.918 -8.930 983 HD2 HIS 130 2HD HIS 130 9.810 6.357 -5.188 984 HE1 HIS 130 1HE HIS 130 10.884 4.060 -8.618 985 H GLU 131 H GLU 131 5.523 7.748 -8.522 986 HA GLU 131 HA GLU 131 3.600 9.127 -6.761 987 HB2 GLU 131 1HB GLU 131 4.413 10.401 -8.925 988 HB3 GLU 131 2HB GLU 131 3.268 9.325 -9.729 989 HG2 GLU 131 1HG GLU 131 1.518 10.143 -7.940 990 HG3 GLU 131 2HG GLU 131 2.706 11.366 -7.534 991 H SER 132 H SER 132 4.452 6.463 -8.744 992 HA SER 132 HA SER 132 2.287 4.987 -7.580 993 HB2 SER 132 1HB SER 132 1.798 3.736 -9.698 994 HB3 SER 132 2HB SER 132 1.201 5.402 -9.681 995 HG SER 132 HG SER 132 2.535 5.945 -11.205 996 H TYR 133 H TYR 133 2.878 2.754 -7.426 997 HA TYR 133 HA TYR 133 5.754 2.160 -7.791 998 HB2 TYR 133 1HB TYR 133 4.678 1.801 -5.545 999 HB3 TYR 133 2HB TYR 133 3.482 0.793 -6.281 1000 HD1 TYR 133 1HD TYR 133 7.141 0.595 -7.138 1001 HD2 TYR 133 2HD TYR 133 3.899 -1.068 -4.823 1002 HE1 TYR 133 1HE TYR 133 8.506 -1.360 -6.686 1003 HE2 TYR 133 2HE TYR 133 5.320 -3.019 -4.271 1004 HH TYR 133 HH TYR 133 8.707 -3.221 -5.346 1005 H ASP 134 H ASP 134 6.208 0.086 -9.044 1006 HA ASP 134 HA ASP 134 4.102 -1.571 -9.994 1007 HB2 ASP 134 1HB ASP 134 3.877 0.401 -11.670 1008 HB3 ASP 134 2HB ASP 134 5.535 0.039 -12.165 1009 H SER 135 H SER 135 5.097 -3.598 -10.556 1010 HA SER 135 HA SER 135 8.049 -3.688 -10.511 1011 HB2 SER 135 1HB SER 135 5.962 -5.875 -10.634 1012 HB3 SER 135 2HB SER 135 7.700 -6.147 -10.749 1013 HG SER 135 HG SER 135 6.824 -6.366 -8.654 1014 H GLU 136 H GLU 136 5.452 -3.454 -12.928 1015 HA GLU 136 HA GLU 136 7.224 -4.558 -15.035 1016 HB2 GLU 136 1HB GLU 136 4.405 -3.500 -14.970 1017 HB3 GLU 136 2HB GLU 136 5.225 -3.882 -16.487 1018 HG2 GLU 136 1HG GLU 136 5.339 -6.161 -16.056 1019 HG3 GLU 136 2HG GLU 136 5.178 -5.969 -14.304 1020 H GLY 137 H GLY 137 6.655 -1.513 -13.561 1021 HA2 GLY 137 2HA GLY 137 7.117 0.326 -15.597 1022 HA3 GLY 137 1HA GLY 137 7.562 0.574 -13.911 1023 HA PRO 138 HA PRO 138 11.288 0.041 -16.864 1024 HB2 PRO 138 1HB PRO 138 12.094 2.575 -17.353 1025 HB3 PRO 138 2HB PRO 138 10.755 1.794 -18.256 1026 HG2 PRO 138 1HG PRO 138 10.555 3.591 -15.831 1027 HG3 PRO 138 2HG PRO 138 9.690 3.773 -17.390 1028 HD2 PRO 138 1HD PRO 138 8.540 2.570 -15.239 1029 HD3 PRO 138 2HD PRO 138 8.260 1.949 -16.895 1030 H HIS 139 H HIS 139 10.709 1.164 -13.767 1031 HA HIS 139 HA HIS 139 12.807 2.530 -12.858 1032 HB2 HIS 139 1HB HIS 139 11.428 0.290 -11.327 1033 HB3 HIS 139 2HB HIS 139 12.269 1.665 -10.653 1034 HD1 HIS 139 1HD HIS 139 11.242 4.151 -11.454 1035 HD2 HIS 139 2HD HIS 139 8.802 0.723 -11.670 1036 HE1 HIS 139 1HE HIS 139 8.827 4.991 -11.656 1037 H GLY 140 H GLY 140 12.998 -0.930 -13.547 1038 HA2 GLY 140 2HA GLY 140 14.823 -2.325 -13.621 1039 HA3 GLY 140 1HA GLY 140 15.875 -0.950 -13.234 1040 H LEU 141 H LEU 141 14.365 -0.359 -10.713 1041 HA LEU 141 HA LEU 141 15.122 -2.654 -9.018 1042 HB2 LEU 141 1HB LEU 141 14.512 -0.911 -7.163 1043 HB3 LEU 141 2HB LEU 141 16.073 -1.002 -7.935 1044 HG LEU 141 HG LEU 141 15.268 0.959 -9.442 1045 HD11 LEU 141 1HD1 LEU 141 12.870 0.879 -8.695 1046 HD12 LEU 141 2HD1 LEU 141 13.655 2.447 -8.450 1047 HD13 LEU 141 3HD1 LEU 141 13.428 1.346 -7.079 1048 HD21 LEU 141 3HD2 LEU 141 15.930 2.561 -7.629 1049 HD22 LEU 141 1HD2 LEU 141 17.017 1.166 -7.726 1050 HD23 LEU 141 2HD2 LEU 141 15.794 1.250 -6.447 1051 H ARG 142 H ARG 142 13.674 -4.046 -8.455 1052 HA ARG 142 HA ARG 142 10.832 -3.317 -8.103 1053 HB2 ARG 142 1HB ARG 142 11.906 -5.820 -9.489 1054 HB3 ARG 142 2HB ARG 142 10.213 -5.494 -9.097 1055 HG2 ARG 142 1HG ARG 142 10.187 -4.888 -11.254 1056 HG3 ARG 142 2HG ARG 142 10.587 -3.328 -10.492 1057 HD2 ARG 142 1HD ARG 142 12.968 -3.704 -11.042 1058 HD3 ARG 142 2HD ARG 142 12.546 -5.259 -11.784 1059 HE ARG 142 HE ARG 142 11.218 -2.773 -12.685 1060 HH11 ARG 142 1HH1 ARG 142 13.507 -5.436 -13.546 1061 HH12 ARG 142 2HH1 ARG 142 13.233 -5.244 -15.241 1062 HH21 ARG 142 1HH2 ARG 142 10.843 -2.644 -14.949 1063 HH22 ARG 142 2HH2 ARG 142 11.623 -3.760 -16.011 1064 H TYR 143 H TYR 143 9.696 -5.121 -6.798 1065 HA TYR 143 HA TYR 143 11.285 -5.621 -4.437 1066 HB2 TYR 143 1HB TYR 143 8.909 -5.345 -4.171 1067 HB3 TYR 143 2HB TYR 143 8.558 -6.702 -5.243 1068 HD1 TYR 143 2HD TYR 143 10.743 -6.067 -2.196 1069 HD2 TYR 143 1HD TYR 143 7.745 -8.597 -4.021 1070 HE1 TYR 143 2HE TYR 143 10.660 -7.450 -0.167 1071 HE2 TYR 143 1HE TYR 143 7.634 -9.950 -1.986 1072 HH TYR 143 HH TYR 143 9.607 -9.204 0.942 1073 H ASN 144 H ASN 144 12.738 -7.112 -4.151 1074 HA ASN 144 HA ASN 144 12.766 -9.498 -5.952 1075 HB2 ASN 144 1HB ASN 144 14.922 -7.549 -5.093 1076 HB3 ASN 144 2HB ASN 144 15.309 -9.196 -5.585 1077 HD21 ASN 144 1HD2 ASN 144 16.518 -7.508 -7.326 1078 HD22 ASN 144 2HD2 ASN 144 15.564 -7.428 -8.778 1079 HA PRO 145 HA PRO 145 12.291 -10.655 -1.550 1080 HB2 PRO 145 1HB PRO 145 10.583 -12.814 -1.938 1081 HB3 PRO 145 2HB PRO 145 10.084 -11.126 -1.705 1082 HG2 PRO 145 1HG PRO 145 10.390 -12.622 -4.323 1083 HG3 PRO 145 2HG PRO 145 9.072 -11.524 -3.815 1084 HD2 PRO 145 1HD PRO 145 11.106 -10.728 -5.418 1085 HD3 PRO 145 2HD PRO 145 10.419 -9.639 -4.175 1086 H ARG 146 H ARG 146 12.418 -13.163 -4.155 1087 HA ARG 146 HA ARG 146 14.844 -14.276 -3.003 1088 HB2 ARG 146 1HB ARG 146 12.523 -15.159 -1.799 1089 HB3 ARG 146 2HB ARG 146 12.633 -16.303 -3.141 1090 HG2 ARG 146 1HG ARG 146 14.001 -17.384 -1.685 1091 HG3 ARG 146 2HG ARG 146 15.215 -16.324 -2.380 1092 HD2 ARG 146 1HD ARG 146 14.738 -14.646 -0.577 1093 HD3 ARG 146 2HD ARG 146 13.783 -15.873 0.256 1094 HE ARG 146 HE ARG 146 16.705 -15.647 -0.083 1095 HH11 ARG 146 1HH1 ARG 146 14.111 -17.754 1.037 1096 HH12 ARG 146 2HH1 ARG 146 15.064 -18.548 2.232 1097 HH21 ARG 146 1HH2 ARG 146 17.996 -16.675 1.299 1098 HH22 ARG 146 2HH2 ARG 146 17.466 -18.018 2.285 1099 H GLU 147 H GLU 147 13.714 -13.342 -5.538 1100 HA GLU 147 HA GLU 147 13.523 -15.548 -7.406 1101 HB2 GLU 147 1HB GLU 147 13.375 -13.490 -9.056 1102 HB3 GLU 147 2HB GLU 147 12.011 -14.084 -8.124 1103 HG2 GLU 147 1HG GLU 147 12.208 -11.615 -8.066 1104 HG3 GLU 147 2HG GLU 147 12.267 -12.440 -6.499 1105 H ASN 148 H ASN 148 16.117 -13.915 -6.006 1106 HA ASN 148 HA ASN 148 17.883 -14.729 -8.226 1107 HB2 ASN 148 1HB ASN 148 19.174 -12.703 -8.126 1108 HB3 ASN 148 2HB ASN 148 17.497 -12.332 -8.529 1109 HD21 ASN 148 1HD2 ASN 148 16.533 -10.652 -7.360 1110 HD22 ASN 148 2HD2 ASN 148 17.418 -9.887 -6.037 1111 H ARG 149 H ARG 149 17.426 -14.598 -4.856 1112 HA ARG 149 HA ARG 149 18.497 -15.615 -3.138 1113 HB2 ARG 149 1HB ARG 149 19.519 -17.431 -5.316 1114 HB3 ARG 149 2HB ARG 149 19.427 -17.859 -3.628 1115 HG2 ARG 149 1HG ARG 149 17.028 -17.250 -5.423 1116 HG3 ARG 149 2HG ARG 149 17.697 -18.869 -5.189 1117 HD2 ARG 149 1HD ARG 149 17.127 -17.191 -2.824 1118 HD3 ARG 149 2HD ARG 149 15.749 -18.007 -3.615 1119 HE ARG 149 HE ARG 149 17.997 -19.230 -2.135 1120 HH11 ARG 149 1HH1 ARG 149 15.212 -19.912 -4.308 1121 HH12 ARG 149 2HH1 ARG 149 15.115 -21.564 -3.796 1122 HH21 ARG 149 1HH2 ARG 149 17.946 -21.363 -1.693 1123 HH22 ARG 149 2HH2 ARG 149 16.725 -22.415 -2.423 Start of MODEL 8 1 H1 MET 1 H MET 1 -14.611 -5.722 7.184 2 HA MET 1 HA MET 1 -16.423 -3.813 5.859 3 HB2 MET 1 1HB MET 1 -16.730 -4.997 8.640 4 HB3 MET 1 2HB MET 1 -17.642 -3.619 8.005 5 HG2 MET 1 1HG MET 1 -18.372 -5.079 6.082 6 HG3 MET 1 2HG MET 1 -17.732 -6.461 6.989 7 HE1 MET 1 3HE MET 1 -20.609 -6.150 5.817 8 HE2 MET 1 1HE MET 1 -20.240 -7.595 6.787 9 HE3 MET 1 2HE MET 1 -21.698 -6.637 7.129 10 H ALA 2 H ALA 2 -13.724 -3.337 5.818 11 HA ALA 2 HA ALA 2 -13.301 -1.059 7.540 12 HB1 ALA 2 1HB ALA 2 -11.085 -1.934 8.331 13 HB2 ALA 2 2HB ALA 2 -12.450 -2.834 9.020 14 HB3 ALA 2 3HB ALA 2 -11.518 -3.537 7.683 15 H HIS 3 H HIS 3 -13.264 0.102 5.616 16 HA HIS 3 HA HIS 3 -12.113 -0.857 3.212 17 HB2 HIS 3 1HB HIS 3 -12.826 1.954 4.159 18 HB3 HIS 3 2HB HIS 3 -12.284 1.573 2.520 19 HD1 HIS 3 1HD HIS 3 -15.500 1.958 4.250 20 HD2 HIS 3 2HD HIS 3 -13.794 -0.726 1.480 21 HE1 HIS 3 1HE HIS 3 -17.429 0.759 3.108 22 H ILE 4 H ILE 4 -10.040 -1.042 2.636 23 HA ILE 4 HA ILE 4 -8.025 0.761 3.853 24 HB ILE 4 HB ILE 4 -6.384 -0.926 3.775 25 HG12 ILE 4 1HG1 ILE 4 -8.424 -3.011 2.907 26 HG13 ILE 4 2HG1 ILE 4 -7.375 -2.196 1.754 27 HG21 ILE 4 1HG2 ILE 4 -7.066 -2.203 5.655 28 HG22 ILE 4 2HG2 ILE 4 -8.102 -0.763 5.719 29 HG23 ILE 4 3HG2 ILE 4 -8.760 -2.274 5.119 30 HD11 ILE 4 3HD1 ILE 4 -6.393 -4.333 2.389 31 HD12 ILE 4 1HD1 ILE 4 -5.368 -3.002 2.955 32 HD13 ILE 4 2HD1 ILE 4 -6.408 -3.878 4.101 33 H PHE 5 H PHE 5 -6.028 0.861 2.313 34 HA PHE 5 HA PHE 5 -6.841 0.837 -0.532 35 HB2 PHE 5 1HB PHE 5 -7.293 3.085 0.271 36 HB3 PHE 5 2HB PHE 5 -5.732 3.168 1.075 37 HD1 PHE 5 1HD PHE 5 -7.279 2.732 -2.308 38 HD2 PHE 5 2HD PHE 5 -3.853 4.095 -0.069 39 HE1 PHE 5 1HE PHE 5 -6.311 3.697 -4.368 40 HE2 PHE 5 2HE PHE 5 -2.896 5.053 -2.140 41 HZ PHE 5 HZ PHE 5 -4.093 4.859 -4.259 42 H VAL 6 H VAL 6 -5.119 0.370 -1.884 43 HA VAL 6 HA VAL 6 -2.828 -0.820 -0.446 44 HB VAL 6 HB VAL 6 -4.427 -2.092 -2.003 45 HG11 VAL 6 1HG1 VAL 6 -3.862 -2.160 -4.374 46 HG12 VAL 6 2HG1 VAL 6 -4.415 -0.556 -3.905 47 HG13 VAL 6 3HG1 VAL 6 -2.688 -0.850 -4.185 48 HG21 VAL 6 3HG2 VAL 6 -2.759 -3.582 -2.746 49 HG22 VAL 6 1HG2 VAL 6 -1.454 -2.365 -2.521 50 HG23 VAL 6 2HG2 VAL 6 -2.358 -3.019 -1.128 51 H TYR 7 H TYR 7 -0.781 -0.155 -0.747 52 HA TYR 7 HA TYR 7 -0.283 2.351 -2.173 53 HB2 TYR 7 1HB TYR 7 2.050 1.847 -0.968 54 HB3 TYR 7 2HB TYR 7 0.675 2.524 -0.121 55 HD1 TYR 7 1HD TYR 7 -0.835 1.084 1.263 56 HD2 TYR 7 2HD TYR 7 2.920 -0.378 -0.300 57 HE1 TYR 7 1HE TYR 7 -0.967 -0.876 2.776 58 HE2 TYR 7 2HE TYR 7 2.813 -2.293 1.239 59 HH TYR 7 HH TYR 7 1.711 -3.188 3.137 60 H GLY 8 H GLY 8 1.064 -1.024 -2.178 61 HA2 GLY 8 2HA GLY 8 2.016 -0.515 -4.963 62 HA3 GLY 8 1HA GLY 8 3.199 -0.716 -3.678 63 H THR 9 H THR 9 0.668 -2.930 -3.012 64 HA THR 9 HA THR 9 2.301 -5.066 -4.274 65 HB THR 9 HB THR 9 1.668 -6.118 -1.941 66 HG1 THR 9 1HG THR 9 1.537 -4.514 -0.351 67 HG21 THR 9 3HG2 THR 9 3.949 -5.528 -2.836 68 HG22 THR 9 1HG2 THR 9 3.792 -5.306 -1.099 69 HG23 THR 9 2HG2 THR 9 3.747 -3.891 -2.175 70 H LEU 10 H LEU 10 -1.070 -4.143 -4.006 71 HA LEU 10 HA LEU 10 -1.684 -6.754 -5.260 72 HB2 LEU 10 1HB LEU 10 -3.457 -5.651 -3.047 73 HB3 LEU 10 2HB LEU 10 -3.594 -7.153 -3.912 74 HG LEU 10 HG LEU 10 -1.155 -7.572 -2.803 75 HD11 LEU 10 1HD1 LEU 10 -1.072 -6.719 -0.508 76 HD12 LEU 10 2HD1 LEU 10 -2.598 -5.851 -0.743 77 HD13 LEU 10 3HD1 LEU 10 -1.151 -5.348 -1.618 78 HD21 LEU 10 3HD2 LEU 10 -3.703 -8.045 -1.243 79 HD22 LEU 10 1HD2 LEU 10 -2.138 -8.854 -1.036 80 HD23 LEU 10 2HD2 LEU 10 -3.035 -9.095 -2.522 81 H LYS 11 H LYS 11 -1.468 -5.201 -7.165 82 HA LYS 11 HA LYS 11 -4.086 -4.067 -7.750 83 HB2 LYS 11 1HB LYS 11 -2.912 -2.312 -6.439 84 HB3 LYS 11 2HB LYS 11 -1.676 -2.188 -7.660 85 HG2 LYS 11 1HG LYS 11 -4.629 -1.846 -8.355 86 HG3 LYS 11 2HG LYS 11 -3.743 -0.574 -7.541 87 HD2 LYS 11 1HD LYS 11 -3.270 0.201 -9.519 88 HD3 LYS 11 2HD LYS 11 -2.004 -1.014 -9.578 89 HE2 LYS 11 1HE LYS 11 -2.947 -1.906 -11.427 90 HE3 LYS 11 2HE LYS 11 -4.442 -2.215 -10.533 91 HZ1 LYS 11 3HZ LYS 11 -5.188 -0.061 -11.028 92 HZ2 LYS 11 1HZ LYS 11 -4.831 -0.821 -12.434 93 HZ3 LYS 11 2HZ LYS 11 -3.834 0.374 -11.854 94 H ARG 12 H ARG 12 -0.925 -3.246 -9.274 95 HA ARG 12 HA ARG 12 -1.970 -3.887 -11.905 96 HB2 ARG 12 1HB ARG 12 0.705 -2.983 -10.858 97 HB3 ARG 12 2HB ARG 12 0.666 -3.776 -12.419 98 HG2 ARG 12 1HG ARG 12 -0.886 -1.248 -11.753 99 HG3 ARG 12 2HG ARG 12 0.655 -1.351 -12.591 100 HD2 ARG 12 1HD ARG 12 -0.561 -2.882 -14.301 101 HD3 ARG 12 2HD ARG 12 -2.057 -2.263 -13.596 102 HE ARG 12 HE ARG 12 -0.229 -0.128 -14.234 103 HH11 ARG 12 1HH1 ARG 12 -2.295 -2.460 -15.960 104 HH12 ARG 12 2HH1 ARG 12 -2.500 -1.472 -17.359 105 HH21 ARG 12 1HH2 ARG 12 -0.568 1.227 -16.025 106 HH22 ARG 12 2HH2 ARG 12 -1.459 0.713 -17.387 107 H GLY 13 H GLY 13 0.856 -5.470 -10.256 108 HA2 GLY 13 2HA GLY 13 -0.169 -7.870 -10.051 109 HA3 GLY 13 1HA GLY 13 0.417 -7.869 -11.762 110 H GLN 14 H GLN 14 1.250 -7.607 -8.336 111 HA GLN 14 HA GLN 14 4.068 -7.766 -9.022 112 HB2 GLN 14 1HB GLN 14 4.395 -6.298 -6.936 113 HB3 GLN 14 2HB GLN 14 3.850 -5.586 -8.427 114 HG2 GLN 14 1HG GLN 14 1.822 -6.425 -6.403 115 HG3 GLN 14 2HG GLN 14 2.769 -4.950 -6.207 116 HE21 GLN 14 1HE2 GLN 14 2.902 -3.662 -8.274 117 HE22 GLN 14 2HE2 GLN 14 1.380 -3.029 -8.798 118 HA PRO 15 HA PRO 15 4.032 -11.324 -6.768 119 HB2 PRO 15 1HB PRO 15 6.389 -11.453 -5.281 120 HB3 PRO 15 2HB PRO 15 6.285 -11.508 -7.063 121 HG2 PRO 15 1HG PRO 15 7.100 -9.282 -5.242 122 HG3 PRO 15 2HG PRO 15 7.626 -9.634 -6.914 123 HD2 PRO 15 1HD PRO 15 5.729 -7.729 -6.070 124 HD3 PRO 15 2HD PRO 15 5.976 -8.271 -7.747 125 H ASN 16 H ASN 16 2.323 -9.897 -5.328 126 HA ASN 16 HA ASN 16 1.898 -11.457 -2.945 127 HB2 ASN 16 1HB ASN 16 1.396 -8.880 -1.977 128 HB3 ASN 16 2HB ASN 16 2.695 -9.974 -1.580 129 HD21 ASN 16 1HD2 ASN 16 2.240 -7.687 -4.405 130 HD22 ASN 16 2HD2 ASN 16 3.956 -7.208 -4.267 131 H HIS 17 H HIS 17 0.699 -9.883 -5.804 132 HA HIS 17 HA HIS 17 -1.762 -8.928 -4.710 133 HB2 HIS 17 1HB HIS 17 -0.758 -8.319 -6.935 134 HB3 HIS 17 2HB HIS 17 -1.189 -9.910 -7.536 135 HD1 HIS 17 1HD HIS 17 -2.568 -8.172 -9.359 136 HD2 HIS 17 2HD HIS 17 -4.084 -8.713 -5.458 137 HE1 HIS 17 1HE HIS 17 -4.924 -7.246 -9.344 138 H LYS 18 H LYS 18 -0.908 -12.063 -6.195 139 HA LYS 18 HA LYS 18 -3.406 -13.180 -6.330 140 HB2 LYS 18 1HB LYS 18 -2.356 -15.359 -6.388 141 HB3 LYS 18 2HB LYS 18 -1.514 -14.213 -7.403 142 HG2 LYS 18 1HG LYS 18 -0.419 -14.614 -4.627 143 HG3 LYS 18 2HG LYS 18 -0.307 -15.948 -5.771 144 HD2 LYS 18 1HD LYS 18 0.813 -14.311 -7.400 145 HD3 LYS 18 2HD LYS 18 0.914 -13.200 -6.029 146 HE2 LYS 18 1HE LYS 18 3.024 -14.374 -6.234 147 HE3 LYS 18 2HE LYS 18 2.202 -14.898 -4.756 148 HZ1 LYS 18 3HZ LYS 18 3.198 -16.735 -6.060 149 HZ2 LYS 18 1HZ LYS 18 2.153 -16.435 -7.286 150 HZ3 LYS 18 2HZ LYS 18 1.607 -16.935 -5.807 151 H VAL 19 H VAL 19 -1.704 -12.811 -3.263 152 HA VAL 19 HA VAL 19 -2.950 -14.809 -1.767 153 HB VAL 19 HB VAL 19 -2.464 -13.365 0.153 154 HG11 VAL 19 1HG1 VAL 19 -0.087 -13.114 -0.150 155 HG12 VAL 19 2HG1 VAL 19 -0.588 -14.569 -0.994 156 HG13 VAL 19 3HG1 VAL 19 -0.231 -13.093 -1.921 157 HG21 VAL 19 3HG2 VAL 19 -1.386 -11.090 -0.313 158 HG22 VAL 19 1HG2 VAL 19 -2.312 -11.172 -1.838 159 HG23 VAL 19 2HG2 VAL 19 -3.145 -11.246 -0.310 160 H MET 20 H MET 20 -4.244 -11.590 -2.733 161 HA MET 20 HA MET 20 -6.579 -11.992 -1.024 162 HB2 MET 20 1HB MET 20 -7.166 -9.806 -1.481 163 HB3 MET 20 2HB MET 20 -5.422 -9.792 -1.268 164 HG2 MET 20 1HG MET 20 -5.006 -9.198 -3.447 165 HG3 MET 20 2HG MET 20 -6.427 -10.001 -4.074 166 HE1 MET 20 3HE MET 20 -6.477 -7.539 -1.003 167 HE2 MET 20 1HE MET 20 -5.281 -6.697 -2.017 168 HE3 MET 20 2HE MET 20 -6.886 -6.000 -1.771 169 H LEU 21 H LEU 21 -5.898 -13.555 -3.693 170 HA LEU 21 HA LEU 21 -8.547 -13.243 -4.985 171 HB2 LEU 21 1HB LEU 21 -6.004 -14.221 -6.282 172 HB3 LEU 21 2HB LEU 21 -7.500 -13.715 -7.050 173 HG LEU 21 HG LEU 21 -5.532 -11.879 -5.631 174 HD11 LEU 21 1HD1 LEU 21 -6.129 -11.957 -8.600 175 HD12 LEU 21 2HD1 LEU 21 -4.791 -12.842 -7.880 176 HD13 LEU 21 3HD1 LEU 21 -4.849 -11.071 -7.745 177 HD21 LEU 21 3HD2 LEU 21 -6.830 -10.019 -6.582 178 HD22 LEU 21 1HD2 LEU 21 -7.850 -11.001 -5.516 179 HD23 LEU 21 2HD2 LEU 21 -7.974 -11.173 -7.287 180 H ASP 22 H ASP 22 -6.938 -15.222 -2.896 181 HA ASP 22 HA ASP 22 -8.050 -17.783 -3.958 182 HB2 ASP 22 1HB ASP 22 -5.379 -17.035 -2.711 183 HB3 ASP 22 2HB ASP 22 -5.970 -18.673 -2.555 184 H HIS 23 H HIS 23 -8.842 -15.751 -1.846 185 HA HIS 23 HA HIS 23 -9.563 -15.638 0.309 186 HB2 HIS 23 1HB HIS 23 -11.374 -16.228 -1.252 187 HB3 HIS 23 2HB HIS 23 -11.271 -17.889 -0.674 188 HD1 HIS 23 1HD HIS 23 -13.075 -18.250 1.276 189 HD2 HIS 23 2HD HIS 23 -11.589 -14.320 1.007 190 HE1 HIS 23 1HE HIS 23 -14.162 -16.943 3.152 191 H SER 24 H SER 24 -7.247 -17.404 0.221 192 HA SER 24 HA SER 24 -7.734 -19.102 2.633 193 HB2 SER 24 1HB SER 24 -6.327 -19.676 0.402 194 HB3 SER 24 2HB SER 24 -5.030 -18.948 1.342 195 HG SER 24 HG SER 24 -6.732 -21.067 2.242 196 H HIS 25 H HIS 25 -6.154 -16.082 1.673 197 HA HIS 25 HA HIS 25 -4.666 -15.849 4.203 198 HB2 HIS 25 1HB HIS 25 -4.944 -14.023 1.791 199 HB3 HIS 25 2HB HIS 25 -4.165 -13.547 3.291 200 HD1 HIS 25 1HD HIS 25 -1.629 -13.828 3.162 201 HD2 HIS 25 2HD HIS 25 -3.792 -16.696 0.968 202 HE1 HIS 25 1HE HIS 25 0.094 -15.284 1.981 203 H GLY 26 H GLY 26 -7.667 -14.695 2.607 204 HA2 GLY 26 2HA GLY 26 -9.228 -14.104 4.740 205 HA3 GLY 26 1HA GLY 26 -8.213 -12.661 4.573 206 H LEU 27 H LEU 27 -10.569 -11.915 4.145 207 HA LEU 27 HA LEU 27 -11.429 -12.290 1.341 208 HB2 LEU 27 1HB LEU 27 -12.946 -12.598 3.352 209 HB3 LEU 27 2HB LEU 27 -12.686 -10.893 3.685 210 HG LEU 27 HG LEU 27 -14.878 -11.511 2.669 211 HD11 LEU 27 1HD1 LEU 27 -13.949 -9.180 2.544 212 HD12 LEU 27 2HD1 LEU 27 -15.088 -9.635 1.242 213 HD13 LEU 27 3HD1 LEU 27 -13.372 -9.574 0.901 214 HD21 LEU 27 3HD2 LEU 27 -13.288 -11.819 0.110 215 HD22 LEU 27 1HD2 LEU 27 -15.049 -11.966 0.318 216 HD23 LEU 27 2HD2 LEU 27 -13.953 -13.160 1.063 217 H ALA 28 H ALA 28 -11.115 -10.749 -0.088 218 HA ALA 28 HA ALA 28 -11.137 -7.911 0.716 219 HB1 ALA 28 1HB ALA 28 -9.499 -7.332 -1.059 220 HB2 ALA 28 2HB ALA 28 -8.764 -8.314 0.210 221 HB3 ALA 28 3HB ALA 28 -9.214 -9.063 -1.342 222 H ALA 29 H ALA 29 -12.112 -6.591 -0.937 223 HA ALA 29 HA ALA 29 -12.968 -7.887 -3.454 224 HB1 ALA 29 1HB ALA 29 -14.838 -6.223 -1.695 225 HB2 ALA 29 2HB ALA 29 -15.220 -6.966 -3.264 226 HB3 ALA 29 3HB ALA 29 -14.913 -7.988 -1.840 227 H PHE 30 H PHE 30 -12.904 -6.391 -5.105 228 HA PHE 30 HA PHE 30 -11.434 -3.879 -4.841 229 HB2 PHE 30 1HB PHE 30 -11.123 -5.044 -6.872 230 HB3 PHE 30 2HB PHE 30 -12.821 -5.437 -7.043 231 HD1 PHE 30 1HD PHE 30 -10.622 -2.340 -6.937 232 HD2 PHE 30 2HD PHE 30 -14.093 -4.290 -8.622 233 HE1 PHE 30 1HE PHE 30 -10.805 -0.575 -8.678 234 HE2 PHE 30 2HE PHE 30 -14.169 -2.611 -10.425 235 HZ PHE 30 HZ PHE 30 -12.445 -0.822 -10.524 236 H ARG 31 H ARG 31 -12.434 -2.319 -3.720 237 HA ARG 31 HA ARG 31 -15.363 -1.960 -4.056 238 HB2 ARG 31 1HB ARG 31 -14.695 -2.823 -1.808 239 HB3 ARG 31 2HB ARG 31 -13.682 -1.398 -1.589 240 HG2 ARG 31 1HG ARG 31 -15.778 -1.037 -0.422 241 HG3 ARG 31 2HG ARG 31 -15.710 0.064 -1.770 242 HD2 ARG 31 1HD ARG 31 -17.907 -0.783 -1.684 243 HD3 ARG 31 2HD ARG 31 -17.120 -1.546 -3.071 244 HE ARG 31 HE ARG 31 -16.981 -3.176 -0.682 245 HH11 ARG 31 1HH1 ARG 31 -19.174 -2.101 -3.235 246 HH12 ARG 31 2HH1 ARG 31 -20.038 -3.602 -3.366 247 HH21 ARG 31 1HH2 ARG 31 -18.301 -5.202 -0.712 248 HH22 ARG 31 2HH2 ARG 31 -19.735 -5.186 -1.684 249 H GLY 32 H GLY 32 -14.261 -0.884 -6.005 250 HA2 GLY 32 2HA GLY 32 -14.289 1.279 -6.964 251 HA3 GLY 32 1HA GLY 32 -14.038 1.984 -5.367 252 H ARG 33 H ARG 33 -12.564 3.036 -7.138 253 HA ARG 33 HA ARG 33 -9.828 1.873 -6.714 254 HB2 ARG 33 1HB ARG 33 -9.071 2.444 -8.855 255 HB3 ARG 33 2HB ARG 33 -10.638 1.674 -9.067 256 HG2 ARG 33 1HG ARG 33 -11.417 4.256 -8.883 257 HG3 ARG 33 2HG ARG 33 -9.765 4.510 -9.479 258 HD2 ARG 33 1HD ARG 33 -11.729 2.608 -10.736 259 HD3 ARG 33 2HD ARG 33 -11.638 4.308 -11.221 260 HE ARG 33 HE ARG 33 -9.294 3.986 -11.829 261 HH11 ARG 33 1HH1 ARG 33 -11.541 1.272 -12.014 262 HH12 ARG 33 2HH1 ARG 33 -10.578 0.335 -13.098 263 HH21 ARG 33 1HH2 ARG 33 -8.111 2.910 -13.354 264 HH22 ARG 33 2HH2 ARG 33 -8.543 1.315 -13.923 265 H GLY 34 H GLY 34 -8.053 3.842 -6.986 266 HA2 GLY 34 2HA GLY 34 -8.880 6.454 -6.275 267 HA3 GLY 34 1HA GLY 34 -8.644 5.538 -4.782 268 H CYS 35 H CYS 35 -7.249 7.616 -4.907 269 HA CYS 35 HA CYS 35 -4.502 6.687 -5.103 270 HB2 CYS 35 1HB CYS 35 -3.794 8.752 -6.184 271 HB3 CYS 35 2HB CYS 35 -4.777 7.789 -7.275 272 HG CYS 35 HG CYS 35 -5.242 10.230 -7.736 273 H THR 36 H THR 36 -3.080 8.227 -3.713 274 HA THR 36 HA THR 36 -4.762 9.497 -1.618 275 HB THR 36 HB THR 36 -2.765 9.865 -0.397 276 HG1 THR 36 1HG THR 36 -1.238 10.182 -1.801 277 HG21 THR 36 3HG2 THR 36 -2.145 7.070 -0.910 278 HG22 THR 36 1HG2 THR 36 -3.889 7.301 -1.021 279 HG23 THR 36 2HG2 THR 36 -3.053 7.794 0.440 280 H VAL 37 H VAL 37 -5.627 11.358 -2.454 281 HA VAL 37 HA VAL 37 -4.148 13.121 -4.196 282 HB VAL 37 HB VAL 37 -5.824 14.837 -3.195 283 HG11 VAL 37 1HG1 VAL 37 -5.905 14.027 -5.459 284 HG12 VAL 37 2HG1 VAL 37 -6.553 12.461 -4.957 285 HG13 VAL 37 3HG1 VAL 37 -7.544 13.936 -4.817 286 HG21 VAL 37 3HG2 VAL 37 -6.545 13.550 -1.230 287 HG22 VAL 37 1HG2 VAL 37 -7.895 13.915 -2.310 288 HG23 VAL 37 2HG2 VAL 37 -7.228 12.286 -2.288 289 H GLU 38 H GLU 38 -4.096 12.585 -0.834 290 HA GLU 38 HA GLU 38 -2.352 14.827 -0.170 291 HB2 GLU 38 1HB GLU 38 -3.490 12.542 1.232 292 HB3 GLU 38 2HB GLU 38 -1.745 12.572 1.485 293 HG2 GLU 38 1HG GLU 38 -1.756 14.476 2.685 294 HG3 GLU 38 2HG GLU 38 -3.022 15.230 1.733 295 H SER 39 H SER 39 -0.526 15.147 -1.127 296 HA SER 39 HA SER 39 1.170 13.347 -2.428 297 HB2 SER 39 1HB SER 39 2.519 15.520 -0.985 298 HB3 SER 39 2HB SER 39 2.355 15.239 -2.709 299 HG SER 39 HG SER 39 1.417 17.263 -1.828 300 H PHE 40 H PHE 40 2.585 11.760 -1.522 301 HA PHE 40 HA PHE 40 3.339 12.128 1.356 302 HB2 PHE 40 1HB PHE 40 2.139 9.595 0.050 303 HB3 PHE 40 2HB PHE 40 3.111 9.586 1.465 304 HD1 PHE 40 2HD PHE 40 2.356 11.073 3.532 305 HD2 PHE 40 1HD PHE 40 -0.154 9.770 0.349 306 HE1 PHE 40 2HE PHE 40 0.355 11.274 5.043 307 HE2 PHE 40 1HE PHE 40 -2.160 9.907 1.843 308 HZ PHE 40 HZ PHE 40 -1.898 10.631 4.160 309 HA PRO 41 HA PRO 41 7.290 10.712 -0.222 310 HB2 PRO 41 1HB PRO 41 8.394 9.750 2.093 311 HB3 PRO 41 2HB PRO 41 8.134 11.501 1.854 312 HG2 PRO 41 1HG PRO 41 6.332 9.546 3.240 313 HG3 PRO 41 2HG PRO 41 6.860 11.171 3.829 314 HD2 PRO 41 1HD PRO 41 4.481 10.794 2.755 315 HD3 PRO 41 2HD PRO 41 5.441 12.259 2.369 316 H LEU 42 H LEU 42 6.065 9.027 -1.486 317 HA LEU 42 HA LEU 42 6.360 6.329 -0.352 318 HB2 LEU 42 1HB LEU 42 4.785 7.345 -2.434 319 HB3 LEU 42 2HB LEU 42 6.125 6.677 -3.314 320 HG LEU 42 HG LEU 42 3.929 5.342 -1.818 321 HD11 LEU 42 1HD1 LEU 42 4.032 3.798 -3.692 322 HD12 LEU 42 2HD1 LEU 42 5.597 4.461 -4.204 323 HD13 LEU 42 3HD1 LEU 42 4.133 5.458 -4.310 324 HD21 LEU 42 3HD2 LEU 42 5.189 3.176 -1.625 325 HD22 LEU 42 1HD2 LEU 42 5.616 4.389 -0.435 326 HD23 LEU 42 2HD2 LEU 42 6.697 4.095 -1.836 327 H VAL 43 H VAL 43 8.492 5.635 -0.084 328 HA VAL 43 HA VAL 43 10.506 6.579 -2.077 329 HB VAL 43 HB VAL 43 12.111 6.801 -0.230 330 HG11 VAL 43 1HG1 VAL 43 9.683 8.612 0.078 331 HG12 VAL 43 2HG1 VAL 43 11.377 8.992 0.495 332 HG13 VAL 43 3HG1 VAL 43 10.918 8.725 -1.183 333 HG21 VAL 43 3HG2 VAL 43 11.073 5.453 1.566 334 HG22 VAL 43 1HG2 VAL 43 11.391 7.103 2.093 335 HG23 VAL 43 2HG2 VAL 43 9.734 6.613 1.670 336 H ILE 44 H ILE 44 11.708 5.023 -2.962 337 HA ILE 44 HA ILE 44 11.362 2.279 -2.009 338 HB ILE 44 HB ILE 44 12.948 3.160 -4.428 339 HG12 ILE 44 1HG1 ILE 44 9.961 2.474 -4.269 340 HG13 ILE 44 2HG1 ILE 44 10.632 4.069 -4.630 341 HG21 ILE 44 1HG2 ILE 44 12.476 0.793 -5.115 342 HG22 ILE 44 2HG2 ILE 44 13.319 0.868 -3.572 343 HG23 ILE 44 3HG2 ILE 44 11.595 0.543 -3.581 344 HD11 ILE 44 3HD1 ILE 44 11.690 3.156 -6.672 345 HD12 ILE 44 1HD1 ILE 44 10.825 1.615 -6.382 346 HD13 ILE 44 2HD1 ILE 44 9.923 3.095 -6.684 347 H ALA 45 H ALA 45 12.619 1.695 -0.316 348 HA ALA 45 HA ALA 45 15.431 2.588 -0.176 349 HB1 ALA 45 1HB ALA 45 13.780 4.131 1.159 350 HB2 ALA 45 2HB ALA 45 13.682 2.760 2.282 351 HB3 ALA 45 3HB ALA 45 15.244 3.502 1.938 352 H GLY 46 H GLY 46 16.727 0.892 0.436 353 HA2 GLY 46 2HA GLY 46 17.214 -0.972 1.839 354 HA3 GLY 46 1HA GLY 46 15.507 -1.372 1.949 355 H GLU 47 H GLU 47 17.070 -3.344 1.449 356 HA GLU 47 HA GLU 47 18.352 -3.340 -1.110 357 HB2 GLU 47 1HB GLU 47 19.154 -3.900 1.311 358 HB3 GLU 47 2HB GLU 47 18.367 -5.455 1.068 359 HG2 GLU 47 1HG GLU 47 20.764 -5.600 0.706 360 HG3 GLU 47 2HG GLU 47 19.876 -5.984 -0.758 361 H HIS 48 H HIS 48 15.389 -4.613 -0.227 362 HA HIS 48 HA HIS 48 15.491 -6.574 -2.458 363 HB2 HIS 48 1HB HIS 48 14.406 -6.854 0.344 364 HB3 HIS 48 2HB HIS 48 13.503 -7.597 -0.940 365 HD1 HIS 48 1HD HIS 48 14.370 -9.916 -1.889 366 HD2 HIS 48 2HD HIS 48 16.913 -7.646 0.510 367 HE1 HIS 48 1HE HIS 48 16.383 -11.420 -1.447 368 H ASN 49 H ASN 49 14.762 -3.628 -2.127 369 HA ASN 49 HA ASN 49 13.334 -2.147 -3.034 370 HB2 ASN 49 1HB ASN 49 12.266 -4.296 -4.783 371 HB3 ASN 49 2HB ASN 49 12.448 -2.588 -5.156 372 HD21 ASN 49 1HD2 ASN 49 14.728 -1.793 -5.534 373 HD22 ASN 49 2HD2 ASN 49 15.950 -2.963 -5.975 374 H ILE 50 H ILE 50 12.489 -2.494 -0.824 375 HA ILE 50 HA ILE 50 9.670 -3.344 -0.565 376 HB ILE 50 HB ILE 50 11.886 -3.113 1.549 377 HG12 ILE 50 1HG1 ILE 50 10.291 -5.589 0.900 378 HG13 ILE 50 2HG1 ILE 50 11.753 -5.239 -0.017 379 HG21 ILE 50 1HG2 ILE 50 9.765 -2.383 2.487 380 HG22 ILE 50 2HG2 ILE 50 8.934 -3.804 1.821 381 HG23 ILE 50 3HG2 ILE 50 10.122 -3.990 3.119 382 HD11 ILE 50 3HD1 ILE 50 11.574 -5.713 2.974 383 HD12 ILE 50 1HD1 ILE 50 12.321 -6.755 1.751 384 HD13 ILE 50 2HD1 ILE 50 13.051 -5.183 2.119 385 HA PRO 51 HA PRO 51 10.221 1.250 -0.608 386 HB2 PRO 51 1HB PRO 51 7.718 1.997 -1.428 387 HB3 PRO 51 2HB PRO 51 8.999 1.478 -2.565 388 HG2 PRO 51 1HG PRO 51 6.741 -0.172 -1.420 389 HG3 PRO 51 2HG PRO 51 7.290 -0.049 -3.112 390 HD2 PRO 51 1HD PRO 51 8.072 -2.103 -1.467 391 HD3 PRO 51 2HD PRO 51 9.173 -1.417 -2.707 392 H TRP 52 H TRP 52 9.230 2.900 0.693 393 HA TRP 52 HA TRP 52 7.552 1.870 2.908 394 HB2 TRP 52 1HB TRP 52 9.900 3.783 3.191 395 HB3 TRP 52 2HB TRP 52 8.831 3.218 4.465 396 HD1 TRP 52 HD TRP 52 11.598 1.963 2.149 397 HE1 TRP 52 1HE TRP 52 12.536 -0.200 2.967 398 HE3 TRP 52 3HE TRP 52 8.326 1.161 5.979 399 HZ2 TRP 52 2HZ TRP 52 11.998 -2.087 5.187 400 HZ3 TRP 52 3HZ TRP 52 8.487 -0.856 7.362 401 HH2 TRP 52 HH TRP 52 10.379 -2.476 7.018 402 H LEU 53 H LEU 53 5.903 3.159 3.401 403 HA LEU 53 HA LEU 53 5.712 5.760 1.993 404 HB2 LEU 53 1HB LEU 53 4.107 3.700 1.562 405 HB3 LEU 53 2HB LEU 53 3.466 4.077 3.159 406 HG LEU 53 HG LEU 53 3.163 5.467 0.522 407 HD11 LEU 53 1HD1 LEU 53 1.475 4.125 2.120 408 HD12 LEU 53 2HD1 LEU 53 0.989 5.471 1.130 409 HD13 LEU 53 3HD1 LEU 53 1.304 5.729 2.879 410 HD21 LEU 53 3HD2 LEU 53 3.260 7.245 2.902 411 HD22 LEU 53 1HD2 LEU 53 2.492 7.531 1.308 412 HD23 LEU 53 2HD2 LEU 53 4.242 7.286 1.393 413 H LEU 54 H LEU 54 6.438 7.174 3.244 414 HA LEU 54 HA LEU 54 6.347 6.732 6.175 415 HB2 LEU 54 1HB LEU 54 7.433 9.209 4.970 416 HB3 LEU 54 2HB LEU 54 7.946 8.382 6.423 417 HG LEU 54 HG LEU 54 8.577 7.729 3.510 418 HD11 LEU 54 1HD1 LEU 54 9.845 9.576 4.532 419 HD12 LEU 54 2HD1 LEU 54 10.889 8.195 4.165 420 HD13 LEU 54 3HD1 LEU 54 10.381 8.501 5.834 421 HD21 LEU 54 3HD2 LEU 54 9.293 6.104 5.967 422 HD22 LEU 54 1HD2 LEU 54 10.083 5.928 4.385 423 HD23 LEU 54 2HD2 LEU 54 8.366 5.570 4.558 424 H TYR 55 H TYR 55 5.202 8.162 7.637 425 HA TYR 55 HA TYR 55 2.754 9.102 6.360 426 HB2 TYR 55 1HB TYR 55 2.948 7.735 8.499 427 HB3 TYR 55 2HB TYR 55 3.460 9.194 9.301 428 HD1 TYR 55 1HD TYR 55 0.689 8.339 6.761 429 HD2 TYR 55 2HD TYR 55 1.779 10.221 10.524 430 HE1 TYR 55 1HE TYR 55 -1.677 8.896 7.200 431 HE2 TYR 55 2HE TYR 55 -0.601 10.767 10.933 432 HH TYR 55 HH TYR 55 -3.264 9.560 8.929 433 H LEU 56 H LEU 56 3.638 10.850 5.074 434 HA LEU 56 HA LEU 56 3.886 13.352 6.673 435 HB2 LEU 56 1HB LEU 56 6.128 12.275 5.619 436 HB3 LEU 56 2HB LEU 56 5.625 13.177 4.252 437 HG LEU 56 HG LEU 56 6.998 14.670 5.262 438 HD11 LEU 56 1HD1 LEU 56 5.765 16.521 6.133 439 HD12 LEU 56 2HD1 LEU 56 4.406 15.506 6.624 440 HD13 LEU 56 3HD1 LEU 56 4.762 15.735 4.904 441 HD21 LEU 56 3HD2 LEU 56 5.944 13.635 7.904 442 HD22 LEU 56 1HD2 LEU 56 6.952 15.102 7.763 443 HD23 LEU 56 2HD2 LEU 56 7.578 13.546 7.224 444 HA PRO 57 HA PRO 57 0.694 13.768 3.351 445 HB2 PRO 57 1HB PRO 57 -0.930 15.547 4.663 446 HB3 PRO 57 2HB PRO 57 -1.000 13.783 4.945 447 HG2 PRO 57 1HG PRO 57 0.495 15.875 6.559 448 HG3 PRO 57 2HG PRO 57 -0.609 14.611 7.156 449 HD2 PRO 57 1HD PRO 57 2.068 14.272 7.163 450 HD3 PRO 57 2HD PRO 57 1.010 12.882 6.768 451 H GLY 58 H GLY 58 1.029 15.239 1.746 452 HA2 GLY 58 2HA GLY 58 1.260 17.344 0.755 453 HA3 GLY 58 1HA GLY 58 1.541 18.076 2.334 454 H LYS 59 H LYS 59 3.685 15.262 1.789 455 HA LYS 59 HA LYS 59 5.754 17.003 0.584 456 HB2 LYS 59 1HB LYS 59 6.039 16.665 3.045 457 HB3 LYS 59 2HB LYS 59 6.024 14.913 2.791 458 HG2 LYS 59 1HG LYS 59 8.167 14.893 2.094 459 HG3 LYS 59 2HG LYS 59 7.839 16.169 0.936 460 HD2 LYS 59 1HD LYS 59 9.347 17.303 2.154 461 HD3 LYS 59 2HD LYS 59 7.980 17.702 3.156 462 HE2 LYS 59 1HE LYS 59 8.728 16.415 4.902 463 HE3 LYS 59 2HE LYS 59 9.192 15.086 3.850 464 HZ1 LYS 59 3HZ LYS 59 11.253 16.231 3.341 465 HZ2 LYS 59 1HZ LYS 59 11.079 16.076 4.969 466 HZ3 LYS 59 2HZ LYS 59 10.808 17.523 4.282 467 H GLY 60 H GLY 60 6.400 15.980 -1.417 468 HA2 GLY 60 2HA GLY 60 7.043 14.124 -2.683 469 HA3 GLY 60 1HA GLY 60 6.178 13.017 -1.613 470 H HIS 61 H HIS 61 4.681 11.988 -2.947 471 HA HIS 61 HA HIS 61 3.160 13.668 -4.887 472 HB2 HIS 61 1HB HIS 61 4.647 11.069 -5.435 473 HB3 HIS 61 2HB HIS 61 3.523 11.876 -6.522 474 HD1 HIS 61 1HD HIS 61 4.520 14.817 -6.534 475 HD2 HIS 61 2HD HIS 61 6.891 11.346 -6.724 476 HE1 HIS 61 1HE HIS 61 6.784 15.535 -7.492 477 H CYS 62 H CYS 62 1.321 12.590 -5.789 478 HA CYS 62 HA CYS 62 -0.320 11.328 -3.797 479 HB2 CYS 62 1HB CYS 62 -0.710 11.815 -6.801 480 HB3 CYS 62 2HB CYS 62 -1.991 11.452 -5.642 481 HG CYS 62 HG CYS 62 -2.217 13.883 -6.274 482 H VAL 63 H VAL 63 -0.330 9.145 -3.356 483 HA VAL 63 HA VAL 63 1.080 7.307 -5.134 484 HB VAL 63 HB VAL 63 -0.216 6.903 -2.397 485 HG11 VAL 63 1HG1 VAL 63 1.815 5.215 -3.899 486 HG12 VAL 63 2HG1 VAL 63 1.315 4.975 -2.209 487 HG13 VAL 63 3HG1 VAL 63 0.139 4.762 -3.521 488 HG21 VAL 63 3HG2 VAL 63 2.641 7.631 -3.165 489 HG22 VAL 63 1HG2 VAL 63 1.522 8.596 -2.187 490 HG23 VAL 63 2HG2 VAL 63 2.145 7.080 -1.545 491 H THR 64 H THR 64 -0.063 6.443 -6.842 492 HA THR 64 HA THR 64 -2.982 6.159 -6.698 493 HB THR 64 HB THR 64 -2.911 5.275 -8.920 494 HG1 THR 64 1HG THR 64 -0.084 5.440 -8.593 495 HG21 THR 64 3HG2 THR 64 -0.985 7.617 -8.796 496 HG22 THR 64 1HG2 THR 64 -2.780 7.688 -8.806 497 HG23 THR 64 2HG2 THR 64 -1.905 7.052 -10.204 498 H GLY 65 H GLY 65 -4.168 4.176 -6.656 499 HA2 GLY 65 2HA GLY 65 -2.881 1.607 -6.287 500 HA3 GLY 65 1HA GLY 65 -3.502 2.344 -4.795 501 H GLU 66 H GLU 66 -5.214 0.794 -4.573 502 HA GLU 66 HA GLU 66 -7.635 1.562 -5.889 503 HB2 GLU 66 1HB GLU 66 -6.315 -1.019 -6.611 504 HB3 GLU 66 2HB GLU 66 -7.997 -1.169 -6.082 505 HG2 GLU 66 1HG GLU 66 -8.828 -0.225 -7.929 506 HG3 GLU 66 2HG GLU 66 -7.701 1.104 -7.901 507 H ILE 67 H ILE 67 -9.542 0.450 -4.704 508 HA ILE 67 HA ILE 67 -8.820 0.644 -1.832 509 HB ILE 67 HB ILE 67 -11.367 1.331 -3.353 510 HG12 ILE 67 1HG1 ILE 67 -9.477 3.155 -1.801 511 HG13 ILE 67 2HG1 ILE 67 -9.474 2.985 -3.559 512 HG21 ILE 67 1HG2 ILE 67 -10.800 1.562 -0.352 513 HG22 ILE 67 2HG2 ILE 67 -12.279 2.087 -1.187 514 HG23 ILE 67 3HG2 ILE 67 -11.902 0.389 -1.116 515 HD11 ILE 67 3HD1 ILE 67 -10.669 4.975 -3.034 516 HD12 ILE 67 1HD1 ILE 67 -11.856 3.780 -3.609 517 HD13 ILE 67 2HD1 ILE 67 -11.712 4.148 -1.873 518 H TYR 68 H TYR 68 -9.374 -1.035 -0.529 519 HA TYR 68 HA TYR 68 -10.968 -3.219 -1.711 520 HB2 TYR 68 1HB TYR 68 -8.406 -3.626 -0.135 521 HB3 TYR 68 2HB TYR 68 -9.529 -4.877 -0.651 522 HD1 TYR 68 1HD TYR 68 -9.971 -5.313 -3.045 523 HD2 TYR 68 2HD TYR 68 -6.760 -2.669 -1.836 524 HE1 TYR 68 1HE TYR 68 -9.116 -5.293 -5.353 525 HE2 TYR 68 2HE TYR 68 -5.970 -2.621 -4.148 526 HH TYR 68 HH TYR 68 -7.524 -4.465 -6.800 527 H GLU 69 H GLU 69 -12.667 -3.576 -0.597 528 HA GLU 69 HA GLU 69 -12.965 -2.908 2.278 529 HB2 GLU 69 1HB GLU 69 -14.811 -2.570 0.707 530 HB3 GLU 69 2HB GLU 69 -14.846 -4.269 0.321 531 HG2 GLU 69 1HG GLU 69 -16.480 -3.143 2.010 532 HG3 GLU 69 2HG GLU 69 -15.928 -4.791 2.298 533 H VAL 70 H VAL 70 -12.192 -4.409 3.671 534 HA VAL 70 HA VAL 70 -11.657 -7.177 2.724 535 HB VAL 70 HB VAL 70 -9.518 -7.206 3.852 536 HG11 VAL 70 1HG1 VAL 70 -9.605 -6.510 1.460 537 HG12 VAL 70 2HG1 VAL 70 -9.537 -4.822 1.980 538 HG13 VAL 70 3HG1 VAL 70 -8.181 -5.915 2.328 539 HG21 VAL 70 3HG2 VAL 70 -9.861 -5.531 5.629 540 HG22 VAL 70 1HG2 VAL 70 -8.381 -5.214 4.703 541 HG23 VAL 70 2HG2 VAL 70 -9.840 -4.246 4.412 542 H ASP 71 H ASP 71 -11.580 -8.720 4.479 543 HA ASP 71 HA ASP 71 -13.370 -7.818 6.704 544 HB2 ASP 71 1HB ASP 71 -12.946 -10.663 5.751 545 HB3 ASP 71 2HB ASP 71 -13.768 -10.141 7.232 546 H GLU 72 H GLU 72 -12.862 -8.806 8.751 547 HA GLU 72 HA GLU 72 -10.478 -7.946 9.747 548 HB2 GLU 72 1HB GLU 72 -12.864 -9.308 10.638 549 HB3 GLU 72 2HB GLU 72 -11.506 -10.138 11.387 550 HG2 GLU 72 1HG GLU 72 -11.803 -7.128 11.321 551 HG3 GLU 72 2HG GLU 72 -12.500 -8.103 12.623 552 H GLN 73 H GLN 73 -11.054 -11.105 8.353 553 HA GLN 73 HA GLN 73 -8.695 -12.296 9.501 554 HB2 GLN 73 1HB GLN 73 -10.854 -13.374 8.348 555 HB3 GLN 73 2HB GLN 73 -9.873 -13.240 6.883 556 HG2 GLN 73 1HG GLN 73 -9.751 -15.452 7.981 557 HG3 GLN 73 2HG GLN 73 -8.168 -14.681 7.839 558 HE21 GLN 73 1HE2 GLN 73 -7.007 -14.309 9.705 559 HE22 GLN 73 2HE2 GLN 73 -7.523 -14.621 11.337 560 H MET 74 H MET 74 -9.309 -10.428 6.500 561 HA MET 74 HA MET 74 -6.608 -11.008 5.465 562 HB2 MET 74 1HB MET 74 -8.384 -10.535 3.847 563 HB3 MET 74 2HB MET 74 -8.755 -9.013 4.618 564 HG2 MET 74 1HG MET 74 -7.002 -7.912 3.660 565 HG3 MET 74 2HG MET 74 -5.907 -9.272 3.888 566 HE1 MET 74 3HE MET 74 -7.981 -11.390 1.558 567 HE2 MET 74 1HE MET 74 -6.323 -11.515 0.932 568 HE3 MET 74 2HE MET 74 -6.611 -11.519 2.681 569 H LEU 75 H LEU 75 -8.359 -8.251 7.025 570 HA LEU 75 HA LEU 75 -6.047 -6.586 7.027 571 HB2 LEU 75 1HB LEU 75 -8.685 -6.317 7.964 572 HB3 LEU 75 2HB LEU 75 -7.703 -6.115 9.400 573 HG LEU 75 HG LEU 75 -7.466 -4.537 6.798 574 HD11 LEU 75 1HD1 LEU 75 -9.398 -3.956 8.221 575 HD12 LEU 75 2HD1 LEU 75 -8.226 -2.625 8.136 576 HD13 LEU 75 3HD1 LEU 75 -8.298 -3.640 9.584 577 HD21 LEU 75 3HD2 LEU 75 -5.212 -4.654 7.745 578 HD22 LEU 75 1HD2 LEU 75 -5.828 -4.175 9.339 579 HD23 LEU 75 2HD2 LEU 75 -5.880 -3.039 7.973 580 H ARG 76 H ARG 76 -6.867 -9.269 9.187 581 HA ARG 76 HA ARG 76 -4.722 -8.672 11.064 582 HB2 ARG 76 1HB ARG 76 -6.595 -11.012 10.625 583 HB3 ARG 76 2HB ARG 76 -5.117 -11.237 11.556 584 HG2 ARG 76 1HG ARG 76 -5.706 -9.205 12.935 585 HG3 ARG 76 2HG ARG 76 -7.276 -9.157 12.125 586 HD2 ARG 76 1HD ARG 76 -6.249 -11.671 13.479 587 HD3 ARG 76 2HD ARG 76 -6.969 -10.363 14.446 588 HE ARG 76 HE ARG 76 -8.846 -10.719 12.572 589 HH11 ARG 76 1HH1 ARG 76 -7.295 -12.732 15.025 590 HH12 ARG 76 2HH1 ARG 76 -8.595 -13.866 15.173 591 HH21 ARG 76 1HH2 ARG 76 -10.653 -12.185 12.841 592 HH22 ARG 76 2HH2 ARG 76 -10.483 -13.619 13.807 593 H PHE 77 H PHE 77 -4.998 -10.985 8.274 594 HA PHE 77 HA PHE 77 -2.369 -11.938 8.519 595 HB2 PHE 77 1HB PHE 77 -3.902 -12.990 6.936 596 HB3 PHE 77 2HB PHE 77 -4.171 -11.480 6.111 597 HD1 PHE 77 2HD PHE 77 -1.181 -13.663 6.996 598 HD2 PHE 77 1HD PHE 77 -3.094 -11.075 4.169 599 HE1 PHE 77 2HE PHE 77 0.757 -13.897 5.485 600 HE2 PHE 77 1HE PHE 77 -1.133 -11.246 2.652 601 HZ PHE 77 HZ PHE 77 0.825 -12.677 3.318 602 H LEU 78 H LEU 78 -3.518 -9.075 6.697 603 HA LEU 78 HA LEU 78 -0.969 -8.150 5.817 604 HB2 LEU 78 1HB LEU 78 -3.720 -6.983 6.170 605 HB3 LEU 78 2HB LEU 78 -2.394 -5.856 6.032 606 HG LEU 78 HG LEU 78 -1.737 -6.642 3.880 607 HD11 LEU 78 1HD1 LEU 78 -2.955 -8.308 2.610 608 HD12 LEU 78 2HD1 LEU 78 -3.809 -8.802 4.125 609 HD13 LEU 78 3HD1 LEU 78 -2.042 -8.983 3.968 610 HD21 LEU 78 3HD2 LEU 78 -3.625 -5.038 4.009 611 HD22 LEU 78 1HD2 LEU 78 -4.779 -6.400 4.005 612 HD23 LEU 78 2HD2 LEU 78 -3.745 -6.071 2.584 613 H ASP 79 H ASP 79 -2.208 -8.190 9.048 614 HA ASP 79 HA ASP 79 -0.598 -5.939 10.000 615 HB2 ASP 79 1HB ASP 79 -2.972 -7.007 10.839 616 HB3 ASP 79 2HB ASP 79 -1.895 -7.874 11.888 617 H ASP 80 H ASP 80 -0.033 -9.137 9.166 618 HA ASP 80 HA ASP 80 2.123 -9.622 11.201 619 HB2 ASP 80 1HB ASP 80 0.203 -11.076 11.531 620 HB3 ASP 80 2HB ASP 80 0.120 -11.459 9.829 621 H PHE 81 H PHE 81 1.082 -9.961 7.827 622 HA PHE 81 HA PHE 81 3.321 -11.164 6.677 623 HB2 PHE 81 1HB PHE 81 1.226 -10.865 5.532 624 HB3 PHE 81 2HB PHE 81 1.299 -9.119 5.700 625 HD1 PHE 81 2HD PHE 81 3.939 -11.523 4.429 626 HD2 PHE 81 1HD PHE 81 1.276 -8.240 3.541 627 HE1 PHE 81 2HE PHE 81 5.012 -11.229 2.222 628 HE2 PHE 81 1HE PHE 81 2.323 -8.002 1.310 629 HZ PHE 81 HZ PHE 81 4.235 -9.471 0.661 630 H GLU 82 H GLU 82 2.697 -7.709 7.272 631 HA GLU 82 HA GLU 82 5.129 -6.829 5.930 632 HB2 GLU 82 1HB GLU 82 3.070 -5.324 7.607 633 HB3 GLU 82 2HB GLU 82 4.287 -4.563 6.587 634 HG2 GLU 82 1HG GLU 82 2.067 -6.295 5.468 635 HG3 GLU 82 2HG GLU 82 1.979 -4.563 5.701 636 H ASP 83 H ASP 83 4.918 -8.298 8.819 637 HA ASP 83 HA ASP 83 5.482 -8.099 10.894 638 HB2 ASP 83 1HB ASP 83 7.882 -8.228 9.595 639 HB3 ASP 83 2HB ASP 83 8.061 -6.696 10.373 640 H CYS 84 H CYS 84 4.016 -5.734 10.028 641 HA CYS 84 HA CYS 84 4.783 -3.614 11.855 642 HB2 CYS 84 1HB CYS 84 2.176 -3.303 11.822 643 HB3 CYS 84 2HB CYS 84 3.126 -2.927 10.373 644 HG CYS 84 HG CYS 84 1.715 -5.837 11.047 645 HA PRO 85 HA PRO 85 3.440 -2.401 13.559 646 HB2 PRO 85 1HB PRO 85 3.864 -1.830 16.168 647 HB3 PRO 85 2HB PRO 85 2.286 -2.411 15.556 648 HG2 PRO 85 1HG PRO 85 4.491 -4.035 16.875 649 HG3 PRO 85 2HG PRO 85 2.738 -4.028 17.268 650 HD2 PRO 85 1HD PRO 85 3.865 -5.904 15.615 651 HD3 PRO 85 2HD PRO 85 2.208 -5.292 15.351 652 H SER 86 H SER 86 6.059 -4.565 14.006 653 HA SER 86 HA SER 86 8.092 -2.812 14.987 654 HB2 SER 86 1HB SER 86 8.153 -5.341 14.972 655 HB3 SER 86 2HB SER 86 8.440 -5.261 13.223 656 HG SER 86 HG SER 86 10.381 -5.335 14.098 657 H MET 87 H MET 87 7.640 -4.096 11.666 658 HA MET 87 HA MET 87 9.509 -2.202 10.577 659 HB2 MET 87 1HB MET 87 7.603 -4.189 9.351 660 HB3 MET 87 2HB MET 87 8.660 -3.180 8.375 661 HG2 MET 87 1HG MET 87 10.615 -4.196 9.383 662 HG3 MET 87 2HG MET 87 9.634 -5.129 10.480 663 HE1 MET 87 3HE MET 87 9.864 -4.550 6.403 664 HE2 MET 87 1HE MET 87 9.064 -6.072 5.960 665 HE3 MET 87 2HE MET 87 8.167 -4.851 6.862 666 H TYR 88 H TYR 88 5.991 -2.618 9.837 667 HA TYR 88 HA TYR 88 5.843 0.295 9.134 668 HB2 TYR 88 1HB TYR 88 4.079 -2.040 8.301 669 HB3 TYR 88 2HB TYR 88 3.759 -0.361 7.916 670 HD1 TYR 88 2HD TYR 88 5.962 -3.241 7.223 671 HD2 TYR 88 1HD TYR 88 4.973 0.811 6.140 672 HE1 TYR 88 2HE TYR 88 7.142 -3.538 5.077 673 HE2 TYR 88 1HE TYR 88 6.174 0.537 3.992 674 HH TYR 88 HH TYR 88 7.602 -0.959 2.685 675 H GLN 89 H GLN 89 3.420 1.085 9.607 676 HA GLN 89 HA GLN 89 2.155 -0.290 11.862 677 HB2 GLN 89 1HB GLN 89 3.060 2.629 11.964 678 HB3 GLN 89 2HB GLN 89 1.709 2.010 12.902 679 HG2 GLN 89 1HG GLN 89 3.166 1.595 14.514 680 HG3 GLN 89 2HG GLN 89 3.621 0.172 13.613 681 HE21 GLN 89 1HE2 GLN 89 5.680 0.302 12.377 682 HE22 GLN 89 2HE2 GLN 89 6.900 1.460 12.813 683 H ARG 90 H ARG 90 -0.102 -0.102 11.715 684 HA ARG 90 HA ARG 90 -1.134 0.844 9.101 685 HB2 ARG 90 1HB ARG 90 -1.934 -1.274 9.926 686 HB3 ARG 90 2HB ARG 90 -2.440 -0.593 11.457 687 HG2 ARG 90 1HG ARG 90 -3.614 0.429 8.834 688 HG3 ARG 90 2HG ARG 90 -4.191 -1.083 9.484 689 HD2 ARG 90 1HD ARG 90 -4.508 1.636 10.758 690 HD3 ARG 90 2HD ARG 90 -5.743 0.510 10.147 691 HE ARG 90 HE ARG 90 -4.334 -0.848 12.149 692 HH11 ARG 90 1HH1 ARG 90 -6.870 1.530 11.801 693 HH12 ARG 90 2HH1 ARG 90 -7.328 1.528 13.475 694 HH21 ARG 90 1HH2 ARG 90 -5.108 -1.143 14.154 695 HH22 ARG 90 2HH2 ARG 90 -6.447 -0.295 14.809 696 H THR 91 H THR 91 -2.117 2.839 8.807 697 HA THR 91 HA THR 91 -2.953 4.350 11.227 698 HB THR 91 HB THR 91 -1.284 5.274 8.881 699 HG1 THR 91 1HG THR 91 -0.736 4.691 11.663 700 HG21 THR 91 3HG2 THR 91 -0.763 7.291 10.223 701 HG22 THR 91 1HG2 THR 91 -2.017 6.833 11.391 702 HG23 THR 91 2HG2 THR 91 -2.441 7.200 9.698 703 H ALA 92 H ALA 92 -4.341 6.230 10.574 704 HA ALA 92 HA ALA 92 -6.145 5.531 8.318 705 HB1 ALA 92 1HB ALA 92 -7.749 6.986 9.455 706 HB2 ALA 92 2HB ALA 92 -7.206 5.681 10.534 707 HB3 ALA 92 3HB ALA 92 -6.552 7.315 10.739 708 H LEU 93 H LEU 93 -6.146 6.850 6.624 709 HA LEU 93 HA LEU 93 -4.923 9.547 6.658 710 HB2 LEU 93 1HB LEU 93 -3.275 9.001 5.132 711 HB3 LEU 93 2HB LEU 93 -3.277 7.551 6.136 712 HG LEU 93 HG LEU 93 -4.378 7.498 3.503 713 HD11 LEU 93 1HD1 LEU 93 -2.563 6.363 2.893 714 HD12 LEU 93 2HD1 LEU 93 -1.845 6.603 4.549 715 HD13 LEU 93 3HD1 LEU 93 -2.235 7.977 3.471 716 HD21 LEU 93 3HD2 LEU 93 -5.886 6.315 4.836 717 HD22 LEU 93 1HD2 LEU 93 -4.538 5.407 5.548 718 HD23 LEU 93 2HD2 LEU 93 -4.998 5.322 3.809 719 H GLN 94 H GLN 94 -4.897 10.245 4.071 720 HA GLN 94 HA GLN 94 -7.729 10.018 3.373 721 HB2 GLN 94 1HB GLN 94 -6.653 12.275 3.958 722 HB3 GLN 94 2HB GLN 94 -5.702 12.096 2.486 723 HG2 GLN 94 1HG GLN 94 -7.420 13.514 1.855 724 HG3 GLN 94 2HG GLN 94 -7.979 11.977 1.228 725 HE21 GLN 94 1HE2 GLN 94 -9.845 10.817 2.581 726 HE22 GLN 94 2HE2 GLN 94 -10.752 11.903 3.616 727 H VAL 95 H VAL 95 -8.509 9.281 1.483 728 HA VAL 95 HA VAL 95 -6.658 8.837 -0.796 729 HB VAL 95 HB VAL 95 -8.695 6.928 0.439 730 HG11 VAL 95 1HG1 VAL 95 -8.725 6.702 -2.021 731 HG12 VAL 95 2HG1 VAL 95 -6.961 6.478 -2.026 732 HG13 VAL 95 3HG1 VAL 95 -8.025 5.292 -1.242 733 HG21 VAL 95 3HG2 VAL 95 -5.664 6.873 0.228 734 HG22 VAL 95 1HG2 VAL 95 -6.634 6.903 1.714 735 HG23 VAL 95 2HG2 VAL 95 -6.644 5.464 0.703 736 H GLN 96 H GLN 96 -7.632 9.524 -2.775 737 HA GLN 96 HA GLN 96 -10.238 10.784 -2.823 738 HB2 GLN 96 1HB GLN 96 -8.673 11.962 -4.109 739 HB3 GLN 96 2HB GLN 96 -7.870 10.495 -4.696 740 HG2 GLN 96 1HG GLN 96 -9.833 9.969 -6.063 741 HG3 GLN 96 2HG GLN 96 -10.688 11.360 -5.443 742 HE21 GLN 96 1HE2 GLN 96 -10.071 13.367 -6.068 743 HE22 GLN 96 2HE2 GLN 96 -9.110 13.774 -7.500 744 H VAL 97 H VAL 97 -11.851 9.480 -3.199 745 HA VAL 97 HA VAL 97 -11.669 6.752 -4.222 746 HB VAL 97 HB VAL 97 -13.498 7.787 -2.643 747 HG11 VAL 97 1HG1 VAL 97 -14.391 9.332 -4.874 748 HG12 VAL 97 2HG1 VAL 97 -15.222 8.935 -3.356 749 HG13 VAL 97 3HG1 VAL 97 -13.604 9.731 -3.287 750 HG21 VAL 97 3HG2 VAL 97 -13.796 5.637 -4.082 751 HG22 VAL 97 1HG2 VAL 97 -15.286 6.505 -3.616 752 HG23 VAL 97 2HG2 VAL 97 -14.622 6.684 -5.259 753 H LEU 98 H LEU 98 -11.210 6.475 -6.370 754 HA LEU 98 HA LEU 98 -11.531 8.808 -8.218 755 HB2 LEU 98 1HB LEU 98 -9.858 6.381 -8.204 756 HB3 LEU 98 2HB LEU 98 -10.821 6.491 -9.672 757 HG LEU 98 HG LEU 98 -8.832 7.420 -10.241 758 HD11 LEU 98 1HD1 LEU 98 -10.992 8.760 -10.758 759 HD12 LEU 98 2HD1 LEU 98 -9.446 9.523 -11.056 760 HD13 LEU 98 3HD1 LEU 98 -10.360 9.954 -9.604 761 HD21 LEU 98 3HD2 LEU 98 -7.672 9.250 -8.998 762 HD22 LEU 98 1HD2 LEU 98 -7.705 7.724 -8.134 763 HD23 LEU 98 2HD2 LEU 98 -8.830 9.046 -7.692 764 H GLU 99 H GLU 99 -12.931 5.707 -7.260 765 HA GLU 99 HA GLU 99 -15.348 6.043 -8.786 766 HB2 GLU 99 1HB GLU 99 -13.674 5.010 -10.385 767 HB3 GLU 99 2HB GLU 99 -13.452 3.688 -9.250 768 HG2 GLU 99 1HG GLU 99 -15.640 2.857 -9.653 769 HG3 GLU 99 2HG GLU 99 -16.122 4.333 -10.494 770 H TRP 100 H TRP 100 -16.910 4.678 -7.715 771 HA TRP 100 HA TRP 100 -15.918 3.140 -5.362 772 HB2 TRP 100 1HB TRP 100 -16.907 5.330 -4.716 773 HB3 TRP 100 2HB TRP 100 -18.431 4.832 -5.447 774 HD1 TRP 100 HD TRP 100 -20.039 3.613 -3.811 775 HE1 TRP 100 1HE TRP 100 -19.900 2.566 -1.497 776 HE3 TRP 100 3HE TRP 100 -15.062 4.265 -2.957 777 HZ2 TRP 100 2HZ TRP 100 -17.856 2.071 0.514 778 HZ3 TRP 100 3HZ TRP 100 -14.044 3.555 -0.813 779 HH2 TRP 100 HH TRP 100 -15.433 2.451 0.918 780 H GLU 101 H GLU 101 -16.880 1.201 -5.093 781 HA GLU 101 HA GLU 101 -18.908 0.314 -7.095 782 HB2 GLU 101 1HB GLU 101 -16.773 -1.135 -5.508 783 HB3 GLU 101 2HB GLU 101 -18.143 -2.000 -6.163 784 HG2 GLU 101 1HG GLU 101 -16.225 -0.363 -7.856 785 HG3 GLU 101 2HG GLU 101 -16.113 -2.081 -7.610 786 H GLY 102 H GLY 102 -20.885 0.815 -6.183 787 HA2 GLY 102 2HA GLY 102 -22.593 -0.295 -5.130 788 HA3 GLY 102 1HA GLY 102 -21.525 -0.812 -3.828 789 H ASP 103 H ASP 103 -23.297 -0.191 -2.514 790 HA ASP 103 HA ASP 103 -24.032 2.613 -2.203 791 HB2 ASP 103 1HB ASP 103 -25.494 0.526 -1.759 792 HB3 ASP 103 2HB ASP 103 -24.532 0.338 -0.277 793 H GLY 104 H GLY 104 -23.671 3.735 -0.174 794 HA2 GLY 104 2HA GLY 104 -22.540 4.319 1.790 795 HA3 GLY 104 1HA GLY 104 -21.553 2.856 1.678 796 H ASP 105 H ASP 105 -22.205 5.692 -0.275 797 HA ASP 105 HA ASP 105 -19.590 5.936 -1.412 798 HB2 ASP 105 1HB ASP 105 -21.406 6.055 -2.897 799 HB3 ASP 105 2HB ASP 105 -22.284 7.206 -1.876 800 HA PRO 106 HA PRO 106 -19.088 8.752 2.166 801 HB2 PRO 106 1HB PRO 106 -16.375 8.806 2.314 802 HB3 PRO 106 2HB PRO 106 -17.321 7.347 2.743 803 HG2 PRO 106 1HG PRO 106 -15.975 7.984 0.087 804 HG3 PRO 106 2HG PRO 106 -15.844 6.479 1.065 805 HD2 PRO 106 1HD PRO 106 -17.571 6.696 -1.009 806 HD3 PRO 106 2HD PRO 106 -17.950 5.756 0.464 807 H GLY 107 H GLY 107 -18.554 9.516 -1.140 808 HA2 GLY 107 2HA GLY 107 -18.487 11.671 -2.059 809 HA3 GLY 107 1HA GLY 107 -17.928 12.347 -0.530 810 H ASP 108 H ASP 108 -16.535 13.146 -2.585 811 HA ASP 108 HA ASP 108 -14.864 11.254 -3.843 812 HB2 ASP 108 1HB ASP 108 -14.231 14.257 -3.743 813 HB3 ASP 108 2HB ASP 108 -13.942 13.175 -5.093 814 H SER 109 H SER 109 -14.176 12.354 -0.763 815 HA SER 109 HA SER 109 -11.879 10.757 -1.377 816 HB2 SER 109 1HB SER 109 -10.411 11.816 0.106 817 HB3 SER 109 2HB SER 109 -10.786 12.905 -1.233 818 HG SER 109 HG SER 109 -10.756 13.773 1.051 819 H VAL 110 H VAL 110 -11.503 9.208 0.101 820 HA VAL 110 HA VAL 110 -13.422 8.966 2.340 821 HB VAL 110 HB VAL 110 -13.695 7.344 0.516 822 HG11 VAL 110 1HG1 VAL 110 -12.052 5.553 0.113 823 HG12 VAL 110 2HG1 VAL 110 -11.448 7.137 -0.387 824 HG13 VAL 110 3HG1 VAL 110 -10.877 6.411 1.133 825 HG21 VAL 110 3HG2 VAL 110 -14.206 6.724 2.894 826 HG22 VAL 110 1HG2 VAL 110 -13.843 5.352 1.833 827 HG23 VAL 110 2HG2 VAL 110 -12.619 5.922 2.970 828 H GLN 111 H GLN 111 -12.564 8.135 4.275 829 HA GLN 111 HA GLN 111 -9.652 8.373 4.733 830 HB2 GLN 111 1HB GLN 111 -10.909 9.558 6.350 831 HB3 GLN 111 2HB GLN 111 -12.039 8.237 6.599 832 HG2 GLN 111 1HG GLN 111 -9.067 7.896 7.182 833 HG3 GLN 111 2HG GLN 111 -10.152 8.681 8.325 834 HE21 GLN 111 1HE2 GLN 111 -8.917 5.632 7.441 835 HE22 GLN 111 2HE2 GLN 111 -10.214 4.629 8.008 836 H CYS 112 H CYS 112 -8.650 6.533 4.215 837 HA CYS 112 HA CYS 112 -9.977 3.895 4.696 838 HB2 CYS 112 1HB CYS 112 -7.794 4.708 2.733 839 HB3 CYS 112 2HB CYS 112 -8.037 3.032 3.228 840 HG CYS 112 HG CYS 112 -9.164 3.279 0.928 841 H PHE 113 H PHE 113 -8.199 2.219 5.354 842 HA PHE 113 HA PHE 113 -6.110 3.464 7.060 843 HB2 PHE 113 1HB PHE 113 -6.846 0.536 6.819 844 HB3 PHE 113 2HB PHE 113 -5.624 1.218 7.867 845 HD1 PHE 113 1HD PHE 113 -6.420 3.083 9.538 846 HD2 PHE 113 2HD PHE 113 -9.028 0.208 7.681 847 HE1 PHE 113 1HE PHE 113 -8.239 3.674 11.164 848 HE2 PHE 113 2HE PHE 113 -10.821 0.784 9.288 849 HZ PHE 113 HZ PHE 113 -10.436 2.546 11.005 850 H VAL 114 H VAL 114 -3.967 3.134 6.540 851 HA VAL 114 HA VAL 114 -3.175 1.581 4.203 852 HB VAL 114 HB VAL 114 -2.830 4.645 4.445 853 HG11 VAL 114 1HG1 VAL 114 -1.027 2.713 2.829 854 HG12 VAL 114 2HG1 VAL 114 -1.045 4.487 2.730 855 HG13 VAL 114 3HG1 VAL 114 -0.475 3.684 4.191 856 HG21 VAL 114 3HG2 VAL 114 -4.549 3.450 3.018 857 HG22 VAL 114 1HG2 VAL 114 -3.491 4.620 2.250 858 HG23 VAL 114 2HG2 VAL 114 -3.217 2.859 2.029 859 H TYR 115 H TYR 115 -0.917 0.913 4.455 860 HA TYR 115 HA TYR 115 -0.009 0.906 7.280 861 HB2 TYR 115 1HB TYR 115 0.733 -0.746 4.850 862 HB3 TYR 115 2HB TYR 115 1.711 -0.697 6.308 863 HD1 TYR 115 2HD TYR 115 -1.670 -1.649 4.991 864 HD2 TYR 115 1HD TYR 115 1.089 -1.862 8.315 865 HE1 TYR 115 2HE TYR 115 -3.124 -3.319 6.095 866 HE2 TYR 115 1HE TYR 115 -0.370 -3.526 9.411 867 HH TYR 115 HH TYR 115 -2.067 -5.235 8.696 868 H THR 116 H THR 116 1.397 2.435 7.831 869 HA THR 116 HA THR 116 3.107 3.653 5.763 870 HB THR 116 HB THR 116 2.773 5.828 6.956 871 HG1 THR 116 1HG THR 116 1.942 5.102 8.958 872 HG21 THR 116 3HG2 THR 116 1.422 5.117 4.938 873 HG22 THR 116 1HG2 THR 116 0.653 6.342 5.957 874 HG23 THR 116 2HG2 THR 116 0.114 4.670 6.063 875 H THR 117 H THR 117 4.701 5.196 7.418 876 HA THR 117 HA THR 117 5.359 3.636 9.781 877 HB THR 117 HB THR 117 6.840 2.468 8.429 878 HG1 THR 117 1HG THR 117 8.916 3.423 8.884 879 HG21 THR 117 3HG2 THR 117 7.531 5.026 6.941 880 HG22 THR 117 1HG2 THR 117 6.630 3.636 6.294 881 HG23 THR 117 2HG2 THR 117 8.321 3.454 6.694 882 H ALA 118 H ALA 118 6.242 4.843 11.339 883 HA ALA 118 HA ALA 118 6.682 7.742 10.877 884 HB1 ALA 118 1HB ALA 118 5.848 6.259 13.402 885 HB2 ALA 118 2HB ALA 118 6.125 8.011 13.258 886 HB3 ALA 118 3HB ALA 118 4.800 7.252 12.358 887 H THR 119 H THR 119 8.291 4.744 11.410 888 HA THR 119 HA THR 119 10.303 5.825 13.263 889 HB THR 119 HB THR 119 9.110 3.821 13.893 890 HG1 THR 119 1HG THR 119 11.800 3.326 13.205 891 HG21 THR 119 3HG2 THR 119 10.210 2.505 11.379 892 HG22 THR 119 1HG2 THR 119 8.500 2.802 11.772 893 HG23 THR 119 2HG2 THR 119 9.440 1.654 12.731 894 H TYR 120 H TYR 120 10.180 6.423 10.283 895 HA TYR 120 HA TYR 120 12.090 4.922 8.859 896 HB2 TYR 120 1HB TYR 120 11.993 6.926 7.290 897 HB3 TYR 120 2HB TYR 120 10.492 6.110 7.689 898 HD1 TYR 120 2HD TYR 120 12.436 9.221 8.214 899 HD2 TYR 120 1HD TYR 120 8.703 7.184 8.904 900 HE1 TYR 120 2HE TYR 120 11.436 11.334 9.131 901 HE2 TYR 120 1HE TYR 120 7.685 9.282 9.699 902 HH TYR 120 HH TYR 120 7.976 11.463 10.135 903 H ALA 121 H ALA 121 14.098 5.438 8.053 904 HA ALA 121 HA ALA 121 16.047 6.621 9.813 905 HB1 ALA 121 1HB ALA 121 16.408 4.681 8.210 906 HB2 ALA 121 2HB ALA 121 16.246 5.819 6.867 907 HB3 ALA 121 3HB ALA 121 17.591 5.991 8.017 908 HA PRO 122 HA PRO 122 15.838 10.734 8.092 909 HB2 PRO 122 1HB PRO 122 18.419 11.672 8.276 910 HB3 PRO 122 2HB PRO 122 17.290 11.476 9.644 911 HG2 PRO 122 1HG PRO 122 19.489 9.621 8.778 912 HG3 PRO 122 2HG PRO 122 19.074 10.132 10.436 913 HD2 PRO 122 1HD PRO 122 18.259 7.733 9.397 914 HD3 PRO 122 2HD PRO 122 17.259 8.660 10.550 915 H GLU 123 H GLU 123 18.487 8.677 6.725 916 HA GLU 123 HA GLU 123 18.874 10.089 4.350 917 HB2 GLU 123 1HB GLU 123 19.239 7.726 3.327 918 HB3 GLU 123 2HB GLU 123 20.362 8.390 4.483 919 HG2 GLU 123 1HG GLU 123 18.139 6.707 5.627 920 HG3 GLU 123 2HG GLU 123 19.342 5.881 4.631 921 H TRP 124 H TRP 124 16.141 8.073 5.206 922 HA TRP 124 HA TRP 124 15.212 7.784 2.518 923 HB2 TRP 124 1HB TRP 124 13.921 7.282 5.225 924 HB3 TRP 124 2HB TRP 124 13.202 6.799 3.725 925 HD1 TRP 124 HD TRP 124 16.827 6.087 3.377 926 HE1 TRP 124 1HE TRP 124 17.425 3.701 3.944 927 HE3 TRP 124 3HE TRP 124 12.371 4.646 5.440 928 HZ2 TRP 124 2HZ TRP 124 16.065 1.332 4.962 929 HZ3 TRP 124 3HZ TRP 124 12.065 2.286 6.172 930 HH2 TRP 124 HH TRP 124 13.894 0.644 5.950 931 H LEU 125 H LEU 125 15.159 10.479 4.551 932 HA LEU 125 HA LEU 125 12.668 11.661 3.562 933 HB2 LEU 125 1HB LEU 125 15.056 12.840 4.991 934 HB3 LEU 125 2HB LEU 125 13.571 13.701 4.600 935 HG LEU 125 HG LEU 125 13.542 11.193 6.339 936 HD11 LEU 125 1HD1 LEU 125 14.987 12.834 7.403 937 HD12 LEU 125 2HD1 LEU 125 13.437 12.742 8.258 938 HD13 LEU 125 3HD1 LEU 125 13.777 14.101 7.157 939 HD21 LEU 125 3HD2 LEU 125 11.555 13.455 5.798 940 HD22 LEU 125 1HD2 LEU 125 11.357 12.258 7.074 941 HD23 LEU 125 2HD2 LEU 125 11.375 11.736 5.391 942 H PHE 126 H PHE 126 16.034 11.432 2.534 943 HA PHE 126 HA PHE 126 15.778 13.743 0.727 944 HB2 PHE 126 1HB PHE 126 18.140 11.889 0.978 945 HB3 PHE 126 2HB PHE 126 18.122 13.545 0.415 946 HD1 PHE 126 1HD PHE 126 17.039 15.247 2.401 947 HD2 PHE 126 2HD PHE 126 19.191 11.579 2.976 948 HE1 PHE 126 1HE PHE 126 17.543 15.910 4.742 949 HE2 PHE 126 2HE PHE 126 19.586 12.173 5.375 950 HZ PHE 126 HZ PHE 126 18.772 14.348 6.247 951 H LEU 127 H LEU 127 15.300 10.353 0.588 952 HA LEU 127 HA LEU 127 16.167 9.639 -1.996 953 HB2 LEU 127 1HB LEU 127 13.910 8.665 -0.200 954 HB3 LEU 127 2HB LEU 127 14.223 7.902 -1.744 955 HG LEU 127 HG LEU 127 16.234 8.082 0.532 956 HD11 LEU 127 1HD1 LEU 127 15.804 5.694 0.814 957 HD12 LEU 127 2HD1 LEU 127 14.653 5.710 -0.540 958 HD13 LEU 127 3HD1 LEU 127 14.271 6.576 0.952 959 HD21 LEU 127 3HD2 LEU 127 16.390 6.605 -2.136 960 HD22 LEU 127 1HD2 LEU 127 17.496 6.376 -0.769 961 HD23 LEU 127 2HD2 LEU 127 17.443 7.934 -1.587 962 HA PRO 128 HA PRO 128 13.201 11.403 -4.832 963 HB2 PRO 128 1HB PRO 128 12.788 9.406 -6.654 964 HB3 PRO 128 2HB PRO 128 14.326 10.324 -6.554 965 HG2 PRO 128 1HG PRO 128 13.670 7.651 -5.247 966 HG3 PRO 128 2HG PRO 128 15.066 8.037 -6.296 967 HD2 PRO 128 1HD PRO 128 15.340 8.128 -3.634 968 HD3 PRO 128 2HD PRO 128 16.041 9.449 -4.613 969 H TYR 129 H TYR 129 10.957 11.151 -5.522 970 HA TYR 129 HA TYR 129 9.382 9.449 -3.653 971 HB2 TYR 129 1HB TYR 129 8.639 12.102 -4.889 972 HB3 TYR 129 2HB TYR 129 7.687 11.190 -3.729 973 HD1 TYR 129 1HD TYR 129 9.931 10.503 -1.777 974 HD2 TYR 129 2HD TYR 129 9.083 14.179 -3.838 975 HE1 TYR 129 1HE TYR 129 11.294 11.727 -0.114 976 HE2 TYR 129 2HE TYR 129 10.338 15.427 -2.149 977 HH TYR 129 HH TYR 129 12.170 13.772 0.492 978 H HIS 130 H HIS 130 7.293 8.688 -4.571 979 HA HIS 130 HA HIS 130 7.231 8.665 -7.534 980 HB2 HIS 130 1HB HIS 130 7.072 6.233 -5.685 981 HB3 HIS 130 2HB HIS 130 6.769 6.218 -7.421 982 HD1 HIS 130 1HD HIS 130 8.751 5.203 -8.727 983 HD2 HIS 130 2HD HIS 130 9.848 7.119 -5.119 984 HE1 HIS 130 1HE HIS 130 11.270 5.025 -8.535 985 H GLU 131 H GLU 131 5.271 8.367 -8.448 986 HA GLU 131 HA GLU 131 2.908 8.939 -6.809 987 HB2 GLU 131 1HB GLU 131 3.716 9.029 -9.701 988 HB3 GLU 131 2HB GLU 131 2.002 8.724 -9.371 989 HG2 GLU 131 1HG GLU 131 2.077 10.745 -7.819 990 HG3 GLU 131 2HG GLU 131 3.675 11.092 -8.513 991 H SER 132 H SER 132 4.480 6.092 -7.717 992 HA SER 132 HA SER 132 2.306 4.417 -6.905 993 HB2 SER 132 1HB SER 132 1.631 4.998 -9.300 994 HB3 SER 132 2HB SER 132 3.153 4.336 -9.840 995 HG SER 132 HG SER 132 1.450 2.856 -10.045 996 H TYR 133 H TYR 133 2.993 2.080 -7.230 997 HA TYR 133 HA TYR 133 5.894 1.767 -7.610 998 HB2 TYR 133 1HB TYR 133 5.370 1.622 -5.175 999 HB3 TYR 133 2HB TYR 133 4.315 0.253 -5.514 1000 HD1 TYR 133 2HD TYR 133 7.774 1.185 -6.822 1001 HD2 TYR 133 1HD TYR 133 5.378 -1.685 -4.637 1002 HE1 TYR 133 2HE TYR 133 9.708 -0.318 -6.661 1003 HE2 TYR 133 1HE TYR 133 7.343 -3.120 -4.392 1004 HH TYR 133 HH TYR 133 9.849 -3.047 -4.535 1005 H ASP 134 H ASP 134 5.613 1.263 -9.670 1006 HA ASP 134 HA ASP 134 3.635 -0.693 -10.587 1007 HB2 ASP 134 1HB ASP 134 4.273 0.261 -12.786 1008 HB3 ASP 134 2HB ASP 134 3.686 1.485 -11.676 1009 H SER 135 H SER 135 4.555 -2.670 -10.080 1010 HA SER 135 HA SER 135 7.257 -3.425 -10.424 1011 HB2 SER 135 1HB SER 135 5.406 -4.443 -9.079 1012 HB3 SER 135 2HB SER 135 4.772 -5.175 -10.562 1013 HG SER 135 HG SER 135 6.458 -6.457 -10.663 1014 H GLU 136 H GLU 136 5.598 -2.287 -12.916 1015 HA GLU 136 HA GLU 136 6.240 -4.426 -14.874 1016 HB2 GLU 136 1HB GLU 136 3.729 -2.713 -14.767 1017 HB3 GLU 136 2HB GLU 136 4.125 -3.955 -15.967 1018 HG2 GLU 136 1HG GLU 136 4.218 -5.623 -14.017 1019 HG3 GLU 136 2HG GLU 136 3.470 -4.362 -13.023 1020 H GLY 137 H GLY 137 7.392 -1.666 -13.911 1021 HA2 GLY 137 2HA GLY 137 7.236 -0.012 -16.353 1022 HA3 GLY 137 1HA GLY 137 7.852 0.414 -14.751 1023 HA PRO 138 HA PRO 138 11.543 -0.656 -17.445 1024 HB2 PRO 138 1HB PRO 138 12.523 1.829 -17.911 1025 HB3 PRO 138 2HB PRO 138 11.184 1.156 -18.892 1026 HG2 PRO 138 1HG PRO 138 10.951 2.958 -16.446 1027 HG3 PRO 138 2HG PRO 138 10.240 3.229 -18.076 1028 HD2 PRO 138 1HD PRO 138 8.870 2.102 -16.011 1029 HD3 PRO 138 2HD PRO 138 8.628 1.540 -17.690 1030 H HIS 139 H HIS 139 10.736 0.725 -14.396 1031 HA HIS 139 HA HIS 139 13.132 1.923 -13.672 1032 HB2 HIS 139 1HB HIS 139 11.006 0.629 -11.945 1033 HB3 HIS 139 2HB HIS 139 12.264 1.701 -11.336 1034 HD1 HIS 139 1HD HIS 139 12.261 4.217 -12.869 1035 HD2 HIS 139 2HD HIS 139 8.749 1.948 -12.287 1036 HE1 HIS 139 1HE HIS 139 10.344 5.758 -13.335 1037 H GLY 140 H GLY 140 12.428 -1.460 -13.720 1038 HA2 GLY 140 2HA GLY 140 13.894 -3.215 -13.686 1039 HA3 GLY 140 1HA GLY 140 15.205 -2.100 -13.301 1040 H LEU 141 H LEU 141 14.262 -1.030 -10.909 1041 HA LEU 141 HA LEU 141 14.591 -3.125 -8.909 1042 HB2 LEU 141 1HB LEU 141 14.106 -1.188 -7.348 1043 HB3 LEU 141 2HB LEU 141 15.564 -1.108 -8.284 1044 HG LEU 141 HG LEU 141 13.486 0.275 -9.756 1045 HD11 LEU 141 1HD1 LEU 141 12.337 0.435 -7.565 1046 HD12 LEU 141 2HD1 LEU 141 12.817 1.989 -8.256 1047 HD13 LEU 141 3HD1 LEU 141 13.766 1.288 -6.918 1048 HD21 LEU 141 3HD2 LEU 141 15.926 1.265 -8.240 1049 HD22 LEU 141 1HD2 LEU 141 14.950 2.261 -9.340 1050 HD23 LEU 141 2HD2 LEU 141 15.833 0.845 -9.957 1051 H ARG 142 H ARG 142 12.858 -4.544 -8.893 1052 HA ARG 142 HA ARG 142 10.212 -3.436 -8.105 1053 HB2 ARG 142 1HB ARG 142 10.845 -5.983 -9.699 1054 HB3 ARG 142 2HB ARG 142 9.265 -5.535 -9.062 1055 HG2 ARG 142 1HG ARG 142 9.052 -4.790 -11.187 1056 HG3 ARG 142 2HG ARG 142 9.594 -3.317 -10.349 1057 HD2 ARG 142 1HD ARG 142 11.644 -3.303 -11.316 1058 HD3 ARG 142 2HD ARG 142 11.667 -5.033 -11.685 1059 HE ARG 142 HE ARG 142 10.353 -2.853 -13.194 1060 HH11 ARG 142 1HH1 ARG 142 10.596 -6.392 -12.690 1061 HH12 ARG 142 2HH1 ARG 142 9.483 -6.750 -13.944 1062 HH21 ARG 142 1HH2 ARG 142 9.346 -3.437 -15.215 1063 HH22 ARG 142 2HH2 ARG 142 8.839 -5.095 -15.463 1064 H TYR 143 H TYR 143 9.015 -4.968 -6.693 1065 HA TYR 143 HA TYR 143 10.658 -5.614 -4.463 1066 HB2 TYR 143 1HB TYR 143 8.317 -4.992 -4.217 1067 HB3 TYR 143 2HB TYR 143 7.806 -6.437 -5.088 1068 HD1 TYR 143 2HD TYR 143 10.365 -6.005 -2.318 1069 HD2 TYR 143 1HD TYR 143 6.579 -7.720 -3.500 1070 HE1 TYR 143 2HE TYR 143 10.331 -7.345 -0.273 1071 HE2 TYR 143 1HE TYR 143 6.509 -8.993 -1.410 1072 HH TYR 143 HH TYR 143 9.237 -8.893 0.947 1073 H ASN 144 H ASN 144 11.790 -7.372 -3.930 1074 HA ASN 144 HA ASN 144 11.414 -9.835 -5.582 1075 HB2 ASN 144 1HB ASN 144 13.983 -8.550 -4.572 1076 HB3 ASN 144 2HB ASN 144 13.876 -10.199 -5.169 1077 HD21 ASN 144 1HD2 ASN 144 14.373 -6.920 -6.181 1078 HD22 ASN 144 2HD2 ASN 144 14.377 -7.301 -7.872 1079 HA PRO 145 HA PRO 145 10.755 -10.941 -1.126 1080 HB2 PRO 145 1HB PRO 145 8.474 -12.455 -1.481 1081 HB3 PRO 145 2HB PRO 145 8.476 -10.698 -1.247 1082 HG2 PRO 145 1HG PRO 145 8.313 -12.199 -3.866 1083 HG3 PRO 145 2HG PRO 145 7.316 -10.815 -3.297 1084 HD2 PRO 145 1HD PRO 145 9.444 -10.558 -4.981 1085 HD3 PRO 145 2HD PRO 145 9.066 -9.321 -3.754 1086 H ARG 146 H ARG 146 10.174 -13.066 -4.024 1087 HA ARG 146 HA ARG 146 11.706 -15.187 -2.629 1088 HB2 ARG 146 1HB ARG 146 8.965 -15.198 -2.747 1089 HB3 ARG 146 2HB ARG 146 9.326 -15.931 -4.322 1090 HG2 ARG 146 1HG ARG 146 10.906 -17.520 -3.011 1091 HG3 ARG 146 2HG ARG 146 10.172 -16.827 -1.559 1092 HD2 ARG 146 1HD ARG 146 7.875 -17.401 -2.800 1093 HD3 ARG 146 2HD ARG 146 8.893 -18.592 -3.633 1094 HE ARG 146 HE ARG 146 8.966 -18.402 -0.682 1095 HH11 ARG 146 1HH1 ARG 146 7.266 -20.033 -3.336 1096 HH12 ARG 146 2HH1 ARG 146 7.142 -21.548 -2.512 1097 HH21 ARG 146 1HH2 ARG 146 8.607 -20.359 0.499 1098 HH22 ARG 146 2HH2 ARG 146 7.715 -21.655 -0.229 1099 H GLU 147 H GLU 147 11.700 -13.280 -5.129 1100 HA GLU 147 HA GLU 147 11.822 -14.921 -7.440 1101 HB2 GLU 147 1HB GLU 147 13.072 -12.189 -7.237 1102 HB3 GLU 147 2HB GLU 147 12.274 -12.965 -8.609 1103 HG2 GLU 147 1HG GLU 147 11.009 -11.851 -6.107 1104 HG3 GLU 147 2HG GLU 147 10.863 -11.177 -7.730 1105 H ASN 148 H ASN 148 14.151 -13.648 -5.123 1106 HA ASN 148 HA ASN 148 16.163 -15.626 -5.964 1107 HB2 ASN 148 1HB ASN 148 17.961 -14.209 -5.955 1108 HB3 ASN 148 2HB ASN 148 16.770 -13.308 -6.859 1109 HD21 ASN 148 1HD2 ASN 148 15.524 -11.613 -5.510 1110 HD22 ASN 148 2HD2 ASN 148 16.575 -10.651 -4.488 1111 H ARG 149 H ARG 149 14.055 -15.653 -3.888 1112 HA ARG 149 HA ARG 149 13.657 -15.886 -1.699 1113 HB2 ARG 149 1HB ARG 149 16.502 -16.912 -1.635 1114 HB3 ARG 149 2HB ARG 149 15.318 -17.193 -0.400 1115 HG2 ARG 149 1HG ARG 149 15.268 -18.257 -3.271 1116 HG3 ARG 149 2HG ARG 149 15.598 -19.156 -1.776 1117 HD2 ARG 149 1HD ARG 149 13.343 -18.161 -0.989 1118 HD3 ARG 149 2HD ARG 149 13.012 -17.911 -2.692 1119 HE ARG 149 HE ARG 149 13.357 -20.504 -1.281 1120 HH11 ARG 149 1HH1 ARG 149 12.850 -18.927 -4.435 1121 HH12 ARG 149 2HH1 ARG 149 12.336 -20.377 -5.208 1122 HH21 ARG 149 1HH2 ARG 149 12.602 -22.355 -2.291 1123 HH22 ARG 149 2HH2 ARG 149 12.151 -22.378 -3.967 Start of MODEL 9 1 H1 MET 1 H MET 1 -16.488 1.982 7.704 2 HA MET 1 HA MET 1 -13.819 2.918 8.542 3 HB2 MET 1 1HB MET 1 -15.745 2.547 10.301 4 HB3 MET 1 2HB MET 1 -15.452 0.828 10.002 5 HG2 MET 1 1HG MET 1 -12.987 1.324 10.623 6 HG3 MET 1 2HG MET 1 -13.595 2.864 11.247 7 HE1 MET 1 3HE MET 1 -12.913 0.538 14.431 8 HE2 MET 1 1HE MET 1 -11.969 0.758 12.941 9 HE3 MET 1 2HE MET 1 -12.653 2.164 13.782 10 H ALA 2 H ALA 2 -12.260 1.002 8.982 11 HA ALA 2 HA ALA 2 -10.884 -0.188 7.748 12 HB1 ALA 2 1HB ALA 2 -11.362 -2.435 7.284 13 HB2 ALA 2 2HB ALA 2 -12.231 -2.034 8.753 14 HB3 ALA 2 3HB ALA 2 -13.120 -2.139 7.207 15 H HIS 3 H HIS 3 -11.509 -1.684 5.337 16 HA HIS 3 HA HIS 3 -11.289 -1.473 3.133 17 HB2 HIS 3 1HB HIS 3 -12.012 1.412 3.425 18 HB3 HIS 3 2HB HIS 3 -11.660 0.611 1.909 19 HD1 HIS 3 1HD HIS 3 -14.475 0.735 4.592 20 HD2 HIS 3 2HD HIS 3 -13.573 -0.604 0.697 21 HE1 HIS 3 1HE HIS 3 -16.682 0.014 3.549 22 H ILE 4 H ILE 4 -9.304 -1.512 2.443 23 HA ILE 4 HA ILE 4 -7.339 0.320 3.706 24 HB ILE 4 HB ILE 4 -5.543 -1.035 2.815 25 HG12 ILE 4 1HG1 ILE 4 -7.782 -2.737 1.694 26 HG13 ILE 4 2HG1 ILE 4 -6.391 -2.046 0.875 27 HG21 ILE 4 1HG2 ILE 4 -6.555 -1.373 5.106 28 HG22 ILE 4 2HG2 ILE 4 -7.380 -2.799 4.424 29 HG23 ILE 4 3HG2 ILE 4 -5.615 -2.703 4.473 30 HD11 ILE 4 3HD1 ILE 4 -6.036 -4.412 1.136 31 HD12 ILE 4 1HD1 ILE 4 -4.899 -3.543 2.194 32 HD13 ILE 4 2HD1 ILE 4 -6.343 -4.316 2.884 33 H PHE 5 H PHE 5 -5.617 0.815 1.898 34 HA PHE 5 HA PHE 5 -6.838 1.281 -0.740 35 HB2 PHE 5 1HB PHE 5 -6.971 3.411 0.322 36 HB3 PHE 5 2HB PHE 5 -5.324 3.317 0.901 37 HD1 PHE 5 2HD PHE 5 -7.358 3.199 -2.231 38 HD2 PHE 5 1HD PHE 5 -3.570 4.304 -0.472 39 HE1 PHE 5 2HE PHE 5 -6.685 4.264 -4.338 40 HE2 PHE 5 1HE PHE 5 -2.902 5.363 -2.615 41 HZ PHE 5 HZ PHE 5 -4.455 5.418 -4.499 42 H VAL 6 H VAL 6 -5.400 0.685 -2.353 43 HA VAL 6 HA VAL 6 -2.887 -0.543 -1.420 44 HB VAL 6 HB VAL 6 -4.531 -2.017 -2.373 45 HG11 VAL 6 1HG1 VAL 6 -5.520 -0.800 -4.201 46 HG12 VAL 6 2HG1 VAL 6 -3.964 -0.734 -5.053 47 HG13 VAL 6 3HG1 VAL 6 -4.736 -2.293 -4.744 48 HG21 VAL 6 3HG2 VAL 6 -2.987 -3.326 -3.551 49 HG22 VAL 6 1HG2 VAL 6 -1.980 -1.919 -4.004 50 HG23 VAL 6 2HG2 VAL 6 -2.075 -2.460 -2.306 51 H TYR 7 H TYR 7 -1.049 0.608 -1.789 52 HA TYR 7 HA TYR 7 -0.936 2.739 -3.746 53 HB2 TYR 7 1HB TYR 7 1.503 2.734 -3.101 54 HB3 TYR 7 2HB TYR 7 0.354 3.047 -1.815 55 HD1 TYR 7 2HD TYR 7 2.810 0.643 -3.135 56 HD2 TYR 7 1HD TYR 7 0.126 1.537 0.123 57 HE1 TYR 7 2HE TYR 7 3.868 -1.124 -1.801 58 HE2 TYR 7 1HE TYR 7 1.238 -0.199 1.498 59 HH TYR 7 HH TYR 7 4.105 -2.005 0.316 60 H GLY 8 H GLY 8 0.896 -0.358 -3.540 61 HA2 GLY 8 2HA GLY 8 1.063 -0.447 -6.549 62 HA3 GLY 8 1HA GLY 8 2.463 -0.416 -5.506 63 H THR 9 H THR 9 0.995 -2.296 -3.481 64 HA THR 9 HA THR 9 2.452 -4.452 -4.499 65 HB THR 9 HB THR 9 1.477 -5.238 -2.076 66 HG1 THR 9 1HG THR 9 1.215 -3.428 -0.816 67 HG21 THR 9 3HG2 THR 9 3.572 -4.258 -1.169 68 HG22 THR 9 1HG2 THR 9 3.746 -3.287 -2.647 69 HG23 THR 9 2HG2 THR 9 3.850 -5.050 -2.728 70 H LEU 10 H LEU 10 -1.015 -3.964 -4.202 71 HA LEU 10 HA LEU 10 -1.449 -6.756 -5.149 72 HB2 LEU 10 1HB LEU 10 -3.290 -5.548 -3.081 73 HB3 LEU 10 2HB LEU 10 -3.139 -7.190 -3.595 74 HG LEU 10 HG LEU 10 -0.602 -6.674 -2.478 75 HD11 LEU 10 1HD1 LEU 10 -1.370 -4.502 -1.628 76 HD12 LEU 10 2HD1 LEU 10 -1.135 -5.620 -0.281 77 HD13 LEU 10 3HD1 LEU 10 -2.784 -5.280 -0.869 78 HD21 LEU 10 3HD2 LEU 10 -1.116 -8.061 -0.681 79 HD22 LEU 10 1HD2 LEU 10 -2.015 -8.704 -2.052 80 HD23 LEU 10 2HD2 LEU 10 -2.846 -7.763 -0.793 81 H LYS 11 H LYS 11 -1.299 -5.128 -7.048 82 HA LYS 11 HA LYS 11 -3.931 -4.409 -7.985 83 HB2 LYS 11 1HB LYS 11 -3.397 -2.521 -6.415 84 HB3 LYS 11 2HB LYS 11 -2.049 -2.051 -7.403 85 HG2 LYS 11 1HG LYS 11 -4.942 -2.191 -8.397 86 HG3 LYS 11 2HG LYS 11 -4.203 -0.760 -7.677 87 HD2 LYS 11 1HD LYS 11 -2.394 -0.954 -9.507 88 HD3 LYS 11 2HD LYS 11 -3.517 -2.047 -10.336 89 HE2 LYS 11 1HE LYS 11 -5.178 -0.358 -10.544 90 HE3 LYS 11 2HE LYS 11 -4.368 0.708 -9.374 91 HZ1 LYS 11 3HZ LYS 11 -3.143 -0.035 -11.947 92 HZ2 LYS 11 1HZ LYS 11 -2.674 1.174 -10.924 93 HZ3 LYS 11 2HZ LYS 11 -4.059 1.321 -11.748 94 H ARG 12 H ARG 12 -0.528 -3.341 -8.369 95 HA ARG 12 HA ARG 12 -0.821 -3.035 -11.239 96 HB2 ARG 12 1HB ARG 12 1.695 -3.013 -9.492 97 HB3 ARG 12 2HB ARG 12 1.551 -2.384 -11.131 98 HG2 ARG 12 1HG ARG 12 -0.043 -1.241 -8.810 99 HG3 ARG 12 2HG ARG 12 1.601 -0.748 -9.146 100 HD2 ARG 12 1HD ARG 12 -0.665 -0.569 -11.161 101 HD3 ARG 12 2HD ARG 12 -0.131 0.746 -10.110 102 HE ARG 12 HE ARG 12 2.112 0.576 -11.154 103 HH11 ARG 12 1HH1 ARG 12 -0.677 -0.621 -13.097 104 HH12 ARG 12 2HH1 ARG 12 -0.163 0.243 -14.501 105 HH21 ARG 12 1HH2 ARG 12 2.789 1.534 -13.190 106 HH22 ARG 12 2HH2 ARG 12 2.048 1.000 -14.650 107 H GLY 13 H GLY 13 1.980 -4.753 -9.985 108 HA2 GLY 13 2HA GLY 13 1.114 -7.368 -11.001 109 HA3 GLY 13 1HA GLY 13 2.384 -6.480 -11.866 110 H GLN 14 H GLN 14 2.060 -5.932 -8.453 111 HA GLN 14 HA GLN 14 4.714 -6.908 -7.823 112 HB2 GLN 14 1HB GLN 14 2.536 -5.411 -6.498 113 HB3 GLN 14 2HB GLN 14 3.326 -6.570 -5.426 114 HG2 GLN 14 1HG GLN 14 4.366 -4.287 -5.343 115 HG3 GLN 14 2HG GLN 14 5.451 -5.608 -5.704 116 HE21 GLN 14 1HE2 GLN 14 3.270 -3.283 -7.505 117 HE22 GLN 14 2HE2 GLN 14 4.516 -2.967 -8.739 118 HA PRO 15 HA PRO 15 3.813 -11.053 -7.407 119 HB2 PRO 15 1HB PRO 15 5.441 -11.816 -5.218 120 HB3 PRO 15 2HB PRO 15 6.023 -11.478 -6.881 121 HG2 PRO 15 1HG PRO 15 5.976 -9.743 -4.445 122 HG3 PRO 15 2HG PRO 15 7.268 -9.899 -5.685 123 HD2 PRO 15 1HD PRO 15 5.499 -7.837 -5.591 124 HD3 PRO 15 2HD PRO 15 6.153 -8.444 -7.131 125 H ASN 16 H ASN 16 3.120 -9.095 -4.686 126 HA ASN 16 HA ASN 16 2.350 -11.194 -2.929 127 HB2 ASN 16 1HB ASN 16 1.875 -8.197 -2.661 128 HB3 ASN 16 2HB ASN 16 1.924 -9.391 -1.339 129 HD21 ASN 16 1HD2 ASN 16 3.617 -7.156 -3.031 130 HD22 ASN 16 2HD2 ASN 16 5.239 -7.599 -2.666 131 H HIS 17 H HIS 17 0.533 -9.495 -5.327 132 HA HIS 17 HA HIS 17 -1.907 -9.016 -4.164 133 HB2 HIS 17 1HB HIS 17 -1.070 -8.600 -6.568 134 HB3 HIS 17 2HB HIS 17 -1.601 -10.224 -6.932 135 HD1 HIS 17 1HD HIS 17 -2.740 -7.469 -8.258 136 HD2 HIS 17 2HD HIS 17 -4.608 -10.029 -5.485 137 HE1 HIS 17 1HE HIS 17 -5.237 -7.034 -8.400 138 H LYS 18 H LYS 18 -0.660 -12.170 -5.142 139 HA LYS 18 HA LYS 18 -2.969 -13.665 -5.034 140 HB2 LYS 18 1HB LYS 18 -1.599 -15.584 -4.827 141 HB3 LYS 18 2HB LYS 18 -0.747 -14.420 -5.803 142 HG2 LYS 18 1HG LYS 18 0.903 -15.365 -4.491 143 HG3 LYS 18 2HG LYS 18 0.604 -13.834 -3.666 144 HD2 LYS 18 1HD LYS 18 -0.515 -14.924 -1.867 145 HD3 LYS 18 2HD LYS 18 -0.861 -16.354 -2.805 146 HE2 LYS 18 1HE LYS 18 2.034 -15.919 -2.590 147 HE3 LYS 18 2HE LYS 18 1.268 -15.910 -1.004 148 HZ1 LYS 18 3HZ LYS 18 1.819 -18.133 -1.500 149 HZ2 LYS 18 1HZ LYS 18 1.172 -18.077 -2.996 150 HZ3 LYS 18 2HZ LYS 18 0.183 -18.035 -1.666 151 H VAL 19 H VAL 19 -1.424 -12.294 -2.128 152 HA VAL 19 HA VAL 19 -2.718 -14.152 -0.379 153 HB VAL 19 HB VAL 19 -2.486 -12.337 1.354 154 HG11 VAL 19 1HG1 VAL 19 -0.030 -12.639 1.518 155 HG12 VAL 19 2HG1 VAL 19 -0.870 -14.148 1.126 156 HG13 VAL 19 3HG1 VAL 19 -0.016 -13.254 -0.151 157 HG21 VAL 19 3HG2 VAL 19 -0.482 -10.833 -0.213 158 HG22 VAL 19 1HG2 VAL 19 -2.179 -10.501 -0.630 159 HG23 VAL 19 2HG2 VAL 19 -1.597 -10.308 1.029 160 H MET 20 H MET 20 -4.074 -11.449 -2.216 161 HA MET 20 HA MET 20 -6.375 -11.290 -0.419 162 HB2 MET 20 1HB MET 20 -6.637 -10.085 -3.104 163 HB3 MET 20 2HB MET 20 -7.001 -9.475 -1.522 164 HG2 MET 20 1HG MET 20 -4.203 -9.427 -1.621 165 HG3 MET 20 2HG MET 20 -4.720 -8.948 -3.213 166 HE1 MET 20 3HE MET 20 -7.370 -7.523 -3.002 167 HE2 MET 20 1HE MET 20 -6.876 -5.836 -2.742 168 HE3 MET 20 2HE MET 20 -5.952 -6.853 -3.865 169 H LEU 21 H LEU 21 -5.415 -13.405 -2.801 170 HA LEU 21 HA LEU 21 -8.072 -13.786 -4.064 171 HB2 LEU 21 1HB LEU 21 -5.442 -15.195 -4.664 172 HB3 LEU 21 2HB LEU 21 -6.864 -15.090 -5.686 173 HG LEU 21 HG LEU 21 -4.917 -12.862 -4.993 174 HD11 LEU 21 1HD1 LEU 21 -5.624 -14.123 -7.664 175 HD12 LEU 21 2HD1 LEU 21 -4.192 -14.517 -6.687 176 HD13 LEU 21 3HD1 LEU 21 -4.387 -12.881 -7.342 177 HD21 LEU 21 3HD2 LEU 21 -7.555 -12.658 -6.428 178 HD22 LEU 21 1HD2 LEU 21 -6.221 -11.470 -6.630 179 HD23 LEU 21 2HD2 LEU 21 -6.980 -11.710 -5.055 180 H ASP 22 H ASP 22 -5.577 -15.306 -2.076 181 HA ASP 22 HA ASP 22 -6.985 -17.809 -1.687 182 HB2 ASP 22 1HB ASP 22 -4.677 -16.621 -0.120 183 HB3 ASP 22 2HB ASP 22 -5.200 -18.301 -0.107 184 H HIS 23 H HIS 23 -9.024 -16.809 -1.095 185 HA HIS 23 HA HIS 23 -9.738 -15.150 0.884 186 HB2 HIS 23 1HB HIS 23 -11.265 -16.299 -0.647 187 HB3 HIS 23 2HB HIS 23 -11.118 -17.798 0.287 188 HD1 HIS 23 1HD HIS 23 -12.586 -17.855 2.616 189 HD2 HIS 23 2HD HIS 23 -12.251 -14.161 0.667 190 HE1 HIS 23 1HE HIS 23 -14.001 -16.249 3.936 191 H SER 24 H SER 24 -8.525 -18.259 1.420 192 HA SER 24 HA SER 24 -9.172 -18.819 4.147 193 HB2 SER 24 1HB SER 24 -7.834 -20.191 2.267 194 HB3 SER 24 2HB SER 24 -6.436 -19.533 3.113 195 HG SER 24 HG SER 24 -8.604 -20.908 4.370 196 H HIS 25 H HIS 25 -6.691 -16.639 2.743 197 HA HIS 25 HA HIS 25 -5.440 -15.944 5.266 198 HB2 HIS 25 1HB HIS 25 -5.519 -14.596 2.532 199 HB3 HIS 25 2HB HIS 25 -4.531 -14.096 3.871 200 HD1 HIS 25 1HD HIS 25 -3.458 -15.160 1.030 201 HD2 HIS 25 2HD HIS 25 -3.697 -17.326 4.594 202 HE1 HIS 25 1HE HIS 25 -1.662 -17.010 0.875 203 H GLY 26 H GLY 26 -8.006 -14.538 3.096 204 HA2 GLY 26 2HA GLY 26 -9.753 -13.782 5.011 205 HA3 GLY 26 1HA GLY 26 -8.641 -12.403 4.921 206 H LEU 27 H LEU 27 -11.033 -11.654 4.237 207 HA LEU 27 HA LEU 27 -11.691 -12.291 1.464 208 HB2 LEU 27 1HB LEU 27 -13.417 -12.045 3.229 209 HB3 LEU 27 2HB LEU 27 -12.843 -10.392 3.490 210 HG LEU 27 HG LEU 27 -13.590 -9.688 1.273 211 HD11 LEU 27 1HD1 LEU 27 -13.340 -11.834 0.047 212 HD12 LEU 27 2HD1 LEU 27 -14.953 -11.147 -0.127 213 HD13 LEU 27 3HD1 LEU 27 -14.683 -12.518 0.979 214 HD21 LEU 27 3HD2 LEU 27 -15.141 -9.449 3.086 215 HD22 LEU 27 1HD2 LEU 27 -15.637 -11.160 2.943 216 HD23 LEU 27 2HD2 LEU 27 -16.023 -9.985 1.654 217 H ALA 28 H ALA 28 -11.379 -11.024 -0.265 218 HA ALA 28 HA ALA 28 -11.153 -8.121 0.046 219 HB1 ALA 28 1HB ALA 28 -9.328 -7.933 -1.503 220 HB2 ALA 28 2HB ALA 28 -8.852 -8.917 -0.096 221 HB3 ALA 28 3HB ALA 28 -9.234 -9.707 -1.660 222 H ALA 29 H ALA 29 -11.854 -7.130 -1.791 223 HA ALA 29 HA ALA 29 -12.824 -8.211 -4.289 224 HB1 ALA 29 1HB ALA 29 -14.715 -8.853 -2.765 225 HB2 ALA 29 2HB ALA 29 -14.782 -7.164 -2.196 226 HB3 ALA 29 3HB ALA 29 -15.191 -7.559 -3.883 227 H PHE 30 H PHE 30 -13.307 -6.418 -5.715 228 HA PHE 30 HA PHE 30 -11.925 -3.924 -5.149 229 HB2 PHE 30 1HB PHE 30 -11.724 -4.935 -7.313 230 HB3 PHE 30 2HB PHE 30 -13.470 -5.088 -7.488 231 HD1 PHE 30 2HD PHE 30 -10.636 -2.660 -7.493 232 HD2 PHE 30 1HD PHE 30 -14.804 -3.326 -8.413 233 HE1 PHE 30 2HE PHE 30 -10.656 -0.640 -8.912 234 HE2 PHE 30 1HE PHE 30 -14.813 -1.282 -9.821 235 HZ PHE 30 HZ PHE 30 -12.750 0.030 -10.115 236 H ARG 31 H ARG 31 -12.883 -2.403 -3.886 237 HA ARG 31 HA ARG 31 -15.782 -1.893 -4.312 238 HB2 ARG 31 1HB ARG 31 -15.163 -2.733 -2.020 239 HB3 ARG 31 2HB ARG 31 -14.153 -1.309 -1.805 240 HG2 ARG 31 1HG ARG 31 -16.317 -1.036 -0.665 241 HG3 ARG 31 2HG ARG 31 -16.129 0.148 -1.946 242 HD2 ARG 31 1HD ARG 31 -18.376 -0.640 -2.015 243 HD3 ARG 31 2HD ARG 31 -17.499 -1.279 -3.418 244 HE ARG 31 HE ARG 31 -17.613 -3.106 -1.155 245 HH11 ARG 31 1HH1 ARG 31 -19.545 -1.944 -3.838 246 HH12 ARG 31 2HH1 ARG 31 -20.240 -3.471 -4.276 247 HH21 ARG 31 1HH2 ARG 31 -18.461 -5.145 -1.627 248 HH22 ARG 31 2HH2 ARG 31 -19.624 -5.401 -2.869 249 H GLY 32 H GLY 32 -14.731 -0.889 -6.251 250 HA2 GLY 32 2HA GLY 32 -14.577 1.149 -7.335 251 HA3 GLY 32 1HA GLY 32 -14.676 1.955 -5.767 252 H ARG 33 H ARG 33 -13.148 3.357 -6.800 253 HA ARG 33 HA ARG 33 -10.311 2.362 -6.891 254 HB2 ARG 33 1HB ARG 33 -11.706 4.344 -8.734 255 HB3 ARG 33 2HB ARG 33 -9.990 4.057 -8.697 256 HG2 ARG 33 1HG ARG 33 -10.410 1.654 -9.318 257 HG3 ARG 33 2HG ARG 33 -12.114 2.095 -9.576 258 HD2 ARG 33 1HD ARG 33 -9.748 3.500 -10.868 259 HD3 ARG 33 2HD ARG 33 -10.659 2.192 -11.659 260 HE ARG 33 HE ARG 33 -12.610 3.954 -10.972 261 HH11 ARG 33 1HH1 ARG 33 -9.625 4.760 -12.645 262 HH12 ARG 33 2HH1 ARG 33 -10.444 5.437 -14.035 263 HH21 ARG 33 1HH2 ARG 33 -13.661 4.617 -12.758 264 HH22 ARG 33 2HH2 ARG 33 -12.894 5.662 -13.923 265 H GLY 34 H GLY 34 -8.675 4.293 -6.679 266 HA2 GLY 34 2HA GLY 34 -9.642 6.774 -5.826 267 HA3 GLY 34 1HA GLY 34 -9.190 5.838 -4.385 268 H CYS 35 H CYS 35 -7.901 8.032 -4.644 269 HA CYS 35 HA CYS 35 -5.112 7.287 -5.281 270 HB2 CYS 35 1HB CYS 35 -4.856 9.349 -6.609 271 HB3 CYS 35 2HB CYS 35 -6.024 8.330 -7.335 272 HG CYS 35 HG CYS 35 -6.504 10.871 -5.291 273 H THR 36 H THR 36 -3.602 8.865 -3.981 274 HA THR 36 HA THR 36 -5.052 9.792 -1.543 275 HB THR 36 HB THR 36 -2.929 10.169 -0.548 276 HG1 THR 36 1HG THR 36 -1.534 10.575 -1.995 277 HG21 THR 36 3HG2 THR 36 -3.908 8.008 -0.150 278 HG22 THR 36 1HG2 THR 36 -2.160 7.852 -0.239 279 HG23 THR 36 2HG2 THR 36 -3.151 7.354 -1.626 280 H VAL 37 H VAL 37 -5.927 11.791 -1.846 281 HA VAL 37 HA VAL 37 -4.699 13.738 -3.643 282 HB VAL 37 HB VAL 37 -6.456 15.253 -2.473 283 HG11 VAL 37 1HG1 VAL 37 -8.105 14.410 -4.164 284 HG12 VAL 37 2HG1 VAL 37 -6.477 14.602 -4.803 285 HG13 VAL 37 3HG1 VAL 37 -7.067 12.982 -4.409 286 HG21 VAL 37 3HG2 VAL 37 -7.661 12.522 -1.830 287 HG22 VAL 37 1HG2 VAL 37 -7.072 13.707 -0.635 288 HG23 VAL 37 2HG2 VAL 37 -8.441 14.088 -1.679 289 H GLU 38 H GLU 38 -4.674 12.949 -0.231 290 HA GLU 38 HA GLU 38 -2.803 15.051 0.535 291 HB2 GLU 38 1HB GLU 38 -3.807 12.477 1.716 292 HB3 GLU 38 2HB GLU 38 -2.143 12.956 2.132 293 HG2 GLU 38 1HG GLU 38 -2.768 14.990 3.073 294 HG3 GLU 38 2HG GLU 38 -4.342 14.989 2.309 295 H SER 39 H SER 39 -0.981 15.270 -0.594 296 HA SER 39 HA SER 39 0.180 13.085 -2.111 297 HB2 SER 39 1HB SER 39 1.450 15.646 -1.096 298 HB3 SER 39 2HB SER 39 2.108 14.611 -2.356 299 HG SER 39 HG SER 39 -0.491 15.274 -2.855 300 H PHE 40 H PHE 40 1.939 11.755 -1.456 301 HA PHE 40 HA PHE 40 2.748 11.838 1.408 302 HB2 PHE 40 1HB PHE 40 1.293 9.597 -0.068 303 HB3 PHE 40 2HB PHE 40 2.301 9.306 1.323 304 HD1 PHE 40 2HD PHE 40 1.800 10.861 3.482 305 HD2 PHE 40 1HD PHE 40 -0.938 9.747 0.390 306 HE1 PHE 40 2HE PHE 40 -0.133 11.164 5.070 307 HE2 PHE 40 1HE PHE 40 -2.860 9.982 1.976 308 HZ PHE 40 HZ PHE 40 -2.454 10.664 4.274 309 HA PRO 41 HA PRO 41 6.615 10.682 -0.421 310 HB2 PRO 41 1HB PRO 41 7.926 9.737 1.835 311 HB3 PRO 41 2HB PRO 41 7.364 11.445 1.638 312 HG2 PRO 41 1HG PRO 41 5.970 9.114 2.974 313 HG3 PRO 41 2HG PRO 41 6.330 10.735 3.692 314 HD2 PRO 41 1HD PRO 41 3.941 10.136 2.639 315 HD3 PRO 41 2HD PRO 41 4.693 11.736 2.382 316 H LEU 42 H LEU 42 6.546 8.935 -1.977 317 HA LEU 42 HA LEU 42 6.653 6.164 -0.866 318 HB2 LEU 42 1HB LEU 42 4.987 7.204 -2.648 319 HB3 LEU 42 2HB LEU 42 6.270 6.769 -3.776 320 HG LEU 42 HG LEU 42 4.150 5.235 -2.396 321 HD11 LEU 42 1HD1 LEU 42 4.256 3.837 -4.438 322 HD12 LEU 42 2HD1 LEU 42 5.710 4.708 -4.962 323 HD13 LEU 42 3HD1 LEU 42 4.162 5.558 -4.828 324 HD21 LEU 42 3HD2 LEU 42 5.895 4.109 -1.230 325 HD22 LEU 42 1HD2 LEU 42 6.820 3.862 -2.748 326 HD23 LEU 42 2HD2 LEU 42 5.251 3.069 -2.469 327 H VAL 43 H VAL 43 8.759 5.645 -0.464 328 HA VAL 43 HA VAL 43 10.897 6.330 -2.414 329 HB VAL 43 HB VAL 43 12.396 6.610 -0.440 330 HG11 VAL 43 1HG1 VAL 43 10.024 8.511 -0.470 331 HG12 VAL 43 2HG1 VAL 43 11.689 8.869 0.073 332 HG13 VAL 43 3HG1 VAL 43 11.379 8.500 -1.621 333 HG21 VAL 43 3HG2 VAL 43 11.296 5.430 1.391 334 HG22 VAL 43 1HG2 VAL 43 11.336 7.127 1.810 335 HG23 VAL 43 2HG2 VAL 43 9.837 6.411 1.210 336 H ILE 44 H ILE 44 12.193 4.665 -3.058 337 HA ILE 44 HA ILE 44 11.499 2.016 -1.950 338 HB ILE 44 HB ILE 44 12.973 2.697 -4.501 339 HG12 ILE 44 1HG1 ILE 44 10.161 1.609 -4.504 340 HG13 ILE 44 2HG1 ILE 44 10.319 3.314 -4.138 341 HG21 ILE 44 1HG2 ILE 44 13.545 0.468 -3.840 342 HG22 ILE 44 2HG2 ILE 44 11.908 0.125 -3.243 343 HG23 ILE 44 3HG2 ILE 44 12.208 0.238 -4.978 344 HD11 ILE 44 3HD1 ILE 44 9.970 3.110 -6.473 345 HD12 ILE 44 1HD1 ILE 44 11.660 3.599 -6.225 346 HD13 ILE 44 2HD1 ILE 44 11.273 1.916 -6.620 347 H ALA 45 H ALA 45 12.610 1.773 -0.154 348 HA ALA 45 HA ALA 45 15.565 2.090 -0.096 349 HB1 ALA 45 1HB ALA 45 14.260 3.248 1.692 350 HB2 ALA 45 2HB ALA 45 13.607 1.661 2.184 351 HB3 ALA 45 3HB ALA 45 15.342 1.980 2.290 352 H GLY 46 H GLY 46 16.451 0.278 1.389 353 HA2 GLY 46 2HA GLY 46 16.471 -1.796 2.341 354 HA3 GLY 46 1HA GLY 46 14.914 -2.153 1.591 355 H GLU 47 H GLU 47 17.494 -3.757 1.691 356 HA GLU 47 HA GLU 47 18.664 -3.694 -0.907 357 HB2 GLU 47 1HB GLU 47 19.652 -4.395 1.354 358 HB3 GLU 47 2HB GLU 47 18.828 -5.945 1.133 359 HG2 GLU 47 1HG GLU 47 20.309 -6.647 -0.490 360 HG3 GLU 47 2HG GLU 47 20.506 -5.030 -1.174 361 H HIS 48 H HIS 48 15.760 -5.119 0.065 362 HA HIS 48 HA HIS 48 15.792 -6.893 -2.320 363 HB2 HIS 48 1HB HIS 48 14.379 -7.093 0.341 364 HB3 HIS 48 2HB HIS 48 13.621 -7.815 -1.039 365 HD1 HIS 48 1HD HIS 48 15.049 -9.878 -2.335 366 HD2 HIS 48 2HD HIS 48 16.379 -8.383 1.352 367 HE1 HIS 48 1HE HIS 48 16.784 -11.531 -1.500 368 H ASN 49 H ASN 49 15.252 -3.843 -1.834 369 HA ASN 49 HA ASN 49 14.023 -2.210 -2.663 370 HB2 ASN 49 1HB ASN 49 12.864 -4.137 -4.680 371 HB3 ASN 49 2HB ASN 49 13.055 -2.400 -4.850 372 HD21 ASN 49 1HD2 ASN 49 15.480 -1.588 -5.036 373 HD22 ASN 49 2HD2 ASN 49 16.599 -2.758 -5.666 374 H ILE 50 H ILE 50 12.968 -2.374 -0.547 375 HA ILE 50 HA ILE 50 10.153 -3.216 -0.704 376 HB ILE 50 HB ILE 50 11.944 -3.025 1.718 377 HG12 ILE 50 1HG1 ILE 50 10.737 -5.409 0.236 378 HG13 ILE 50 2HG1 ILE 50 12.437 -4.967 0.211 379 HG21 ILE 50 1HG2 ILE 50 9.476 -2.487 2.123 380 HG22 ILE 50 2HG2 ILE 50 9.089 -4.085 1.426 381 HG23 ILE 50 3HG2 ILE 50 10.016 -3.955 2.929 382 HD11 ILE 50 3HD1 ILE 50 12.307 -6.696 1.783 383 HD12 ILE 50 1HD1 ILE 50 12.410 -5.206 2.750 384 HD13 ILE 50 2HD1 ILE 50 10.852 -6.038 2.554 385 HA PRO 51 HA PRO 51 9.925 1.346 -0.702 386 HB2 PRO 51 1HB PRO 51 7.429 1.454 -1.915 387 HB3 PRO 51 2HB PRO 51 8.988 1.513 -2.751 388 HG2 PRO 51 1HG PRO 51 7.170 -0.852 -2.299 389 HG3 PRO 51 2HG PRO 51 8.039 -0.398 -3.797 390 HD2 PRO 51 1HD PRO 51 8.949 -2.319 -2.118 391 HD3 PRO 51 2HD PRO 51 10.078 -1.234 -2.967 392 H TRP 52 H TRP 52 9.228 2.313 0.990 393 HA TRP 52 HA TRP 52 7.116 1.247 2.789 394 HB2 TRP 52 1HB TRP 52 9.359 3.255 3.378 395 HB3 TRP 52 2HB TRP 52 8.228 2.556 4.526 396 HD1 TRP 52 HD TRP 52 11.412 1.737 2.610 397 HE1 TRP 52 1HE TRP 52 12.336 -0.546 3.375 398 HE3 TRP 52 3HE TRP 52 7.508 0.240 5.515 399 HZ2 TRP 52 2HZ TRP 52 11.475 -2.707 5.052 400 HZ3 TRP 52 3HZ TRP 52 7.482 -1.935 6.526 401 HH2 TRP 52 HH TRP 52 9.490 -3.501 6.297 402 H LEU 53 H LEU 53 5.209 2.602 2.824 403 HA LEU 53 HA LEU 53 5.549 5.344 1.733 404 HB2 LEU 53 1HB LEU 53 3.676 3.960 0.858 405 HB3 LEU 53 2HB LEU 53 2.981 3.893 2.474 406 HG LEU 53 HG LEU 53 2.273 5.615 0.727 407 HD11 LEU 53 1HD1 LEU 53 1.616 7.375 2.385 408 HD12 LEU 53 2HD1 LEU 53 2.509 6.424 3.604 409 HD13 LEU 53 3HD1 LEU 53 1.106 5.720 2.716 410 HD21 LEU 53 3HD2 LEU 53 4.231 7.548 1.676 411 HD22 LEU 53 1HD2 LEU 53 3.081 7.581 0.281 412 HD23 LEU 53 2HD2 LEU 53 4.463 6.502 0.199 413 H LEU 54 H LEU 54 5.954 6.886 3.218 414 HA LEU 54 HA LEU 54 5.531 6.242 6.028 415 HB2 LEU 54 1HB LEU 54 6.698 8.773 4.876 416 HB3 LEU 54 2HB LEU 54 6.927 8.078 6.418 417 HG LEU 54 HG LEU 54 8.750 7.588 5.506 418 HD11 LEU 54 1HD1 LEU 54 9.258 5.330 5.127 419 HD12 LEU 54 2HD1 LEU 54 7.651 5.031 4.456 420 HD13 LEU 54 3HD1 LEU 54 7.827 5.426 6.177 421 HD21 LEU 54 3HD2 LEU 54 7.930 7.161 2.763 422 HD22 LEU 54 1HD2 LEU 54 9.556 7.000 3.393 423 HD23 LEU 54 2HD2 LEU 54 8.764 8.579 3.512 424 H TYR 55 H TYR 55 4.370 7.599 7.440 425 HA TYR 55 HA TYR 55 2.002 8.808 6.174 426 HB2 TYR 55 1HB TYR 55 1.909 7.405 8.235 427 HB3 TYR 55 2HB TYR 55 2.695 8.684 9.124 428 HD1 TYR 55 2HD TYR 55 1.531 11.015 9.151 429 HD2 TYR 55 1HD TYR 55 -0.364 7.418 7.781 430 HE1 TYR 55 2HE TYR 55 -0.687 12.163 9.302 431 HE2 TYR 55 1HE TYR 55 -2.615 8.485 8.145 432 HH TYR 55 HH TYR 55 -3.155 11.759 8.220 433 H LEU 56 H LEU 56 2.907 10.569 4.975 434 HA LEU 56 HA LEU 56 3.345 12.870 6.748 435 HB2 LEU 56 1HB LEU 56 5.584 11.865 5.584 436 HB3 LEU 56 2HB LEU 56 5.161 13.050 4.403 437 HG LEU 56 HG LEU 56 4.824 14.176 7.114 438 HD11 LEU 56 1HD1 LEU 56 6.471 12.507 7.742 439 HD12 LEU 56 2HD1 LEU 56 7.116 14.147 7.857 440 HD13 LEU 56 3HD1 LEU 56 7.587 13.105 6.485 441 HD21 LEU 56 3HD2 LEU 56 6.712 14.939 4.869 442 HD22 LEU 56 1HD2 LEU 56 6.285 15.924 6.288 443 HD23 LEU 56 2HD2 LEU 56 5.040 15.537 5.108 444 HA PRO 57 HA PRO 57 0.104 13.558 3.595 445 HB2 PRO 57 1HB PRO 57 -1.445 15.226 5.112 446 HB3 PRO 57 2HB PRO 57 -1.512 13.439 5.175 447 HG2 PRO 57 1HG PRO 57 -0.030 15.301 7.028 448 HG3 PRO 57 2HG PRO 57 -1.072 13.907 7.461 449 HD2 PRO 57 1HD PRO 57 1.643 13.748 7.363 450 HD3 PRO 57 2HD PRO 57 0.622 12.376 6.838 451 H GLY 58 H GLY 58 0.357 14.964 2.094 452 HA2 GLY 58 2HA GLY 58 0.301 17.061 1.117 453 HA3 GLY 58 1HA GLY 58 0.845 17.823 2.611 454 H LYS 59 H LYS 59 3.031 15.162 2.089 455 HA LYS 59 HA LYS 59 4.806 16.843 0.384 456 HB2 LYS 59 1HB LYS 59 5.393 16.983 2.833 457 HB3 LYS 59 2HB LYS 59 5.379 15.217 2.887 458 HG2 LYS 59 1HG LYS 59 7.611 15.439 2.641 459 HG3 LYS 59 2HG LYS 59 7.190 15.475 0.946 460 HD2 LYS 59 1HD LYS 59 8.591 17.274 1.051 461 HD3 LYS 59 2HD LYS 59 7.053 18.114 1.343 462 HE2 LYS 59 1HE LYS 59 7.459 17.980 3.796 463 HE3 LYS 59 2HE LYS 59 8.937 17.044 3.505 464 HZ1 LYS 59 3HZ LYS 59 8.482 19.846 2.735 465 HZ2 LYS 59 1HZ LYS 59 9.794 18.993 2.296 466 HZ3 LYS 59 2HZ LYS 59 9.503 19.293 3.910 467 H GLY 60 H GLY 60 5.741 15.580 -1.302 468 HA2 GLY 60 2HA GLY 60 6.734 13.402 -1.841 469 HA3 GLY 60 1HA GLY 60 5.295 12.635 -1.196 470 H HIS 61 H HIS 61 3.712 12.177 -2.693 471 HA HIS 61 HA HIS 61 2.858 14.157 -4.676 472 HB2 HIS 61 1HB HIS 61 2.836 12.135 -6.342 473 HB3 HIS 61 2HB HIS 61 4.273 13.049 -6.311 474 HD1 HIS 61 1HD HIS 61 2.767 9.872 -4.688 475 HD2 HIS 61 2HD HIS 61 6.446 11.716 -5.611 476 HE1 HIS 61 1HE HIS 61 4.556 8.153 -4.300 477 H CYS 62 H CYS 62 1.050 13.114 -5.890 478 HA CYS 62 HA CYS 62 -0.786 11.693 -4.106 479 HB2 CYS 62 1HB CYS 62 -1.162 12.531 -7.002 480 HB3 CYS 62 2HB CYS 62 -2.425 12.079 -5.896 481 HG CYS 62 HG CYS 62 -0.626 14.793 -6.111 482 H VAL 63 H VAL 63 -0.455 9.591 -3.733 483 HA VAL 63 HA VAL 63 0.717 7.888 -5.765 484 HB VAL 63 HB VAL 63 -0.249 7.260 -2.918 485 HG11 VAL 63 1HG1 VAL 63 -0.150 5.224 -4.318 486 HG12 VAL 63 2HG1 VAL 63 1.489 5.657 -4.855 487 HG13 VAL 63 3HG1 VAL 63 1.188 5.237 -3.152 488 HG21 VAL 63 3HG2 VAL 63 2.093 7.266 -2.271 489 HG22 VAL 63 1HG2 VAL 63 2.558 7.709 -3.913 490 HG23 VAL 63 2HG2 VAL 63 1.652 8.849 -2.893 491 H THR 64 H THR 64 -0.574 7.192 -7.367 492 HA THR 64 HA THR 64 -3.422 6.980 -7.158 493 HB THR 64 HB THR 64 -3.193 5.898 -9.396 494 HG1 THR 64 1HG THR 64 -0.820 6.266 -10.164 495 HG21 THR 64 3HG2 THR 64 -1.468 8.368 -9.127 496 HG22 THR 64 1HG2 THR 64 -3.253 8.346 -9.149 497 HG23 THR 64 2HG2 THR 64 -2.336 7.807 -10.564 498 H GLY 65 H GLY 65 -4.805 5.003 -7.133 499 HA2 GLY 65 2HA GLY 65 -3.601 2.393 -6.791 500 HA3 GLY 65 1HA GLY 65 -4.096 3.124 -5.270 501 H GLU 66 H GLU 66 -5.664 1.410 -5.010 502 HA GLU 66 HA GLU 66 -8.241 2.041 -6.168 503 HB2 GLU 66 1HB GLU 66 -7.018 -0.733 -6.486 504 HB3 GLU 66 2HB GLU 66 -8.754 -0.397 -6.626 505 HG2 GLU 66 1HG GLU 66 -8.250 1.227 -8.469 506 HG3 GLU 66 2HG GLU 66 -6.546 0.762 -8.364 507 H ILE 67 H ILE 67 -10.019 0.623 -4.897 508 HA ILE 67 HA ILE 67 -9.201 0.687 -2.029 509 HB ILE 67 HB ILE 67 -11.840 1.385 -3.308 510 HG12 ILE 67 1HG1 ILE 67 -9.819 3.228 -1.947 511 HG13 ILE 67 2HG1 ILE 67 -10.029 3.098 -3.694 512 HG21 ILE 67 1HG2 ILE 67 -12.450 2.060 -0.983 513 HG22 ILE 67 2HG2 ILE 67 -12.044 0.361 -1.042 514 HG23 ILE 67 3HG2 ILE 67 -10.857 1.527 -0.402 515 HD11 ILE 67 3HD1 ILE 67 -11.275 4.962 -3.112 516 HD12 ILE 67 1HD1 ILE 67 -12.488 3.702 -3.343 517 HD13 ILE 67 2HD1 ILE 67 -12.012 4.195 -1.697 518 H TYR 68 H TYR 68 -9.370 -1.298 -1.103 519 HA TYR 68 HA TYR 68 -11.231 -3.311 -2.260 520 HB2 TYR 68 1HB TYR 68 -8.510 -3.792 -0.956 521 HB3 TYR 68 2HB TYR 68 -9.586 -5.009 -1.445 522 HD1 TYR 68 1HD TYR 68 -10.308 -5.440 -3.686 523 HD2 TYR 68 2HD TYR 68 -6.945 -2.786 -2.969 524 HE1 TYR 68 1HE TYR 68 -9.782 -5.426 -6.093 525 HE2 TYR 68 2HE TYR 68 -6.649 -2.612 -5.357 526 HH TYR 68 HH TYR 68 -8.090 -3.075 -7.684 527 H GLU 69 H GLU 69 -13.030 -3.607 -1.008 528 HA GLU 69 HA GLU 69 -13.231 -2.820 1.795 529 HB2 GLU 69 1HB GLU 69 -15.166 -2.757 0.269 530 HB3 GLU 69 2HB GLU 69 -14.996 -4.476 -0.064 531 HG2 GLU 69 1HG GLU 69 -15.393 -4.832 2.489 532 HG3 GLU 69 2HG GLU 69 -15.855 -3.141 2.541 533 H VAL 70 H VAL 70 -11.322 -4.050 2.604 534 HA VAL 70 HA VAL 70 -11.476 -6.972 2.441 535 HB VAL 70 HB VAL 70 -9.480 -6.879 3.857 536 HG11 VAL 70 1HG1 VAL 70 -7.974 -5.976 2.180 537 HG12 VAL 70 2HG1 VAL 70 -9.323 -6.781 1.384 538 HG13 VAL 70 3HG1 VAL 70 -9.278 -5.014 1.461 539 HG21 VAL 70 3HG2 VAL 70 -9.591 -3.856 3.678 540 HG22 VAL 70 1HG2 VAL 70 -9.945 -4.811 5.137 541 HG23 VAL 70 2HG2 VAL 70 -8.333 -4.868 4.423 542 H ASP 71 H ASP 71 -11.635 -8.366 4.377 543 HA ASP 71 HA ASP 71 -13.545 -7.250 6.341 544 HB2 ASP 71 1HB ASP 71 -14.337 -9.311 6.768 545 HB3 ASP 71 2HB ASP 71 -14.044 -9.416 5.062 546 H GLU 72 H GLU 72 -13.249 -8.689 8.456 547 HA GLU 72 HA GLU 72 -10.964 -7.633 9.876 548 HB2 GLU 72 1HB GLU 72 -13.416 -9.138 10.447 549 HB3 GLU 72 2HB GLU 72 -12.071 -9.736 11.404 550 HG2 GLU 72 1HG GLU 72 -12.549 -6.759 11.198 551 HG3 GLU 72 2HG GLU 72 -13.609 -7.742 12.208 552 H GLN 73 H GLN 73 -11.718 -10.910 8.448 553 HA GLN 73 HA GLN 73 -9.442 -12.108 9.677 554 HB2 GLN 73 1HB GLN 73 -11.464 -13.287 8.616 555 HB3 GLN 73 2HB GLN 73 -10.673 -12.979 7.059 556 HG2 GLN 73 1HG GLN 73 -10.134 -15.227 7.845 557 HG3 GLN 73 2HG GLN 73 -8.688 -14.225 7.830 558 HE21 GLN 73 1HE2 GLN 73 -7.474 -14.146 9.759 559 HE22 GLN 73 2HE2 GLN 73 -8.045 -14.759 11.294 560 H MET 74 H MET 74 -9.906 -10.417 6.518 561 HA MET 74 HA MET 74 -7.210 -10.829 5.661 562 HB2 MET 74 1HB MET 74 -9.036 -10.135 4.118 563 HB3 MET 74 2HB MET 74 -9.242 -8.652 5.007 564 HG2 MET 74 1HG MET 74 -7.950 -8.323 2.931 565 HG3 MET 74 2HG MET 74 -6.983 -7.916 4.349 566 HE1 MET 74 3HE MET 74 -8.164 -10.874 2.392 567 HE2 MET 74 1HE MET 74 -7.183 -10.166 1.100 568 HE3 MET 74 2HE MET 74 -6.707 -11.738 1.829 569 H LEU 75 H LEU 75 -8.758 -8.014 7.285 570 HA LEU 75 HA LEU 75 -6.367 -6.516 7.461 571 HB2 LEU 75 1HB LEU 75 -9.023 -6.110 8.302 572 HB3 LEU 75 2HB LEU 75 -8.111 -6.066 9.798 573 HG LEU 75 HG LEU 75 -7.731 -4.338 7.315 574 HD11 LEU 75 1HD1 LEU 75 -9.602 -3.647 8.709 575 HD12 LEU 75 2HD1 LEU 75 -8.256 -2.513 8.963 576 HD13 LEU 75 3HD1 LEU 75 -8.583 -3.727 10.173 577 HD21 LEU 75 3HD2 LEU 75 -6.053 -4.233 9.850 578 HD22 LEU 75 1HD2 LEU 75 -6.015 -3.046 8.532 579 HD23 LEU 75 2HD2 LEU 75 -5.472 -4.698 8.243 580 H ARG 76 H ARG 76 -7.416 -9.162 9.517 581 HA ARG 76 HA ARG 76 -5.294 -8.796 11.505 582 HB2 ARG 76 1HB ARG 76 -7.191 -11.089 10.822 583 HB3 ARG 76 2HB ARG 76 -5.968 -11.196 12.093 584 HG2 ARG 76 1HG ARG 76 -6.931 -9.286 13.269 585 HG3 ARG 76 2HG ARG 76 -8.105 -9.004 11.991 586 HD2 ARG 76 1HD ARG 76 -9.042 -11.299 12.401 587 HD3 ARG 76 2HD ARG 76 -7.935 -11.444 13.788 588 HE ARG 76 HE ARG 76 -9.722 -9.081 13.589 589 HH11 ARG 76 1HH1 ARG 76 -9.195 -12.242 15.269 590 HH12 ARG 76 2HH1 ARG 76 -9.894 -11.668 16.738 591 HH21 ARG 76 1HH2 ARG 76 -10.987 -8.602 15.343 592 HH22 ARG 76 2HH2 ARG 76 -11.139 -9.653 16.720 593 H PHE 77 H PHE 77 -5.839 -11.115 8.761 594 HA PHE 77 HA PHE 77 -3.416 -12.463 8.959 595 HB2 PHE 77 1HB PHE 77 -5.157 -13.230 7.518 596 HB3 PHE 77 2HB PHE 77 -5.156 -11.742 6.577 597 HD1 PHE 77 2HD PHE 77 -3.192 -14.802 7.356 598 HD2 PHE 77 1HD PHE 77 -3.520 -11.314 4.848 599 HE1 PHE 77 2HE PHE 77 -1.511 -15.750 5.833 600 HE2 PHE 77 1HE PHE 77 -1.697 -12.169 3.418 601 HZ PHE 77 HZ PHE 77 -0.733 -14.433 3.838 602 H LEU 78 H LEU 78 -4.117 -9.511 7.048 603 HA LEU 78 HA LEU 78 -1.513 -9.270 5.938 604 HB2 LEU 78 1HB LEU 78 -3.583 -7.135 6.579 605 HB3 LEU 78 2HB LEU 78 -2.100 -6.861 5.659 606 HG LEU 78 HG LEU 78 -4.251 -8.767 4.773 607 HD11 LEU 78 1HD1 LEU 78 -3.649 -5.914 3.861 608 HD12 LEU 78 2HD1 LEU 78 -5.056 -6.427 4.826 609 HD13 LEU 78 3HD1 LEU 78 -4.871 -6.998 3.162 610 HD21 LEU 78 3HD2 LEU 78 -1.746 -7.695 3.400 611 HD22 LEU 78 1HD2 LEU 78 -3.068 -8.520 2.555 612 HD23 LEU 78 2HD2 LEU 78 -2.146 -9.387 3.776 613 H ASP 79 H ASP 79 -2.615 -8.479 9.225 614 HA ASP 79 HA ASP 79 -0.533 -6.515 9.768 615 HB2 ASP 79 1HB ASP 79 -2.708 -6.685 10.937 616 HB3 ASP 79 2HB ASP 79 -2.213 -8.235 11.641 617 H ASP 80 H ASP 80 -0.886 -10.002 9.876 618 HA ASP 80 HA ASP 80 1.714 -10.490 11.134 619 HB2 ASP 80 1HB ASP 80 -0.220 -12.049 11.376 620 HB3 ASP 80 2HB ASP 80 -0.185 -12.389 9.649 621 H PHE 81 H PHE 81 0.296 -10.833 7.840 622 HA PHE 81 HA PHE 81 2.704 -11.727 6.618 623 HB2 PHE 81 1HB PHE 81 0.568 -12.168 5.607 624 HB3 PHE 81 2HB PHE 81 0.194 -10.455 5.497 625 HD1 PHE 81 2HD PHE 81 3.013 -12.714 4.353 626 HD2 PHE 81 1HD PHE 81 0.317 -9.490 3.370 627 HE1 PHE 81 2HE PHE 81 4.038 -12.515 2.108 628 HE2 PHE 81 1HE PHE 81 1.304 -9.338 1.130 629 HZ PHE 81 HZ PHE 81 3.182 -10.847 0.475 630 H GLU 82 H GLU 82 1.627 -8.412 7.293 631 HA GLU 82 HA GLU 82 3.915 -7.357 5.720 632 HB2 GLU 82 1HB GLU 82 1.629 -5.760 6.898 633 HB3 GLU 82 2HB GLU 82 2.876 -5.202 5.808 634 HG2 GLU 82 1HG GLU 82 0.778 -7.298 5.049 635 HG3 GLU 82 2HG GLU 82 0.750 -5.599 4.636 636 H ASP 83 H ASP 83 3.780 -8.717 8.515 637 HA ASP 83 HA ASP 83 5.040 -8.649 10.376 638 HB2 ASP 83 1HB ASP 83 6.824 -7.544 8.188 639 HB3 ASP 83 2HB ASP 83 7.443 -7.894 9.792 640 H CYS 84 H CYS 84 3.279 -6.372 10.291 641 HA CYS 84 HA CYS 84 4.801 -4.158 11.512 642 HB2 CYS 84 1HB CYS 84 2.502 -3.228 11.974 643 HB3 CYS 84 2HB CYS 84 2.895 -3.511 10.268 644 HG CYS 84 HG CYS 84 1.603 -6.105 11.480 645 HA PRO 85 HA PRO 85 3.931 -2.564 13.350 646 HB2 PRO 85 1HB PRO 85 5.000 -1.798 15.723 647 HB3 PRO 85 2HB PRO 85 3.269 -2.165 15.477 648 HG2 PRO 85 1HG PRO 85 5.409 -3.919 16.679 649 HG3 PRO 85 2HG PRO 85 3.724 -3.679 17.228 650 HD2 PRO 85 1HD PRO 85 4.534 -5.829 15.692 651 HD3 PRO 85 2HD PRO 85 2.886 -5.158 15.643 652 H SER 86 H SER 86 6.450 -4.935 13.490 653 HA SER 86 HA SER 86 8.752 -3.338 13.802 654 HB2 SER 86 1HB SER 86 8.606 -5.797 12.037 655 HB3 SER 86 2HB SER 86 9.950 -5.197 13.014 656 HG SER 86 HG SER 86 8.393 -5.615 14.852 657 H MET 87 H MET 87 7.317 -4.622 10.766 658 HA MET 87 HA MET 87 8.932 -2.880 9.112 659 HB2 MET 87 1HB MET 87 6.651 -4.804 8.547 660 HB3 MET 87 2HB MET 87 7.451 -3.861 7.296 661 HG2 MET 87 1HG MET 87 9.635 -4.834 8.282 662 HG3 MET 87 2HG MET 87 8.595 -6.047 9.001 663 HE1 MET 87 3HE MET 87 7.260 -4.973 5.413 664 HE2 MET 87 1HE MET 87 7.295 -6.631 4.816 665 HE3 MET 87 2HE MET 87 6.455 -6.274 6.332 666 H TYR 88 H TYR 88 5.377 -3.162 9.064 667 HA TYR 88 HA TYR 88 5.144 -0.228 8.618 668 HB2 TYR 88 1HB TYR 88 3.235 -2.531 8.072 669 HB3 TYR 88 2HB TYR 88 2.874 -0.839 7.772 670 HD1 TYR 88 2HD TYR 88 4.138 0.474 6.031 671 HD2 TYR 88 1HD TYR 88 4.601 -3.786 6.514 672 HE1 TYR 88 2HE TYR 88 5.136 0.313 3.767 673 HE2 TYR 88 1HE TYR 88 5.672 -3.943 4.311 674 HH TYR 88 HH TYR 88 6.120 -2.806 2.314 675 H GLN 89 H GLN 89 2.867 0.567 9.650 676 HA GLN 89 HA GLN 89 2.407 -0.770 12.291 677 HB2 GLN 89 1HB GLN 89 3.479 1.954 11.763 678 HB3 GLN 89 2HB GLN 89 2.153 1.923 12.913 679 HG2 GLN 89 1HG GLN 89 3.313 0.781 14.505 680 HG3 GLN 89 2HG GLN 89 4.237 -0.176 13.359 681 HE21 GLN 89 1HE2 GLN 89 6.237 0.484 12.657 682 HE22 GLN 89 2HE2 GLN 89 7.001 2.012 13.065 683 H ARG 90 H ARG 90 1.031 0.297 9.548 684 HA ARG 90 HA ARG 90 -1.061 0.726 8.716 685 HB2 ARG 90 1HB ARG 90 -1.721 -1.325 9.597 686 HB3 ARG 90 2HB ARG 90 -1.806 -0.747 11.245 687 HG2 ARG 90 1HG ARG 90 -3.684 0.630 9.373 688 HG3 ARG 90 2HG ARG 90 -3.954 -1.067 9.519 689 HD2 ARG 90 1HD ARG 90 -3.997 0.971 11.767 690 HD3 ARG 90 2HD ARG 90 -5.352 0.049 11.076 691 HE ARG 90 HE ARG 90 -3.472 -1.817 12.027 692 HH11 ARG 90 1HH1 ARG 90 -5.739 0.519 13.403 693 HH12 ARG 90 2HH1 ARG 90 -6.181 -0.506 14.737 694 HH21 ARG 90 1HH2 ARG 90 -3.868 -3.036 13.843 695 HH22 ARG 90 2HH2 ARG 90 -5.185 -2.634 14.937 696 H THR 91 H THR 91 -2.316 2.613 8.452 697 HA THR 91 HA THR 91 -3.170 4.024 10.839 698 HB THR 91 HB THR 91 -1.452 5.489 8.782 699 HG1 THR 91 1HG THR 91 -0.721 4.063 11.059 700 HG21 THR 91 3HG2 THR 91 -2.307 6.270 11.619 701 HG22 THR 91 1HG2 THR 91 -2.912 6.996 10.109 702 HG23 THR 91 2HG2 THR 91 -1.219 7.210 10.579 703 H ALA 92 H ALA 92 -4.782 5.411 10.470 704 HA ALA 92 HA ALA 92 -6.404 5.327 8.057 705 HB1 ALA 92 1HB ALA 92 -7.812 6.856 9.513 706 HB2 ALA 92 2HB ALA 92 -7.454 5.282 10.246 707 HB3 ALA 92 3HB ALA 92 -6.575 6.741 10.751 708 H LEU 93 H LEU 93 -6.308 6.761 6.374 709 HA LEU 93 HA LEU 93 -5.367 9.522 6.617 710 HB2 LEU 93 1HB LEU 93 -3.592 9.188 5.120 711 HB3 LEU 93 2HB LEU 93 -3.385 7.929 6.312 712 HG LEU 93 HG LEU 93 -4.357 7.104 3.746 713 HD11 LEU 93 1HD1 LEU 93 -1.688 7.746 4.729 714 HD12 LEU 93 2HD1 LEU 93 -2.616 8.115 3.238 715 HD13 LEU 93 3HD1 LEU 93 -1.984 6.503 3.488 716 HD21 LEU 93 3HD2 LEU 93 -3.004 5.516 5.860 717 HD22 LEU 93 1HD2 LEU 93 -4.252 5.059 4.623 718 HD23 LEU 93 2HD2 LEU 93 -4.719 5.759 6.036 719 H GLN 94 H GLN 94 -5.266 10.509 4.325 720 HA GLN 94 HA GLN 94 -7.953 10.038 3.498 721 HB2 GLN 94 1HB GLN 94 -6.981 12.296 4.229 722 HB3 GLN 94 2HB GLN 94 -6.104 12.314 2.700 723 HG2 GLN 94 1HG GLN 94 -7.893 13.661 2.222 724 HG3 GLN 94 2HG GLN 94 -8.473 12.138 1.579 725 HE21 GLN 94 1HE2 GLN 94 -10.300 11.007 2.833 726 HE22 GLN 94 2HE2 GLN 94 -11.280 12.151 3.736 727 H VAL 95 H VAL 95 -8.788 9.383 1.630 728 HA VAL 95 HA VAL 95 -7.040 9.167 -0.769 729 HB VAL 95 HB VAL 95 -8.927 7.059 0.370 730 HG11 VAL 95 1HG1 VAL 95 -6.884 6.786 -1.880 731 HG12 VAL 95 2HG1 VAL 95 -8.046 5.569 -1.293 732 HG13 VAL 95 3HG1 VAL 95 -8.630 6.999 -2.135 733 HG21 VAL 95 3HG2 VAL 95 -6.778 5.741 0.724 734 HG22 VAL 95 1HG2 VAL 95 -5.885 7.241 0.435 735 HG23 VAL 95 2HG2 VAL 95 -6.986 7.107 1.826 736 H GLN 96 H GLN 96 -8.083 10.050 -2.590 737 HA GLN 96 HA GLN 96 -10.804 11.086 -2.419 738 HB2 GLN 96 1HB GLN 96 -9.318 12.531 -3.653 739 HB3 GLN 96 2HB GLN 96 -8.574 11.169 -4.472 740 HG2 GLN 96 1HG GLN 96 -10.651 10.780 -5.672 741 HG3 GLN 96 2HG GLN 96 -11.442 12.119 -4.840 742 HE21 GLN 96 1HE2 GLN 96 -12.000 12.871 -6.941 743 HE22 GLN 96 2HE2 GLN 96 -10.827 13.781 -7.896 744 H VAL 97 H VAL 97 -12.437 10.075 -3.599 745 HA VAL 97 HA VAL 97 -11.992 7.217 -4.307 746 HB VAL 97 HB VAL 97 -13.802 7.840 -2.722 747 HG11 VAL 97 1HG1 VAL 97 -14.112 9.831 -2.869 748 HG12 VAL 97 2HG1 VAL 97 -14.670 9.829 -4.588 749 HG13 VAL 97 3HG1 VAL 97 -15.660 9.098 -3.285 750 HG21 VAL 97 3HG2 VAL 97 -15.663 6.750 -3.730 751 HG22 VAL 97 1HG2 VAL 97 -15.111 7.150 -5.377 752 HG23 VAL 97 2HG2 VAL 97 -14.211 5.954 -4.394 753 H LEU 98 H LEU 98 -11.833 6.680 -6.409 754 HA LEU 98 HA LEU 98 -12.133 8.815 -8.474 755 HB2 LEU 98 1HB LEU 98 -10.225 6.632 -8.098 756 HB3 LEU 98 2HB LEU 98 -11.116 6.380 -9.594 757 HG LEU 98 HG LEU 98 -10.559 9.064 -9.837 758 HD11 LEU 98 1HD1 LEU 98 -8.213 9.349 -9.122 759 HD12 LEU 98 2HD1 LEU 98 -8.242 7.745 -8.372 760 HD13 LEU 98 3HD1 LEU 98 -9.304 9.056 -7.749 761 HD21 LEU 98 3HD2 LEU 98 -8.856 6.711 -10.684 762 HD22 LEU 98 1HD2 LEU 98 -8.719 8.369 -11.314 763 HD23 LEU 98 2HD2 LEU 98 -10.200 7.446 -11.580 764 H GLU 99 H GLU 99 -13.729 6.111 -7.150 765 HA GLU 99 HA GLU 99 -15.955 6.002 -8.875 766 HB2 GLU 99 1HB GLU 99 -14.172 4.878 -10.299 767 HB3 GLU 99 2HB GLU 99 -13.869 3.748 -8.994 768 HG2 GLU 99 1HG GLU 99 -16.123 2.804 -9.285 769 HG3 GLU 99 2HG GLU 99 -16.443 3.983 -10.584 770 H TRP 100 H TRP 100 -17.453 4.945 -7.651 771 HA TRP 100 HA TRP 100 -16.515 3.353 -5.323 772 HB2 TRP 100 1HB TRP 100 -17.322 5.623 -4.579 773 HB3 TRP 100 2HB TRP 100 -18.886 5.234 -5.253 774 HD1 TRP 100 HD TRP 100 -20.442 3.765 -3.632 775 HE1 TRP 100 1HE TRP 100 -20.133 2.378 -1.535 776 HE3 TRP 100 3HE TRP 100 -15.418 4.472 -2.972 777 HZ2 TRP 100 2HZ TRP 100 -17.953 1.670 0.265 778 HZ3 TRP 100 3HZ TRP 100 -14.261 3.473 -1.032 779 HH2 TRP 100 HH TRP 100 -15.506 2.038 0.578 780 H GLU 101 H GLU 101 -17.595 1.463 -5.120 781 HA GLU 101 HA GLU 101 -19.709 0.866 -7.140 782 HB2 GLU 101 1HB GLU 101 -17.548 -0.834 -5.832 783 HB3 GLU 101 2HB GLU 101 -18.948 -1.552 -6.630 784 HG2 GLU 101 1HG GLU 101 -16.950 0.331 -7.954 785 HG3 GLU 101 2HG GLU 101 -16.997 -1.421 -8.136 786 H GLY 102 H GLY 102 -21.681 1.050 -6.234 787 HA2 GLY 102 2HA GLY 102 -23.437 0.007 -5.095 788 HA3 GLY 102 1HA GLY 102 -22.268 -0.914 -4.144 789 H ASP 103 H ASP 103 -23.855 -0.378 -2.489 790 HA ASP 103 HA ASP 103 -24.406 2.196 -1.539 791 HB2 ASP 103 1HB ASP 103 -25.256 -0.321 -0.958 792 HB3 ASP 103 2HB ASP 103 -24.295 0.019 0.481 793 H GLY 104 H GLY 104 -23.837 2.990 0.686 794 HA2 GLY 104 2HA GLY 104 -22.332 3.544 2.398 795 HA3 GLY 104 1HA GLY 104 -21.342 2.171 1.921 796 H ASP 105 H ASP 105 -22.323 5.153 0.367 797 HA ASP 105 HA ASP 105 -19.835 5.728 -0.898 798 HB2 ASP 105 1HB ASP 105 -21.645 5.823 -2.284 799 HB3 ASP 105 2HB ASP 105 -22.665 6.667 -1.110 800 HA PRO 106 HA PRO 106 -19.172 8.341 2.820 801 HB2 PRO 106 1HB PRO 106 -16.483 8.733 2.549 802 HB3 PRO 106 2HB PRO 106 -17.180 7.180 3.093 803 HG2 PRO 106 1HG PRO 106 -16.325 7.946 0.278 804 HG3 PRO 106 2HG PRO 106 -15.909 6.460 1.183 805 HD2 PRO 106 1HD PRO 106 -17.912 6.490 -0.595 806 HD3 PRO 106 2HD PRO 106 -18.011 5.543 0.924 807 H GLY 107 H GLY 107 -18.756 9.184 -0.551 808 HA2 GLY 107 2HA GLY 107 -19.075 11.366 -1.444 809 HA3 GLY 107 1HA GLY 107 -18.487 12.083 0.082 810 H ASP 108 H ASP 108 -17.187 13.050 -1.964 811 HA ASP 108 HA ASP 108 -15.435 11.340 -3.356 812 HB2 ASP 108 1HB ASP 108 -15.161 14.314 -2.889 813 HB3 ASP 108 2HB ASP 108 -14.367 13.471 -4.195 814 H SER 109 H SER 109 -14.824 12.088 -0.139 815 HA SER 109 HA SER 109 -12.500 10.770 -0.904 816 HB2 SER 109 1HB SER 109 -11.026 11.794 0.698 817 HB3 SER 109 2HB SER 109 -11.370 12.835 -0.685 818 HG SER 109 HG SER 109 -12.604 13.077 1.903 819 H VAL 110 H VAL 110 -11.919 9.221 0.453 820 HA VAL 110 HA VAL 110 -13.568 8.841 2.895 821 HB VAL 110 HB VAL 110 -13.722 7.273 0.887 822 HG11 VAL 110 1HG1 VAL 110 -11.207 6.043 2.038 823 HG12 VAL 110 2HG1 VAL 110 -12.089 5.582 0.556 824 HG13 VAL 110 3HG1 VAL 110 -11.207 7.128 0.649 825 HG21 VAL 110 3HG2 VAL 110 -14.593 6.865 3.192 826 HG22 VAL 110 1HG2 VAL 110 -14.198 5.438 2.245 827 HG23 VAL 110 2HG2 VAL 110 -13.111 5.953 3.542 828 H GLN 111 H GLN 111 -12.484 7.839 4.699 829 HA GLN 111 HA GLN 111 -9.552 8.241 4.895 830 HB2 GLN 111 1HB GLN 111 -10.765 9.142 6.768 831 HB3 GLN 111 2HB GLN 111 -11.711 7.693 6.979 832 HG2 GLN 111 1HG GLN 111 -8.733 7.393 7.153 833 HG3 GLN 111 2HG GLN 111 -9.512 8.328 8.417 834 HE21 GLN 111 1HE2 GLN 111 -9.592 5.084 6.880 835 HE22 GLN 111 2HE2 GLN 111 -10.230 4.282 8.289 836 H CYS 112 H CYS 112 -8.524 6.458 4.096 837 HA CYS 112 HA CYS 112 -9.776 3.749 4.475 838 HB2 CYS 112 1HB CYS 112 -7.781 4.712 2.385 839 HB3 CYS 112 2HB CYS 112 -7.847 3.021 2.905 840 HG CYS 112 HG CYS 112 -9.248 2.609 1.021 841 H PHE 113 H PHE 113 -8.014 2.132 4.999 842 HA PHE 113 HA PHE 113 -5.892 3.263 6.759 843 HB2 PHE 113 1HB PHE 113 -6.729 0.405 6.268 844 HB3 PHE 113 2HB PHE 113 -5.566 0.959 7.463 845 HD1 PHE 113 1HD PHE 113 -7.159 3.368 8.555 846 HD2 PHE 113 2HD PHE 113 -8.195 -0.745 7.747 847 HE1 PHE 113 1HE PHE 113 -8.788 3.410 10.433 848 HE2 PHE 113 2HE PHE 113 -9.672 -0.734 9.759 849 HZ PHE 113 HZ PHE 113 -9.983 1.333 11.078 850 H VAL 114 H VAL 114 -3.696 3.036 6.114 851 HA VAL 114 HA VAL 114 -3.083 1.620 3.589 852 HB VAL 114 HB VAL 114 -2.235 4.502 4.215 853 HG11 VAL 114 1HG1 VAL 114 -0.192 3.257 3.490 854 HG12 VAL 114 2HG1 VAL 114 -1.084 2.586 2.117 855 HG13 VAL 114 3HG1 VAL 114 -0.763 4.327 2.208 856 HG21 VAL 114 3HG2 VAL 114 -3.171 5.176 2.306 857 HG22 VAL 114 1HG2 VAL 114 -3.213 3.524 1.587 858 HG23 VAL 114 2HG2 VAL 114 -4.356 4.014 2.864 859 H TYR 115 H TYR 115 -1.093 0.530 3.754 860 HA TYR 115 HA TYR 115 -0.009 0.258 6.469 861 HB2 TYR 115 1HB TYR 115 0.643 -1.023 3.825 862 HB3 TYR 115 2HB TYR 115 1.866 -0.981 5.081 863 HD1 TYR 115 1HD TYR 115 0.842 -1.493 7.602 864 HD2 TYR 115 2HD TYR 115 -0.598 -3.008 3.827 865 HE1 TYR 115 1HE TYR 115 -0.143 -3.441 8.777 866 HE2 TYR 115 2HE TYR 115 -1.607 -4.922 4.991 867 HH TYR 115 HH TYR 115 -0.944 -6.083 7.657 868 H THR 116 H THR 116 0.591 2.251 7.098 869 HA THR 116 HA THR 116 2.940 3.296 5.659 870 HB THR 116 HB THR 116 2.493 5.431 6.761 871 HG1 THR 116 1HG THR 116 1.421 4.806 8.635 872 HG21 THR 116 3HG2 THR 116 -0.139 4.468 5.610 873 HG22 THR 116 1HG2 THR 116 1.309 4.672 4.615 874 HG23 THR 116 2HG2 THR 116 0.610 6.074 5.473 875 H THR 117 H THR 117 4.490 4.413 7.301 876 HA THR 117 HA THR 117 4.746 2.966 9.813 877 HB THR 117 HB THR 117 5.921 1.609 8.124 878 HG1 THR 117 1HG THR 117 7.493 1.204 9.452 879 HG21 THR 117 3HG2 THR 117 7.835 2.255 6.916 880 HG22 THR 117 1HG2 THR 117 7.959 3.806 7.782 881 HG23 THR 117 2HG2 THR 117 6.642 3.524 6.613 882 H ALA 118 H ALA 118 5.097 4.537 11.291 883 HA ALA 118 HA ALA 118 5.677 7.259 10.313 884 HB1 ALA 118 1HB ALA 118 3.638 7.035 11.621 885 HB2 ALA 118 2HB ALA 118 4.550 6.266 12.963 886 HB3 ALA 118 3HB ALA 118 4.830 7.968 12.524 887 H THR 119 H THR 119 7.537 4.735 11.214 888 HA THR 119 HA THR 119 9.404 6.318 12.883 889 HB THR 119 HB THR 119 9.968 4.095 13.851 890 HG1 THR 119 1HG THR 119 9.365 2.527 12.586 891 HG21 THR 119 3HG2 THR 119 7.948 3.924 15.183 892 HG22 THR 119 1HG2 THR 119 6.969 4.669 13.911 893 HG23 THR 119 2HG2 THR 119 8.178 5.636 14.773 894 H TYR 120 H TYR 120 9.495 6.853 10.278 895 HA TYR 120 HA TYR 120 11.099 4.918 8.852 896 HB2 TYR 120 1HB TYR 120 10.943 6.625 6.988 897 HB3 TYR 120 2HB TYR 120 9.408 6.062 7.631 898 HD1 TYR 120 1HD TYR 120 11.757 8.927 7.483 899 HD2 TYR 120 2HD TYR 120 7.891 7.591 8.836 900 HE1 TYR 120 1HE TYR 120 11.266 11.192 8.345 901 HE2 TYR 120 2HE TYR 120 7.387 9.876 9.651 902 HH TYR 120 HH TYR 120 9.639 12.630 9.222 903 H ALA 121 H ALA 121 13.065 6.004 7.526 904 HA ALA 121 HA ALA 121 14.882 7.057 9.617 905 HB1 ALA 121 1HB ALA 121 15.415 4.824 8.661 906 HB2 ALA 121 2HB ALA 121 15.495 5.549 7.037 907 HB3 ALA 121 3HB ALA 121 16.664 6.016 8.287 908 HA PRO 122 HA PRO 122 15.183 10.851 7.373 909 HB2 PRO 122 1HB PRO 122 17.803 11.632 7.805 910 HB3 PRO 122 2HB PRO 122 16.528 11.695 9.061 911 HG2 PRO 122 1HG PRO 122 18.580 9.529 8.567 912 HG3 PRO 122 2HG PRO 122 18.153 10.285 10.132 913 HD2 PRO 122 1HD PRO 122 17.162 7.898 9.362 914 HD3 PRO 122 2HD PRO 122 16.119 9.061 10.236 915 H GLU 123 H GLU 123 17.778 8.501 6.844 916 HA GLU 123 HA GLU 123 18.517 9.392 4.228 917 HB2 GLU 123 1HB GLU 123 19.758 7.217 4.223 918 HB3 GLU 123 2HB GLU 123 20.100 8.242 5.606 919 HG2 GLU 123 1HG GLU 123 17.967 6.505 6.411 920 HG3 GLU 123 2HG GLU 123 19.094 5.504 5.510 921 H TRP 124 H TRP 124 15.592 8.064 5.145 922 HA TRP 124 HA TRP 124 15.257 6.746 2.498 923 HB2 TRP 124 1HB TRP 124 13.575 6.681 5.013 924 HB3 TRP 124 2HB TRP 124 13.035 6.096 3.469 925 HD1 TRP 124 HD TRP 124 16.598 5.156 3.748 926 HE1 TRP 124 1HE TRP 124 16.882 2.760 4.411 927 HE3 TRP 124 3HE TRP 124 11.808 4.209 5.240 928 HZ2 TRP 124 2HZ TRP 124 15.228 0.581 5.380 929 HZ3 TRP 124 3HZ TRP 124 11.236 1.967 6.236 930 HH2 TRP 124 HH TRP 124 12.960 0.167 6.302 931 H LEU 125 H LEU 125 14.646 9.654 4.380 932 HA LEU 125 HA LEU 125 12.456 10.536 2.615 933 HB2 LEU 125 1HB LEU 125 13.981 11.702 4.948 934 HB3 LEU 125 2HB LEU 125 13.195 12.808 3.820 935 HG LEU 125 HG LEU 125 11.737 10.609 5.314 936 HD11 LEU 125 1HD1 LEU 125 12.567 12.302 6.803 937 HD12 LEU 125 2HD1 LEU 125 10.786 12.477 6.579 938 HD13 LEU 125 3HD1 LEU 125 11.908 13.607 5.755 939 HD21 LEU 125 3HD2 LEU 125 10.876 12.784 3.377 940 HD22 LEU 125 1HD2 LEU 125 9.739 12.098 4.550 941 HD23 LEU 125 2HD2 LEU 125 10.476 11.044 3.350 942 H PHE 126 H PHE 126 15.989 10.901 2.766 943 HA PHE 126 HA PHE 126 16.186 13.087 0.941 944 HB2 PHE 126 1HB PHE 126 18.110 10.763 1.331 945 HB3 PHE 126 2HB PHE 126 18.499 12.311 0.600 946 HD1 PHE 126 2HD PHE 126 16.797 13.868 2.953 947 HD2 PHE 126 1HD PHE 126 20.054 11.025 2.806 948 HE1 PHE 126 2HE PHE 126 17.620 14.681 5.121 949 HE2 PHE 126 1HE PHE 126 20.863 11.857 4.986 950 HZ PHE 126 HZ PHE 126 19.658 13.673 6.159 951 H LEU 127 H LEU 127 15.379 9.765 0.381 952 HA LEU 127 HA LEU 127 16.521 9.385 -2.192 953 HB2 LEU 127 1HB LEU 127 14.087 8.067 -0.917 954 HB3 LEU 127 2HB LEU 127 15.017 7.420 -2.271 955 HG LEU 127 HG LEU 127 16.041 7.762 0.571 956 HD11 LEU 127 1HD1 LEU 127 15.316 5.249 -1.017 957 HD12 LEU 127 2HD1 LEU 127 14.413 5.919 0.363 958 HD13 LEU 127 3HD1 LEU 127 16.041 5.284 0.603 959 HD21 LEU 127 3HD2 LEU 127 18.007 6.491 -0.234 960 HD22 LEU 127 1HD2 LEU 127 17.868 8.029 -1.063 961 HD23 LEU 127 2HD2 LEU 127 17.355 6.530 -1.882 962 HA PRO 128 HA PRO 128 13.528 11.506 -4.796 963 HB2 PRO 128 1HB PRO 128 13.531 9.956 -7.075 964 HB3 PRO 128 2HB PRO 128 14.884 11.030 -6.626 965 HG2 PRO 128 1HG PRO 128 14.617 8.048 -6.133 966 HG3 PRO 128 2HG PRO 128 16.029 8.934 -6.792 967 HD2 PRO 128 1HD PRO 128 15.880 8.202 -4.190 968 HD3 PRO 128 2HD PRO 128 16.624 9.755 -4.662 969 H TYR 129 H TYR 129 11.368 11.257 -5.696 970 HA TYR 129 HA TYR 129 9.971 9.100 -4.209 971 HB2 TYR 129 1HB TYR 129 8.704 11.595 -5.253 972 HB3 TYR 129 2HB TYR 129 8.117 10.426 -4.090 973 HD1 TYR 129 1HD TYR 129 10.872 10.391 -2.591 974 HD2 TYR 129 2HD TYR 129 8.085 13.442 -3.755 975 HE1 TYR 129 1HE TYR 129 11.830 11.881 -0.882 976 HE2 TYR 129 2HE TYR 129 8.927 14.912 -1.949 977 HH TYR 129 HH TYR 129 10.215 14.066 0.538 978 H HIS 130 H HIS 130 7.981 8.317 -5.163 979 HA HIS 130 HA HIS 130 7.986 8.247 -8.132 980 HB2 HIS 130 1HB HIS 130 7.890 5.763 -6.357 981 HB3 HIS 130 2HB HIS 130 7.717 5.777 -8.099 982 HD1 HIS 130 1HD HIS 130 9.897 5.114 -9.338 983 HD2 HIS 130 2HD HIS 130 10.493 6.827 -5.531 984 HE1 HIS 130 1HE HIS 130 12.398 5.190 -8.973 985 H GLU 131 H GLU 131 6.079 9.129 -8.648 986 HA GLU 131 HA GLU 131 3.813 9.289 -7.075 987 HB2 GLU 131 1HB GLU 131 4.669 10.291 -9.506 988 HB3 GLU 131 2HB GLU 131 3.249 9.375 -9.926 989 HG2 GLU 131 1HG GLU 131 2.091 10.736 -7.910 990 HG3 GLU 131 2HG GLU 131 3.520 11.753 -8.234 991 H SER 132 H SER 132 4.809 6.475 -8.589 992 HA SER 132 HA SER 132 2.437 5.053 -7.830 993 HB2 SER 132 1HB SER 132 2.164 3.954 -10.071 994 HB3 SER 132 2HB SER 132 1.754 5.678 -10.103 995 HG SER 132 HG SER 132 4.296 4.602 -10.855 996 H TYR 133 H TYR 133 3.046 2.553 -8.432 997 HA TYR 133 HA TYR 133 5.965 2.223 -8.555 998 HB2 TYR 133 1HB TYR 133 5.233 2.027 -6.157 999 HB3 TYR 133 2HB TYR 133 4.213 0.671 -6.625 1000 HD1 TYR 133 1HD TYR 133 7.781 1.842 -7.122 1001 HD2 TYR 133 2HD TYR 133 5.144 -1.476 -6.296 1002 HE1 TYR 133 1HE TYR 133 9.729 0.356 -6.852 1003 HE2 TYR 133 2HE TYR 133 7.129 -2.942 -5.920 1004 HH TYR 133 HH TYR 133 10.456 -1.777 -6.522 1005 H ASP 134 H ASP 134 6.474 -0.105 -9.147 1006 HA ASP 134 HA ASP 134 4.526 -1.529 -10.699 1007 HB2 ASP 134 1HB ASP 134 5.733 -1.253 -12.826 1008 HB3 ASP 134 2HB ASP 134 4.994 0.244 -12.292 1009 H SER 135 H SER 135 5.547 -3.446 -11.653 1010 HA SER 135 HA SER 135 8.145 -4.251 -10.453 1011 HB2 SER 135 1HB SER 135 5.918 -5.647 -10.108 1012 HB3 SER 135 2HB SER 135 6.295 -6.254 -11.715 1013 HG SER 135 HG SER 135 8.366 -6.809 -10.927 1014 H GLU 136 H GLU 136 6.797 -3.033 -13.315 1015 HA GLU 136 HA GLU 136 8.920 -3.972 -15.030 1016 HB2 GLU 136 1HB GLU 136 5.923 -4.240 -15.350 1017 HB3 GLU 136 2HB GLU 136 6.867 -3.797 -16.774 1018 HG2 GLU 136 1HG GLU 136 7.742 -6.128 -15.033 1019 HG3 GLU 136 2HG GLU 136 6.462 -6.250 -16.213 1020 H GLY 137 H GLY 137 9.822 -2.167 -14.773 1021 HA2 GLY 137 2HA GLY 137 8.797 0.384 -15.962 1022 HA3 GLY 137 1HA GLY 137 9.382 0.255 -14.327 1023 HA PRO 138 HA PRO 138 13.206 0.966 -16.933 1024 HB2 PRO 138 1HB PRO 138 13.422 3.709 -16.701 1025 HB3 PRO 138 2HB PRO 138 12.687 2.882 -18.104 1026 HG2 PRO 138 1HG PRO 138 11.275 4.029 -15.671 1027 HG3 PRO 138 2HG PRO 138 10.866 4.277 -17.397 1028 HD2 PRO 138 1HD PRO 138 9.542 2.452 -15.975 1029 HD3 PRO 138 2HD PRO 138 10.051 2.077 -17.637 1030 H HIS 139 H HIS 139 11.652 1.878 -13.892 1031 HA HIS 139 HA HIS 139 14.160 2.294 -12.459 1032 HB2 HIS 139 1HB HIS 139 11.337 1.849 -11.483 1033 HB3 HIS 139 2HB HIS 139 12.722 2.229 -10.475 1034 HD1 HIS 139 1HD HIS 139 13.957 4.864 -11.579 1035 HD2 HIS 139 2HD HIS 139 9.852 3.865 -11.724 1036 HE1 HIS 139 1HE HIS 139 12.710 7.025 -11.713 1037 H GLY 140 H GLY 140 15.156 0.473 -13.229 1038 HA2 GLY 140 2HA GLY 140 14.480 -2.247 -13.002 1039 HA3 GLY 140 1HA GLY 140 16.110 -1.594 -13.062 1040 H LEU 141 H LEU 141 13.650 -1.301 -10.463 1041 HA LEU 141 HA LEU 141 15.358 -2.735 -8.512 1042 HB2 LEU 141 1HB LEU 141 14.898 -0.796 -6.948 1043 HB3 LEU 141 2HB LEU 141 16.180 -0.575 -8.112 1044 HG LEU 141 HG LEU 141 13.529 0.384 -9.081 1045 HD11 LEU 141 1HD1 LEU 141 14.718 1.688 -6.626 1046 HD12 LEU 141 2HD1 LEU 141 13.168 0.821 -6.793 1047 HD13 LEU 141 3HD1 LEU 141 13.422 2.354 -7.657 1048 HD21 LEU 141 3HD2 LEU 141 16.262 1.662 -8.790 1049 HD22 LEU 141 1HD2 LEU 141 14.873 2.418 -9.606 1050 HD23 LEU 141 2HD2 LEU 141 15.573 0.918 -10.247 1051 H ARG 142 H ARG 142 13.727 -4.355 -8.455 1052 HA ARG 142 HA ARG 142 11.038 -3.368 -7.740 1053 HB2 ARG 142 1HB ARG 142 11.411 -5.870 -9.387 1054 HB3 ARG 142 2HB ARG 142 9.925 -5.031 -8.971 1055 HG2 ARG 142 1HG ARG 142 10.218 -4.320 -11.122 1056 HG3 ARG 142 2HG ARG 142 10.981 -2.986 -10.263 1057 HD2 ARG 142 1HD ARG 142 13.151 -3.930 -10.684 1058 HD3 ARG 142 2HD ARG 142 12.469 -5.433 -11.314 1059 HE ARG 142 HE ARG 142 11.975 -2.798 -12.630 1060 HH11 ARG 142 1HH1 ARG 142 12.728 -6.275 -12.962 1061 HH12 ARG 142 2HH1 ARG 142 12.767 -6.267 -14.670 1062 HH21 ARG 142 1HH2 ARG 142 12.095 -2.730 -14.906 1063 HH22 ARG 142 2HH2 ARG 142 12.473 -4.174 -15.786 1064 H TYR 143 H TYR 143 9.752 -4.908 -6.399 1065 HA TYR 143 HA TYR 143 11.213 -5.817 -4.237 1066 HB2 TYR 143 1HB TYR 143 8.724 -5.499 -4.152 1067 HB3 TYR 143 2HB TYR 143 8.528 -6.946 -5.122 1068 HD1 TYR 143 2HD TYR 143 10.830 -6.291 -2.169 1069 HD2 TYR 143 1HD TYR 143 7.431 -8.486 -3.670 1070 HE1 TYR 143 2HE TYR 143 10.835 -7.694 -0.144 1071 HE2 TYR 143 1HE TYR 143 7.434 -9.883 -1.640 1072 HH TYR 143 HH TYR 143 8.356 -10.142 0.532 1073 H ASN 144 H ASN 144 12.404 -7.569 -3.763 1074 HA ASN 144 HA ASN 144 12.569 -9.729 -5.842 1075 HB2 ASN 144 1HB ASN 144 14.493 -7.788 -4.759 1076 HB3 ASN 144 2HB ASN 144 15.072 -9.387 -4.395 1077 HD21 ASN 144 1HD2 ASN 144 14.076 -7.235 -7.043 1078 HD22 ASN 144 2HD2 ASN 144 15.018 -8.110 -8.254 1079 HA PRO 145 HA PRO 145 11.561 -11.831 -1.827 1080 HB2 PRO 145 1HB PRO 145 9.365 -13.268 -2.653 1081 HB3 PRO 145 2HB PRO 145 9.277 -11.591 -2.055 1082 HG2 PRO 145 1HG PRO 145 9.436 -12.492 -4.968 1083 HG3 PRO 145 2HG PRO 145 8.259 -11.364 -4.214 1084 HD2 PRO 145 1HD PRO 145 10.475 -10.582 -5.563 1085 HD3 PRO 145 2HD PRO 145 9.932 -9.700 -4.107 1086 H ARG 146 H ARG 146 11.195 -13.184 -5.166 1087 HA ARG 146 HA ARG 146 12.936 -15.453 -4.498 1088 HB2 ARG 146 1HB ARG 146 10.424 -15.840 -3.844 1089 HB3 ARG 146 2HB ARG 146 10.138 -15.953 -5.577 1090 HG2 ARG 146 1HG ARG 146 10.826 -18.094 -5.546 1091 HG3 ARG 146 2HG ARG 146 12.442 -17.589 -5.000 1092 HD2 ARG 146 1HD ARG 146 11.738 -17.706 -2.660 1093 HD3 ARG 146 2HD ARG 146 10.056 -18.013 -3.140 1094 HE ARG 146 HE ARG 146 11.655 -20.007 -4.317 1095 HH11 ARG 146 1HH1 ARG 146 10.576 -19.019 -1.062 1096 HH12 ARG 146 2HH1 ARG 146 10.367 -20.665 -0.539 1097 HH21 ARG 146 1HH2 ARG 146 11.351 -22.198 -3.490 1098 HH22 ARG 146 2HH2 ARG 146 11.169 -22.416 -1.784 1099 H GLU 147 H GLU 147 13.177 -13.165 -6.274 1100 HA GLU 147 HA GLU 147 12.930 -14.157 -9.036 1101 HB2 GLU 147 1HB GLU 147 14.178 -11.762 -7.674 1102 HB3 GLU 147 2HB GLU 147 14.556 -12.132 -9.351 1103 HG2 GLU 147 1HG GLU 147 11.735 -11.677 -8.345 1104 HG3 GLU 147 2HG GLU 147 12.766 -10.384 -8.914 1105 H ASN 148 H ASN 148 15.522 -13.229 -6.826 1106 HA ASN 148 HA ASN 148 17.300 -15.208 -8.154 1107 HB2 ASN 148 1HB ASN 148 19.130 -13.984 -7.571 1108 HB3 ASN 148 2HB ASN 148 17.967 -12.785 -8.129 1109 HD21 ASN 148 1HD2 ASN 148 16.930 -11.330 -6.359 1110 HD22 ASN 148 2HD2 ASN 148 17.906 -11.149 -4.935 1111 H ARG 149 H ARG 149 15.314 -15.242 -5.606 1112 HA ARG 149 HA ARG 149 15.111 -16.062 -3.578 1113 HB2 ARG 149 1HB ARG 149 16.250 -18.196 -4.443 1114 HB3 ARG 149 2HB ARG 149 17.741 -17.554 -3.768 1115 HG2 ARG 149 1HG ARG 149 16.917 -18.890 -2.035 1116 HG3 ARG 149 2HG ARG 149 16.443 -17.267 -1.545 1117 HD2 ARG 149 1HD ARG 149 14.321 -18.031 -1.373 1118 HD3 ARG 149 2HD ARG 149 14.287 -18.112 -3.133 1119 HE ARG 149 HE ARG 149 14.642 -20.417 -3.094 1120 HH11 ARG 149 1HH1 ARG 149 14.951 -19.133 0.214 1121 HH12 ARG 149 2HH1 ARG 149 14.960 -20.692 0.946 1122 HH21 ARG 149 1HH2 ARG 149 14.765 -22.412 -2.129 1123 HH22 ARG 149 2HH2 ARG 149 14.861 -22.620 -0.390 Start of MODEL 10 1 H1 MET 1 H MET 1 -17.418 -4.817 8.447 2 HA MET 1 HA MET 1 -15.832 -5.044 5.975 3 HB2 MET 1 1HB MET 1 -17.380 -3.290 5.108 4 HB3 MET 1 2HB MET 1 -18.165 -4.798 5.478 5 HG2 MET 1 1HG MET 1 -19.602 -3.800 6.875 6 HG3 MET 1 2HG MET 1 -18.311 -3.056 7.806 7 HE1 MET 1 3HE MET 1 -20.994 -1.481 7.671 8 HE2 MET 1 1HE MET 1 -19.482 -0.939 8.438 9 HE3 MET 1 2HE MET 1 -20.345 0.137 7.326 10 H ALA 2 H ALA 2 -13.945 -4.033 5.992 11 HA ALA 2 HA ALA 2 -13.759 -1.318 7.160 12 HB1 ALA 2 1HB ALA 2 -12.395 -2.689 8.621 13 HB2 ALA 2 2HB ALA 2 -11.585 -3.461 7.231 14 HB3 ALA 2 3HB ALA 2 -11.349 -1.727 7.572 15 H HIS 3 H HIS 3 -13.623 -0.026 5.408 16 HA HIS 3 HA HIS 3 -12.695 -1.090 2.839 17 HB2 HIS 3 1HB HIS 3 -13.883 1.573 3.761 18 HB3 HIS 3 2HB HIS 3 -13.360 1.246 2.110 19 HD1 HIS 3 1HD HIS 3 -16.528 0.846 4.059 20 HD2 HIS 3 2HD HIS 3 -14.423 -1.043 0.921 21 HE1 HIS 3 1HE HIS 3 -18.127 -0.801 3.004 22 H ILE 4 H ILE 4 -10.564 -0.925 2.237 23 HA ILE 4 HA ILE 4 -8.822 1.014 3.679 24 HB ILE 4 HB ILE 4 -6.996 -0.550 3.727 25 HG12 ILE 4 1HG1 ILE 4 -8.854 -2.782 2.845 26 HG13 ILE 4 2HG1 ILE 4 -7.819 -1.929 1.717 27 HG21 ILE 4 1HG2 ILE 4 -9.361 -1.826 5.125 28 HG22 ILE 4 2HG2 ILE 4 -7.645 -1.825 5.614 29 HG23 ILE 4 3HG2 ILE 4 -8.566 -0.328 5.646 30 HD11 ILE 4 3HD1 ILE 4 -6.796 -3.478 4.121 31 HD12 ILE 4 1HD1 ILE 4 -6.727 -3.971 2.419 32 HD13 ILE 4 2HD1 ILE 4 -5.808 -2.558 2.953 33 H PHE 5 H PHE 5 -6.491 0.740 2.378 34 HA PHE 5 HA PHE 5 -7.064 1.117 -0.487 35 HB2 PHE 5 1HB PHE 5 -6.795 3.292 0.790 36 HB3 PHE 5 2HB PHE 5 -5.174 2.777 1.237 37 HD1 PHE 5 1HD PHE 5 -7.257 2.836 -1.922 38 HD2 PHE 5 2HD PHE 5 -3.516 3.908 -0.029 39 HE1 PHE 5 1HE PHE 5 -6.455 3.771 -4.036 40 HE2 PHE 5 2HE PHE 5 -2.749 4.898 -2.191 41 HZ PHE 5 HZ PHE 5 -4.181 4.880 -4.130 42 H VAL 6 H VAL 6 -4.937 0.899 -1.703 43 HA VAL 6 HA VAL 6 -3.068 -0.945 -0.317 44 HB VAL 6 HB VAL 6 -4.620 -2.025 -1.944 45 HG11 VAL 6 1HG1 VAL 6 -3.155 -0.336 -4.032 46 HG12 VAL 6 2HG1 VAL 6 -4.266 -1.657 -4.374 47 HG13 VAL 6 3HG1 VAL 6 -4.860 -0.208 -3.558 48 HG21 VAL 6 3HG2 VAL 6 -3.027 -3.395 -2.908 49 HG22 VAL 6 1HG2 VAL 6 -1.762 -2.163 -2.931 50 HG23 VAL 6 2HG2 VAL 6 -2.327 -2.884 -1.381 51 H TYR 7 H TYR 7 -0.904 -0.752 -0.884 52 HA TYR 7 HA TYR 7 -0.131 1.951 -1.535 53 HB2 TYR 7 1HB TYR 7 1.787 -0.224 -0.801 54 HB3 TYR 7 2HB TYR 7 1.789 1.466 -0.290 55 HD1 TYR 7 2HD TYR 7 -0.962 1.790 0.856 56 HD2 TYR 7 1HD TYR 7 1.706 -1.605 1.061 57 HE1 TYR 7 2HE TYR 7 -2.516 0.635 2.413 58 HE2 TYR 7 1HE TYR 7 0.227 -2.667 2.717 59 HH TYR 7 HH TYR 7 -2.442 -2.471 3.137 60 H GLY 8 H GLY 8 0.383 -1.302 -2.821 61 HA2 GLY 8 2HA GLY 8 0.207 -0.614 -5.546 62 HA3 GLY 8 1HA GLY 8 1.894 -0.571 -5.125 63 H THR 9 H THR 9 1.456 -2.726 -3.020 64 HA THR 9 HA THR 9 2.414 -4.884 -4.416 65 HB THR 9 HB THR 9 1.748 -5.852 -1.980 66 HG1 THR 9 1HG THR 9 1.333 -4.241 -0.522 67 HG21 THR 9 3HG2 THR 9 4.015 -5.478 -2.906 68 HG22 THR 9 1HG2 THR 9 3.926 -4.820 -1.260 69 HG23 THR 9 2HG2 THR 9 3.836 -3.739 -2.645 70 H LEU 10 H LEU 10 -0.933 -4.134 -3.585 71 HA LEU 10 HA LEU 10 -1.765 -6.554 -5.110 72 HB2 LEU 10 1HB LEU 10 -3.547 -5.483 -2.923 73 HB3 LEU 10 2HB LEU 10 -3.486 -7.019 -3.723 74 HG LEU 10 HG LEU 10 -1.073 -7.183 -2.535 75 HD11 LEU 10 1HD1 LEU 10 -1.176 -5.005 -1.394 76 HD12 LEU 10 2HD1 LEU 10 -1.233 -6.322 -0.224 77 HD13 LEU 10 3HD1 LEU 10 -2.719 -5.469 -0.635 78 HD21 LEU 10 3HD2 LEU 10 -3.656 -7.771 -1.057 79 HD22 LEU 10 1HD2 LEU 10 -2.050 -8.547 -0.846 80 HD23 LEU 10 2HD2 LEU 10 -2.933 -8.801 -2.333 81 H LYS 11 H LYS 11 -1.236 -4.813 -6.753 82 HA LYS 11 HA LYS 11 -3.685 -3.497 -7.559 83 HB2 LYS 11 1HB LYS 11 -2.759 -1.822 -5.975 84 HB3 LYS 11 2HB LYS 11 -1.248 -1.791 -6.853 85 HG2 LYS 11 1HG LYS 11 -3.425 -1.350 -8.720 86 HG3 LYS 11 2HG LYS 11 -3.705 -0.324 -7.338 87 HD2 LYS 11 1HD LYS 11 -1.804 0.954 -7.709 88 HD3 LYS 11 2HD LYS 11 -0.927 -0.370 -8.497 89 HE2 LYS 11 1HE LYS 11 -1.987 -0.106 -10.549 90 HE3 LYS 11 2HE LYS 11 -3.378 0.683 -9.849 91 HZ1 LYS 11 3HZ LYS 11 -2.081 2.662 -9.509 92 HZ2 LYS 11 1HZ LYS 11 -1.927 2.249 -11.053 93 HZ3 LYS 11 2HZ LYS 11 -0.689 1.926 -9.991 94 H ARG 12 H ARG 12 -0.319 -2.620 -8.453 95 HA ARG 12 HA ARG 12 -1.088 -2.658 -11.188 96 HB2 ARG 12 1HB ARG 12 1.554 -2.384 -9.754 97 HB3 ARG 12 2HB ARG 12 1.564 -2.748 -11.470 98 HG2 ARG 12 1HG ARG 12 0.064 -0.347 -10.534 99 HG3 ARG 12 2HG ARG 12 1.799 -0.348 -10.789 100 HD2 ARG 12 1HD ARG 12 1.210 -1.425 -13.120 101 HD3 ARG 12 2HD ARG 12 -0.392 -0.744 -12.826 102 HE ARG 12 HE ARG 12 1.644 1.256 -12.372 103 HH11 ARG 12 1HH1 ARG 12 0.300 -0.616 -15.103 104 HH12 ARG 12 2HH1 ARG 12 0.569 0.678 -16.228 105 HH21 ARG 12 1HH2 ARG 12 2.303 2.779 -13.982 106 HH22 ARG 12 2HH2 ARG 12 1.824 2.532 -15.606 107 H GLY 13 H GLY 13 1.054 -4.937 -9.573 108 HA2 GLY 13 2HA GLY 13 0.057 -7.238 -10.600 109 HA3 GLY 13 1HA GLY 13 1.154 -6.670 -11.874 110 H GLN 14 H GLN 14 1.495 -6.185 -8.391 111 HA GLN 14 HA GLN 14 4.260 -7.110 -8.232 112 HB2 GLN 14 1HB GLN 14 2.255 -5.736 -6.524 113 HB3 GLN 14 2HB GLN 14 3.269 -6.895 -5.672 114 HG2 GLN 14 1HG GLN 14 4.241 -4.683 -5.559 115 HG3 GLN 14 2HG GLN 14 5.293 -5.764 -6.453 116 HE21 GLN 14 1HE2 GLN 14 2.463 -3.557 -7.310 117 HE22 GLN 14 2HE2 GLN 14 3.382 -2.790 -8.595 118 HA PRO 15 HA PRO 15 3.447 -11.314 -7.754 119 HB2 PRO 15 1HB PRO 15 5.232 -12.087 -5.696 120 HB3 PRO 15 2HB PRO 15 5.672 -11.746 -7.398 121 HG2 PRO 15 1HG PRO 15 5.811 -10.022 -4.949 122 HG3 PRO 15 2HG PRO 15 7.006 -10.158 -6.283 123 HD2 PRO 15 1HD PRO 15 5.252 -8.092 -6.044 124 HD3 PRO 15 2HD PRO 15 5.814 -8.689 -7.640 125 H ASN 16 H ASN 16 2.754 -9.259 -5.136 126 HA ASN 16 HA ASN 16 1.559 -11.294 -3.377 127 HB2 ASN 16 1HB ASN 16 1.542 -8.365 -2.771 128 HB3 ASN 16 2HB ASN 16 1.650 -9.716 -1.668 129 HD21 ASN 16 1HD2 ASN 16 3.375 -7.428 -3.480 130 HD22 ASN 16 2HD2 ASN 16 5.018 -7.861 -3.099 131 H HIS 17 H HIS 17 0.306 -10.459 -6.054 132 HA HIS 17 HA HIS 17 -2.158 -9.235 -5.075 133 HB2 HIS 17 1HB HIS 17 -1.232 -9.093 -7.503 134 HB3 HIS 17 2HB HIS 17 -1.771 -10.749 -7.711 135 HD1 HIS 17 1HD HIS 17 -2.889 -8.127 -9.360 136 HD2 HIS 17 2HD HIS 17 -4.773 -10.205 -6.194 137 HE1 HIS 17 1HE HIS 17 -5.333 -7.562 -9.465 138 H LYS 18 H LYS 18 -1.295 -12.588 -6.139 139 HA LYS 18 HA LYS 18 -3.877 -13.611 -5.823 140 HB2 LYS 18 1HB LYS 18 -2.912 -15.810 -5.744 141 HB3 LYS 18 2HB LYS 18 -2.179 -14.857 -7.014 142 HG2 LYS 18 1HG LYS 18 -0.729 -14.839 -4.373 143 HG3 LYS 18 2HG LYS 18 -0.830 -16.396 -5.225 144 HD2 LYS 18 1HD LYS 18 0.039 -15.038 -7.293 145 HD3 LYS 18 2HD LYS 18 0.398 -13.814 -6.054 146 HE2 LYS 18 1HE LYS 18 2.378 -15.165 -6.629 147 HE3 LYS 18 2HE LYS 18 1.912 -15.337 -4.929 148 HZ1 LYS 18 3HZ LYS 18 2.486 -17.453 -6.212 149 HZ2 LYS 18 1HZ LYS 18 1.022 -17.307 -6.941 150 HZ3 LYS 18 2HZ LYS 18 1.112 -17.473 -5.324 151 H VAL 19 H VAL 19 -1.657 -12.920 -3.143 152 HA VAL 19 HA VAL 19 -2.828 -14.678 -1.286 153 HB VAL 19 HB VAL 19 -1.933 -12.974 0.382 154 HG11 VAL 19 1HG1 VAL 19 0.483 -13.394 -0.570 155 HG12 VAL 19 2HG1 VAL 19 -0.521 -14.786 -0.153 156 HG13 VAL 19 3HG1 VAL 19 -0.350 -14.316 -1.847 157 HG21 VAL 19 3HG2 VAL 19 -0.859 -11.611 -2.121 158 HG22 VAL 19 1HG2 VAL 19 -2.142 -10.939 -1.120 159 HG23 VAL 19 2HG2 VAL 19 -0.521 -11.171 -0.441 160 H MET 20 H MET 20 -4.060 -11.500 -2.457 161 HA MET 20 HA MET 20 -6.076 -11.456 -0.351 162 HB2 MET 20 1HB MET 20 -6.969 -9.545 -1.418 163 HB3 MET 20 2HB MET 20 -5.242 -9.360 -1.290 164 HG2 MET 20 1HG MET 20 -4.917 -9.367 -3.556 165 HG3 MET 20 2HG MET 20 -6.228 -10.510 -3.874 166 HE1 MET 20 3HE MET 20 -6.714 -6.027 -3.073 167 HE2 MET 20 1HE MET 20 -6.974 -7.162 -1.742 168 HE3 MET 20 2HE MET 20 -5.397 -7.075 -2.544 169 H LEU 21 H LEU 21 -5.751 -13.375 -3.047 170 HA LEU 21 HA LEU 21 -8.625 -13.483 -3.754 171 HB2 LEU 21 1HB LEU 21 -6.301 -15.037 -4.947 172 HB3 LEU 21 2HB LEU 21 -7.896 -14.842 -5.609 173 HG LEU 21 HG LEU 21 -5.830 -12.639 -5.391 174 HD11 LEU 21 1HD1 LEU 21 -5.637 -12.810 -7.771 175 HD12 LEU 21 2HD1 LEU 21 -7.015 -13.941 -7.878 176 HD13 LEU 21 3HD1 LEU 21 -5.497 -14.454 -7.144 177 HD21 LEU 21 3HD2 LEU 21 -8.080 -11.689 -5.125 178 HD22 LEU 21 1HD2 LEU 21 -8.643 -12.538 -6.571 179 HD23 LEU 21 2HD2 LEU 21 -7.415 -11.254 -6.689 180 H ASP 22 H ASP 22 -6.875 -14.499 -1.202 181 HA ASP 22 HA ASP 22 -8.062 -17.231 -1.110 182 HB2 ASP 22 1HB ASP 22 -5.854 -16.207 0.722 183 HB3 ASP 22 2HB ASP 22 -6.395 -17.849 0.477 184 H HIS 23 H HIS 23 -10.108 -16.733 -0.352 185 HA HIS 23 HA HIS 23 -10.679 -14.670 1.476 186 HB2 HIS 23 1HB HIS 23 -12.325 -15.778 0.032 187 HB3 HIS 23 2HB HIS 23 -12.163 -17.248 0.987 188 HD1 HIS 23 1HD HIS 23 -14.251 -17.409 2.573 189 HD2 HIS 23 2HD HIS 23 -12.803 -13.517 1.936 190 HE1 HIS 23 1HE HIS 23 -15.605 -15.880 4.108 191 H SER 24 H SER 24 -9.264 -17.785 2.035 192 HA SER 24 HA SER 24 -9.827 -18.040 4.848 193 HB2 SER 24 1HB SER 24 -9.069 -19.794 3.058 194 HB3 SER 24 2HB SER 24 -7.432 -19.216 3.405 195 HG SER 24 HG SER 24 -7.448 -20.222 5.186 196 H HIS 25 H HIS 25 -7.392 -16.204 2.985 197 HA HIS 25 HA HIS 25 -5.857 -15.512 5.408 198 HB2 HIS 25 1HB HIS 25 -5.686 -14.603 2.510 199 HB3 HIS 25 2HB HIS 25 -4.673 -14.006 3.814 200 HD1 HIS 25 1HD HIS 25 -3.808 -15.960 1.132 201 HD2 HIS 25 2HD HIS 25 -4.124 -16.911 5.219 202 HE1 HIS 25 1HE HIS 25 -2.317 -17.954 1.543 203 H GLY 26 H GLY 26 -8.384 -14.193 3.202 204 HA2 GLY 26 2HA GLY 26 -9.970 -13.225 5.166 205 HA3 GLY 26 1HA GLY 26 -8.815 -11.901 4.939 206 H LEU 27 H LEU 27 -11.250 -11.172 4.485 207 HA LEU 27 HA LEU 27 -12.110 -11.644 1.732 208 HB2 LEU 27 1HB LEU 27 -13.754 -11.156 3.516 209 HB3 LEU 27 2HB LEU 27 -12.920 -9.629 3.808 210 HG LEU 27 HG LEU 27 -13.545 -8.841 1.507 211 HD11 LEU 27 1HD1 LEU 27 -15.262 -10.190 0.263 212 HD12 LEU 27 2HD1 LEU 27 -14.985 -11.523 1.421 213 HD13 LEU 27 3HD1 LEU 27 -13.695 -10.984 0.334 214 HD21 LEU 27 3HD2 LEU 27 -15.898 -9.813 3.160 215 HD22 LEU 27 1HD2 LEU 27 -15.922 -8.530 1.917 216 HD23 LEU 27 2HD2 LEU 27 -14.997 -8.301 3.411 217 H ALA 28 H ALA 28 -11.557 -10.524 0.057 218 HA ALA 28 HA ALA 28 -11.136 -7.685 0.308 219 HB1 ALA 28 1HB ALA 28 -9.264 -7.575 -1.297 220 HB2 ALA 28 2HB ALA 28 -8.768 -8.424 0.197 221 HB3 ALA 28 3HB ALA 28 -9.167 -9.331 -1.299 222 H ALA 29 H ALA 29 -12.221 -6.666 -1.409 223 HA ALA 29 HA ALA 29 -12.368 -8.040 -3.970 224 HB1 ALA 29 1HB ALA 29 -14.891 -7.169 -2.494 225 HB2 ALA 29 2HB ALA 29 -14.815 -7.772 -4.170 226 HB3 ALA 29 3HB ALA 29 -14.411 -8.848 -2.822 227 H PHE 30 H PHE 30 -12.832 -6.595 -5.650 228 HA PHE 30 HA PHE 30 -11.729 -3.956 -5.388 229 HB2 PHE 30 1HB PHE 30 -11.502 -5.392 -7.380 230 HB3 PHE 30 2HB PHE 30 -13.240 -5.411 -7.615 231 HD1 PHE 30 2HD PHE 30 -10.592 -2.780 -7.184 232 HD2 PHE 30 1HD PHE 30 -14.127 -4.054 -9.355 233 HE1 PHE 30 2HE PHE 30 -10.438 -0.838 -8.661 234 HE2 PHE 30 1HE PHE 30 -13.816 -2.219 -10.930 235 HZ PHE 30 HZ PHE 30 -12.020 -0.584 -10.612 236 H ARG 31 H ARG 31 -12.886 -2.432 -4.246 237 HA ARG 31 HA ARG 31 -15.768 -2.036 -4.959 238 HB2 ARG 31 1HB ARG 31 -15.498 -3.148 -2.686 239 HB3 ARG 31 2HB ARG 31 -14.471 -1.802 -2.181 240 HG2 ARG 31 1HG ARG 31 -16.606 -1.357 -1.224 241 HG3 ARG 31 2HG ARG 31 -16.463 -0.258 -2.586 242 HD2 ARG 31 1HD ARG 31 -18.609 -1.059 -2.884 243 HD3 ARG 31 2HD ARG 31 -17.650 -2.135 -3.934 244 HE ARG 31 HE ARG 31 -18.049 -3.196 -1.249 245 HH11 ARG 31 1HH1 ARG 31 -19.711 -2.774 -4.358 246 HH12 ARG 31 2HH1 ARG 31 -20.884 -3.999 -4.072 247 HH21 ARG 31 1HH2 ARG 31 -19.219 -5.010 -1.040 248 HH22 ARG 31 2HH2 ARG 31 -20.325 -5.604 -2.254 249 H GLY 32 H GLY 32 -14.463 -0.948 -6.515 250 HA2 GLY 32 2HA GLY 32 -14.278 1.143 -7.464 251 HA3 GLY 32 1HA GLY 32 -14.370 1.881 -5.841 252 H ARG 33 H ARG 33 -12.770 3.169 -6.787 253 HA ARG 33 HA ARG 33 -9.979 2.084 -6.715 254 HB2 ARG 33 1HB ARG 33 -11.292 3.709 -8.918 255 HB3 ARG 33 2HB ARG 33 -9.531 3.634 -8.722 256 HG2 ARG 33 1HG ARG 33 -9.444 1.283 -9.085 257 HG3 ARG 33 2HG ARG 33 -11.190 1.120 -8.848 258 HD2 ARG 33 1HD ARG 33 -10.571 0.839 -11.174 259 HD3 ARG 33 2HD ARG 33 -11.747 2.131 -10.855 260 HE ARG 33 HE ARG 33 -9.983 3.748 -11.088 261 HH11 ARG 33 1HH1 ARG 33 -9.940 0.718 -12.947 262 HH12 ARG 33 2HH1 ARG 33 -9.503 1.555 -14.358 263 HH21 ARG 33 1HH2 ARG 33 -8.934 4.663 -12.835 264 HH22 ARG 33 2HH2 ARG 33 -8.574 3.688 -14.235 265 H GLY 34 H GLY 34 -8.316 3.852 -6.339 266 HA2 GLY 34 2HA GLY 34 -9.288 6.460 -5.554 267 HA3 GLY 34 1HA GLY 34 -8.930 5.429 -4.170 268 H CYS 35 H CYS 35 -7.579 7.622 -4.321 269 HA CYS 35 HA CYS 35 -4.836 6.773 -4.911 270 HB2 CYS 35 1HB CYS 35 -5.958 9.472 -5.797 271 HB3 CYS 35 2HB CYS 35 -4.294 8.929 -5.903 272 HG CYS 35 HG CYS 35 -5.130 8.937 -8.251 273 H THR 36 H THR 36 -3.408 7.704 -3.307 274 HA THR 36 HA THR 36 -4.663 9.090 -1.036 275 HB THR 36 HB THR 36 -2.260 9.233 -0.298 276 HG1 THR 36 1HG THR 36 -0.847 8.851 -1.764 277 HG21 THR 36 3HG2 THR 36 -2.275 6.372 -0.657 278 HG22 THR 36 1HG2 THR 36 -3.919 6.891 -0.322 279 HG23 THR 36 2HG2 THR 36 -2.589 7.305 0.801 280 H VAL 37 H VAL 37 -5.557 10.925 -2.003 281 HA VAL 37 HA VAL 37 -4.195 12.485 -3.940 282 HB VAL 37 HB VAL 37 -5.711 14.356 -3.227 283 HG11 VAL 37 1HG1 VAL 37 -7.665 13.216 -4.231 284 HG12 VAL 37 2HG1 VAL 37 -6.172 12.953 -5.099 285 HG13 VAL 37 3HG1 VAL 37 -6.769 11.652 -4.078 286 HG21 VAL 37 3HG2 VAL 37 -6.113 13.754 -0.863 287 HG22 VAL 37 1HG2 VAL 37 -7.597 13.867 -1.786 288 HG23 VAL 37 2HG2 VAL 37 -6.932 12.258 -1.373 289 H GLU 38 H GLU 38 -4.281 12.532 -0.389 290 HA GLU 38 HA GLU 38 -2.600 14.772 0.019 291 HB2 GLU 38 1HB GLU 38 -4.056 12.837 1.581 292 HB3 GLU 38 2HB GLU 38 -2.357 12.614 1.998 293 HG2 GLU 38 1HG GLU 38 -2.689 14.267 3.470 294 HG3 GLU 38 2HG GLU 38 -2.462 15.297 2.043 295 H SER 39 H SER 39 -0.578 14.870 -0.673 296 HA SER 39 HA SER 39 0.794 12.746 -1.846 297 HB2 SER 39 1HB SER 39 2.263 15.075 -0.576 298 HB3 SER 39 2HB SER 39 2.505 14.280 -2.191 299 HG SER 39 HG SER 39 1.572 16.168 -2.671 300 H PHE 40 H PHE 40 2.730 11.442 -0.962 301 HA PHE 40 HA PHE 40 3.148 11.688 1.886 302 HB2 PHE 40 1HB PHE 40 2.017 9.151 0.496 303 HB3 PHE 40 2HB PHE 40 2.981 9.029 1.882 304 HD1 PHE 40 2HD PHE 40 2.392 10.554 3.978 305 HD2 PHE 40 1HD PHE 40 -0.336 9.387 0.876 306 HE1 PHE 40 2HE PHE 40 0.460 10.872 5.545 307 HE2 PHE 40 1HE PHE 40 -2.246 9.814 2.374 308 HZ PHE 40 HZ PHE 40 -1.860 10.472 4.726 309 HA PRO 41 HA PRO 41 7.146 10.857 0.284 310 HB2 PRO 41 1HB PRO 41 7.823 9.472 2.811 311 HB3 PRO 41 2HB PRO 41 8.587 10.888 2.119 312 HG2 PRO 41 1HG PRO 41 6.964 11.096 4.239 313 HG3 PRO 41 2HG PRO 41 6.795 12.294 2.919 314 HD2 PRO 41 1HD PRO 41 5.180 9.726 3.412 315 HD3 PRO 41 2HD PRO 41 4.624 11.400 3.131 316 H LEU 42 H LEU 42 5.949 8.976 -1.150 317 HA LEU 42 HA LEU 42 6.661 6.291 -0.394 318 HB2 LEU 42 1HB LEU 42 4.729 6.930 -1.912 319 HB3 LEU 42 2HB LEU 42 5.894 7.438 -3.121 320 HG LEU 42 HG LEU 42 6.778 5.085 -3.248 321 HD11 LEU 42 1HD1 LEU 42 4.245 4.301 -1.778 322 HD12 LEU 42 2HD1 LEU 42 5.843 4.305 -0.998 323 HD13 LEU 42 3HD1 LEU 42 5.510 3.241 -2.385 324 HD21 LEU 42 3HD2 LEU 42 5.084 5.977 -4.880 325 HD22 LEU 42 1HD2 LEU 42 3.831 5.219 -3.890 326 HD23 LEU 42 2HD2 LEU 42 5.089 4.224 -4.672 327 H VAL 43 H VAL 43 8.938 5.964 -0.103 328 HA VAL 43 HA VAL 43 10.612 6.396 -2.534 329 HB VAL 43 HB VAL 43 12.551 6.836 -1.242 330 HG11 VAL 43 1HG1 VAL 43 11.004 8.713 -1.742 331 HG12 VAL 43 2HG1 VAL 43 10.313 8.511 -0.098 332 HG13 VAL 43 3HG1 VAL 43 12.006 8.983 -0.318 333 HG21 VAL 43 3HG2 VAL 43 10.849 6.294 1.213 334 HG22 VAL 43 1HG2 VAL 43 12.418 5.569 0.732 335 HG23 VAL 43 2HG2 VAL 43 12.342 7.238 1.274 336 H ILE 44 H ILE 44 11.574 4.674 -3.420 337 HA ILE 44 HA ILE 44 11.328 2.028 -2.285 338 HB ILE 44 HB ILE 44 12.937 2.890 -4.705 339 HG12 ILE 44 1HG1 ILE 44 10.110 1.712 -4.668 340 HG13 ILE 44 2HG1 ILE 44 10.433 3.431 -4.842 341 HG21 ILE 44 1HG2 ILE 44 12.825 0.466 -5.295 342 HG22 ILE 44 2HG2 ILE 44 13.559 0.647 -3.724 343 HG23 ILE 44 3HG2 ILE 44 11.868 0.125 -3.853 344 HD11 ILE 44 3HD1 ILE 44 10.076 2.630 -7.020 345 HD12 ILE 44 1HD1 ILE 44 11.824 2.906 -6.885 346 HD13 ILE 44 2HD1 ILE 44 11.164 1.260 -6.806 347 H ALA 45 H ALA 45 12.570 1.356 -0.653 348 HA ALA 45 HA ALA 45 15.422 2.172 -0.534 349 HB1 ALA 45 1HB ALA 45 14.131 3.495 1.116 350 HB2 ALA 45 2HB ALA 45 13.502 1.970 1.809 351 HB3 ALA 45 3HB ALA 45 15.231 2.336 1.874 352 H GLY 46 H GLY 46 16.563 0.620 0.907 353 HA2 GLY 46 2HA GLY 46 16.890 -1.432 1.952 354 HA3 GLY 46 1HA GLY 46 15.256 -1.941 1.507 355 H GLU 47 H GLU 47 17.619 -3.517 1.302 356 HA GLU 47 HA GLU 47 18.618 -3.532 -1.408 357 HB2 GLU 47 1HB GLU 47 19.303 -4.712 1.137 358 HB3 GLU 47 2HB GLU 47 19.032 -6.035 -0.011 359 HG2 GLU 47 1HG GLU 47 20.517 -4.737 -1.625 360 HG3 GLU 47 2HG GLU 47 20.954 -3.678 -0.270 361 H HIS 48 H HIS 48 15.834 -4.824 0.071 362 HA HIS 48 HA HIS 48 15.593 -6.853 -2.037 363 HB2 HIS 48 1HB HIS 48 14.666 -6.618 0.768 364 HB3 HIS 48 2HB HIS 48 13.404 -7.175 -0.313 365 HD1 HIS 48 1HD HIS 48 13.683 -9.607 -1.393 366 HD2 HIS 48 2HD HIS 48 16.964 -8.206 0.882 367 HE1 HIS 48 1HE HIS 48 15.228 -11.552 -1.092 368 H ASN 49 H ASN 49 15.204 -3.830 -2.128 369 HA ASN 49 HA ASN 49 14.076 -2.358 -3.323 370 HB2 ASN 49 1HB ASN 49 12.817 -4.689 -4.773 371 HB3 ASN 49 2HB ASN 49 13.117 -3.129 -5.461 372 HD21 ASN 49 1HD2 ASN 49 14.982 -3.020 -6.712 373 HD22 ASN 49 2HD2 ASN 49 16.146 -4.318 -6.810 374 H ILE 50 H ILE 50 13.022 -2.259 -1.083 375 HA ILE 50 HA ILE 50 10.229 -3.168 -0.967 376 HB ILE 50 HB ILE 50 12.163 -2.686 1.311 377 HG12 ILE 50 1HG1 ILE 50 10.878 -5.248 0.266 378 HG13 ILE 50 2HG1 ILE 50 12.549 -4.791 -0.038 379 HG21 ILE 50 1HG2 ILE 50 10.277 -3.514 2.712 380 HG22 ILE 50 2HG2 ILE 50 9.783 -2.081 1.845 381 HG23 ILE 50 3HG2 ILE 50 9.270 -3.679 1.256 382 HD11 ILE 50 3HD1 ILE 50 11.360 -5.417 2.684 383 HD12 ILE 50 1HD1 ILE 50 12.509 -6.383 1.768 384 HD13 ILE 50 2HD1 ILE 50 13.017 -4.813 2.407 385 HA PRO 51 HA PRO 51 9.811 1.443 -1.220 386 HB2 PRO 51 1HB PRO 51 7.124 1.324 -1.914 387 HB3 PRO 51 2HB PRO 51 8.481 1.369 -3.087 388 HG2 PRO 51 1HG PRO 51 6.931 -1.005 -2.072 389 HG3 PRO 51 2HG PRO 51 7.465 -0.585 -3.732 390 HD2 PRO 51 1HD PRO 51 8.811 -2.374 -2.205 391 HD3 PRO 51 2HD PRO 51 9.676 -1.269 -3.316 392 H TRP 52 H TRP 52 9.139 2.674 0.411 393 HA TRP 52 HA TRP 52 7.091 1.636 2.265 394 HB2 TRP 52 1HB TRP 52 9.256 3.532 3.128 395 HB3 TRP 52 2HB TRP 52 8.128 2.673 4.140 396 HD1 TRP 52 HD TRP 52 11.111 1.845 1.845 397 HE1 TRP 52 1HE TRP 52 12.270 -0.272 2.691 398 HE3 TRP 52 3HE TRP 52 8.200 0.945 5.921 399 HZ2 TRP 52 2HZ TRP 52 12.072 -2.051 5.013 400 HZ3 TRP 52 3HZ TRP 52 8.673 -0.925 7.435 401 HH2 TRP 52 HH TRP 52 10.616 -2.462 6.993 402 H LEU 53 H LEU 53 5.486 3.216 2.750 403 HA LEU 53 HA LEU 53 5.458 5.475 0.849 404 HB2 LEU 53 1HB LEU 53 3.692 3.860 1.322 405 HB3 LEU 53 2HB LEU 53 3.561 4.361 2.961 406 HG LEU 53 HG LEU 53 2.029 4.955 1.367 407 HD11 LEU 53 1HD1 LEU 53 1.122 6.891 2.280 408 HD12 LEU 53 2HD1 LEU 53 2.672 7.257 3.079 409 HD13 LEU 53 3HD1 LEU 53 1.690 5.776 3.454 410 HD21 LEU 53 3HD2 LEU 53 3.320 5.877 -0.438 411 HD22 LEU 53 1HD2 LEU 53 3.723 7.295 0.528 412 HD23 LEU 53 2HD2 LEU 53 2.026 6.976 -0.013 413 H LEU 54 H LEU 54 6.020 5.013 3.710 414 HA LEU 54 HA LEU 54 6.565 5.817 5.904 415 HB2 LEU 54 1HB LEU 54 7.170 8.325 4.374 416 HB3 LEU 54 2HB LEU 54 7.832 7.898 5.968 417 HG LEU 54 HG LEU 54 8.464 6.529 3.310 418 HD11 LEU 54 1HD1 LEU 54 10.125 8.124 5.216 419 HD12 LEU 54 2HD1 LEU 54 9.556 8.685 3.729 420 HD13 LEU 54 3HD1 LEU 54 10.699 7.322 3.573 421 HD21 LEU 54 3HD2 LEU 54 8.496 4.825 5.019 422 HD22 LEU 54 1HD2 LEU 54 9.406 5.879 6.131 423 HD23 LEU 54 2HD2 LEU 54 10.092 5.215 4.592 424 H TYR 55 H TYR 55 6.084 8.431 7.072 425 HA TYR 55 HA TYR 55 3.233 8.924 6.471 426 HB2 TYR 55 1HB TYR 55 3.383 7.587 8.525 427 HB3 TYR 55 2HB TYR 55 4.401 8.810 9.280 428 HD1 TYR 55 2HD TYR 55 1.060 8.255 7.675 429 HD2 TYR 55 1HD TYR 55 3.351 10.735 10.346 430 HE1 TYR 55 2HE TYR 55 -0.933 9.639 8.038 431 HE2 TYR 55 1HE TYR 55 1.365 12.152 10.705 432 HH TYR 55 HH TYR 55 -1.636 11.754 8.749 433 H LEU 56 H LEU 56 3.622 10.768 5.253 434 HA LEU 56 HA LEU 56 3.891 13.042 6.943 435 HB2 LEU 56 1HB LEU 56 6.248 12.377 5.883 436 HB3 LEU 56 2HB LEU 56 5.739 13.401 4.600 437 HG LEU 56 HG LEU 56 5.190 14.565 7.279 438 HD11 LEU 56 1HD1 LEU 56 8.075 14.008 6.540 439 HD12 LEU 56 2HD1 LEU 56 7.132 13.211 7.843 440 HD13 LEU 56 3HD1 LEU 56 7.475 14.935 7.934 441 HD21 LEU 56 3HD2 LEU 56 6.904 15.713 5.097 442 HD22 LEU 56 1HD2 LEU 56 6.130 16.533 6.474 443 HD23 LEU 56 2HD2 LEU 56 5.117 15.877 5.201 444 HA PRO 57 HA PRO 57 0.655 13.332 3.695 445 HB2 PRO 57 1HB PRO 57 -1.059 14.986 5.120 446 HB3 PRO 57 2HB PRO 57 -0.998 13.204 5.288 447 HG2 PRO 57 1HG PRO 57 0.316 15.290 7.032 448 HG3 PRO 57 2HG PRO 57 -0.607 13.843 7.540 449 HD2 PRO 57 1HD PRO 57 2.131 13.910 7.457 450 HD3 PRO 57 2HD PRO 57 1.225 12.412 7.057 451 H GLY 58 H GLY 58 0.824 14.815 2.102 452 HA2 GLY 58 2HA GLY 58 0.860 16.955 1.107 453 HA3 GLY 58 1HA GLY 58 1.187 17.706 2.673 454 H LYS 59 H LYS 59 3.372 15.029 2.113 455 HA LYS 59 HA LYS 59 5.359 16.807 0.733 456 HB2 LYS 59 1HB LYS 59 5.866 16.540 3.096 457 HB3 LYS 59 2HB LYS 59 5.607 14.801 2.989 458 HG2 LYS 59 1HG LYS 59 7.963 15.265 3.182 459 HG3 LYS 59 2HG LYS 59 7.619 14.521 1.631 460 HD2 LYS 59 1HD LYS 59 9.190 16.252 1.280 461 HD3 LYS 59 2HD LYS 59 7.672 16.807 0.589 462 HE2 LYS 59 1HE LYS 59 7.341 17.968 2.954 463 HE3 LYS 59 2HE LYS 59 9.077 17.725 3.111 464 HZ1 LYS 59 3HZ LYS 59 8.617 19.868 2.142 465 HZ2 LYS 59 1HZ LYS 59 7.642 19.218 0.998 466 HZ3 LYS 59 2HZ LYS 59 9.263 18.924 0.930 467 H GLY 60 H GLY 60 6.715 15.671 -0.832 468 HA2 GLY 60 2HA GLY 60 7.156 14.058 -2.368 469 HA3 GLY 60 1HA GLY 60 6.318 12.832 -1.370 470 H HIS 61 H HIS 61 4.910 11.977 -2.979 471 HA HIS 61 HA HIS 61 3.226 13.951 -4.461 472 HB2 HIS 61 1HB HIS 61 4.448 11.450 -5.655 473 HB3 HIS 61 2HB HIS 61 3.612 12.768 -6.481 474 HD1 HIS 61 1HD HIS 61 5.256 15.290 -5.489 475 HD2 HIS 61 2HD HIS 61 6.897 11.560 -6.571 476 HE1 HIS 61 1HE HIS 61 7.698 15.704 -5.981 477 H CYS 62 H CYS 62 1.295 12.788 -5.455 478 HA CYS 62 HA CYS 62 -0.116 11.185 -3.527 479 HB2 CYS 62 1HB CYS 62 -1.656 10.663 -5.431 480 HB3 CYS 62 2HB CYS 62 -1.450 12.321 -5.007 481 HG CYS 62 HG CYS 62 0.375 12.872 -6.907 482 H VAL 63 H VAL 63 -1.001 9.062 -3.904 483 HA VAL 63 HA VAL 63 0.660 7.470 -5.703 484 HB VAL 63 HB VAL 63 -0.073 6.559 -2.879 485 HG11 VAL 63 1HG1 VAL 63 -0.054 4.644 -4.341 486 HG12 VAL 63 2HG1 VAL 63 1.586 5.084 -4.910 487 HG13 VAL 63 3HG1 VAL 63 1.313 4.631 -3.211 488 HG21 VAL 63 3HG2 VAL 63 2.370 6.526 -2.457 489 HG22 VAL 63 1HG2 VAL 63 2.649 7.318 -4.020 490 HG23 VAL 63 2HG2 VAL 63 1.756 8.147 -2.722 491 H THR 64 H THR 64 -0.550 6.527 -7.214 492 HA THR 64 HA THR 64 -3.456 6.387 -6.830 493 HB THR 64 HB THR 64 -3.581 5.471 -9.059 494 HG1 THR 64 1HG THR 64 -0.727 5.609 -9.127 495 HG21 THR 64 3HG2 THR 64 -3.247 7.886 -8.936 496 HG22 THR 64 1HG2 THR 64 -2.534 7.192 -10.411 497 HG23 THR 64 2HG2 THR 64 -1.510 7.705 -9.050 498 H GLY 65 H GLY 65 -4.804 4.375 -6.829 499 HA2 GLY 65 2HA GLY 65 -3.566 1.808 -6.663 500 HA3 GLY 65 1HA GLY 65 -3.962 2.471 -5.063 501 H GLU 66 H GLU 66 -5.437 0.623 -4.953 502 HA GLU 66 HA GLU 66 -7.995 1.025 -6.374 503 HB2 GLU 66 1HB GLU 66 -6.291 -1.430 -5.939 504 HB3 GLU 66 2HB GLU 66 -8.002 -1.598 -5.630 505 HG2 GLU 66 1HG GLU 66 -7.987 -2.184 -7.825 506 HG3 GLU 66 2HG GLU 66 -8.302 -0.463 -7.997 507 H ILE 67 H ILE 67 -9.906 0.354 -5.024 508 HA ILE 67 HA ILE 67 -9.340 0.583 -2.124 509 HB ILE 67 HB ILE 67 -11.799 1.320 -3.742 510 HG12 ILE 67 1HG1 ILE 67 -9.971 2.890 -1.876 511 HG13 ILE 67 2HG1 ILE 67 -9.974 2.994 -3.633 512 HG21 ILE 67 1HG2 ILE 67 -12.763 1.822 -1.422 513 HG22 ILE 67 2HG2 ILE 67 -12.626 0.126 -1.830 514 HG23 ILE 67 3HG2 ILE 67 -11.433 0.865 -0.754 515 HD11 ILE 67 3HD1 ILE 67 -12.383 3.784 -3.520 516 HD12 ILE 67 1HD1 ILE 67 -12.156 3.943 -1.758 517 HD13 ILE 67 2HD1 ILE 67 -11.165 4.897 -2.862 518 H TYR 68 H TYR 68 -9.686 -1.167 -0.981 519 HA TYR 68 HA TYR 68 -11.211 -3.391 -2.209 520 HB2 TYR 68 1HB TYR 68 -8.819 -3.592 -0.368 521 HB3 TYR 68 2HB TYR 68 -9.822 -4.937 -0.914 522 HD1 TYR 68 2HD TYR 68 -10.147 -5.178 -3.516 523 HD2 TYR 68 1HD TYR 68 -6.928 -2.925 -1.710 524 HE1 TYR 68 2HE TYR 68 -8.890 -5.283 -5.646 525 HE2 TYR 68 1HE TYR 68 -5.675 -3.085 -3.791 526 HH TYR 68 HH TYR 68 -5.490 -4.159 -5.813 527 H GLU 69 H GLU 69 -13.018 -3.728 -1.279 528 HA GLU 69 HA GLU 69 -13.759 -3.047 1.463 529 HB2 GLU 69 1HB GLU 69 -15.449 -3.267 -0.302 530 HB3 GLU 69 2HB GLU 69 -14.840 -4.866 -0.739 531 HG2 GLU 69 1HG GLU 69 -15.557 -5.686 1.538 532 HG3 GLU 69 2HG GLU 69 -16.234 -4.098 1.847 533 H VAL 70 H VAL 70 -12.618 -4.094 3.138 534 HA VAL 70 HA VAL 70 -12.076 -6.975 2.697 535 HB VAL 70 HB VAL 70 -10.063 -6.861 3.881 536 HG11 VAL 70 1HG1 VAL 70 -8.613 -5.537 2.405 537 HG12 VAL 70 2HG1 VAL 70 -9.872 -6.377 1.490 538 HG13 VAL 70 3HG1 VAL 70 -10.012 -4.638 1.809 539 HG21 VAL 70 3HG2 VAL 70 -8.932 -4.981 4.771 540 HG22 VAL 70 1HG2 VAL 70 -10.197 -3.881 4.219 541 HG23 VAL 70 2HG2 VAL 70 -10.537 -5.051 5.513 542 H ASP 71 H ASP 71 -11.615 -7.987 4.988 543 HA ASP 71 HA ASP 71 -13.426 -6.853 7.029 544 HB2 ASP 71 1HB ASP 71 -13.458 -9.710 6.037 545 HB3 ASP 71 2HB ASP 71 -13.823 -9.331 7.717 546 H GLU 72 H GLU 72 -12.987 -8.107 9.142 547 HA GLU 72 HA GLU 72 -10.537 -7.264 10.054 548 HB2 GLU 72 1HB GLU 72 -12.868 -8.531 11.113 549 HB3 GLU 72 2HB GLU 72 -11.504 -9.526 11.653 550 HG2 GLU 72 1HG GLU 72 -10.362 -7.472 12.467 551 HG3 GLU 72 2HG GLU 72 -11.736 -6.526 11.885 552 H GLN 73 H GLN 73 -11.353 -10.518 8.770 553 HA GLN 73 HA GLN 73 -8.984 -11.733 9.730 554 HB2 GLN 73 1HB GLN 73 -11.047 -12.893 8.851 555 HB3 GLN 73 2HB GLN 73 -10.490 -12.499 7.222 556 HG2 GLN 73 1HG GLN 73 -9.942 -14.828 7.916 557 HG3 GLN 73 2HG GLN 73 -8.495 -13.891 7.549 558 HE21 GLN 73 1HE2 GLN 73 -6.933 -13.659 9.123 559 HE22 GLN 73 2HE2 GLN 73 -7.134 -14.104 10.808 560 H MET 74 H MET 74 -9.591 -9.804 6.780 561 HA MET 74 HA MET 74 -6.991 -10.476 5.573 562 HB2 MET 74 1HB MET 74 -8.870 -9.716 4.186 563 HB3 MET 74 2HB MET 74 -9.048 -8.294 5.140 564 HG2 MET 74 1HG MET 74 -7.897 -7.268 3.533 565 HG3 MET 74 2HG MET 74 -6.513 -7.824 4.399 566 HE1 MET 74 3HE MET 74 -7.166 -11.015 1.273 567 HE2 MET 74 1HE MET 74 -7.170 -11.121 3.030 568 HE3 MET 74 2HE MET 74 -8.549 -10.393 2.143 569 H LEU 75 H LEU 75 -8.379 -7.801 7.551 570 HA LEU 75 HA LEU 75 -6.009 -6.239 7.455 571 HB2 LEU 75 1HB LEU 75 -8.455 -5.705 8.339 572 HB3 LEU 75 2HB LEU 75 -7.779 -6.203 9.891 573 HG LEU 75 HG LEU 75 -5.871 -4.483 9.455 574 HD11 LEU 75 1HD1 LEU 75 -6.442 -2.603 7.948 575 HD12 LEU 75 2HD1 LEU 75 -7.862 -3.503 7.363 576 HD13 LEU 75 3HD1 LEU 75 -6.216 -4.094 7.043 577 HD21 LEU 75 3HD2 LEU 75 -7.658 -4.136 11.064 578 HD22 LEU 75 1HD2 LEU 75 -8.707 -3.465 9.779 579 HD23 LEU 75 2HD2 LEU 75 -7.217 -2.614 10.258 580 H ARG 76 H ARG 76 -6.828 -8.914 9.575 581 HA ARG 76 HA ARG 76 -4.466 -8.602 11.304 582 HB2 ARG 76 1HB ARG 76 -6.290 -10.967 10.825 583 HB3 ARG 76 2HB ARG 76 -4.946 -10.938 11.982 584 HG2 ARG 76 1HG ARG 76 -6.001 -9.003 13.165 585 HG3 ARG 76 2HG ARG 76 -7.398 -9.112 12.072 586 HD2 ARG 76 1HD ARG 76 -7.247 -11.684 12.811 587 HD3 ARG 76 2HD ARG 76 -6.426 -11.005 14.219 588 HE ARG 76 HE ARG 76 -8.908 -9.633 13.600 589 HH11 ARG 76 1HH1 ARG 76 -7.602 -12.529 15.189 590 HH12 ARG 76 2HH1 ARG 76 -9.120 -13.001 15.885 591 HH21 ARG 76 1HH2 ARG 76 -10.875 -10.127 14.727 592 HH22 ARG 76 2HH2 ARG 76 -10.997 -11.578 15.653 593 H PHE 77 H PHE 77 -5.188 -10.468 8.340 594 HA PHE 77 HA PHE 77 -2.706 -11.904 8.359 595 HB2 PHE 77 1HB PHE 77 -4.564 -12.735 7.097 596 HB3 PHE 77 2HB PHE 77 -4.740 -11.221 6.223 597 HD1 PHE 77 2HD PHE 77 -2.528 -14.208 6.612 598 HD2 PHE 77 1HD PHE 77 -3.381 -10.659 4.349 599 HE1 PHE 77 2HE PHE 77 -1.249 -15.132 4.713 600 HE2 PHE 77 1HE PHE 77 -1.967 -11.498 2.499 601 HZ PHE 77 HZ PHE 77 -0.958 -13.791 2.635 602 H LEU 78 H LEU 78 -3.724 -8.961 6.590 603 HA LEU 78 HA LEU 78 -1.318 -8.208 5.369 604 HB2 LEU 78 1HB LEU 78 -3.686 -6.710 6.486 605 HB3 LEU 78 2HB LEU 78 -2.256 -5.780 6.099 606 HG LEU 78 HG LEU 78 -2.358 -6.134 3.828 607 HD11 LEU 78 1HD1 LEU 78 -2.622 -8.524 3.596 608 HD12 LEU 78 2HD1 LEU 78 -3.897 -7.711 2.681 609 HD13 LEU 78 3HD1 LEU 78 -4.278 -8.454 4.255 610 HD21 LEU 78 3HD2 LEU 78 -5.242 -6.099 4.805 611 HD22 LEU 78 1HD2 LEU 78 -4.681 -5.550 3.217 612 HD23 LEU 78 2HD2 LEU 78 -4.155 -4.694 4.677 613 H ASP 79 H ASP 79 -2.366 -7.351 8.722 614 HA ASP 79 HA ASP 79 -0.195 -5.849 9.522 615 HB2 ASP 79 1HB ASP 79 -2.329 -6.418 10.779 616 HB3 ASP 79 2HB ASP 79 -1.598 -7.945 11.206 617 H ASP 80 H ASP 80 -0.467 -9.347 9.475 618 HA ASP 80 HA ASP 80 2.146 -9.967 10.584 619 HB2 ASP 80 1HB ASP 80 0.219 -11.321 11.057 620 HB3 ASP 80 2HB ASP 80 -0.166 -11.555 9.355 621 H PHE 81 H PHE 81 1.096 -9.030 7.440 622 HA PHE 81 HA PHE 81 2.935 -10.795 5.949 623 HB2 PHE 81 1HB PHE 81 0.496 -10.240 5.292 624 HB3 PHE 81 2HB PHE 81 1.068 -8.635 4.885 625 HD1 PHE 81 2HD PHE 81 2.891 -8.415 3.032 626 HD2 PHE 81 1HD PHE 81 0.713 -12.050 3.832 627 HE1 PHE 81 2HE PHE 81 3.446 -9.255 0.770 628 HE2 PHE 81 1HE PHE 81 1.243 -12.862 1.551 629 HZ PHE 81 HZ PHE 81 2.634 -11.476 0.021 630 H GLU 82 H GLU 82 2.289 -7.373 6.684 631 HA GLU 82 HA GLU 82 4.959 -6.611 5.692 632 HB2 GLU 82 1HB GLU 82 3.900 -4.296 6.556 633 HB3 GLU 82 2HB GLU 82 3.970 -4.839 4.918 634 HG2 GLU 82 1HG GLU 82 1.555 -5.463 6.655 635 HG3 GLU 82 2HG GLU 82 1.828 -3.846 6.154 636 H ASP 83 H ASP 83 4.013 -7.965 8.354 637 HA ASP 83 HA ASP 83 5.173 -8.384 10.322 638 HB2 ASP 83 1HB ASP 83 7.449 -6.907 8.925 639 HB3 ASP 83 2HB ASP 83 7.595 -7.842 10.405 640 H CYS 84 H CYS 84 3.452 -6.283 10.369 641 HA CYS 84 HA CYS 84 4.630 -3.924 11.689 642 HB2 CYS 84 1HB CYS 84 1.724 -4.688 11.391 643 HB3 CYS 84 2HB CYS 84 2.384 -3.063 11.590 644 HG CYS 84 HG CYS 84 2.654 -5.228 9.090 645 HA PRO 85 HA PRO 85 3.472 -2.382 13.381 646 HB2 PRO 85 1HB PRO 85 4.108 -1.592 15.892 647 HB3 PRO 85 2HB PRO 85 2.444 -1.983 15.369 648 HG2 PRO 85 1HG PRO 85 4.404 -3.749 16.859 649 HG3 PRO 85 2HG PRO 85 2.662 -3.484 17.206 650 HD2 PRO 85 1HD PRO 85 3.600 -5.652 15.799 651 HD3 PRO 85 2HD PRO 85 2.016 -4.901 15.448 652 H SER 86 H SER 86 5.852 -4.745 14.018 653 HA SER 86 HA SER 86 8.142 -3.375 14.699 654 HB2 SER 86 1HB SER 86 8.784 -5.446 12.810 655 HB3 SER 86 2HB SER 86 8.966 -5.413 14.564 656 HG SER 86 HG SER 86 6.832 -6.318 12.956 657 H MET 87 H MET 87 7.305 -4.250 11.255 658 HA MET 87 HA MET 87 9.304 -2.299 10.364 659 HB2 MET 87 1HB MET 87 7.434 -4.104 8.829 660 HB3 MET 87 2HB MET 87 8.651 -3.068 8.108 661 HG2 MET 87 1HG MET 87 10.266 -4.329 9.737 662 HG3 MET 87 2HG MET 87 9.037 -5.577 9.667 663 HE1 MET 87 3HE MET 87 8.175 -6.482 6.946 664 HE2 MET 87 1HE MET 87 8.020 -4.754 6.586 665 HE3 MET 87 2HE MET 87 8.991 -5.772 5.526 666 H TYR 88 H TYR 88 5.743 -2.725 9.667 667 HA TYR 88 HA TYR 88 5.701 0.187 9.019 668 HB2 TYR 88 1HB TYR 88 3.962 -2.066 8.011 669 HB3 TYR 88 2HB TYR 88 3.619 -0.391 7.763 670 HD1 TYR 88 2HD TYR 88 6.027 -3.118 7.057 671 HD2 TYR 88 1HD TYR 88 4.723 0.844 5.959 672 HE1 TYR 88 2HE TYR 88 7.406 -3.218 4.990 673 HE2 TYR 88 1HE TYR 88 6.097 0.777 3.890 674 HH TYR 88 HH TYR 88 7.488 -0.658 2.520 675 H GLN 89 H GLN 89 3.405 1.105 9.576 676 HA GLN 89 HA GLN 89 2.221 -0.083 11.996 677 HB2 GLN 89 1HB GLN 89 3.689 2.577 11.896 678 HB3 GLN 89 2HB GLN 89 2.155 2.507 12.729 679 HG2 GLN 89 1HG GLN 89 3.309 1.954 14.509 680 HG3 GLN 89 2HG GLN 89 3.331 0.312 13.868 681 HE21 GLN 89 1HE2 GLN 89 5.462 0.388 12.074 682 HE22 GLN 89 2HE2 GLN 89 6.878 0.652 13.000 683 H ARG 90 H ARG 90 0.036 0.312 12.090 684 HA ARG 90 HA ARG 90 -1.166 0.936 9.487 685 HB2 ARG 90 1HB ARG 90 -1.940 -0.980 10.839 686 HB3 ARG 90 2HB ARG 90 -2.392 0.066 12.148 687 HG2 ARG 90 1HG ARG 90 -3.563 0.649 9.421 688 HG3 ARG 90 2HG ARG 90 -4.094 -0.843 10.182 689 HD2 ARG 90 1HD ARG 90 -4.403 1.980 11.255 690 HD3 ARG 90 2HD ARG 90 -5.666 0.891 10.643 691 HE ARG 90 HE ARG 90 -4.479 -0.538 12.690 692 HH11 ARG 90 1HH1 ARG 90 -6.398 2.370 12.288 693 HH12 ARG 90 2HH1 ARG 90 -6.905 2.481 13.944 694 HH21 ARG 90 1HH2 ARG 90 -5.113 -0.404 14.949 695 HH22 ARG 90 2HH2 ARG 90 -6.059 0.918 15.507 696 H THR 91 H THR 91 -1.829 2.979 8.959 697 HA THR 91 HA THR 91 -2.590 4.840 11.151 698 HB THR 91 HB THR 91 -1.376 5.546 8.435 699 HG1 THR 91 1HG THR 91 0.300 5.616 10.624 700 HG21 THR 91 3HG2 THR 91 -2.263 7.498 9.603 701 HG22 THR 91 1HG2 THR 91 -0.530 7.516 9.696 702 HG23 THR 91 2HG2 THR 91 -1.436 7.021 11.125 703 H ALA 92 H ALA 92 -4.088 6.568 10.402 704 HA ALA 92 HA ALA 92 -6.098 5.593 8.416 705 HB1 ALA 92 1HB ALA 92 -7.073 6.009 10.617 706 HB2 ALA 92 2HB ALA 92 -6.275 7.603 10.700 707 HB3 ALA 92 3HB ALA 92 -7.536 7.286 9.477 708 H LEU 93 H LEU 93 -6.482 6.903 6.624 709 HA LEU 93 HA LEU 93 -5.298 9.566 6.460 710 HB2 LEU 93 1HB LEU 93 -3.767 9.142 4.746 711 HB3 LEU 93 2HB LEU 93 -3.473 7.936 5.941 712 HG LEU 93 HG LEU 93 -3.243 6.775 3.936 713 HD11 LEU 93 1HD1 LEU 93 -4.703 5.419 5.290 714 HD12 LEU 93 2HD1 LEU 93 -5.120 5.262 3.571 715 HD13 LEU 93 3HD1 LEU 93 -6.133 6.222 4.629 716 HD21 LEU 93 3HD2 LEU 93 -4.007 8.612 2.532 717 HD22 LEU 93 1HD2 LEU 93 -5.654 8.038 2.733 718 HD23 LEU 93 2HD2 LEU 93 -4.446 6.985 1.991 719 H GLN 94 H GLN 94 -5.690 10.432 4.156 720 HA GLN 94 HA GLN 94 -8.586 10.046 3.581 721 HB2 GLN 94 1HB GLN 94 -7.842 12.309 4.238 722 HB3 GLN 94 2HB GLN 94 -6.667 12.310 2.931 723 HG2 GLN 94 1HG GLN 94 -8.335 13.592 2.043 724 HG3 GLN 94 2HG GLN 94 -8.718 12.038 1.336 725 HE21 GLN 94 1HE2 GLN 94 -10.539 10.678 2.838 726 HE22 GLN 94 2HE2 GLN 94 -11.831 11.775 3.218 727 H VAL 95 H VAL 95 -9.121 8.891 1.776 728 HA VAL 95 HA VAL 95 -7.234 8.838 -0.538 729 HB VAL 95 HB VAL 95 -9.040 6.657 0.562 730 HG11 VAL 95 1HG1 VAL 95 -7.278 6.532 -1.923 731 HG12 VAL 95 2HG1 VAL 95 -8.168 5.183 -1.187 732 HG13 VAL 95 3HG1 VAL 95 -9.062 6.517 -1.890 733 HG21 VAL 95 3HG2 VAL 95 -6.030 7.068 0.428 734 HG22 VAL 95 1HG2 VAL 95 -7.037 6.710 1.847 735 HG23 VAL 95 2HG2 VAL 95 -6.715 5.468 0.651 736 H GLN 96 H GLN 96 -8.120 9.349 -2.501 737 HA GLN 96 HA GLN 96 -10.772 10.589 -2.635 738 HB2 GLN 96 1HB GLN 96 -8.850 11.405 -3.859 739 HB3 GLN 96 2HB GLN 96 -8.625 9.845 -4.673 740 HG2 GLN 96 1HG GLN 96 -10.763 10.163 -5.857 741 HG3 GLN 96 2HG GLN 96 -11.039 11.668 -4.971 742 HE21 GLN 96 1HE2 GLN 96 -11.203 12.709 -7.023 743 HE22 GLN 96 2HE2 GLN 96 -9.707 13.329 -7.767 744 H VAL 97 H VAL 97 -12.580 9.798 -3.742 745 HA VAL 97 HA VAL 97 -12.697 6.928 -4.416 746 HB VAL 97 HB VAL 97 -14.883 9.074 -4.443 747 HG11 VAL 97 1HG1 VAL 97 -14.996 6.028 -4.541 748 HG12 VAL 97 2HG1 VAL 97 -16.404 7.137 -4.481 749 HG13 VAL 97 3HG1 VAL 97 -15.350 7.099 -5.901 750 HG21 VAL 97 3HG2 VAL 97 -13.852 7.141 -2.368 751 HG22 VAL 97 1HG2 VAL 97 -14.252 8.833 -2.170 752 HG23 VAL 97 2HG2 VAL 97 -15.564 7.687 -2.330 753 H LEU 98 H LEU 98 -11.530 6.712 -6.194 754 HA LEU 98 HA LEU 98 -11.711 8.496 -8.542 755 HB2 LEU 98 1HB LEU 98 -9.866 6.537 -7.542 756 HB3 LEU 98 2HB LEU 98 -10.527 5.860 -8.982 757 HG LEU 98 HG LEU 98 -9.849 8.078 -10.153 758 HD11 LEU 98 1HD1 LEU 98 -9.502 9.467 -8.147 759 HD12 LEU 98 2HD1 LEU 98 -7.909 9.194 -8.914 760 HD13 LEU 98 3HD1 LEU 98 -8.354 8.289 -7.480 761 HD21 LEU 98 3HD2 LEU 98 -8.615 5.939 -10.383 762 HD22 LEU 98 1HD2 LEU 98 -7.765 6.284 -8.846 763 HD23 LEU 98 2HD2 LEU 98 -7.484 7.292 -10.290 764 H GLU 99 H GLU 99 -13.202 5.554 -7.245 765 HA GLU 99 HA GLU 99 -15.345 5.581 -9.125 766 HB2 GLU 99 1HB GLU 99 -13.339 4.159 -10.193 767 HB3 GLU 99 2HB GLU 99 -13.694 3.017 -8.921 768 HG2 GLU 99 1HG GLU 99 -15.016 2.109 -10.464 769 HG3 GLU 99 2HG GLU 99 -16.199 3.282 -9.909 770 H TRP 100 H TRP 100 -17.005 4.131 -8.152 771 HA TRP 100 HA TRP 100 -16.365 2.655 -5.695 772 HB2 TRP 100 1HB TRP 100 -17.026 4.881 -4.863 773 HB3 TRP 100 2HB TRP 100 -18.535 4.792 -5.746 774 HD1 TRP 100 HD TRP 100 -20.517 3.600 -4.369 775 HE1 TRP 100 1HE TRP 100 -20.699 2.256 -2.287 776 HE3 TRP 100 3HE TRP 100 -15.530 3.159 -3.243 777 HZ2 TRP 100 2HZ TRP 100 -18.966 1.387 -0.148 778 HZ3 TRP 100 3HZ TRP 100 -14.875 2.402 -0.950 779 HH2 TRP 100 HH TRP 100 -16.558 1.372 0.552 780 H GLU 101 H GLU 101 -17.228 0.732 -6.155 781 HA GLU 101 HA GLU 101 -19.637 0.531 -7.919 782 HB2 GLU 101 1HB GLU 101 -17.458 -1.477 -7.161 783 HB3 GLU 101 2HB GLU 101 -18.867 -1.937 -8.056 784 HG2 GLU 101 1HG GLU 101 -16.558 -0.290 -8.962 785 HG3 GLU 101 2HG GLU 101 -17.258 -1.704 -9.702 786 H GLY 102 H GLY 102 -21.218 0.993 -6.277 787 HA2 GLY 102 2HA GLY 102 -22.824 -0.824 -5.472 788 HA3 GLY 102 1HA GLY 102 -21.573 -1.200 -4.278 789 H ASP 103 H ASP 103 -23.760 -0.753 -3.129 790 HA ASP 103 HA ASP 103 -24.323 2.034 -2.520 791 HB2 ASP 103 1HB ASP 103 -25.832 -0.021 -2.168 792 HB3 ASP 103 2HB ASP 103 -24.825 -0.354 -0.742 793 H GLY 104 H GLY 104 -23.821 2.988 -0.486 794 HA2 GLY 104 2HA GLY 104 -22.555 3.274 1.509 795 HA3 GLY 104 1HA GLY 104 -21.421 2.007 0.984 796 H ASP 105 H ASP 105 -22.692 4.953 -0.498 797 HA ASP 105 HA ASP 105 -20.184 5.816 -1.502 798 HB2 ASP 105 1HB ASP 105 -21.902 5.999 -3.080 799 HB3 ASP 105 2HB ASP 105 -23.021 6.751 -1.952 800 HA PRO 106 HA PRO 106 -20.111 8.288 2.398 801 HB2 PRO 106 1HB PRO 106 -17.406 8.601 2.518 802 HB3 PRO 106 2HB PRO 106 -18.203 7.032 2.848 803 HG2 PRO 106 1HG PRO 106 -16.882 8.010 0.315 804 HG3 PRO 106 2HG PRO 106 -16.761 6.387 1.117 805 HD2 PRO 106 1HD PRO 106 -18.393 7.115 -1.026 806 HD3 PRO 106 2HD PRO 106 -18.567 5.671 -0.018 807 H GLY 107 H GLY 107 -18.938 9.110 -0.895 808 HA2 GLY 107 2HA GLY 107 -19.420 11.481 -1.636 809 HA3 GLY 107 1HA GLY 107 -18.543 11.966 -0.174 810 H ASP 108 H ASP 108 -17.158 12.961 -2.002 811 HA ASP 108 HA ASP 108 -15.861 11.309 -3.886 812 HB2 ASP 108 1HB ASP 108 -14.540 13.870 -3.033 813 HB3 ASP 108 2HB ASP 108 -14.738 13.183 -4.645 814 H SER 109 H SER 109 -15.142 11.442 -0.536 815 HA SER 109 HA SER 109 -12.619 10.119 -1.036 816 HB2 SER 109 1HB SER 109 -11.396 11.632 0.483 817 HB3 SER 109 2HB SER 109 -11.974 12.418 -0.995 818 HG SER 109 HG SER 109 -12.385 13.794 0.618 819 H VAL 110 H VAL 110 -11.794 9.056 0.846 820 HA VAL 110 HA VAL 110 -13.767 8.531 2.991 821 HB VAL 110 HB VAL 110 -13.754 6.196 2.558 822 HG11 VAL 110 1HG1 VAL 110 -13.680 7.246 -0.212 823 HG12 VAL 110 2HG1 VAL 110 -14.682 5.970 0.532 824 HG13 VAL 110 3HG1 VAL 110 -14.925 7.681 0.961 825 HG21 VAL 110 3HG2 VAL 110 -12.328 5.103 0.863 826 HG22 VAL 110 1HG2 VAL 110 -11.487 6.643 0.551 827 HG23 VAL 110 2HG2 VAL 110 -11.341 5.821 2.142 828 H GLN 111 H GLN 111 -12.703 7.029 4.634 829 HA GLN 111 HA GLN 111 -9.955 8.033 5.168 830 HB2 GLN 111 1HB GLN 111 -11.619 8.929 6.720 831 HB3 GLN 111 2HB GLN 111 -12.002 7.288 7.263 832 HG2 GLN 111 1HG GLN 111 -9.095 8.025 7.303 833 HG3 GLN 111 2HG GLN 111 -10.120 8.980 8.356 834 HE21 GLN 111 1HE2 GLN 111 -9.381 5.471 7.623 835 HE22 GLN 111 2HE2 GLN 111 -9.753 4.952 9.233 836 H CYS 112 H CYS 112 -8.798 6.434 4.281 837 HA CYS 112 HA CYS 112 -9.614 3.582 4.562 838 HB2 CYS 112 1HB CYS 112 -7.294 4.947 3.140 839 HB3 CYS 112 2HB CYS 112 -7.472 3.196 3.221 840 HG CYS 112 HG CYS 112 -8.250 4.273 0.870 841 H PHE 113 H PHE 113 -7.640 2.122 5.089 842 HA PHE 113 HA PHE 113 -5.867 3.282 7.123 843 HB2 PHE 113 1HB PHE 113 -6.788 0.393 6.816 844 HB3 PHE 113 2HB PHE 113 -5.553 0.912 7.919 845 HD1 PHE 113 1HD PHE 113 -6.393 3.165 9.371 846 HD2 PHE 113 2HD PHE 113 -8.864 -0.025 7.864 847 HE1 PHE 113 1HE PHE 113 -8.241 3.892 10.868 848 HE2 PHE 113 2HE PHE 113 -10.721 0.737 9.310 849 HZ PHE 113 HZ PHE 113 -10.436 2.713 10.784 850 H VAL 114 H VAL 114 -3.686 2.858 6.785 851 HA VAL 114 HA VAL 114 -2.738 1.422 4.431 852 HB VAL 114 HB VAL 114 -2.274 4.389 4.981 853 HG11 VAL 114 1HG1 VAL 114 -0.443 4.397 3.295 854 HG12 VAL 114 2HG1 VAL 114 0.002 3.467 4.735 855 HG13 VAL 114 3HG1 VAL 114 -0.459 2.623 3.269 856 HG21 VAL 114 3HG2 VAL 114 -3.987 3.516 3.228 857 HG22 VAL 114 1HG2 VAL 114 -2.826 4.719 2.689 858 HG23 VAL 114 2HG2 VAL 114 -2.608 2.992 2.276 859 H TYR 115 H TYR 115 -0.734 0.485 4.872 860 HA TYR 115 HA TYR 115 0.298 0.713 7.620 861 HB2 TYR 115 1HB TYR 115 0.629 -1.256 5.363 862 HB3 TYR 115 2HB TYR 115 1.910 -1.082 6.541 863 HD1 TYR 115 2HD TYR 115 1.335 -1.121 9.017 864 HD2 TYR 115 1HD TYR 115 -1.273 -2.696 5.987 865 HE1 TYR 115 2HE TYR 115 0.100 -2.352 10.758 866 HE2 TYR 115 1HE TYR 115 -2.577 -3.876 7.739 867 HH TYR 115 HH TYR 115 -1.503 -4.221 10.967 868 H THR 116 H THR 116 1.459 2.462 7.948 869 HA THR 116 HA THR 116 3.153 3.629 5.820 870 HB THR 116 HB THR 116 2.997 5.670 7.016 871 HG1 THR 116 1HG THR 116 1.436 4.685 9.096 872 HG21 THR 116 3HG2 THR 116 0.217 4.419 7.117 873 HG22 THR 116 1HG2 THR 116 0.959 5.229 5.727 874 HG23 THR 116 2HG2 THR 116 0.585 6.141 7.202 875 H THR 117 H THR 117 5.060 4.947 7.446 876 HA THR 117 HA THR 117 5.532 3.477 9.760 877 HB THR 117 HB THR 117 6.751 1.979 8.206 878 HG1 THR 117 1HG THR 117 8.072 1.637 9.698 879 HG21 THR 117 3HG2 THR 117 7.507 3.463 6.486 880 HG22 THR 117 1HG2 THR 117 8.935 2.723 7.241 881 HG23 THR 117 2HG2 THR 117 8.455 4.407 7.617 882 H ALA 118 H ALA 118 6.753 4.715 11.185 883 HA ALA 118 HA ALA 118 7.348 7.530 10.460 884 HB1 ALA 118 1HB ALA 118 6.816 8.010 12.813 885 HB2 ALA 118 2HB ALA 118 5.437 7.321 11.944 886 HB3 ALA 118 3HB ALA 118 6.404 6.306 13.061 887 H THR 119 H THR 119 8.680 4.492 11.492 888 HA THR 119 HA THR 119 10.738 5.587 13.185 889 HB THR 119 HB THR 119 11.297 3.017 13.242 890 HG1 THR 119 1HG THR 119 10.249 2.274 11.454 891 HG21 THR 119 3HG2 THR 119 9.114 2.549 14.505 892 HG22 THR 119 1HG2 THR 119 8.627 4.203 14.118 893 HG23 THR 119 2HG2 THR 119 10.094 3.928 15.070 894 H TYR 120 H TYR 120 10.729 6.004 10.100 895 HA TYR 120 HA TYR 120 12.890 4.467 9.076 896 HB2 TYR 120 1HB TYR 120 12.617 6.079 7.120 897 HB3 TYR 120 2HB TYR 120 11.195 5.172 7.592 898 HD1 TYR 120 2HD TYR 120 12.799 8.525 7.620 899 HD2 TYR 120 1HD TYR 120 9.257 6.290 8.636 900 HE1 TYR 120 2HE TYR 120 11.512 10.641 7.910 901 HE2 TYR 120 1HE TYR 120 7.935 8.403 8.678 902 HH TYR 120 HH TYR 120 9.457 11.593 8.298 903 H ALA 121 H ALA 121 14.776 5.468 7.956 904 HA ALA 121 HA ALA 121 16.319 7.053 9.906 905 HB1 ALA 121 1HB ALA 121 17.133 4.861 9.187 906 HB2 ALA 121 2HB ALA 121 17.120 5.367 7.483 907 HB3 ALA 121 3HB ALA 121 18.237 6.115 8.643 908 HA PRO 122 HA PRO 122 16.162 10.713 7.551 909 HB2 PRO 122 1HB PRO 122 18.702 11.785 7.644 910 HB3 PRO 122 2HB PRO 122 17.529 11.772 8.995 911 HG2 PRO 122 1HG PRO 122 19.774 9.821 8.471 912 HG3 PRO 122 2HG PRO 122 19.370 10.627 10.003 913 HD2 PRO 122 1HD PRO 122 18.544 8.113 9.515 914 HD3 PRO 122 2HD PRO 122 17.428 9.260 10.313 915 H GLU 123 H GLU 123 18.658 8.454 6.531 916 HA GLU 123 HA GLU 123 19.406 9.530 4.066 917 HB2 GLU 123 1HB GLU 123 19.365 6.939 3.371 918 HB3 GLU 123 2HB GLU 123 20.659 7.690 4.279 919 HG2 GLU 123 1HG GLU 123 18.356 6.368 5.738 920 HG3 GLU 123 2HG GLU 123 19.651 5.391 5.020 921 H TRP 124 H TRP 124 16.458 7.739 4.795 922 HA TRP 124 HA TRP 124 15.725 7.441 2.051 923 HB2 TRP 124 1HB TRP 124 14.113 7.212 4.608 924 HB3 TRP 124 2HB TRP 124 13.584 6.670 3.024 925 HD1 TRP 124 HD TRP 124 17.084 5.716 3.022 926 HE1 TRP 124 1HE TRP 124 17.436 3.324 3.602 927 HE3 TRP 124 3HE TRP 124 12.473 4.770 5.021 928 HZ2 TRP 124 2HZ TRP 124 15.898 1.144 4.907 929 HZ3 TRP 124 3HZ TRP 124 11.912 2.491 5.830 930 HH2 TRP 124 HH TRP 124 13.636 0.688 5.827 931 H LEU 125 H LEU 125 15.579 10.177 4.132 932 HA LEU 125 HA LEU 125 13.310 11.443 2.794 933 HB2 LEU 125 1HB LEU 125 15.300 12.502 4.807 934 HB3 LEU 125 2HB LEU 125 13.966 13.422 4.139 935 HG LEU 125 HG LEU 125 13.448 12.695 6.328 936 HD11 LEU 125 1HD1 LEU 125 11.215 11.804 5.932 937 HD12 LEU 125 2HD1 LEU 125 11.680 11.240 4.318 938 HD13 LEU 125 3HD1 LEU 125 11.655 12.990 4.690 939 HD21 LEU 125 3HD2 LEU 125 14.760 10.428 5.961 940 HD22 LEU 125 1HD2 LEU 125 13.150 9.804 5.614 941 HD23 LEU 125 2HD2 LEU 125 13.529 10.601 7.175 942 H PHE 126 H PHE 126 16.647 11.070 2.092 943 HA PHE 126 HA PHE 126 16.732 13.524 0.403 944 HB2 PHE 126 1HB PHE 126 18.898 11.455 0.634 945 HB3 PHE 126 2HB PHE 126 19.032 13.136 0.153 946 HD1 PHE 126 1HD PHE 126 18.143 14.842 2.171 947 HD2 PHE 126 2HD PHE 126 19.879 10.950 2.634 948 HE1 PHE 126 1HE PHE 126 18.703 15.381 4.526 949 HE2 PHE 126 2HE PHE 126 20.369 11.444 5.038 950 HZ PHE 126 HZ PHE 126 19.789 13.660 5.980 951 H LEU 127 H LEU 127 15.906 10.175 0.158 952 HA LEU 127 HA LEU 127 16.639 9.704 -2.603 953 HB2 LEU 127 1HB LEU 127 14.451 8.427 -0.910 954 HB3 LEU 127 2HB LEU 127 15.040 7.798 -2.433 955 HG LEU 127 HG LEU 127 16.679 8.008 0.125 956 HD11 LEU 127 1HD1 LEU 127 14.925 6.250 0.165 957 HD12 LEU 127 2HD1 LEU 127 16.556 5.560 0.151 958 HD13 LEU 127 3HD1 LEU 127 15.576 5.574 -1.338 959 HD21 LEU 127 3HD2 LEU 127 18.379 6.664 -1.072 960 HD22 LEU 127 1HD2 LEU 127 18.184 8.259 -1.786 961 HD23 LEU 127 2HD2 LEU 127 17.457 6.842 -2.581 962 HA PRO 128 HA PRO 128 13.052 11.804 -4.346 963 HB2 PRO 128 1HB PRO 128 12.773 10.666 -6.798 964 HB3 PRO 128 2HB PRO 128 14.211 11.645 -6.365 965 HG2 PRO 128 1HG PRO 128 13.949 8.636 -6.371 966 HG3 PRO 128 2HG PRO 128 15.242 9.656 -7.062 967 HD2 PRO 128 1HD PRO 128 15.431 8.476 -4.565 968 HD3 PRO 128 2HD PRO 128 16.230 10.011 -4.977 969 H TYR 129 H TYR 129 10.892 11.511 -4.800 970 HA TYR 129 HA TYR 129 9.623 9.156 -3.626 971 HB2 TYR 129 1HB TYR 129 8.538 11.820 -4.579 972 HB3 TYR 129 2HB TYR 129 7.584 10.602 -3.732 973 HD1 TYR 129 1HD TYR 129 8.920 9.720 -1.527 974 HD2 TYR 129 2HD TYR 129 9.255 13.647 -3.228 975 HE1 TYR 129 1HE TYR 129 9.928 10.567 0.576 976 HE2 TYR 129 2HE TYR 129 10.123 14.537 -1.098 977 HH TYR 129 HH TYR 129 11.488 12.385 1.015 978 H HIS 130 H HIS 130 7.372 8.676 -4.798 979 HA HIS 130 HA HIS 130 7.647 8.415 -7.735 980 HB2 HIS 130 1HB HIS 130 7.232 6.104 -5.773 981 HB3 HIS 130 2HB HIS 130 7.042 5.984 -7.520 982 HD1 HIS 130 1HD HIS 130 9.225 5.324 -8.835 983 HD2 HIS 130 2HD HIS 130 9.857 6.652 -4.877 984 HE1 HIS 130 1HE HIS 130 11.692 5.011 -8.341 985 H GLU 131 H GLU 131 5.462 7.809 -8.668 986 HA GLU 131 HA GLU 131 3.259 8.737 -6.874 987 HB2 GLU 131 1HB GLU 131 4.141 9.594 -9.425 988 HB3 GLU 131 2HB GLU 131 2.595 8.796 -9.703 989 HG2 GLU 131 1HG GLU 131 1.521 10.157 -7.973 990 HG3 GLU 131 2HG GLU 131 3.061 10.888 -7.565 991 H SER 132 H SER 132 4.454 5.921 -8.041 992 HA SER 132 HA SER 132 2.112 4.360 -7.444 993 HB2 SER 132 1HB SER 132 1.321 4.803 -9.620 994 HB3 SER 132 2HB SER 132 2.929 5.032 -10.273 995 HG SER 132 HG SER 132 1.728 2.539 -9.635 996 H TYR 133 H TYR 133 2.671 2.215 -7.226 997 HA TYR 133 HA TYR 133 5.545 1.572 -7.527 998 HB2 TYR 133 1HB TYR 133 4.696 1.422 -5.224 999 HB3 TYR 133 2HB TYR 133 3.467 0.326 -5.764 1000 HD1 TYR 133 2HD TYR 133 6.977 0.168 -7.068 1001 HD2 TYR 133 1HD TYR 133 4.113 -1.565 -4.326 1002 HE1 TYR 133 2HE TYR 133 8.463 -1.696 -6.728 1003 HE2 TYR 133 1HE TYR 133 5.735 -3.410 -3.870 1004 HH TYR 133 HH TYR 133 9.051 -3.179 -4.868 1005 H ASP 134 H ASP 134 5.908 0.551 -9.343 1006 HA ASP 134 HA ASP 134 4.052 -1.408 -10.502 1007 HB2 ASP 134 1HB ASP 134 4.532 -0.280 -12.678 1008 HB3 ASP 134 2HB ASP 134 3.538 0.647 -11.571 1009 H SER 135 H SER 135 5.139 -3.289 -11.007 1010 HA SER 135 HA SER 135 8.010 -3.397 -10.939 1011 HB2 SER 135 1HB SER 135 7.608 -5.690 -11.980 1012 HB3 SER 135 2HB SER 135 6.857 -5.426 -10.403 1013 HG SER 135 HG SER 135 5.618 -6.316 -12.478 1014 H GLU 136 H GLU 136 5.497 -3.444 -13.441 1015 HA GLU 136 HA GLU 136 7.242 -2.946 -15.722 1016 HB2 GLU 136 1HB GLU 136 4.238 -2.637 -15.390 1017 HB3 GLU 136 2HB GLU 136 5.126 -2.671 -16.925 1018 HG2 GLU 136 1HG GLU 136 5.806 -5.031 -16.426 1019 HG3 GLU 136 2HG GLU 136 4.730 -4.984 -15.011 1020 H GLY 137 H GLY 137 7.884 -1.093 -13.752 1021 HA2 GLY 137 2HA GLY 137 7.037 1.468 -15.027 1022 HA3 GLY 137 1HA GLY 137 7.573 1.360 -13.340 1023 HA PRO 138 HA PRO 138 11.070 1.700 -16.559 1024 HB2 PRO 138 1HB PRO 138 11.926 4.299 -16.123 1025 HB3 PRO 138 2HB PRO 138 10.712 3.810 -17.337 1026 HG2 PRO 138 1HG PRO 138 10.229 4.882 -14.541 1027 HG3 PRO 138 2HG PRO 138 9.440 5.378 -16.072 1028 HD2 PRO 138 1HD PRO 138 8.249 3.637 -14.369 1029 HD3 PRO 138 2HD PRO 138 8.134 3.402 -16.137 1030 H HIS 139 H HIS 139 10.716 2.246 -13.149 1031 HA HIS 139 HA HIS 139 13.149 3.122 -12.456 1032 HB2 HIS 139 1HB HIS 139 11.540 1.323 -10.644 1033 HB3 HIS 139 2HB HIS 139 12.635 2.615 -10.206 1034 HD1 HIS 139 1HD HIS 139 11.830 5.189 -11.313 1035 HD2 HIS 139 2HD HIS 139 9.020 2.105 -10.653 1036 HE1 HIS 139 1HE HIS 139 9.549 6.309 -11.185 1037 H GLY 140 H GLY 140 12.807 -0.111 -13.515 1038 HA2 GLY 140 2HA GLY 140 14.449 -1.689 -13.852 1039 HA3 GLY 140 1HA GLY 140 15.602 -0.541 -13.197 1040 H LEU 141 H LEU 141 14.368 -0.416 -10.534 1041 HA LEU 141 HA LEU 141 15.324 -2.968 -9.395 1042 HB2 LEU 141 1HB LEU 141 14.844 -1.468 -7.204 1043 HB3 LEU 141 2HB LEU 141 16.340 -1.397 -8.113 1044 HG LEU 141 HG LEU 141 15.579 0.680 -9.198 1045 HD11 LEU 141 1HD1 LEU 141 13.153 0.467 -9.165 1046 HD12 LEU 141 2HD1 LEU 141 13.631 1.911 -8.256 1047 HD13 LEU 141 3HD1 LEU 141 13.155 0.422 -7.411 1048 HD21 LEU 141 3HD2 LEU 141 16.851 0.682 -7.062 1049 HD22 LEU 141 1HD2 LEU 141 15.331 0.725 -6.159 1050 HD23 LEU 141 2HD2 LEU 141 15.802 2.094 -7.203 1051 H ARG 142 H ARG 142 13.717 -4.541 -9.507 1052 HA ARG 142 HA ARG 142 10.990 -3.721 -8.675 1053 HB2 ARG 142 1HB ARG 142 12.120 -5.989 -10.298 1054 HB3 ARG 142 2HB ARG 142 10.450 -5.931 -9.788 1055 HG2 ARG 142 1HG ARG 142 11.005 -5.162 -12.053 1056 HG3 ARG 142 2HG ARG 142 9.913 -4.125 -11.156 1057 HD2 ARG 142 1HD ARG 142 11.765 -2.527 -10.872 1058 HD3 ARG 142 2HD ARG 142 12.848 -3.646 -11.707 1059 HE ARG 142 HE ARG 142 10.752 -1.874 -12.786 1060 HH11 ARG 142 1HH1 ARG 142 13.190 -4.374 -13.707 1061 HH12 ARG 142 2HH1 ARG 142 12.898 -4.151 -15.385 1062 HH21 ARG 142 1HH2 ARG 142 10.451 -1.620 -14.969 1063 HH22 ARG 142 2HH2 ARG 142 11.285 -2.569 -16.142 1064 H TYR 143 H TYR 143 9.764 -5.343 -7.387 1065 HA TYR 143 HA TYR 143 11.068 -5.869 -4.940 1066 HB2 TYR 143 1HB TYR 143 8.533 -5.837 -5.227 1067 HB3 TYR 143 2HB TYR 143 8.641 -7.388 -5.969 1068 HD1 TYR 143 2HD TYR 143 10.333 -5.956 -2.846 1069 HD2 TYR 143 1HD TYR 143 7.620 -8.885 -4.518 1070 HE1 TYR 143 2HE TYR 143 10.341 -7.169 -0.739 1071 HE2 TYR 143 1HE TYR 143 7.424 -9.963 -2.314 1072 HH TYR 143 HH TYR 143 9.680 -9.119 0.313 1073 H ASN 144 H ASN 144 11.974 -7.696 -3.983 1074 HA ASN 144 HA ASN 144 12.607 -10.020 -5.741 1075 HB2 ASN 144 1HB ASN 144 14.602 -8.789 -5.404 1076 HB3 ASN 144 2HB ASN 144 14.313 -8.638 -3.670 1077 HD21 ASN 144 1HD2 ASN 144 16.597 -9.505 -3.864 1078 HD22 ASN 144 2HD2 ASN 144 16.833 -11.247 -3.769 1079 HA PRO 145 HA PRO 145 10.192 -11.595 -2.137 1080 HB2 PRO 145 1HB PRO 145 8.639 -13.366 -3.505 1081 HB3 PRO 145 2HB PRO 145 8.272 -11.612 -3.401 1082 HG2 PRO 145 1HG PRO 145 9.654 -13.036 -5.687 1083 HG3 PRO 145 2HG PRO 145 8.269 -11.919 -5.759 1084 HD2 PRO 145 1HD PRO 145 10.850 -11.129 -6.155 1085 HD3 PRO 145 2HD PRO 145 9.667 -10.066 -5.341 1086 H ARG 146 H ARG 146 11.398 -13.417 -4.986 1087 HA ARG 146 HA ARG 146 13.180 -15.097 -3.396 1088 HB2 ARG 146 1HB ARG 146 10.645 -16.018 -3.480 1089 HB3 ARG 146 2HB ARG 146 11.066 -16.388 -5.144 1090 HG2 ARG 146 1HG ARG 146 13.243 -17.496 -3.851 1091 HG3 ARG 146 2HG ARG 146 12.024 -17.531 -2.581 1092 HD2 ARG 146 1HD ARG 146 10.464 -18.506 -4.482 1093 HD3 ARG 146 2HD ARG 146 11.992 -18.815 -5.345 1094 HE ARG 146 HE ARG 146 12.530 -19.961 -3.013 1095 HH11 ARG 146 1HH1 ARG 146 9.832 -20.410 -5.193 1096 HH12 ARG 146 2HH1 ARG 146 9.162 -21.788 -4.372 1097 HH21 ARG 146 1HH2 ARG 146 11.788 -21.869 -1.964 1098 HH22 ARG 146 2HH2 ARG 146 10.335 -22.665 -2.451 1099 H GLU 147 H GLU 147 13.141 -13.159 -5.864 1100 HA GLU 147 HA GLU 147 13.082 -14.743 -8.136 1101 HB2 GLU 147 1HB GLU 147 13.505 -12.984 -9.392 1102 HB3 GLU 147 2HB GLU 147 12.557 -12.351 -8.031 1103 HG2 GLU 147 1HG GLU 147 14.649 -11.861 -6.950 1104 HG3 GLU 147 2HG GLU 147 15.590 -12.193 -8.399 1105 H ASN 148 H ASN 148 15.469 -14.435 -5.971 1106 HA ASN 148 HA ASN 148 17.613 -15.691 -7.589 1107 HB2 ASN 148 1HB ASN 148 17.588 -13.037 -6.301 1108 HB3 ASN 148 2HB ASN 148 18.818 -14.037 -5.567 1109 HD21 ASN 148 1HD2 ASN 148 17.642 -13.843 -9.011 1110 HD22 ASN 148 2HD2 ASN 148 19.235 -13.434 -9.627 1111 H ARG 149 H ARG 149 15.485 -16.805 -5.591 1112 HA ARG 149 HA ARG 149 17.294 -18.079 -3.701 1113 HB2 ARG 149 1HB ARG 149 16.629 -15.841 -2.749 1114 HB3 ARG 149 2HB ARG 149 14.965 -16.390 -2.704 1115 HG2 ARG 149 1HG ARG 149 17.112 -18.040 -1.366 1116 HG3 ARG 149 2HG ARG 149 16.619 -16.516 -0.607 1117 HD2 ARG 149 1HD ARG 149 14.346 -18.116 -1.447 1118 HD3 ARG 149 2HD ARG 149 15.372 -18.996 -0.284 1119 HE ARG 149 HE ARG 149 15.044 -16.609 0.949 1120 HH11 ARG 149 1HH1 ARG 149 12.635 -18.782 -0.553 1121 HH12 ARG 149 2HH1 ARG 149 11.327 -17.682 -0.151 1122 HH21 ARG 149 1HH2 ARG 149 13.272 -15.668 1.994 1123 HH22 ARG 149 2HH2 ARG 149 11.663 -16.167 1.623 Start of MODEL 11 1 H1 MET 1 H MET 1 -15.100 -6.277 5.963 2 HA MET 1 HA MET 1 -16.404 -4.683 4.688 3 HB2 MET 1 1HB MET 1 -18.259 -4.948 7.069 4 HB3 MET 1 2HB MET 1 -18.310 -3.555 5.990 5 HG2 MET 1 1HG MET 1 -19.970 -4.984 5.200 6 HG3 MET 1 2HG MET 1 -18.643 -5.130 4.050 7 HE1 MET 1 3HE MET 1 -20.406 -8.643 4.012 8 HE2 MET 1 1HE MET 1 -21.189 -7.069 4.270 9 HE3 MET 1 2HE MET 1 -19.905 -7.234 3.050 10 H ALA 2 H ALA 2 -14.347 -3.686 4.985 11 HA ALA 2 HA ALA 2 -14.532 -1.199 6.360 12 HB1 ALA 2 1HB ALA 2 -13.733 -2.217 8.355 13 HB2 ALA 2 2HB ALA 2 -12.650 -3.313 7.480 14 HB3 ALA 2 3HB ALA 2 -12.277 -1.567 7.570 15 H HIS 3 H HIS 3 -13.673 0.103 4.756 16 HA HIS 3 HA HIS 3 -12.210 -1.170 2.595 17 HB2 HIS 3 1HB HIS 3 -13.048 1.717 3.064 18 HB3 HIS 3 2HB HIS 3 -12.326 1.092 1.577 19 HD1 HIS 3 1HD HIS 3 -15.650 1.250 3.357 20 HD2 HIS 3 2HD HIS 3 -13.792 -0.918 0.269 21 HE1 HIS 3 1HE HIS 3 -17.519 0.039 2.093 22 H ILE 4 H ILE 4 -10.108 -0.867 1.950 23 HA ILE 4 HA ILE 4 -8.341 0.820 3.634 24 HB ILE 4 HB ILE 4 -6.638 -0.917 3.640 25 HG12 ILE 4 1HG1 ILE 4 -8.746 -2.949 2.799 26 HG13 ILE 4 2HG1 ILE 4 -7.681 -2.210 1.621 27 HG21 ILE 4 1HG2 ILE 4 -7.553 -2.145 5.488 28 HG22 ILE 4 2HG2 ILE 4 -8.316 -0.557 5.498 29 HG23 ILE 4 3HG2 ILE 4 -9.212 -1.933 4.872 30 HD11 ILE 4 3HD1 ILE 4 -5.698 -2.989 2.883 31 HD12 ILE 4 1HD1 ILE 4 -6.753 -3.786 4.073 32 HD13 ILE 4 2HD1 ILE 4 -6.728 -4.336 2.385 33 H PHE 5 H PHE 5 -6.006 0.617 2.416 34 HA PHE 5 HA PHE 5 -6.397 0.965 -0.524 35 HB2 PHE 5 1HB PHE 5 -5.839 3.021 1.045 36 HB3 PHE 5 2HB PHE 5 -4.273 2.229 1.177 37 HD1 PHE 5 2HD PHE 5 -6.700 3.149 -1.558 38 HD2 PHE 5 1HD PHE 5 -2.606 3.280 -0.161 39 HE1 PHE 5 2HE PHE 5 -6.042 4.372 -3.577 40 HE2 PHE 5 1HE PHE 5 -1.974 4.569 -2.176 41 HZ PHE 5 HZ PHE 5 -3.685 5.131 -3.880 42 H VAL 6 H VAL 6 -4.461 0.280 -1.747 43 HA VAL 6 HA VAL 6 -2.994 -1.924 -0.409 44 HB VAL 6 HB VAL 6 -4.444 -2.567 -2.177 45 HG11 VAL 6 1HG1 VAL 6 -2.867 -0.929 -4.184 46 HG12 VAL 6 2HG1 VAL 6 -4.259 -1.980 -4.465 47 HG13 VAL 6 3HG1 VAL 6 -4.476 -0.470 -3.574 48 HG21 VAL 6 3HG2 VAL 6 -3.030 -3.811 -3.576 49 HG22 VAL 6 1HG2 VAL 6 -1.625 -2.768 -3.297 50 HG23 VAL 6 2HG2 VAL 6 -2.272 -3.782 -1.990 51 H TYR 7 H TYR 7 -0.773 -2.329 -0.618 52 HA TYR 7 HA TYR 7 0.763 0.086 -0.655 53 HB2 TYR 7 1HB TYR 7 0.715 -2.299 0.768 54 HB3 TYR 7 2HB TYR 7 2.205 -2.431 -0.128 55 HD1 TYR 7 2HD TYR 7 3.374 0.319 -0.202 56 HD2 TYR 7 1HD TYR 7 1.261 -1.754 2.965 57 HE1 TYR 7 2HE TYR 7 4.251 1.930 1.442 58 HE2 TYR 7 1HE TYR 7 2.202 -0.138 4.581 59 HH TYR 7 HH TYR 7 2.677 2.295 4.378 60 H GLY 8 H GLY 8 0.093 -1.630 -3.337 61 HA2 GLY 8 2HA GLY 8 1.644 -1.442 -5.378 62 HA3 GLY 8 1HA GLY 8 2.948 -1.788 -4.296 63 H THR 9 H THR 9 1.585 -3.665 -2.597 64 HA THR 9 HA THR 9 2.481 -6.014 -3.697 65 HB THR 9 HB THR 9 1.292 -6.761 -1.440 66 HG1 THR 9 1HG THR 9 1.306 -4.765 -0.078 67 HG21 THR 9 3HG2 THR 9 3.858 -5.753 -2.149 68 HG22 THR 9 1HG2 THR 9 3.412 -6.695 -0.723 69 HG23 THR 9 2HG2 THR 9 3.422 -4.921 -0.669 70 H LEU 10 H LEU 10 -0.801 -4.784 -3.812 71 HA LEU 10 HA LEU 10 -1.677 -7.311 -5.177 72 HB2 LEU 10 1HB LEU 10 -3.160 -5.952 -2.905 73 HB3 LEU 10 2HB LEU 10 -3.659 -7.311 -3.860 74 HG LEU 10 HG LEU 10 -1.334 -8.344 -2.948 75 HD11 LEU 10 1HD1 LEU 10 -0.872 -7.761 -0.694 76 HD12 LEU 10 2HD1 LEU 10 -2.375 -6.848 -0.525 77 HD13 LEU 10 3HD1 LEU 10 -1.060 -6.181 -1.483 78 HD21 LEU 10 3HD2 LEU 10 -2.688 -9.387 -1.169 79 HD22 LEU 10 1HD2 LEU 10 -3.378 -9.501 -2.806 80 HD23 LEU 10 2HD2 LEU 10 -4.027 -8.326 -1.638 81 H LYS 11 H LYS 11 -0.970 -5.043 -6.640 82 HA LYS 11 HA LYS 11 -3.656 -4.216 -7.576 83 HB2 LYS 11 1HB LYS 11 -2.851 -1.919 -8.083 84 HB3 LYS 11 2HB LYS 11 -3.149 -2.331 -6.401 85 HG2 LYS 11 1HG LYS 11 -1.132 -1.677 -5.779 86 HG3 LYS 11 2HG LYS 11 -0.367 -2.800 -6.896 87 HD2 LYS 11 1HD LYS 11 0.467 -0.653 -7.419 88 HD3 LYS 11 2HD LYS 11 -0.642 -1.068 -8.732 89 HE2 LYS 11 1HE LYS 11 -2.368 0.387 -7.719 90 HE3 LYS 11 2HE LYS 11 -1.330 0.658 -6.321 91 HZ1 LYS 11 3HZ LYS 11 0.314 1.465 -8.200 92 HZ2 LYS 11 1HZ LYS 11 -0.846 2.486 -7.559 93 HZ3 LYS 11 2HZ LYS 11 -1.071 1.716 -9.008 94 H ARG 12 H ARG 12 -0.463 -3.211 -8.932 95 HA ARG 12 HA ARG 12 -1.349 -3.900 -11.538 96 HB2 ARG 12 1HB ARG 12 1.131 -2.852 -10.369 97 HB3 ARG 12 2HB ARG 12 1.504 -4.089 -11.558 98 HG2 ARG 12 1HG ARG 12 1.512 -2.008 -12.662 99 HG3 ARG 12 2HG ARG 12 0.087 -2.892 -13.221 100 HD2 ARG 12 1HD ARG 12 -1.386 -1.555 -11.895 101 HD3 ARG 12 2HD ARG 12 -0.043 -0.856 -11.000 102 HE ARG 12 HE ARG 12 0.422 0.597 -12.685 103 HH11 ARG 12 1HH1 ARG 12 -1.978 -1.753 -13.945 104 HH12 ARG 12 2HH1 ARG 12 -2.486 -0.686 -15.203 105 HH21 ARG 12 1HH2 ARG 12 -0.143 1.841 -14.536 106 HH22 ARG 12 2HH2 ARG 12 -1.633 1.496 -15.366 107 H GLY 13 H GLY 13 1.248 -5.648 -9.745 108 HA2 GLY 13 2HA GLY 13 0.057 -8.152 -9.972 109 HA3 GLY 13 1HA GLY 13 1.107 -7.876 -11.398 110 H GLN 14 H GLN 14 1.000 -8.137 -7.843 111 HA GLN 14 HA GLN 14 3.917 -8.105 -7.795 112 HB2 GLN 14 1HB GLN 14 2.031 -6.687 -6.180 113 HB3 GLN 14 2HB GLN 14 2.771 -7.946 -5.181 114 HG2 GLN 14 1HG GLN 14 3.865 -5.705 -5.113 115 HG3 GLN 14 2HG GLN 14 4.958 -7.022 -5.436 116 HE21 GLN 14 1HE2 GLN 14 3.028 -4.553 -7.088 117 HE22 GLN 14 2HE2 GLN 14 4.273 -4.217 -8.288 118 HA PRO 15 HA PRO 15 3.708 -12.368 -6.986 119 HB2 PRO 15 1HB PRO 15 5.338 -12.742 -4.685 120 HB3 PRO 15 2HB PRO 15 5.880 -12.633 -6.391 121 HG2 PRO 15 1HG PRO 15 5.977 -10.620 -4.195 122 HG3 PRO 15 2HG PRO 15 6.992 -10.761 -5.653 123 HD2 PRO 15 1HD PRO 15 4.898 -9.013 -5.166 124 HD3 PRO 15 2HD PRO 15 5.655 -9.284 -6.764 125 H ASN 16 H ASN 16 2.892 -10.327 -4.245 126 HA ASN 16 HA ASN 16 1.931 -12.349 -2.484 127 HB2 ASN 16 1HB ASN 16 1.074 -9.428 -2.451 128 HB3 ASN 16 2HB ASN 16 1.339 -10.525 -1.085 129 HD21 ASN 16 1HD2 ASN 16 2.695 -8.228 -3.256 130 HD22 ASN 16 2HD2 ASN 16 4.362 -8.286 -2.695 131 H HIS 17 H HIS 17 0.539 -10.933 -5.353 132 HA HIS 17 HA HIS 17 -1.900 -10.252 -4.222 133 HB2 HIS 17 1HB HIS 17 -0.842 -9.447 -6.397 134 HB3 HIS 17 2HB HIS 17 -1.111 -11.020 -7.114 135 HD1 HIS 17 1HD HIS 17 -2.040 -8.217 -8.388 136 HD2 HIS 17 2HD HIS 17 -4.403 -11.126 -6.474 137 HE1 HIS 17 1HE HIS 17 -4.387 -7.913 -9.254 138 H LYS 18 H LYS 18 -0.991 -13.424 -5.437 139 HA LYS 18 HA LYS 18 -3.656 -14.462 -5.586 140 HB2 LYS 18 1HB LYS 18 -2.659 -16.658 -5.440 141 HB3 LYS 18 2HB LYS 18 -1.847 -15.637 -6.605 142 HG2 LYS 18 1HG LYS 18 -0.206 -16.892 -5.581 143 HG3 LYS 18 2HG LYS 18 -0.005 -15.277 -4.906 144 HD2 LYS 18 1HD LYS 18 -0.891 -15.981 -2.783 145 HD3 LYS 18 2HD LYS 18 -1.468 -17.529 -3.448 146 HE2 LYS 18 1HE LYS 18 0.753 -18.318 -3.797 147 HE3 LYS 18 2HE LYS 18 1.454 -16.711 -3.578 148 HZ1 LYS 18 3HZ LYS 18 1.807 -18.142 -1.711 149 HZ2 LYS 18 1HZ LYS 18 0.199 -18.287 -1.395 150 HZ3 LYS 18 2HZ LYS 18 0.995 -16.837 -1.257 151 H VAL 19 H VAL 19 -1.828 -13.494 -2.732 152 HA VAL 19 HA VAL 19 -2.878 -15.275 -0.905 153 HB VAL 19 HB VAL 19 -1.065 -13.331 -0.787 154 HG11 VAL 19 1HG1 VAL 19 -3.264 -11.726 0.434 155 HG12 VAL 19 2HG1 VAL 19 -1.569 -11.296 0.130 156 HG13 VAL 19 3HG1 VAL 19 -2.692 -11.513 -1.221 157 HG21 VAL 19 3HG2 VAL 19 -2.548 -14.002 1.604 158 HG22 VAL 19 1HG2 VAL 19 -1.393 -15.047 0.694 159 HG23 VAL 19 2HG2 VAL 19 -0.829 -13.498 1.311 160 H MET 20 H MET 20 -4.404 -12.440 -2.467 161 HA MET 20 HA MET 20 -6.624 -12.550 -0.554 162 HB2 MET 20 1HB MET 20 -7.329 -10.577 -1.427 163 HB3 MET 20 2HB MET 20 -5.597 -10.409 -1.353 164 HG2 MET 20 1HG MET 20 -5.380 -10.240 -3.665 165 HG3 MET 20 2HG MET 20 -6.759 -11.291 -3.991 166 HE1 MET 20 3HE MET 20 -6.437 -8.237 -1.636 167 HE2 MET 20 1HE MET 20 -5.674 -7.544 -3.084 168 HE3 MET 20 2HE MET 20 -7.226 -6.933 -2.506 169 H LEU 21 H LEU 21 -5.867 -14.364 -3.242 170 HA LEU 21 HA LEU 21 -8.599 -14.470 -4.350 171 HB2 LEU 21 1HB LEU 21 -6.053 -15.954 -5.148 172 HB3 LEU 21 2HB LEU 21 -7.560 -15.948 -6.037 173 HG LEU 21 HG LEU 21 -5.718 -13.557 -5.634 174 HD11 LEU 21 1HD1 LEU 21 -5.271 -13.784 -8.021 175 HD12 LEU 21 2HD1 LEU 21 -6.408 -15.139 -8.144 176 HD13 LEU 21 3HD1 LEU 21 -4.910 -15.318 -7.210 177 HD21 LEU 21 3HD2 LEU 21 -7.193 -12.388 -7.269 178 HD22 LEU 21 1HD2 LEU 21 -8.009 -12.729 -5.743 179 HD23 LEU 21 2HD2 LEU 21 -8.345 -13.738 -7.163 180 H ASP 22 H ASP 22 -6.890 -15.838 -1.789 181 HA ASP 22 HA ASP 22 -8.488 -18.364 -1.809 182 HB2 ASP 22 1HB ASP 22 -5.973 -17.551 -0.357 183 HB3 ASP 22 2HB ASP 22 -6.950 -18.919 0.161 184 H HIS 23 H HIS 23 -10.380 -17.502 -1.072 185 HA HIS 23 HA HIS 23 -10.778 -15.412 0.716 186 HB2 HIS 23 1HB HIS 23 -12.447 -16.352 -0.786 187 HB3 HIS 23 2HB HIS 23 -12.477 -17.857 0.130 188 HD1 HIS 23 1HD HIS 23 -14.489 -17.980 1.681 189 HD2 HIS 23 2HD HIS 23 -13.033 -14.089 1.043 190 HE1 HIS 23 1HE HIS 23 -16.115 -16.411 2.902 191 H SER 24 H SER 24 -9.787 -18.601 1.521 192 HA SER 24 HA SER 24 -10.416 -18.690 4.323 193 HB2 SER 24 1HB SER 24 -8.381 -19.998 2.662 194 HB3 SER 24 2HB SER 24 -8.346 -20.198 4.425 195 HG SER 24 HG SER 24 -10.330 -21.077 4.393 196 H HIS 25 H HIS 25 -7.893 -16.887 2.564 197 HA HIS 25 HA HIS 25 -6.487 -16.268 5.062 198 HB2 HIS 25 1HB HIS 25 -6.264 -15.007 2.324 199 HB3 HIS 25 2HB HIS 25 -5.148 -14.789 3.675 200 HD1 HIS 25 1HD HIS 25 -4.627 -15.997 0.672 201 HD2 HIS 25 2HD HIS 25 -4.796 -18.046 4.326 202 HE1 HIS 25 1HE HIS 25 -3.211 -18.103 0.365 203 H GLY 26 H GLY 26 -9.444 -15.304 3.744 204 HA2 GLY 26 2HA GLY 26 -10.795 -13.788 5.058 205 HA3 GLY 26 1HA GLY 26 -9.450 -12.653 5.090 206 H LEU 27 H LEU 27 -11.495 -11.477 4.150 207 HA LEU 27 HA LEU 27 -12.162 -12.083 1.334 208 HB2 LEU 27 1HB LEU 27 -13.868 -11.749 3.165 209 HB3 LEU 27 2HB LEU 27 -13.300 -10.090 3.297 210 HG LEU 27 HG LEU 27 -15.448 -10.432 2.140 211 HD11 LEU 27 1HD1 LEU 27 -15.254 -8.723 0.571 212 HD12 LEU 27 2HD1 LEU 27 -13.586 -9.100 0.196 213 HD13 LEU 27 3HD1 LEU 27 -13.998 -8.374 1.768 214 HD21 LEU 27 3HD2 LEU 27 -13.775 -11.488 -0.167 215 HD22 LEU 27 1HD2 LEU 27 -15.523 -11.171 -0.174 216 HD23 LEU 27 2HD2 LEU 27 -14.856 -12.450 0.862 217 H ALA 28 H ALA 28 -11.553 -10.778 -0.330 218 HA ALA 28 HA ALA 28 -11.049 -7.922 0.182 219 HB1 ALA 28 1HB ALA 28 -9.199 -9.649 -1.474 220 HB2 ALA 28 2HB ALA 28 -9.065 -7.887 -1.258 221 HB3 ALA 28 3HB ALA 28 -8.780 -8.974 0.124 222 H ALA 29 H ALA 29 -12.270 -6.770 -1.218 223 HA ALA 29 HA ALA 29 -13.001 -7.922 -3.865 224 HB1 ALA 29 1HB ALA 29 -15.291 -7.097 -3.515 225 HB2 ALA 29 2HB ALA 29 -14.850 -8.353 -2.339 226 HB3 ALA 29 3HB ALA 29 -14.882 -6.642 -1.845 227 H PHE 30 H PHE 30 -12.634 -6.572 -5.449 228 HA PHE 30 HA PHE 30 -11.354 -4.063 -5.212 229 HB2 PHE 30 1HB PHE 30 -11.344 -5.797 -7.071 230 HB3 PHE 30 2HB PHE 30 -12.892 -5.161 -7.614 231 HD1 PHE 30 1HD PHE 30 -12.700 -2.301 -7.731 232 HD2 PHE 30 2HD PHE 30 -9.553 -5.195 -8.370 233 HE1 PHE 30 1HE PHE 30 -11.397 -0.622 -8.915 234 HE2 PHE 30 2HE PHE 30 -8.299 -3.528 -9.659 235 HZ PHE 30 HZ PHE 30 -9.189 -1.213 -9.939 236 H ARG 31 H ARG 31 -12.354 -2.228 -4.351 237 HA ARG 31 HA ARG 31 -15.189 -1.682 -5.078 238 HB2 ARG 31 1HB ARG 31 -14.807 -2.491 -2.701 239 HB3 ARG 31 2HB ARG 31 -13.782 -1.084 -2.441 240 HG2 ARG 31 1HG ARG 31 -15.874 -0.433 -1.580 241 HG3 ARG 31 2HG ARG 31 -15.833 0.367 -3.125 242 HD2 ARG 31 1HD ARG 31 -17.986 -0.546 -2.954 243 HD3 ARG 31 2HD ARG 31 -17.100 -1.609 -4.065 244 HE ARG 31 HE ARG 31 -17.019 -2.465 -1.287 245 HH11 ARG 31 1HH1 ARG 31 -18.945 -2.531 -4.258 246 HH12 ARG 31 2HH1 ARG 31 -19.867 -3.927 -3.815 247 HH21 ARG 31 1HH2 ARG 31 -18.079 -4.543 -0.806 248 HH22 ARG 31 2HH2 ARG 31 -19.484 -4.953 -1.686 249 H GLY 32 H GLY 32 -13.722 -0.713 -6.868 250 HA2 GLY 32 2HA GLY 32 -13.620 1.372 -7.946 251 HA3 GLY 32 1HA GLY 32 -13.941 2.163 -6.391 252 H ARG 33 H ARG 33 -12.191 3.574 -7.301 253 HA ARG 33 HA ARG 33 -9.526 2.457 -6.640 254 HB2 ARG 33 1HB ARG 33 -10.371 3.972 -9.096 255 HB3 ARG 33 2HB ARG 33 -8.693 4.055 -8.533 256 HG2 ARG 33 1HG ARG 33 -8.374 1.691 -8.701 257 HG3 ARG 33 2HG ARG 33 -10.082 1.388 -8.944 258 HD2 ARG 33 1HD ARG 33 -8.713 1.253 -11.049 259 HD3 ARG 33 2HD ARG 33 -10.115 2.331 -11.093 260 HE ARG 33 HE ARG 33 -8.775 4.035 -11.636 261 HH11 ARG 33 1HH1 ARG 33 -6.781 1.823 -9.657 262 HH12 ARG 33 2HH1 ARG 33 -5.350 2.772 -9.868 263 HH21 ARG 33 1HH2 ARG 33 -6.735 5.124 -12.033 264 HH22 ARG 33 2HH2 ARG 33 -5.334 4.643 -11.096 265 H GLY 34 H GLY 34 -7.768 4.271 -6.370 266 HA2 GLY 34 2HA GLY 34 -8.753 6.831 -5.624 267 HA3 GLY 34 1HA GLY 34 -8.480 5.830 -4.171 268 H CYS 35 H CYS 35 -7.167 8.082 -4.310 269 HA CYS 35 HA CYS 35 -4.435 7.091 -4.506 270 HB2 CYS 35 1HB CYS 35 -3.629 9.062 -5.615 271 HB3 CYS 35 2HB CYS 35 -4.801 8.268 -6.675 272 HG CYS 35 HG CYS 35 -4.947 10.873 -6.930 273 H THR 36 H THR 36 -2.934 8.471 -3.098 274 HA THR 36 HA THR 36 -4.444 9.809 -0.939 275 HB THR 36 HB THR 36 -2.297 10.261 0.040 276 HG1 THR 36 1HG THR 36 -0.963 10.591 -1.530 277 HG21 THR 36 3HG2 THR 36 -2.439 7.362 -0.931 278 HG22 THR 36 1HG2 THR 36 -3.307 8.045 0.465 279 HG23 THR 36 2HG2 THR 36 -1.542 7.959 0.484 280 H VAL 37 H VAL 37 -5.480 11.693 -1.784 281 HA VAL 37 HA VAL 37 -4.167 13.393 -3.702 282 HB VAL 37 HB VAL 37 -5.770 15.171 -2.635 283 HG11 VAL 37 1HG1 VAL 37 -7.622 14.131 -4.029 284 HG12 VAL 37 2HG1 VAL 37 -6.059 14.317 -4.829 285 HG13 VAL 37 3HG1 VAL 37 -6.554 12.726 -4.247 286 HG21 VAL 37 3HG2 VAL 37 -7.120 12.650 -1.549 287 HG22 VAL 37 1HG2 VAL 37 -6.301 13.896 -0.555 288 HG23 VAL 37 2HG2 VAL 37 -7.728 14.307 -1.513 289 H GLU 38 H GLU 38 -3.968 13.089 -0.216 290 HA GLU 38 HA GLU 38 -2.255 15.375 0.153 291 HB2 GLU 38 1HB GLU 38 -3.572 13.493 1.806 292 HB3 GLU 38 2HB GLU 38 -1.865 13.175 2.083 293 HG2 GLU 38 1HG GLU 38 -1.524 15.241 3.082 294 HG3 GLU 38 2HG GLU 38 -2.738 16.028 2.083 295 H SER 39 H SER 39 -0.205 15.553 -0.372 296 HA SER 39 HA SER 39 1.112 13.606 -1.992 297 HB2 SER 39 1HB SER 39 2.626 15.855 -0.727 298 HB3 SER 39 2HB SER 39 2.556 15.343 -2.410 299 HG SER 39 HG SER 39 1.548 17.459 -1.666 300 H PHE 40 H PHE 40 2.608 11.982 -1.259 301 HA PHE 40 HA PHE 40 3.682 12.270 1.551 302 HB2 PHE 40 1HB PHE 40 2.174 9.905 0.300 303 HB3 PHE 40 2HB PHE 40 3.246 9.788 1.642 304 HD1 PHE 40 1HD PHE 40 2.712 11.235 3.810 305 HD2 PHE 40 2HD PHE 40 -0.077 10.210 0.750 306 HE1 PHE 40 1HE PHE 40 0.837 11.432 5.452 307 HE2 PHE 40 2HE PHE 40 -1.948 10.357 2.362 308 HZ PHE 40 HZ PHE 40 -1.498 10.847 4.724 309 HA PRO 41 HA PRO 41 7.410 10.618 -0.341 310 HB2 PRO 41 1HB PRO 41 8.451 9.248 1.836 311 HB3 PRO 41 2HB PRO 41 8.601 10.978 1.653 312 HG2 PRO 41 1HG PRO 41 6.532 9.407 3.162 313 HG3 PRO 41 2HG PRO 41 7.314 10.950 3.678 314 HD2 PRO 41 1HD PRO 41 4.827 10.835 2.816 315 HD3 PRO 41 2HD PRO 41 5.907 12.201 2.419 316 H LEU 42 H LEU 42 6.848 9.040 -1.763 317 HA LEU 42 HA LEU 42 6.432 6.341 -0.629 318 HB2 LEU 42 1HB LEU 42 4.460 7.391 -1.721 319 HB3 LEU 42 2HB LEU 42 5.342 7.496 -3.221 320 HG LEU 42 HG LEU 42 3.758 5.670 -3.165 321 HD11 LEU 42 1HD1 LEU 42 5.085 3.909 -4.055 322 HD12 LEU 42 2HD1 LEU 42 6.575 4.601 -3.368 323 HD13 LEU 42 3HD1 LEU 42 5.641 5.474 -4.581 324 HD21 LEU 42 3HD2 LEU 42 4.526 3.598 -1.637 325 HD22 LEU 42 1HD2 LEU 42 3.371 4.821 -1.130 326 HD23 LEU 42 2HD2 LEU 42 5.020 4.903 -0.563 327 H VAL 43 H VAL 43 8.391 5.603 -0.533 328 HA VAL 43 HA VAL 43 10.300 5.975 -2.741 329 HB VAL 43 HB VAL 43 11.998 6.364 -0.837 330 HG11 VAL 43 1HG1 VAL 43 11.559 8.738 -0.479 331 HG12 VAL 43 2HG1 VAL 43 11.203 8.280 -2.152 332 HG13 VAL 43 3HG1 VAL 43 9.871 8.536 -1.012 333 HG21 VAL 43 3HG2 VAL 43 9.605 7.053 0.946 334 HG22 VAL 43 1HG2 VAL 43 10.484 5.531 1.068 335 HG23 VAL 43 2HG2 VAL 43 11.330 7.030 1.384 336 H ILE 44 H ILE 44 11.710 4.409 -3.040 337 HA ILE 44 HA ILE 44 10.910 1.861 -1.750 338 HB ILE 44 HB ILE 44 11.875 2.433 -4.573 339 HG12 ILE 44 1HG1 ILE 44 9.551 1.282 -4.956 340 HG13 ILE 44 2HG1 ILE 44 9.203 1.715 -3.315 341 HG21 ILE 44 1HG2 ILE 44 12.758 0.282 -3.761 342 HG22 ILE 44 2HG2 ILE 44 11.168 -0.161 -3.108 343 HG23 ILE 44 3HG2 ILE 44 11.401 -0.041 -4.858 344 HD11 ILE 44 3HD1 ILE 44 8.111 3.161 -4.857 345 HD12 ILE 44 1HD1 ILE 44 9.363 4.135 -4.079 346 HD13 ILE 44 2HD1 ILE 44 9.628 3.497 -5.730 347 H ALA 45 H ALA 45 12.273 0.883 -0.535 348 HA ALA 45 HA ALA 45 15.181 1.382 -0.703 349 HB1 ALA 45 1HB ALA 45 13.480 1.788 1.791 350 HB2 ALA 45 2HB ALA 45 15.226 2.018 1.635 351 HB3 ALA 45 3HB ALA 45 14.145 3.101 0.780 352 H GLY 46 H GLY 46 15.905 0.047 1.504 353 HA2 GLY 46 2HA GLY 46 16.262 -2.005 2.382 354 HA3 GLY 46 1HA GLY 46 14.675 -2.546 1.808 355 H GLU 47 H GLU 47 16.879 -4.238 1.655 356 HA GLU 47 HA GLU 47 18.252 -4.077 -0.863 357 HB2 GLU 47 1HB GLU 47 18.918 -4.979 1.456 358 HB3 GLU 47 2HB GLU 47 18.010 -6.441 1.036 359 HG2 GLU 47 1HG GLU 47 19.565 -6.855 -0.819 360 HG3 GLU 47 2HG GLU 47 20.379 -5.311 -0.528 361 H HIS 48 H HIS 48 15.133 -4.802 -0.474 362 HA HIS 48 HA HIS 48 15.104 -6.822 -2.621 363 HB2 HIS 48 1HB HIS 48 13.879 -6.866 0.131 364 HB3 HIS 48 2HB HIS 48 12.995 -7.654 -1.141 365 HD1 HIS 48 1HD HIS 48 14.327 -9.701 -2.493 366 HD2 HIS 48 2HD HIS 48 15.720 -8.366 1.240 367 HE1 HIS 48 1HE HIS 48 15.978 -11.423 -1.732 368 H ASN 49 H ASN 49 14.571 -3.793 -2.446 369 HA ASN 49 HA ASN 49 13.200 -2.210 -3.290 370 HB2 ASN 49 1HB ASN 49 12.387 -4.525 -5.023 371 HB3 ASN 49 2HB ASN 49 11.690 -2.931 -5.276 372 HD21 ASN 49 1HD2 ASN 49 13.424 -1.072 -5.413 373 HD22 ASN 49 2HD2 ASN 49 14.856 -1.453 -6.339 374 H ILE 50 H ILE 50 12.343 -2.144 -1.173 375 HA ILE 50 HA ILE 50 9.657 -3.200 -0.705 376 HB ILE 50 HB ILE 50 11.895 -2.498 1.221 377 HG12 ILE 50 1HG1 ILE 50 10.553 -5.156 0.540 378 HG13 ILE 50 2HG1 ILE 50 12.099 -4.660 -0.143 379 HG21 ILE 50 1HG2 ILE 50 10.337 -3.320 2.958 380 HG22 ILE 50 2HG2 ILE 50 9.611 -1.971 2.121 381 HG23 ILE 50 3HG2 ILE 50 9.097 -3.620 1.721 382 HD11 ILE 50 3HD1 ILE 50 12.393 -6.220 1.718 383 HD12 ILE 50 1HD1 ILE 50 13.153 -4.649 2.038 384 HD13 ILE 50 2HD1 ILE 50 11.613 -5.093 2.825 385 HA PRO 51 HA PRO 51 8.904 1.360 -1.234 386 HB2 PRO 51 1HB PRO 51 6.135 1.070 -1.362 387 HB3 PRO 51 2HB PRO 51 7.210 1.066 -2.788 388 HG2 PRO 51 1HG PRO 51 6.051 -1.226 -1.266 389 HG3 PRO 51 2HG PRO 51 6.226 -1.048 -3.045 390 HD2 PRO 51 1HD PRO 51 7.919 -2.575 -1.572 391 HD3 PRO 51 2HD PRO 51 8.515 -1.609 -2.960 392 H TRP 52 H TRP 52 8.597 2.683 0.402 393 HA TRP 52 HA TRP 52 7.106 1.779 2.819 394 HB2 TRP 52 1HB TRP 52 9.489 3.653 2.790 395 HB3 TRP 52 2HB TRP 52 8.528 3.172 4.183 396 HD1 TRP 52 HD TRP 52 11.058 1.776 1.706 397 HE1 TRP 52 1HE TRP 52 12.073 -0.393 2.603 398 HE3 TRP 52 3HE TRP 52 8.223 1.253 5.919 399 HZ2 TRP 52 2HZ TRP 52 11.734 -2.104 4.904 400 HZ3 TRP 52 3HZ TRP 52 8.524 -0.668 7.404 401 HH2 TRP 52 HH TRP 52 10.320 -2.397 6.898 402 H LEU 53 H LEU 53 5.630 3.239 3.531 403 HA LEU 53 HA LEU 53 5.336 5.757 2.068 404 HB2 LEU 53 1HB LEU 53 3.402 3.880 1.880 405 HB3 LEU 53 2HB LEU 53 2.985 4.486 3.469 406 HG LEU 53 HG LEU 53 2.727 5.700 0.757 407 HD11 LEU 53 1HD1 LEU 53 0.535 6.310 1.630 408 HD12 LEU 53 2HD1 LEU 53 1.066 5.943 3.286 409 HD13 LEU 53 3HD1 LEU 53 0.885 4.633 2.114 410 HD21 LEU 53 3HD2 LEU 53 3.184 7.491 3.101 411 HD22 LEU 53 1HD2 LEU 53 2.232 7.884 1.626 412 HD23 LEU 53 2HD2 LEU 53 3.935 7.483 1.474 413 H LEU 54 H LEU 54 6.357 7.032 3.230 414 HA LEU 54 HA LEU 54 6.531 6.598 6.166 415 HB2 LEU 54 1HB LEU 54 7.565 9.043 4.898 416 HB3 LEU 54 2HB LEU 54 8.241 8.167 6.244 417 HG LEU 54 HG LEU 54 8.452 7.533 3.263 418 HD11 LEU 54 1HD1 LEU 54 10.558 8.407 5.291 419 HD12 LEU 54 2HD1 LEU 54 9.836 9.432 4.035 420 HD13 LEU 54 3HD1 LEU 54 10.840 8.051 3.572 421 HD21 LEU 54 3HD2 LEU 54 8.391 5.437 4.527 422 HD22 LEU 54 1HD2 LEU 54 9.695 6.025 5.568 423 HD23 LEU 54 2HD2 LEU 54 9.993 5.739 3.835 424 H TYR 55 H TYR 55 5.497 7.988 7.681 425 HA TYR 55 HA TYR 55 3.062 9.163 6.600 426 HB2 TYR 55 1HB TYR 55 3.241 7.787 8.710 427 HB3 TYR 55 2HB TYR 55 3.980 9.142 9.499 428 HD1 TYR 55 2HD TYR 55 1.011 8.514 7.220 429 HD2 TYR 55 1HD TYR 55 2.441 10.470 10.767 430 HE1 TYR 55 2HE TYR 55 -1.327 9.095 7.824 431 HE2 TYR 55 1HE TYR 55 0.137 11.154 11.321 432 HH TYR 55 HH TYR 55 -2.223 11.307 10.201 433 H LEU 56 H LEU 56 4.097 10.815 5.259 434 HA LEU 56 HA LEU 56 4.678 13.294 6.813 435 HB2 LEU 56 1HB LEU 56 6.688 11.920 5.560 436 HB3 LEU 56 2HB LEU 56 6.251 13.021 4.316 437 HG LEU 56 HG LEU 56 7.939 14.101 5.393 438 HD11 LEU 56 1HD1 LEU 56 7.026 16.107 6.332 439 HD12 LEU 56 2HD1 LEU 56 5.502 15.327 6.747 440 HD13 LEU 56 3HD1 LEU 56 5.931 15.565 5.045 441 HD21 LEU 56 3HD2 LEU 56 8.115 12.690 7.344 442 HD22 LEU 56 1HD2 LEU 56 6.644 13.398 8.047 443 HD23 LEU 56 2HD2 LEU 56 8.097 14.396 7.825 444 HA PRO 57 HA PRO 57 1.375 14.041 3.668 445 HB2 PRO 57 1HB PRO 57 -0.036 15.908 5.076 446 HB3 PRO 57 2HB PRO 57 -0.228 14.145 5.330 447 HG2 PRO 57 1HG PRO 57 1.459 16.089 6.930 448 HG3 PRO 57 2HG PRO 57 0.322 14.853 7.548 449 HD2 PRO 57 1HD PRO 57 3.005 14.446 7.388 450 HD3 PRO 57 2HD PRO 57 1.872 13.095 7.106 451 H GLY 58 H GLY 58 1.338 15.740 2.209 452 HA2 GLY 58 2HA GLY 58 1.870 17.754 1.233 453 HA3 GLY 58 1HA GLY 58 2.470 18.343 2.778 454 H LYS 59 H LYS 59 4.283 15.383 2.116 455 HA LYS 59 HA LYS 59 6.247 16.966 0.550 456 HB2 LYS 59 1HB LYS 59 6.714 16.652 3.057 457 HB3 LYS 59 2HB LYS 59 6.737 14.920 2.753 458 HG2 LYS 59 1HG LYS 59 8.972 15.314 2.479 459 HG3 LYS 59 2HG LYS 59 8.415 15.633 0.824 460 HD2 LYS 59 1HD LYS 59 9.968 17.356 1.425 461 HD3 LYS 59 2HD LYS 59 8.341 18.081 1.395 462 HE2 LYS 59 1HE LYS 59 8.181 17.723 3.866 463 HE3 LYS 59 2HE LYS 59 9.815 17.047 3.886 464 HZ1 LYS 59 3HZ LYS 59 9.461 19.486 4.454 465 HZ2 LYS 59 1HZ LYS 59 9.304 19.751 2.845 466 HZ3 LYS 59 2HZ LYS 59 10.706 19.124 3.432 467 H GLY 60 H GLY 60 6.492 15.900 -1.458 468 HA2 GLY 60 2HA GLY 60 7.031 13.869 -2.625 469 HA3 GLY 60 1HA GLY 60 6.052 12.930 -1.526 470 H HIS 61 H HIS 61 4.493 12.115 -2.985 471 HA HIS 61 HA HIS 61 3.018 14.055 -4.680 472 HB2 HIS 61 1HB HIS 61 4.202 11.453 -5.701 473 HB3 HIS 61 2HB HIS 61 3.326 12.668 -6.631 474 HD1 HIS 61 1HD HIS 61 5.037 15.296 -5.718 475 HD2 HIS 61 2HD HIS 61 6.515 11.503 -6.877 476 HE1 HIS 61 1HE HIS 61 7.394 15.665 -6.544 477 H CYS 62 H CYS 62 1.182 12.735 -5.855 478 HA CYS 62 HA CYS 62 -0.375 11.538 -3.738 479 HB2 CYS 62 1HB CYS 62 -1.025 11.892 -6.705 480 HB3 CYS 62 2HB CYS 62 -2.176 11.515 -5.422 481 HG CYS 62 HG CYS 62 -1.776 13.651 -3.984 482 H VAL 63 H VAL 63 -0.211 9.432 -3.210 483 HA VAL 63 HA VAL 63 1.058 7.531 -4.971 484 HB VAL 63 HB VAL 63 -0.221 7.157 -2.237 485 HG11 VAL 63 1HG1 VAL 63 1.395 5.261 -2.112 486 HG12 VAL 63 2HG1 VAL 63 0.086 5.034 -3.298 487 HG13 VAL 63 3HG1 VAL 63 1.707 5.473 -3.857 488 HG21 VAL 63 3HG2 VAL 63 2.618 7.905 -3.031 489 HG22 VAL 63 1HG2 VAL 63 1.518 8.859 -2.033 490 HG23 VAL 63 2HG2 VAL 63 2.141 7.344 -1.401 491 H THR 64 H THR 64 -0.153 6.645 -6.666 492 HA THR 64 HA THR 64 -3.075 6.604 -6.403 493 HB THR 64 HB THR 64 -3.113 6.307 -8.782 494 HG1 THR 64 1HG THR 64 -0.774 6.683 -9.654 495 HG21 THR 64 3HG2 THR 64 -2.248 8.368 -9.433 496 HG22 THR 64 1HG2 THR 64 -0.891 8.295 -8.282 497 HG23 THR 64 2HG2 THR 64 -2.554 8.593 -7.710 498 H GLY 65 H GLY 65 -4.469 4.767 -6.815 499 HA2 GLY 65 2HA GLY 65 -3.460 2.054 -6.742 500 HA3 GLY 65 1HA GLY 65 -3.833 2.811 -5.170 501 H GLU 66 H GLU 66 -5.325 1.045 -5.003 502 HA GLU 66 HA GLU 66 -7.852 1.634 -6.390 503 HB2 GLU 66 1HB GLU 66 -8.173 -0.433 -7.043 504 HB3 GLU 66 2HB GLU 66 -6.416 -0.593 -6.882 505 HG2 GLU 66 1HG GLU 66 -6.404 -1.748 -4.961 506 HG3 GLU 66 2HG GLU 66 -8.113 -1.486 -4.620 507 H ILE 67 H ILE 67 -9.760 0.530 -4.829 508 HA ILE 67 HA ILE 67 -8.916 0.755 -1.975 509 HB ILE 67 HB ILE 67 -11.513 1.555 -3.336 510 HG12 ILE 67 1HG1 ILE 67 -9.511 3.291 -1.867 511 HG13 ILE 67 2HG1 ILE 67 -9.659 3.195 -3.610 512 HG21 ILE 67 1HG2 ILE 67 -12.266 2.213 -1.039 513 HG22 ILE 67 2HG2 ILE 67 -11.991 0.493 -1.190 514 HG23 ILE 67 3HG2 ILE 67 -10.780 1.512 -0.376 515 HD11 ILE 67 3HD1 ILE 67 -11.772 4.287 -1.741 516 HD12 ILE 67 1HD1 ILE 67 -10.836 5.148 -2.973 517 HD13 ILE 67 2HD1 ILE 67 -12.036 3.933 -3.472 518 H TYR 68 H TYR 68 -8.952 -1.363 -1.159 519 HA TYR 68 HA TYR 68 -10.889 -3.278 -2.369 520 HB2 TYR 68 1HB TYR 68 -8.570 -3.771 -0.469 521 HB3 TYR 68 2HB TYR 68 -9.845 -4.921 -0.790 522 HD1 TYR 68 1HD TYR 68 -10.226 -5.854 -3.047 523 HD2 TYR 68 2HD TYR 68 -6.829 -3.366 -2.174 524 HE1 TYR 68 1HE TYR 68 -9.157 -6.552 -5.187 525 HE2 TYR 68 2HE TYR 68 -5.863 -3.929 -4.412 526 HH TYR 68 HH TYR 68 -6.895 -4.874 -6.596 527 H GLU 69 H GLU 69 -12.728 -3.688 -1.363 528 HA GLU 69 HA GLU 69 -13.303 -2.922 1.425 529 HB2 GLU 69 1HB GLU 69 -15.087 -3.032 -0.378 530 HB3 GLU 69 2HB GLU 69 -14.765 -4.742 -0.559 531 HG2 GLU 69 1HG GLU 69 -15.210 -4.102 2.269 532 HG3 GLU 69 2HG GLU 69 -16.510 -3.439 1.271 533 H VAL 70 H VAL 70 -12.649 -4.308 3.101 534 HA VAL 70 HA VAL 70 -12.054 -7.137 2.415 535 HB VAL 70 HB VAL 70 -10.039 -7.136 3.587 536 HG11 VAL 70 1HG1 VAL 70 -8.542 -5.839 2.220 537 HG12 VAL 70 2HG1 VAL 70 -9.848 -6.485 1.227 538 HG13 VAL 70 3HG1 VAL 70 -9.864 -4.773 1.702 539 HG21 VAL 70 3HG2 VAL 70 -10.468 -5.483 5.328 540 HG22 VAL 70 1HG2 VAL 70 -8.898 -5.240 4.550 541 HG23 VAL 70 2HG2 VAL 70 -10.259 -4.180 4.118 542 H ASP 71 H ASP 71 -11.835 -8.490 4.409 543 HA ASP 71 HA ASP 71 -13.699 -7.557 6.537 544 HB2 ASP 71 1HB ASP 71 -14.324 -9.625 7.040 545 HB3 ASP 71 2HB ASP 71 -14.144 -9.829 5.316 546 H GLU 72 H GLU 72 -13.056 -8.931 8.581 547 HA GLU 72 HA GLU 72 -10.735 -7.538 9.583 548 HB2 GLU 72 1HB GLU 72 -12.594 -9.555 10.669 549 HB3 GLU 72 2HB GLU 72 -11.128 -9.091 11.595 550 HG2 GLU 72 1HG GLU 72 -12.161 -7.314 12.389 551 HG3 GLU 72 2HG GLU 72 -12.453 -6.797 10.740 552 H GLN 73 H GLN 73 -11.363 -10.979 8.554 553 HA GLN 73 HA GLN 73 -8.921 -12.071 9.470 554 HB2 GLN 73 1HB GLN 73 -10.644 -12.853 7.190 555 HB3 GLN 73 2HB GLN 73 -9.129 -13.647 7.616 556 HG2 GLN 73 1HG GLN 73 -11.652 -13.444 9.261 557 HG3 GLN 73 2HG GLN 73 -10.739 -14.809 8.625 558 HE21 GLN 73 1HE2 GLN 73 -8.208 -14.592 9.506 559 HE22 GLN 73 2HE2 GLN 73 -8.087 -14.446 11.244 560 H MET 74 H MET 74 -9.768 -10.355 6.364 561 HA MET 74 HA MET 74 -7.144 -10.678 5.280 562 HB2 MET 74 1HB MET 74 -9.229 -10.177 4.031 563 HB3 MET 74 2HB MET 74 -9.315 -8.616 4.816 564 HG2 MET 74 1HG MET 74 -8.383 -8.429 2.539 565 HG3 MET 74 2HG MET 74 -7.213 -7.906 3.744 566 HE1 MET 74 3HE MET 74 -7.171 -11.895 1.435 567 HE2 MET 74 1HE MET 74 -7.921 -11.821 3.040 568 HE3 MET 74 2HE MET 74 -8.554 -10.817 1.717 569 H LEU 75 H LEU 75 -8.682 -7.830 6.996 570 HA LEU 75 HA LEU 75 -6.274 -6.325 6.995 571 HB2 LEU 75 1HB LEU 75 -8.869 -5.990 8.110 572 HB3 LEU 75 2HB LEU 75 -7.781 -5.925 9.483 573 HG LEU 75 HG LEU 75 -7.891 -4.125 7.056 574 HD11 LEU 75 1HD1 LEU 75 -7.915 -3.511 10.050 575 HD12 LEU 75 2HD1 LEU 75 -9.378 -3.732 9.061 576 HD13 LEU 75 3HD1 LEU 75 -8.283 -2.387 8.724 577 HD21 LEU 75 3HD2 LEU 75 -6.028 -2.782 7.912 578 HD22 LEU 75 1HD2 LEU 75 -5.472 -4.372 7.398 579 HD23 LEU 75 2HD2 LEU 75 -5.660 -4.034 9.126 580 H ARG 76 H ARG 76 -7.189 -9.034 9.034 581 HA ARG 76 HA ARG 76 -5.192 -8.619 11.100 582 HB2 ARG 76 1HB ARG 76 -7.052 -10.909 10.356 583 HB3 ARG 76 2HB ARG 76 -5.753 -11.131 11.498 584 HG2 ARG 76 1HG ARG 76 -6.740 -9.031 12.739 585 HG3 ARG 76 2HG ARG 76 -8.220 -9.372 11.810 586 HD2 ARG 76 1HD ARG 76 -7.814 -11.838 12.585 587 HD3 ARG 76 2HD ARG 76 -6.759 -11.124 13.816 588 HE ARG 76 HE ARG 76 -9.315 -9.791 13.730 589 HH11 ARG 76 1HH1 ARG 76 -7.860 -12.830 14.930 590 HH12 ARG 76 2HH1 ARG 76 -9.302 -13.303 15.746 591 HH21 ARG 76 1HH2 ARG 76 -11.230 -10.516 14.734 592 HH22 ARG 76 2HH2 ARG 76 -11.203 -11.949 15.680 593 H PHE 77 H PHE 77 -5.406 -10.672 8.137 594 HA PHE 77 HA PHE 77 -2.918 -12.017 8.465 595 HB2 PHE 77 1HB PHE 77 -4.517 -12.744 6.773 596 HB3 PHE 77 2HB PHE 77 -4.548 -11.165 6.035 597 HD1 PHE 77 2HD PHE 77 -1.597 -13.299 7.102 598 HD2 PHE 77 1HD PHE 77 -3.601 -11.175 3.934 599 HE1 PHE 77 2HE PHE 77 0.327 -13.677 5.646 600 HE2 PHE 77 1HE PHE 77 -1.705 -11.732 2.374 601 HZ PHE 77 HZ PHE 77 0.283 -12.911 3.271 602 H LEU 78 H LEU 78 -3.753 -9.158 6.522 603 HA LEU 78 HA LEU 78 -1.282 -8.329 5.754 604 HB2 LEU 78 1HB LEU 78 -3.866 -6.929 6.444 605 HB3 LEU 78 2HB LEU 78 -2.466 -5.925 6.164 606 HG LEU 78 HG LEU 78 -2.211 -6.592 3.929 607 HD11 LEU 78 1HD1 LEU 78 -3.431 -8.338 2.761 608 HD12 LEU 78 2HD1 LEU 78 -4.229 -8.838 4.263 609 HD13 LEU 78 3HD1 LEU 78 -2.472 -9.023 4.053 610 HD21 LEU 78 3HD2 LEU 78 -4.389 -6.100 2.901 611 HD22 LEU 78 1HD2 LEU 78 -4.168 -5.105 4.342 612 HD23 LEU 78 2HD2 LEU 78 -5.227 -6.530 4.410 613 H ASP 79 H ASP 79 -2.794 -7.671 8.921 614 HA ASP 79 HA ASP 79 -0.785 -6.074 10.059 615 HB2 ASP 79 1HB ASP 79 -3.263 -6.870 10.782 616 HB3 ASP 79 2HB ASP 79 -2.345 -7.888 11.856 617 H ASP 80 H ASP 80 -0.371 -9.248 9.151 618 HA ASP 80 HA ASP 80 1.846 -9.746 11.084 619 HB2 ASP 80 1HB ASP 80 -0.339 -11.086 11.425 620 HB3 ASP 80 2HB ASP 80 0.028 -11.875 9.897 621 H PHE 81 H PHE 81 1.134 -8.877 8.049 622 HA PHE 81 HA PHE 81 3.130 -10.620 6.714 623 HB2 PHE 81 1HB PHE 81 0.769 -10.307 5.787 624 HB3 PHE 81 2HB PHE 81 1.207 -8.637 5.439 625 HD1 PHE 81 2HD PHE 81 2.240 -12.187 4.883 626 HD2 PHE 81 1HD PHE 81 2.472 -8.132 3.425 627 HE1 PHE 81 2HE PHE 81 3.300 -12.998 2.800 628 HE2 PHE 81 1HE PHE 81 3.559 -8.957 1.343 629 HZ PHE 81 HZ PHE 81 3.966 -11.384 1.029 630 H GLU 82 H GLU 82 2.232 -7.154 7.206 631 HA GLU 82 HA GLU 82 4.610 -6.241 5.846 632 HB2 GLU 82 1HB GLU 82 3.079 -4.489 7.756 633 HB3 GLU 82 2HB GLU 82 3.947 -4.046 6.296 634 HG2 GLU 82 1HG GLU 82 1.245 -5.365 6.514 635 HG3 GLU 82 2HG GLU 82 1.589 -3.734 5.998 636 H ASP 83 H ASP 83 4.517 -7.772 8.767 637 HA ASP 83 HA ASP 83 5.592 -7.788 10.701 638 HB2 ASP 83 1HB ASP 83 7.752 -7.620 9.125 639 HB3 ASP 83 2HB ASP 83 7.792 -6.001 9.719 640 H CYS 84 H CYS 84 3.683 -5.727 10.242 641 HA CYS 84 HA CYS 84 4.521 -3.352 11.750 642 HB2 CYS 84 1HB CYS 84 1.914 -3.134 11.889 643 HB3 CYS 84 2HB CYS 84 2.745 -2.784 10.366 644 HG CYS 84 HG CYS 84 2.269 -4.977 9.155 645 HA PRO 85 HA PRO 85 3.283 -2.041 13.437 646 HB2 PRO 85 1HB PRO 85 3.722 -1.280 15.959 647 HB3 PRO 85 2HB PRO 85 2.152 -1.990 15.470 648 HG2 PRO 85 1HG PRO 85 4.522 -3.415 16.743 649 HG3 PRO 85 2HG PRO 85 2.815 -3.404 17.287 650 HD2 PRO 85 1HD PRO 85 3.821 -5.399 15.707 651 HD3 PRO 85 2HD PRO 85 2.148 -4.810 15.495 652 H SER 86 H SER 86 5.826 -4.206 14.053 653 HA SER 86 HA SER 86 7.930 -2.598 14.989 654 HB2 SER 86 1HB SER 86 7.513 -5.283 13.820 655 HB3 SER 86 2HB SER 86 9.087 -4.590 13.434 656 HG SER 86 HG SER 86 9.015 -5.688 15.508 657 H MET 87 H MET 87 7.387 -3.673 11.598 658 HA MET 87 HA MET 87 9.478 -1.837 10.717 659 HB2 MET 87 1HB MET 87 7.657 -3.773 9.260 660 HB3 MET 87 2HB MET 87 8.819 -2.713 8.482 661 HG2 MET 87 1HG MET 87 10.585 -3.737 9.939 662 HG3 MET 87 2HG MET 87 9.449 -4.954 10.397 663 HE1 MET 87 3HE MET 87 9.213 -5.559 6.020 664 HE2 MET 87 1HE MET 87 8.093 -5.820 7.371 665 HE3 MET 87 2HE MET 87 8.529 -4.172 6.876 666 H TYR 88 H TYR 88 5.998 -2.193 10.062 667 HA TYR 88 HA TYR 88 5.743 0.652 9.134 668 HB2 TYR 88 1HB TYR 88 4.085 -1.865 8.545 669 HB3 TYR 88 2HB TYR 88 3.611 -0.254 8.078 670 HD1 TYR 88 2HD TYR 88 6.187 -2.871 7.522 671 HD2 TYR 88 1HD TYR 88 4.309 0.641 6.003 672 HE1 TYR 88 2HE TYR 88 7.325 -3.242 5.361 673 HE2 TYR 88 1HE TYR 88 5.561 0.393 3.817 674 HH TYR 88 HH TYR 88 7.076 -1.009 2.569 675 H GLN 89 H GLN 89 3.308 1.385 9.865 676 HA GLN 89 HA GLN 89 2.110 -0.254 12.007 677 HB2 GLN 89 1HB GLN 89 2.235 2.792 12.213 678 HB3 GLN 89 2HB GLN 89 1.344 1.690 13.247 679 HG2 GLN 89 1HG GLN 89 3.185 2.252 14.532 680 HG3 GLN 89 2HG GLN 89 3.579 0.649 13.912 681 HE21 GLN 89 1HE2 GLN 89 5.786 0.616 13.494 682 HE22 GLN 89 2HE2 GLN 89 6.634 1.892 12.646 683 H ARG 90 H ARG 90 -0.287 0.100 12.044 684 HA ARG 90 HA ARG 90 -1.317 0.883 9.386 685 HB2 ARG 90 1HB ARG 90 -2.230 -1.070 10.713 686 HB3 ARG 90 2HB ARG 90 -2.797 0.068 11.901 687 HG2 ARG 90 1HG ARG 90 -3.663 0.808 9.140 688 HG3 ARG 90 2HG ARG 90 -4.143 -0.826 9.544 689 HD2 ARG 90 1HD ARG 90 -4.810 1.657 11.165 690 HD3 ARG 90 2HD ARG 90 -5.909 0.678 10.152 691 HE ARG 90 HE ARG 90 -4.766 -1.172 11.859 692 HH11 ARG 90 1HH1 ARG 90 -6.897 1.545 12.155 693 HH12 ARG 90 2HH1 ARG 90 -7.511 1.183 13.723 694 HH21 ARG 90 1HH2 ARG 90 -5.561 -1.888 13.738 695 HH22 ARG 90 2HH2 ARG 90 -6.804 -1.057 14.634 696 H THR 91 H THR 91 -2.464 2.846 8.944 697 HA THR 91 HA THR 91 -3.025 4.605 11.257 698 HB THR 91 HB THR 91 -1.558 5.401 8.711 699 HG1 THR 91 1HG THR 91 0.259 4.984 9.728 700 HG21 THR 91 3HG2 THR 91 -2.552 7.360 9.763 701 HG22 THR 91 1HG2 THR 91 -0.816 7.345 10.099 702 HG23 THR 91 2HG2 THR 91 -1.941 6.844 11.364 703 H ALA 92 H ALA 92 -4.468 6.310 10.656 704 HA ALA 92 HA ALA 92 -6.254 5.887 8.286 705 HB1 ALA 92 1HB ALA 92 -6.978 7.115 10.947 706 HB2 ALA 92 2HB ALA 92 -8.046 6.756 9.561 707 HB3 ALA 92 3HB ALA 92 -7.325 5.433 10.474 708 H LEU 93 H LEU 93 -6.243 7.328 6.906 709 HA LEU 93 HA LEU 93 -5.091 10.023 7.191 710 HB2 LEU 93 1HB LEU 93 -3.425 9.578 5.593 711 HB3 LEU 93 2HB LEU 93 -3.405 8.082 6.537 712 HG LEU 93 HG LEU 93 -4.479 8.213 3.884 713 HD11 LEU 93 1HD1 LEU 93 -2.046 7.059 4.894 714 HD12 LEU 93 2HD1 LEU 93 -2.294 8.555 3.968 715 HD13 LEU 93 3HD1 LEU 93 -2.729 7.052 3.213 716 HD21 LEU 93 3HD2 LEU 93 -5.200 5.993 4.027 717 HD22 LEU 93 1HD2 LEU 93 -6.114 6.964 5.071 718 HD23 LEU 93 2HD2 LEU 93 -4.829 5.976 5.788 719 H GLN 94 H GLN 94 -5.135 10.624 4.376 720 HA GLN 94 HA GLN 94 -7.996 10.277 3.791 721 HB2 GLN 94 1HB GLN 94 -6.967 12.637 4.232 722 HB3 GLN 94 2HB GLN 94 -6.095 12.412 2.724 723 HG2 GLN 94 1HG GLN 94 -7.923 13.717 2.126 724 HG3 GLN 94 2HG GLN 94 -8.411 12.112 1.593 725 HE21 GLN 94 1HE2 GLN 94 -10.202 11.007 2.844 726 HE22 GLN 94 2HE2 GLN 94 -11.111 11.969 3.990 727 H VAL 95 H VAL 95 -8.682 9.453 1.839 728 HA VAL 95 HA VAL 95 -6.697 9.121 -0.332 729 HB VAL 95 HB VAL 95 -8.608 7.005 0.760 730 HG11 VAL 95 1HG1 VAL 95 -8.593 6.827 -1.668 731 HG12 VAL 95 2HG1 VAL 95 -6.814 6.844 -1.696 732 HG13 VAL 95 3HG1 VAL 95 -7.701 5.487 -0.968 733 HG21 VAL 95 3HG2 VAL 95 -6.545 7.101 2.071 734 HG22 VAL 95 1HG2 VAL 95 -6.522 5.652 1.061 735 HG23 VAL 95 2HG2 VAL 95 -5.569 7.075 0.590 736 H GLN 96 H GLN 96 -7.589 9.714 -2.327 737 HA GLN 96 HA GLN 96 -10.272 10.887 -2.486 738 HB2 GLN 96 1HB GLN 96 -8.558 12.029 -3.618 739 HB3 GLN 96 2HB GLN 96 -7.895 10.556 -4.360 740 HG2 GLN 96 1HG GLN 96 -9.759 10.362 -5.840 741 HG3 GLN 96 2HG GLN 96 -10.674 11.601 -4.988 742 HE21 GLN 96 1HE2 GLN 96 -10.831 13.479 -6.067 743 HE22 GLN 96 2HE2 GLN 96 -9.703 13.996 -7.328 744 H VAL 97 H VAL 97 -11.862 10.066 -3.918 745 HA VAL 97 HA VAL 97 -11.860 7.213 -4.636 746 HB VAL 97 HB VAL 97 -13.981 9.407 -4.738 747 HG11 VAL 97 1HG1 VAL 97 -15.587 7.663 -5.212 748 HG12 VAL 97 2HG1 VAL 97 -14.358 7.658 -6.478 749 HG13 VAL 97 3HG1 VAL 97 -14.312 6.425 -5.193 750 HG21 VAL 97 3HG2 VAL 97 -13.511 7.066 -2.833 751 HG22 VAL 97 1HG2 VAL 97 -13.535 8.806 -2.441 752 HG23 VAL 97 2HG2 VAL 97 -15.023 7.986 -2.914 753 H LEU 98 H LEU 98 -10.927 6.800 -6.485 754 HA LEU 98 HA LEU 98 -10.819 8.736 -8.764 755 HB2 LEU 98 1HB LEU 98 -9.202 6.438 -7.827 756 HB3 LEU 98 2HB LEU 98 -9.576 6.341 -9.525 757 HG LEU 98 HG LEU 98 -8.486 8.473 -9.950 758 HD11 LEU 98 1HD1 LEU 98 -8.970 9.735 -7.935 759 HD12 LEU 98 2HD1 LEU 98 -7.219 9.599 -8.096 760 HD13 LEU 98 3HD1 LEU 98 -8.073 8.582 -6.927 761 HD21 LEU 98 3HD2 LEU 98 -6.187 7.813 -9.330 762 HD22 LEU 98 1HD2 LEU 98 -7.123 6.392 -9.814 763 HD23 LEU 98 2HD2 LEU 98 -6.809 6.693 -8.102 764 H GLU 99 H GLU 99 -12.604 5.979 -7.546 765 HA GLU 99 HA GLU 99 -14.637 6.112 -9.435 766 HB2 GLU 99 1HB GLU 99 -12.426 4.294 -10.127 767 HB3 GLU 99 2HB GLU 99 -13.850 3.358 -9.688 768 HG2 GLU 99 1HG GLU 99 -15.204 4.474 -11.260 769 HG3 GLU 99 2HG GLU 99 -13.933 5.633 -11.703 770 H TRP 100 H TRP 100 -16.347 4.520 -8.626 771 HA TRP 100 HA TRP 100 -15.758 3.319 -5.983 772 HB2 TRP 100 1HB TRP 100 -16.619 5.656 -5.630 773 HB3 TRP 100 2HB TRP 100 -18.116 5.193 -6.422 774 HD1 TRP 100 HD TRP 100 -19.923 4.009 -4.783 775 HE1 TRP 100 1HE TRP 100 -19.829 2.932 -2.555 776 HE3 TRP 100 3HE TRP 100 -14.859 4.364 -3.847 777 HZ2 TRP 100 2HZ TRP 100 -17.906 2.252 -0.518 778 HZ3 TRP 100 3HZ TRP 100 -13.943 3.394 -1.781 779 HH2 TRP 100 HH TRP 100 -15.448 2.277 -0.112 780 H GLU 101 H GLU 101 -16.482 1.216 -6.103 781 HA GLU 101 HA GLU 101 -18.695 0.659 -7.997 782 HB2 GLU 101 1HB GLU 101 -16.259 -1.063 -7.338 783 HB3 GLU 101 2HB GLU 101 -17.577 -1.502 -8.421 784 HG2 GLU 101 1HG GLU 101 -15.472 0.624 -8.836 785 HG3 GLU 101 2HG GLU 101 -15.720 -0.849 -9.764 786 H GLY 102 H GLY 102 -19.833 1.224 -5.835 787 HA2 GLY 102 2HA GLY 102 -21.686 -0.505 -5.723 788 HA3 GLY 102 1HA GLY 102 -20.626 -1.362 -4.594 789 H ASP 103 H ASP 103 -23.158 -0.456 -3.984 790 HA ASP 103 HA ASP 103 -23.572 2.161 -3.332 791 HB2 ASP 103 1HB ASP 103 -25.244 0.134 -3.269 792 HB3 ASP 103 2HB ASP 103 -24.678 0.015 -1.568 793 H GLY 104 H GLY 104 -23.671 3.378 -1.454 794 HA2 GLY 104 2HA GLY 104 -22.903 3.963 0.774 795 HA3 GLY 104 1HA GLY 104 -21.776 2.593 0.706 796 H ASP 105 H ASP 105 -22.638 5.363 -1.259 797 HA ASP 105 HA ASP 105 -20.169 5.840 -2.516 798 HB2 ASP 105 1HB ASP 105 -22.093 5.871 -3.862 799 HB3 ASP 105 2HB ASP 105 -22.976 6.912 -2.736 800 HA PRO 106 HA PRO 106 -19.647 8.516 1.064 801 HB2 PRO 106 1HB PRO 106 -16.923 8.519 1.267 802 HB3 PRO 106 2HB PRO 106 -17.907 7.055 1.553 803 HG2 PRO 106 1HG PRO 106 -16.419 7.833 -0.963 804 HG3 PRO 106 2HG PRO 106 -16.477 6.240 -0.142 805 HD2 PRO 106 1HD PRO 106 -18.074 6.947 -2.292 806 HD3 PRO 106 2HD PRO 106 -18.463 5.694 -1.089 807 H GLY 107 H GLY 107 -18.949 9.445 -2.180 808 HA2 GLY 107 2HA GLY 107 -18.894 11.643 -3.003 809 HA3 GLY 107 1HA GLY 107 -18.369 12.250 -1.421 810 H ASP 108 H ASP 108 -16.749 13.157 -3.150 811 HA ASP 108 HA ASP 108 -15.015 11.513 -4.569 812 HB2 ASP 108 1HB ASP 108 -15.490 13.981 -4.929 813 HB3 ASP 108 2HB ASP 108 -14.304 14.303 -3.656 814 H SER 109 H SER 109 -14.801 11.917 -1.126 815 HA SER 109 HA SER 109 -12.111 10.731 -1.270 816 HB2 SER 109 1HB SER 109 -11.343 12.190 0.624 817 HB3 SER 109 2HB SER 109 -11.487 12.986 -0.941 818 HG SER 109 HG SER 109 -13.656 13.596 -0.172 819 H VAL 110 H VAL 110 -11.426 9.683 0.707 820 HA VAL 110 HA VAL 110 -13.562 8.963 2.602 821 HB VAL 110 HB VAL 110 -13.140 6.604 2.302 822 HG11 VAL 110 1HG1 VAL 110 -14.177 6.202 0.179 823 HG12 VAL 110 2HG1 VAL 110 -14.849 7.640 0.982 824 HG13 VAL 110 3HG1 VAL 110 -13.744 7.813 -0.387 825 HG21 VAL 110 3HG2 VAL 110 -10.775 6.579 1.527 826 HG22 VAL 110 1HG2 VAL 110 -11.813 5.673 0.417 827 HG23 VAL 110 2HG2 VAL 110 -11.270 7.296 -0.023 828 H GLN 111 H GLN 111 -12.713 8.034 4.537 829 HA GLN 111 HA GLN 111 -9.782 8.277 4.976 830 HB2 GLN 111 1HB GLN 111 -10.996 9.489 6.656 831 HB3 GLN 111 2HB GLN 111 -12.083 8.124 6.967 832 HG2 GLN 111 1HG GLN 111 -10.568 7.052 8.287 833 HG3 GLN 111 2HG GLN 111 -9.224 7.388 7.195 834 HE21 GLN 111 1HE2 GLN 111 -7.805 8.893 7.681 835 HE22 GLN 111 2HE2 GLN 111 -7.944 10.104 8.929 836 H CYS 112 H CYS 112 -8.958 6.459 4.214 837 HA CYS 112 HA CYS 112 -10.239 3.819 4.778 838 HB2 CYS 112 1HB CYS 112 -8.245 4.714 2.644 839 HB3 CYS 112 2HB CYS 112 -8.317 3.034 3.190 840 HG CYS 112 HG CYS 112 -9.610 3.029 1.021 841 H PHE 113 H PHE 113 -8.436 2.206 5.391 842 HA PHE 113 HA PHE 113 -6.430 3.487 7.139 843 HB2 PHE 113 1HB PHE 113 -7.018 0.542 6.702 844 HB3 PHE 113 2HB PHE 113 -5.915 1.218 7.868 845 HD1 PHE 113 2HD PHE 113 -6.812 2.894 9.594 846 HD2 PHE 113 1HD PHE 113 -9.378 0.280 7.305 847 HE1 PHE 113 2HE PHE 113 -8.746 3.462 11.078 848 HE2 PHE 113 1HE PHE 113 -11.275 0.857 8.765 849 HZ PHE 113 HZ PHE 113 -10.980 2.481 10.631 850 H VAL 114 H VAL 114 -4.302 3.446 6.701 851 HA VAL 114 HA VAL 114 -3.234 2.167 4.318 852 HB VAL 114 HB VAL 114 -3.144 5.211 4.742 853 HG11 VAL 114 1HG1 VAL 114 -1.300 5.213 3.075 854 HG12 VAL 114 2HG1 VAL 114 -0.769 4.548 4.605 855 HG13 VAL 114 3HG1 VAL 114 -1.113 3.442 3.260 856 HG21 VAL 114 3HG2 VAL 114 -4.714 4.015 3.149 857 HG22 VAL 114 1HG2 VAL 114 -3.721 5.349 2.572 858 HG23 VAL 114 2HG2 VAL 114 -3.231 3.677 2.200 859 H TYR 115 H TYR 115 -1.481 1.015 4.983 860 HA TYR 115 HA TYR 115 -0.368 1.440 7.663 861 HB2 TYR 115 1HB TYR 115 0.242 -0.476 5.404 862 HB3 TYR 115 2HB TYR 115 1.395 -0.244 6.723 863 HD1 TYR 115 2HD TYR 115 0.969 -1.108 8.968 864 HD2 TYR 115 1HD TYR 115 -1.809 -1.631 5.755 865 HE1 TYR 115 2HE TYR 115 -0.305 -2.738 10.352 866 HE2 TYR 115 1HE TYR 115 -3.103 -3.299 7.154 867 HH TYR 115 HH TYR 115 -2.069 -4.214 10.425 868 H THR 116 H THR 116 1.587 2.436 8.143 869 HA THR 116 HA THR 116 3.057 3.798 5.994 870 HB THR 116 HB THR 116 2.948 5.882 7.384 871 HG1 THR 116 1HG THR 116 2.389 4.969 9.418 872 HG21 THR 116 3HG2 THR 116 0.183 4.819 6.664 873 HG22 THR 116 1HG2 THR 116 1.350 5.523 5.516 874 HG23 THR 116 2HG2 THR 116 0.641 6.495 6.809 875 H THR 117 H THR 117 4.989 5.108 7.417 876 HA THR 117 HA THR 117 5.770 3.450 9.711 877 HB THR 117 HB THR 117 7.210 2.471 8.122 878 HG1 THR 117 1HG THR 117 9.275 3.187 8.780 879 HG21 THR 117 3HG2 THR 117 8.217 5.154 7.164 880 HG22 THR 117 1HG2 THR 117 6.943 4.281 6.330 881 HG23 THR 117 2HG2 THR 117 8.519 3.514 6.502 882 H ALA 118 H ALA 118 6.607 4.587 11.333 883 HA ALA 118 HA ALA 118 7.007 7.517 11.023 884 HB1 ALA 118 1HB ALA 118 5.152 6.991 12.493 885 HB2 ALA 118 2HB ALA 118 6.185 5.919 13.472 886 HB3 ALA 118 3HB ALA 118 6.496 7.668 13.425 887 H THR 119 H THR 119 8.708 4.503 11.529 888 HA THR 119 HA THR 119 10.845 5.778 13.084 889 HB THR 119 HB THR 119 11.464 3.511 13.639 890 HG1 THR 119 1HG THR 119 11.144 2.157 12.104 891 HG21 THR 119 3HG2 THR 119 9.505 4.461 14.881 892 HG22 THR 119 1HG2 THR 119 9.413 2.699 14.725 893 HG23 THR 119 2HG2 THR 119 8.402 3.711 13.699 894 H TYR 120 H TYR 120 10.416 6.048 10.059 895 HA TYR 120 HA TYR 120 12.206 4.512 8.609 896 HB2 TYR 120 1HB TYR 120 11.968 6.424 6.919 897 HB3 TYR 120 2HB TYR 120 10.528 5.588 7.489 898 HD1 TYR 120 2HD TYR 120 12.460 8.754 7.783 899 HD2 TYR 120 1HD TYR 120 8.809 6.696 8.764 900 HE1 TYR 120 2HE TYR 120 11.470 10.892 8.653 901 HE2 TYR 120 1HE TYR 120 7.800 8.819 9.533 902 HH TYR 120 HH TYR 120 8.523 10.871 10.483 903 H ALA 121 H ALA 121 14.139 4.875 7.591 904 HA ALA 121 HA ALA 121 16.261 5.843 9.207 905 HB1 ALA 121 1HB ALA 121 16.215 5.175 6.227 906 HB2 ALA 121 2HB ALA 121 17.640 5.168 7.279 907 HB3 ALA 121 3HB ALA 121 16.362 3.964 7.507 908 HA PRO 122 HA PRO 122 16.469 10.008 7.712 909 HB2 PRO 122 1HB PRO 122 19.153 10.652 7.884 910 HB3 PRO 122 2HB PRO 122 18.084 10.474 9.308 911 HG2 PRO 122 1HG PRO 122 19.942 8.418 8.099 912 HG3 PRO 122 2HG PRO 122 19.775 8.866 9.821 913 HD2 PRO 122 1HD PRO 122 18.528 6.681 8.804 914 HD3 PRO 122 2HD PRO 122 17.718 7.717 10.013 915 H GLU 123 H GLU 123 18.586 7.664 6.142 916 HA GLU 123 HA GLU 123 19.128 9.242 3.803 917 HB2 GLU 123 1HB GLU 123 19.664 7.094 2.750 918 HB3 GLU 123 2HB GLU 123 20.434 7.229 4.320 919 HG2 GLU 123 1HG GLU 123 19.220 5.480 5.211 920 HG3 GLU 123 2HG GLU 123 17.783 5.992 4.555 921 H TRP 124 H TRP 124 16.220 7.450 4.782 922 HA TRP 124 HA TRP 124 15.278 7.153 2.107 923 HB2 TRP 124 1HB TRP 124 13.824 7.011 4.765 924 HB3 TRP 124 2HB TRP 124 13.131 6.555 3.227 925 HD1 TRP 124 HD TRP 124 16.566 5.245 3.101 926 HE1 TRP 124 1HE TRP 124 16.613 2.737 3.604 927 HE3 TRP 124 3HE TRP 124 11.867 4.725 4.955 928 HZ2 TRP 124 2HZ TRP 124 14.979 0.818 4.981 929 HZ3 TRP 124 3HZ TRP 124 11.162 2.551 5.984 930 HH2 TRP 124 HH TRP 124 12.744 0.622 6.048 931 H LEU 125 H LEU 125 15.328 9.897 4.185 932 HA LEU 125 HA LEU 125 13.071 11.251 2.886 933 HB2 LEU 125 1HB LEU 125 15.348 12.286 4.627 934 HB3 LEU 125 2HB LEU 125 14.086 13.291 3.967 935 HG LEU 125 HG LEU 125 13.601 12.910 6.238 936 HD11 LEU 125 1HD1 LEU 125 11.645 11.239 4.623 937 HD12 LEU 125 2HD1 LEU 125 11.642 13.015 4.786 938 HD13 LEU 125 3HD1 LEU 125 11.351 12.000 6.200 939 HD21 LEU 125 3HD2 LEU 125 14.877 10.748 6.409 940 HD22 LEU 125 1HD2 LEU 125 13.412 9.923 5.836 941 HD23 LEU 125 2HD2 LEU 125 13.379 10.866 7.343 942 H PHE 126 H PHE 126 16.443 10.618 2.102 943 HA PHE 126 HA PHE 126 16.694 12.978 0.377 944 HB2 PHE 126 1HB PHE 126 18.550 10.600 0.662 945 HB3 PHE 126 2HB PHE 126 18.932 12.163 -0.025 946 HD1 PHE 126 2HD PHE 126 17.488 13.754 2.396 947 HD2 PHE 126 1HD PHE 126 20.459 10.639 2.124 948 HE1 PHE 126 2HE PHE 126 18.401 14.449 4.571 949 HE2 PHE 126 1HE PHE 126 21.362 11.323 4.325 950 HZ PHE 126 HZ PHE 126 20.342 13.232 5.560 951 H LEU 127 H LEU 127 15.548 9.722 0.110 952 HA LEU 127 HA LEU 127 16.383 9.115 -2.540 953 HB2 LEU 127 1HB LEU 127 13.969 8.145 -0.973 954 HB3 LEU 127 2HB LEU 127 14.528 7.399 -2.449 955 HG LEU 127 HG LEU 127 16.121 7.533 0.138 956 HD11 LEU 127 1HD1 LEU 127 14.683 5.199 -1.191 957 HD12 LEU 127 2HD1 LEU 127 14.151 6.044 0.276 958 HD13 LEU 127 3HD1 LEU 127 15.662 5.122 0.291 959 HD21 LEU 127 3HD2 LEU 127 17.651 7.452 -1.760 960 HD22 LEU 127 1HD2 LEU 127 16.743 6.094 -2.475 961 HD23 LEU 127 2HD2 LEU 127 17.626 5.892 -0.947 962 HA PRO 128 HA PRO 128 13.499 11.504 -4.926 963 HB2 PRO 128 1HB PRO 128 13.272 10.069 -7.237 964 HB3 PRO 128 2HB PRO 128 14.773 10.932 -6.775 965 HG2 PRO 128 1HG PRO 128 14.126 7.993 -6.441 966 HG3 PRO 128 2HG PRO 128 15.642 8.734 -7.045 967 HD2 PRO 128 1HD PRO 128 15.284 7.883 -4.453 968 HD3 PRO 128 2HD PRO 128 16.354 9.248 -4.850 969 H TYR 129 H TYR 129 11.271 11.601 -5.303 970 HA TYR 129 HA TYR 129 9.724 9.523 -3.938 971 HB2 TYR 129 1HB TYR 129 8.811 12.088 -5.260 972 HB3 TYR 129 2HB TYR 129 7.910 11.156 -4.068 973 HD1 TYR 129 2HD TYR 129 10.366 10.711 -2.155 974 HD2 TYR 129 1HD TYR 129 8.779 14.165 -4.174 975 HE1 TYR 129 2HE TYR 129 11.296 12.155 -0.386 976 HE2 TYR 129 1HE TYR 129 9.661 15.634 -2.385 977 HH TYR 129 HH TYR 129 11.254 14.368 0.531 978 H HIS 130 H HIS 130 7.658 8.763 -4.821 979 HA HIS 130 HA HIS 130 7.415 8.595 -7.766 980 HB2 HIS 130 1HB HIS 130 7.317 6.296 -5.753 981 HB3 HIS 130 2HB HIS 130 6.866 6.180 -7.447 982 HD1 HIS 130 1HD HIS 130 8.718 5.004 -8.785 983 HD2 HIS 130 2HD HIS 130 10.140 7.127 -5.422 984 HE1 HIS 130 1HE HIS 130 11.265 4.869 -8.854 985 H GLU 131 H GLU 131 5.285 8.038 -8.395 986 HA GLU 131 HA GLU 131 3.141 8.968 -6.551 987 HB2 GLU 131 1HB GLU 131 3.654 8.735 -9.505 988 HB3 GLU 131 2HB GLU 131 1.967 8.587 -8.968 989 HG2 GLU 131 1HG GLU 131 2.165 10.737 -7.774 990 HG3 GLU 131 2HG GLU 131 3.816 10.924 -8.389 991 H SER 132 H SER 132 4.603 6.080 -7.405 992 HA SER 132 HA SER 132 2.460 4.338 -6.592 993 HB2 SER 132 1HB SER 132 1.962 3.412 -8.842 994 HB3 SER 132 2HB SER 132 1.568 5.085 -8.788 995 HG SER 132 HG SER 132 2.857 5.453 -10.311 996 H TYR 133 H TYR 133 3.203 1.950 -7.721 997 HA TYR 133 HA TYR 133 6.018 1.421 -7.216 998 HB2 TYR 133 1HB TYR 133 5.168 -0.137 -5.264 999 HB3 TYR 133 2HB TYR 133 5.599 1.529 -5.017 1000 HD1 TYR 133 2HD TYR 133 2.265 0.547 -6.373 1001 HD2 TYR 133 1HD TYR 133 4.640 1.878 -3.052 1002 HE1 TYR 133 2HE TYR 133 0.197 1.321 -5.188 1003 HE2 TYR 133 1HE TYR 133 2.578 2.527 -1.798 1004 HH TYR 133 HH TYR 133 -0.417 1.635 -2.464 1005 H ASP 134 H ASP 134 5.152 0.980 -9.478 1006 HA ASP 134 HA ASP 134 3.236 -1.275 -9.560 1007 HB2 ASP 134 1HB ASP 134 3.750 1.082 -11.347 1008 HB3 ASP 134 2HB ASP 134 2.730 -0.274 -11.800 1009 H SER 135 H SER 135 3.929 -3.162 -10.232 1010 HA SER 135 HA SER 135 6.623 -3.702 -10.483 1011 HB2 SER 135 1HB SER 135 4.631 -5.300 -10.026 1012 HB3 SER 135 2HB SER 135 4.533 -5.492 -11.773 1013 HG SER 135 HG SER 135 6.214 -6.664 -11.759 1014 H GLU 136 H GLU 136 4.298 -2.978 -13.113 1015 HA GLU 136 HA GLU 136 6.319 -3.661 -15.093 1016 HB2 GLU 136 1HB GLU 136 4.545 -3.301 -16.757 1017 HB3 GLU 136 2HB GLU 136 4.128 -4.496 -15.534 1018 HG2 GLU 136 1HG GLU 136 2.778 -2.858 -14.320 1019 HG3 GLU 136 2HG GLU 136 3.159 -1.601 -15.512 1020 H GLY 137 H GLY 137 6.292 -1.170 -13.170 1021 HA2 GLY 137 2HA GLY 137 5.898 1.144 -14.768 1022 HA3 GLY 137 1HA GLY 137 6.727 1.046 -13.210 1023 HA PRO 138 HA PRO 138 9.769 1.771 -16.775 1024 HB2 PRO 138 1HB PRO 138 10.231 4.439 -16.588 1025 HB3 PRO 138 2HB PRO 138 8.827 3.788 -17.478 1026 HG2 PRO 138 1HG PRO 138 8.895 4.812 -14.618 1027 HG3 PRO 138 2HG PRO 138 7.761 5.276 -15.929 1028 HD2 PRO 138 1HD PRO 138 7.151 3.370 -14.072 1029 HD3 PRO 138 2HD PRO 138 6.628 3.218 -15.775 1030 H HIS 139 H HIS 139 9.539 2.240 -13.375 1031 HA HIS 139 HA HIS 139 12.025 3.501 -13.010 1032 HB2 HIS 139 1HB HIS 139 10.509 2.051 -10.861 1033 HB3 HIS 139 2HB HIS 139 11.515 3.492 -10.690 1034 HD1 HIS 139 1HD HIS 139 10.238 5.843 -11.863 1035 HD2 HIS 139 2HD HIS 139 8.015 2.357 -11.019 1036 HE1 HIS 139 1HE HIS 139 7.814 6.543 -11.818 1037 H GLY 140 H GLY 140 11.396 0.174 -13.357 1038 HA2 GLY 140 2HA GLY 140 12.913 -1.598 -13.384 1039 HA3 GLY 140 1HA GLY 140 14.184 -0.475 -12.944 1040 H LEU 141 H LEU 141 12.608 0.324 -10.443 1041 HA LEU 141 HA LEU 141 13.576 -1.634 -8.617 1042 HB2 LEU 141 1HB LEU 141 12.105 -0.236 -6.952 1043 HB3 LEU 141 2HB LEU 141 13.614 0.324 -7.613 1044 HG LEU 141 HG LEU 141 12.238 1.708 -9.274 1045 HD11 LEU 141 1HD1 LEU 141 10.076 1.052 -7.226 1046 HD12 LEU 141 2HD1 LEU 141 10.020 0.771 -8.976 1047 HD13 LEU 141 3HD1 LEU 141 10.008 2.417 -8.357 1048 HD21 LEU 141 3HD2 LEU 141 13.027 2.161 -6.498 1049 HD22 LEU 141 1HD2 LEU 141 11.669 3.192 -6.954 1050 HD23 LEU 141 2HD2 LEU 141 13.158 3.197 -7.908 1051 H ARG 142 H ARG 142 12.741 -3.681 -8.576 1052 HA ARG 142 HA ARG 142 9.784 -3.917 -8.523 1053 HB2 ARG 142 1HB ARG 142 11.548 -6.048 -9.745 1054 HB3 ARG 142 2HB ARG 142 9.834 -5.817 -9.945 1055 HG2 ARG 142 1HG ARG 142 12.104 -4.370 -11.287 1056 HG3 ARG 142 2HG ARG 142 10.918 -5.423 -11.996 1057 HD2 ARG 142 1HD ARG 142 9.148 -3.704 -11.563 1058 HD3 ARG 142 2HD ARG 142 10.364 -2.628 -10.919 1059 HE ARG 142 HE ARG 142 10.906 -1.948 -12.992 1060 HH11 ARG 142 1HH1 ARG 142 8.895 -4.750 -13.470 1061 HH12 ARG 142 2HH1 ARG 142 9.460 -5.203 -15.039 1062 HH21 ARG 142 1HH2 ARG 142 11.579 -2.343 -15.249 1063 HH22 ARG 142 2HH2 ARG 142 10.890 -3.682 -16.099 1064 H TYR 143 H TYR 143 8.920 -5.434 -7.110 1065 HA TYR 143 HA TYR 143 10.569 -6.016 -4.803 1066 HB2 TYR 143 1HB TYR 143 8.008 -6.006 -4.706 1067 HB3 TYR 143 2HB TYR 143 8.044 -7.543 -5.516 1068 HD1 TYR 143 1HD TYR 143 9.746 -5.913 -2.468 1069 HD2 TYR 143 2HD TYR 143 7.707 -9.365 -4.075 1070 HE1 TYR 143 1HE TYR 143 10.053 -7.090 -0.354 1071 HE2 TYR 143 2HE TYR 143 7.838 -10.459 -1.878 1072 HH TYR 143 HH TYR 143 8.657 -10.338 0.285 1073 H ASN 144 H ASN 144 11.470 -7.974 -4.078 1074 HA ASN 144 HA ASN 144 11.864 -10.099 -6.146 1075 HB2 ASN 144 1HB ASN 144 13.937 -8.331 -4.901 1076 HB3 ASN 144 2HB ASN 144 14.294 -10.051 -5.034 1077 HD21 ASN 144 1HD2 ASN 144 13.257 -7.232 -7.117 1078 HD22 ASN 144 2HD2 ASN 144 13.962 -7.940 -8.541 1079 HA PRO 145 HA PRO 145 10.675 -11.964 -2.072 1080 HB2 PRO 145 1HB PRO 145 9.034 -13.934 -3.026 1081 HB3 PRO 145 2HB PRO 145 8.484 -12.254 -2.838 1082 HG2 PRO 145 1HG PRO 145 9.600 -13.564 -5.305 1083 HG3 PRO 145 2HG PRO 145 8.063 -12.683 -5.177 1084 HD2 PRO 145 1HD PRO 145 10.321 -11.524 -6.119 1085 HD3 PRO 145 2HD PRO 145 9.249 -10.595 -5.053 1086 H ARG 146 H ARG 146 12.715 -12.817 -4.566 1087 HA ARG 146 HA ARG 146 14.392 -14.276 -4.809 1088 HB2 ARG 146 1HB ARG 146 14.793 -13.565 -2.474 1089 HB3 ARG 146 2HB ARG 146 13.843 -14.953 -1.912 1090 HG2 ARG 146 1HG ARG 146 15.488 -16.460 -2.332 1091 HG3 ARG 146 2HG ARG 146 16.056 -15.622 -3.778 1092 HD2 ARG 146 1HD ARG 146 17.126 -13.895 -2.308 1093 HD3 ARG 146 2HD ARG 146 16.564 -14.793 -0.874 1094 HE ARG 146 HE ARG 146 17.842 -16.701 -2.346 1095 HH11 ARG 146 1HH1 ARG 146 18.948 -13.689 -0.659 1096 HH12 ARG 146 2HH1 ARG 146 20.589 -14.273 -0.657 1097 HH21 ARG 146 1HH2 ARG 146 20.057 -17.177 -2.508 1098 HH22 ARG 146 2HH2 ARG 146 21.178 -16.237 -1.541 1099 H GLU 147 H GLU 147 11.910 -15.110 -5.801 1100 HA GLU 147 HA GLU 147 11.032 -17.608 -5.024 1101 HB2 GLU 147 1HB GLU 147 11.179 -16.573 -7.883 1102 HB3 GLU 147 2HB GLU 147 10.142 -17.840 -7.227 1103 HG2 GLU 147 1HG GLU 147 9.252 -15.952 -5.652 1104 HG3 GLU 147 2HG GLU 147 9.982 -14.894 -6.874 1105 H ASN 148 H ASN 148 13.552 -16.785 -7.346 1106 HA ASN 148 HA ASN 148 14.634 -19.561 -7.284 1107 HB2 ASN 148 1HB ASN 148 14.628 -19.686 -9.700 1108 HB3 ASN 148 2HB ASN 148 12.985 -19.437 -9.104 1109 HD21 ASN 148 1HD2 ASN 148 11.853 -17.398 -9.676 1110 HD22 ASN 148 2HD2 ASN 148 12.627 -16.258 -10.759 1111 H ARG 149 H ARG 149 15.681 -17.162 -6.041 1112 HA ARG 149 HA ARG 149 17.263 -15.613 -7.702 1113 HB2 ARG 149 1HB ARG 149 16.822 -14.888 -5.538 1114 HB3 ARG 149 2HB ARG 149 17.977 -16.094 -4.844 1115 HG2 ARG 149 1HG ARG 149 19.805 -15.023 -6.081 1116 HG3 ARG 149 2HG ARG 149 18.645 -14.020 -6.964 1117 HD2 ARG 149 1HD ARG 149 18.006 -13.264 -4.469 1118 HD3 ARG 149 2HD ARG 149 19.708 -13.677 -4.184 1119 HE ARG 149 HE ARG 149 18.573 -11.446 -5.584 1120 HH11 ARG 149 1HH1 ARG 149 21.469 -13.539 -5.919 1121 HH12 ARG 149 2HH1 ARG 149 22.191 -12.483 -7.088 1122 HH21 ARG 149 1HH2 ARG 149 19.760 -9.931 -6.739 1123 HH22 ARG 149 2HH2 ARG 149 21.319 -10.307 -7.365 Start of MODEL 12 1 H1 MET 1 H MET 1 -16.540 -4.764 4.822 2 HA MET 1 HA MET 1 -17.175 -4.179 7.015 3 HB2 MET 1 1HB MET 1 -14.871 -5.953 7.837 4 HB3 MET 1 2HB MET 1 -15.508 -4.717 8.914 5 HG2 MET 1 1HG MET 1 -17.701 -5.663 8.904 6 HG3 MET 1 2HG MET 1 -17.248 -6.868 7.692 7 HE1 MET 1 3HE MET 1 -18.445 -8.565 9.458 8 HE2 MET 1 1HE MET 1 -17.856 -8.817 11.116 9 HE3 MET 1 2HE MET 1 -18.634 -7.280 10.674 10 H ALA 2 H ALA 2 -13.561 -4.255 6.413 11 HA ALA 2 HA ALA 2 -13.497 -1.419 7.266 12 HB1 ALA 2 1HB ALA 2 -11.072 -1.806 7.449 13 HB2 ALA 2 2HB ALA 2 -11.959 -3.016 8.404 14 HB3 ALA 2 3HB ALA 2 -11.272 -3.457 6.826 15 H HIS 3 H HIS 3 -12.769 0.156 5.831 16 HA HIS 3 HA HIS 3 -12.274 -0.678 3.018 17 HB2 HIS 3 1HB HIS 3 -13.001 2.016 4.242 18 HB3 HIS 3 2HB HIS 3 -12.490 1.781 2.563 19 HD1 HIS 3 1HD HIS 3 -15.697 2.162 4.204 20 HD2 HIS 3 2HD HIS 3 -14.014 -0.585 1.468 21 HE1 HIS 3 1HE HIS 3 -17.621 0.871 3.162 22 H ILE 4 H ILE 4 -10.209 -0.889 2.424 23 HA ILE 4 HA ILE 4 -8.171 0.787 3.764 24 HB ILE 4 HB ILE 4 -6.534 -0.926 3.490 25 HG12 ILE 4 1HG1 ILE 4 -8.711 -2.919 2.768 26 HG13 ILE 4 2HG1 ILE 4 -7.725 -2.116 1.550 27 HG21 ILE 4 1HG2 ILE 4 -7.937 -0.696 5.585 28 HG22 ILE 4 2HG2 ILE 4 -8.839 -2.130 5.066 29 HG23 ILE 4 3HG2 ILE 4 -7.087 -2.231 5.381 30 HD11 ILE 4 3HD1 ILE 4 -6.645 -3.890 3.763 31 HD12 ILE 4 1HD1 ILE 4 -6.823 -4.284 2.038 32 HD13 ILE 4 2HD1 ILE 4 -5.677 -3.028 2.529 33 H PHE 5 H PHE 5 -6.193 0.826 2.233 34 HA PHE 5 HA PHE 5 -7.090 1.128 -0.598 35 HB2 PHE 5 1HB PHE 5 -6.783 3.262 0.595 36 HB3 PHE 5 2HB PHE 5 -5.135 2.800 1.041 37 HD1 PHE 5 1HD PHE 5 -7.441 3.199 -1.841 38 HD2 PHE 5 2HD PHE 5 -3.398 3.567 -0.414 39 HE1 PHE 5 1HE PHE 5 -6.739 4.079 -4.051 40 HE2 PHE 5 2HE PHE 5 -2.734 4.598 -2.555 41 HZ PHE 5 HZ PHE 5 -4.355 4.787 -4.410 42 H VAL 6 H VAL 6 -5.675 0.149 -2.113 43 HA VAL 6 HA VAL 6 -3.736 -1.715 -0.897 44 HB VAL 6 HB VAL 6 -3.270 -2.397 -3.284 45 HG11 VAL 6 1HG1 VAL 6 -5.360 -3.720 -3.467 46 HG12 VAL 6 2HG1 VAL 6 -4.635 -3.752 -1.850 47 HG13 VAL 6 3HG1 VAL 6 -6.052 -2.745 -2.129 48 HG21 VAL 6 3HG2 VAL 6 -5.858 -0.978 -3.944 49 HG22 VAL 6 1HG2 VAL 6 -4.245 -0.417 -4.476 50 HG23 VAL 6 2HG2 VAL 6 -4.882 -1.989 -5.004 51 H TYR 7 H TYR 7 -1.600 -1.443 -0.876 52 HA TYR 7 HA TYR 7 -0.403 1.082 -1.488 53 HB2 TYR 7 1HB TYR 7 0.513 -0.286 0.259 54 HB3 TYR 7 2HB TYR 7 0.679 -1.668 -0.804 55 HD1 TYR 7 1HD TYR 7 1.785 1.958 -0.679 56 HD2 TYR 7 2HD TYR 7 2.763 -2.116 -1.735 57 HE1 TYR 7 1HE TYR 7 3.839 2.745 -1.816 58 HE2 TYR 7 2HE TYR 7 4.779 -1.336 -2.905 59 HH TYR 7 HH TYR 7 5.819 0.501 -3.765 60 H GLY 8 H GLY 8 -0.938 -1.721 -3.512 61 HA2 GLY 8 2HA GLY 8 -0.426 -1.023 -6.074 62 HA3 GLY 8 1HA GLY 8 1.196 -0.909 -5.415 63 H THR 9 H THR 9 0.555 -3.170 -3.430 64 HA THR 9 HA THR 9 1.784 -5.126 -5.024 65 HB THR 9 HB THR 9 1.550 -6.125 -2.462 66 HG1 THR 9 1HG THR 9 1.099 -4.514 -1.114 67 HG21 THR 9 3HG2 THR 9 3.664 -5.578 -3.952 68 HG22 THR 9 1HG2 THR 9 3.825 -5.314 -2.219 69 HG23 THR 9 2HG2 THR 9 3.539 -3.949 -3.318 70 H LEU 10 H LEU 10 -1.407 -4.551 -4.209 71 HA LEU 10 HA LEU 10 -2.406 -7.308 -4.838 72 HB2 LEU 10 1HB LEU 10 -3.215 -5.015 -2.989 73 HB3 LEU 10 2HB LEU 10 -4.312 -6.284 -3.388 74 HG LEU 10 HG LEU 10 -3.354 -6.452 -1.179 75 HD11 LEU 10 1HD1 LEU 10 -2.159 -8.921 -2.262 76 HD12 LEU 10 2HD1 LEU 10 -3.796 -8.577 -2.851 77 HD13 LEU 10 3HD1 LEU 10 -3.479 -8.690 -1.114 78 HD21 LEU 10 3HD2 LEU 10 -1.233 -7.023 -0.565 79 HD22 LEU 10 1HD2 LEU 10 -1.148 -5.566 -1.561 80 HD23 LEU 10 2HD2 LEU 10 -0.670 -7.156 -2.238 81 H LYS 11 H LYS 11 -1.736 -5.472 -6.975 82 HA LYS 11 HA LYS 11 -4.429 -4.624 -7.882 83 HB2 LYS 11 1HB LYS 11 -3.436 -2.768 -6.566 84 HB3 LYS 11 2HB LYS 11 -2.150 -2.610 -7.758 85 HG2 LYS 11 1HG LYS 11 -5.131 -2.260 -8.224 86 HG3 LYS 11 2HG LYS 11 -3.976 -0.968 -8.044 87 HD2 LYS 11 1HD LYS 11 -2.852 -2.184 -10.200 88 HD3 LYS 11 2HD LYS 11 -4.527 -2.739 -10.406 89 HE2 LYS 11 1HE LYS 11 -4.540 -0.808 -11.649 90 HE3 LYS 11 2HE LYS 11 -5.060 -0.162 -10.090 91 HZ1 LYS 11 3HZ LYS 11 -2.315 -0.019 -11.255 92 HZ2 LYS 11 1HZ LYS 11 -2.628 0.293 -9.698 93 HZ3 LYS 11 2HZ LYS 11 -3.293 1.249 -10.817 94 H ARG 12 H ARG 12 -1.199 -3.728 -9.385 95 HA ARG 12 HA ARG 12 -2.209 -4.455 -11.913 96 HB2 ARG 12 1HB ARG 12 -0.529 -2.729 -11.498 97 HB3 ARG 12 2HB ARG 12 0.594 -3.958 -10.926 98 HG2 ARG 12 1HG ARG 12 1.405 -3.849 -13.035 99 HG3 ARG 12 2HG ARG 12 0.113 -4.989 -13.351 100 HD2 ARG 12 1HD ARG 12 -1.353 -3.056 -14.015 101 HD3 ARG 12 2HD ARG 12 0.046 -1.986 -13.813 102 HE ARG 12 HE ARG 12 1.227 -3.246 -15.564 103 HH11 ARG 12 1HH1 ARG 12 -2.317 -3.483 -15.618 104 HH12 ARG 12 2HH1 ARG 12 -2.362 -4.216 -17.175 105 HH21 ARG 12 1HH2 ARG 12 1.190 -4.234 -17.484 106 HH22 ARG 12 2HH2 ARG 12 -0.317 -4.545 -18.356 107 H GLY 13 H GLY 13 0.617 -5.935 -10.426 108 HA2 GLY 13 2HA GLY 13 -0.335 -8.634 -11.229 109 HA3 GLY 13 1HA GLY 13 1.078 -7.890 -11.989 110 H GLN 14 H GLN 14 1.121 -6.762 -8.988 111 HA GLN 14 HA GLN 14 3.607 -7.705 -8.345 112 HB2 GLN 14 1HB GLN 14 1.411 -6.308 -6.934 113 HB3 GLN 14 2HB GLN 14 2.678 -7.027 -5.913 114 HG2 GLN 14 1HG GLN 14 3.156 -4.680 -6.463 115 HG3 GLN 14 2HG GLN 14 4.399 -5.792 -7.012 116 HE21 GLN 14 1HE2 GLN 14 1.569 -3.864 -8.275 117 HE22 GLN 14 2HE2 GLN 14 2.324 -3.668 -9.865 118 HA PRO 15 HA PRO 15 3.695 -11.801 -7.018 119 HB2 PRO 15 1HB PRO 15 5.333 -11.504 -4.701 120 HB3 PRO 15 2HB PRO 15 5.857 -11.723 -6.398 121 HG2 PRO 15 1HG PRO 15 5.408 -9.150 -4.857 122 HG3 PRO 15 2HG PRO 15 6.819 -9.532 -5.870 123 HD2 PRO 15 1HD PRO 15 4.963 -8.016 -6.817 124 HD3 PRO 15 2HD PRO 15 5.464 -9.395 -7.848 125 H ASN 16 H ASN 16 2.708 -9.420 -4.667 126 HA ASN 16 HA ASN 16 1.899 -11.236 -2.603 127 HB2 ASN 16 1HB ASN 16 1.269 -8.278 -2.961 128 HB3 ASN 16 2HB ASN 16 1.180 -9.175 -1.439 129 HD21 ASN 16 1HD2 ASN 16 3.177 -7.365 -3.520 130 HD22 ASN 16 2HD2 ASN 16 4.747 -8.075 -3.230 131 H HIS 17 H HIS 17 0.179 -9.871 -5.402 132 HA HIS 17 HA HIS 17 -2.335 -9.553 -4.299 133 HB2 HIS 17 1HB HIS 17 -1.617 -8.874 -6.559 134 HB3 HIS 17 2HB HIS 17 -1.795 -10.534 -7.099 135 HD1 HIS 17 1HD HIS 17 -3.655 -7.547 -7.528 136 HD2 HIS 17 2HD HIS 17 -4.602 -11.413 -6.274 137 HE1 HIS 17 1HE HIS 17 -6.160 -7.726 -7.680 138 H LYS 18 H LYS 18 -0.763 -12.635 -5.106 139 HA LYS 18 HA LYS 18 -2.944 -14.320 -5.226 140 HB2 LYS 18 1HB LYS 18 -1.368 -16.086 -4.855 141 HB3 LYS 18 2HB LYS 18 -0.658 -14.855 -5.864 142 HG2 LYS 18 1HG LYS 18 1.114 -15.167 -4.553 143 HG3 LYS 18 2HG LYS 18 0.358 -13.956 -3.534 144 HD2 LYS 18 1HD LYS 18 -0.419 -15.622 -1.996 145 HD3 LYS 18 2HD LYS 18 -0.199 -16.928 -3.168 146 HE2 LYS 18 1HE LYS 18 2.346 -16.123 -3.116 147 HE3 LYS 18 2HE LYS 18 1.907 -15.544 -1.507 148 HZ1 LYS 18 3HZ LYS 18 1.442 -18.326 -2.413 149 HZ2 LYS 18 1HZ LYS 18 1.348 -17.760 -0.868 150 HZ3 LYS 18 2HZ LYS 18 2.795 -17.865 -1.640 151 H VAL 19 H VAL 19 -1.728 -12.717 -2.310 152 HA VAL 19 HA VAL 19 -2.834 -14.542 -0.443 153 HB VAL 19 HB VAL 19 -2.798 -12.674 1.129 154 HG11 VAL 19 1HG1 VAL 19 -0.414 -12.297 1.104 155 HG12 VAL 19 2HG1 VAL 19 -0.732 -13.965 0.612 156 HG13 VAL 19 3HG1 VAL 19 -0.283 -12.744 -0.600 157 HG21 VAL 19 3HG2 VAL 19 -3.407 -10.698 0.271 158 HG22 VAL 19 1HG2 VAL 19 -1.645 -10.479 0.228 159 HG23 VAL 19 2HG2 VAL 19 -2.519 -10.914 -1.240 160 H MET 20 H MET 20 -4.314 -11.723 -2.178 161 HA MET 20 HA MET 20 -6.781 -12.074 -0.672 162 HB2 MET 20 1HB MET 20 -7.568 -10.187 -1.753 163 HB3 MET 20 2HB MET 20 -5.905 -9.835 -1.336 164 HG2 MET 20 1HG MET 20 -5.251 -9.954 -3.655 165 HG3 MET 20 2HG MET 20 -6.728 -10.760 -4.121 166 HE1 MET 20 3HE MET 20 -5.575 -7.537 -2.224 167 HE2 MET 20 1HE MET 20 -6.578 -6.269 -2.960 168 HE3 MET 20 2HE MET 20 -7.272 -7.377 -1.769 169 H LEU 21 H LEU 21 -5.579 -14.052 -2.910 170 HA LEU 21 HA LEU 21 -8.088 -14.395 -4.464 171 HB2 LEU 21 1HB LEU 21 -5.374 -15.753 -4.731 172 HB3 LEU 21 2HB LEU 21 -6.738 -15.991 -5.789 173 HG LEU 21 HG LEU 21 -5.092 -13.467 -5.518 174 HD11 LEU 21 1HD1 LEU 21 -5.500 -15.440 -7.805 175 HD12 LEU 21 2HD1 LEU 21 -4.083 -15.365 -6.745 176 HD13 LEU 21 3HD1 LEU 21 -4.449 -14.006 -7.807 177 HD21 LEU 21 3HD2 LEU 21 -6.480 -12.613 -7.431 178 HD22 LEU 21 1HD2 LEU 21 -7.382 -12.751 -5.927 179 HD23 LEU 21 2HD2 LEU 21 -7.589 -13.982 -7.199 180 H ASP 22 H ASP 22 -6.697 -15.437 -1.550 181 HA ASP 22 HA ASP 22 -8.262 -17.967 -1.635 182 HB2 ASP 22 1HB ASP 22 -5.609 -17.411 -0.284 183 HB3 ASP 22 2HB ASP 22 -6.670 -18.702 0.228 184 H HIS 23 H HIS 23 -10.042 -17.174 -0.730 185 HA HIS 23 HA HIS 23 -10.301 -15.010 1.071 186 HB2 HIS 23 1HB HIS 23 -12.081 -15.908 -0.350 187 HB3 HIS 23 2HB HIS 23 -12.117 -17.400 0.588 188 HD1 HIS 23 1HD HIS 23 -14.259 -17.341 2.014 189 HD2 HIS 23 2HD HIS 23 -12.378 -13.620 1.569 190 HE1 HIS 23 1HE HIS 23 -15.610 -15.641 3.417 191 H SER 24 H SER 24 -9.253 -18.232 1.723 192 HA SER 24 HA SER 24 -9.640 -18.462 4.504 193 HB2 SER 24 1HB SER 24 -7.322 -19.399 2.965 194 HB3 SER 24 2HB SER 24 -7.959 -20.094 4.456 195 HG SER 24 HG SER 24 -8.591 -21.296 2.602 196 H HIS 25 H HIS 25 -7.419 -16.324 2.717 197 HA HIS 25 HA HIS 25 -5.886 -15.678 5.156 198 HB2 HIS 25 1HB HIS 25 -5.859 -14.344 2.435 199 HB3 HIS 25 2HB HIS 25 -4.687 -14.144 3.731 200 HD1 HIS 25 1HD HIS 25 -4.535 -15.457 0.617 201 HD2 HIS 25 2HD HIS 25 -4.139 -17.317 4.348 202 HE1 HIS 25 1HE HIS 25 -3.039 -17.523 0.241 203 H GLY 26 H GLY 26 -8.859 -14.778 3.594 204 HA2 GLY 26 2HA GLY 26 -10.333 -13.529 5.063 205 HA3 GLY 26 1HA GLY 26 -9.094 -12.272 5.147 206 H LEU 27 H LEU 27 -11.514 -11.596 4.407 207 HA LEU 27 HA LEU 27 -12.109 -11.747 1.620 208 HB2 LEU 27 1HB LEU 27 -13.645 -11.502 3.575 209 HB3 LEU 27 2HB LEU 27 -13.134 -9.833 3.710 210 HG LEU 27 HG LEU 27 -15.361 -10.366 2.661 211 HD11 LEU 27 1HD1 LEU 27 -15.332 -8.577 1.084 212 HD12 LEU 27 2HD1 LEU 27 -13.580 -8.708 0.881 213 HD13 LEU 27 3HD1 LEU 27 -14.257 -8.148 2.424 214 HD21 LEU 27 3HD2 LEU 27 -13.758 -11.091 0.208 215 HD22 LEU 27 1HD2 LEU 27 -15.530 -10.972 0.348 216 HD23 LEU 27 2HD2 LEU 27 -14.652 -12.221 1.233 217 H ALA 28 H ALA 28 -11.770 -10.542 -0.054 218 HA ALA 28 HA ALA 28 -11.014 -7.724 0.272 219 HB1 ALA 28 1HB ALA 28 -8.921 -9.013 -0.169 220 HB2 ALA 28 2HB ALA 28 -9.682 -9.714 -1.622 221 HB3 ALA 28 3HB ALA 28 -9.354 -7.958 -1.542 222 H ALA 29 H ALA 29 -12.231 -6.443 -1.180 223 HA ALA 29 HA ALA 29 -13.405 -7.680 -3.607 224 HB1 ALA 29 1HB ALA 29 -15.599 -6.721 -3.077 225 HB2 ALA 29 2HB ALA 29 -15.126 -7.859 -1.799 226 HB3 ALA 29 3HB ALA 29 -15.007 -6.112 -1.519 227 H PHE 30 H PHE 30 -13.651 -6.147 -5.246 228 HA PHE 30 HA PHE 30 -12.001 -3.726 -5.103 229 HB2 PHE 30 1HB PHE 30 -11.842 -5.122 -7.062 230 HB3 PHE 30 2HB PHE 30 -13.584 -5.103 -7.301 231 HD1 PHE 30 1HD PHE 30 -10.667 -2.693 -7.196 232 HD2 PHE 30 2HD PHE 30 -14.523 -3.668 -8.897 233 HE1 PHE 30 1HE PHE 30 -10.419 -0.890 -8.837 234 HE2 PHE 30 2HE PHE 30 -14.199 -2.001 -10.634 235 HZ PHE 30 HZ PHE 30 -12.078 -0.616 -10.685 236 H ARG 31 H ARG 31 -13.071 -2.414 -3.694 237 HA ARG 31 HA ARG 31 -15.937 -1.794 -4.180 238 HB2 ARG 31 1HB ARG 31 -15.197 -2.536 -1.870 239 HB3 ARG 31 2HB ARG 31 -14.095 -1.169 -1.810 240 HG2 ARG 31 1HG ARG 31 -16.039 -0.646 -0.487 241 HG3 ARG 31 2HG ARG 31 -16.041 0.393 -1.897 242 HD2 ARG 31 1HD ARG 31 -18.280 -0.345 -1.726 243 HD3 ARG 31 2HD ARG 31 -17.536 -1.298 -3.007 244 HE ARG 31 HE ARG 31 -17.638 -2.476 -0.277 245 HH11 ARG 31 1HH1 ARG 31 -19.217 -2.250 -3.437 246 HH12 ARG 31 2HH1 ARG 31 -19.881 -3.832 -3.421 247 HH21 ARG 31 1HH2 ARG 31 -18.428 -4.627 -0.224 248 HH22 ARG 31 2HH2 ARG 31 -19.653 -5.092 -1.380 249 H GLY 32 H GLY 32 -14.845 -0.952 -6.186 250 HA2 GLY 32 2HA GLY 32 -14.612 1.050 -7.406 251 HA3 GLY 32 1HA GLY 32 -14.630 1.936 -5.888 252 H ARG 33 H ARG 33 -12.872 3.089 -6.932 253 HA ARG 33 HA ARG 33 -10.265 1.875 -6.363 254 HB2 ARG 33 1HB ARG 33 -9.273 2.348 -8.459 255 HB3 ARG 33 2HB ARG 33 -10.744 1.376 -8.670 256 HG2 ARG 33 1HG ARG 33 -11.821 3.855 -8.939 257 HG3 ARG 33 2HG ARG 33 -10.154 4.201 -9.459 258 HD2 ARG 33 1HD ARG 33 -10.432 2.058 -10.873 259 HD3 ARG 33 2HD ARG 33 -12.164 2.285 -10.642 260 HE ARG 33 HE ARG 33 -12.109 4.281 -11.886 261 HH11 ARG 33 1HH1 ARG 33 -8.799 2.906 -11.622 262 HH12 ARG 33 2HH1 ARG 33 -8.123 4.049 -12.743 263 HH21 ARG 33 1HH2 ARG 33 -11.168 5.609 -13.565 264 HH22 ARG 33 2HH2 ARG 33 -9.500 5.458 -13.944 265 H GLY 34 H GLY 34 -8.446 3.783 -6.609 266 HA2 GLY 34 2HA GLY 34 -9.477 6.427 -6.151 267 HA3 GLY 34 1HA GLY 34 -9.136 5.565 -4.639 268 H CYS 35 H CYS 35 -7.774 7.774 -5.037 269 HA CYS 35 HA CYS 35 -5.086 6.640 -5.205 270 HB2 CYS 35 1HB CYS 35 -5.315 9.359 -6.400 271 HB3 CYS 35 2HB CYS 35 -4.158 8.182 -6.668 272 HG CYS 35 HG CYS 35 -5.445 8.787 -8.803 273 H THR 36 H THR 36 -3.480 8.253 -4.032 274 HA THR 36 HA THR 36 -4.803 8.942 -1.473 275 HB THR 36 HB THR 36 -2.373 9.379 -0.781 276 HG1 THR 36 1HG THR 36 -1.903 7.826 -3.134 277 HG21 THR 36 3HG2 THR 36 -3.700 7.320 -0.210 278 HG22 THR 36 1HG2 THR 36 -1.964 6.991 -0.394 279 HG23 THR 36 2HG2 THR 36 -3.112 6.576 -1.685 280 H VAL 37 H VAL 37 -5.452 10.994 -1.176 281 HA VAL 37 HA VAL 37 -4.973 12.968 -3.243 282 HB VAL 37 HB VAL 37 -6.211 13.630 -0.545 283 HG11 VAL 37 1HG1 VAL 37 -5.962 15.368 -2.296 284 HG12 VAL 37 2HG1 VAL 37 -6.915 14.364 -3.418 285 HG13 VAL 37 3HG1 VAL 37 -7.659 15.036 -1.945 286 HG21 VAL 37 3HG2 VAL 37 -7.327 11.729 -2.574 287 HG22 VAL 37 1HG2 VAL 37 -7.343 11.639 -0.793 288 HG23 VAL 37 2HG2 VAL 37 -8.413 12.759 -1.640 289 H GLU 38 H GLU 38 -4.037 12.420 0.171 290 HA GLU 38 HA GLU 38 -2.350 14.763 0.285 291 HB2 GLU 38 1HB GLU 38 -2.276 12.245 1.982 292 HB3 GLU 38 2HB GLU 38 -1.494 13.771 2.311 293 HG2 GLU 38 1HG GLU 38 -4.372 13.023 2.555 294 HG3 GLU 38 2HG GLU 38 -3.264 13.724 3.730 295 H SER 39 H SER 39 -0.526 14.901 -0.875 296 HA SER 39 HA SER 39 0.881 12.826 -2.156 297 HB2 SER 39 1HB SER 39 2.107 15.293 -0.875 298 HB3 SER 39 2HB SER 39 2.612 14.487 -2.347 299 HG SER 39 HG SER 39 1.173 15.668 -3.435 300 H PHE 40 H PHE 40 2.589 11.433 -1.415 301 HA PHE 40 HA PHE 40 3.362 11.619 1.485 302 HB2 PHE 40 1HB PHE 40 2.273 9.284 -0.132 303 HB3 PHE 40 2HB PHE 40 3.289 9.059 1.279 304 HD1 PHE 40 1HD PHE 40 2.434 10.584 3.396 305 HD2 PHE 40 2HD PHE 40 -0.001 9.064 0.216 306 HE1 PHE 40 1HE PHE 40 0.425 10.742 4.876 307 HE2 PHE 40 2HE PHE 40 -2.006 9.267 1.641 308 HZ PHE 40 HZ PHE 40 -1.816 10.147 3.974 309 HA PRO 41 HA PRO 41 7.340 10.925 -0.475 310 HB2 PRO 41 1HB PRO 41 8.492 9.950 2.037 311 HB3 PRO 41 2HB PRO 41 8.732 11.525 1.254 312 HG2 PRO 41 1HG PRO 41 7.205 11.226 3.621 313 HG3 PRO 41 2HG PRO 41 7.081 12.575 2.462 314 HD2 PRO 41 1HD PRO 41 5.402 10.107 2.791 315 HD3 PRO 41 2HD PRO 41 4.971 11.796 2.460 316 H LEU 42 H LEU 42 6.730 9.140 -1.813 317 HA LEU 42 HA LEU 42 6.880 6.467 -0.623 318 HB2 LEU 42 1HB LEU 42 5.388 7.376 -2.622 319 HB3 LEU 42 2HB LEU 42 6.763 6.923 -3.604 320 HG LEU 42 HG LEU 42 4.873 5.205 -2.028 321 HD11 LEU 42 1HD1 LEU 42 6.126 4.873 -4.811 322 HD12 LEU 42 2HD1 LEU 42 4.526 5.573 -4.489 323 HD13 LEU 42 3HD1 LEU 42 4.829 3.873 -4.128 324 HD21 LEU 42 3HD2 LEU 42 6.257 3.260 -2.200 325 HD22 LEU 42 1HD2 LEU 42 7.071 4.444 -1.233 326 HD23 LEU 42 2HD2 LEU 42 7.607 4.193 -2.910 327 H VAL 43 H VAL 43 9.282 6.202 0.060 328 HA VAL 43 HA VAL 43 11.313 6.893 -1.805 329 HB VAL 43 HB VAL 43 11.229 5.871 1.087 330 HG11 VAL 43 1HG1 VAL 43 13.130 7.267 -0.392 331 HG12 VAL 43 2HG1 VAL 43 13.195 6.842 1.400 332 HG13 VAL 43 3HG1 VAL 43 13.100 5.544 0.222 333 HG21 VAL 43 3HG2 VAL 43 10.924 8.676 -0.000 334 HG22 VAL 43 1HG2 VAL 43 9.975 7.931 1.280 335 HG23 VAL 43 2HG2 VAL 43 11.671 8.409 1.576 336 H ILE 44 H ILE 44 13.043 5.040 -1.954 337 HA ILE 44 HA ILE 44 11.991 2.357 -1.384 338 HB ILE 44 HB ILE 44 13.459 2.861 -4.006 339 HG12 ILE 44 1HG1 ILE 44 10.481 2.694 -3.476 340 HG13 ILE 44 2HG1 ILE 44 11.346 4.012 -4.195 341 HG21 ILE 44 1HG2 ILE 44 13.484 0.537 -2.795 342 HG22 ILE 44 2HG2 ILE 44 11.777 0.440 -3.229 343 HG23 ILE 44 3HG2 ILE 44 13.023 0.546 -4.485 344 HD11 ILE 44 3HD1 ILE 44 10.039 2.790 -5.823 345 HD12 ILE 44 1HD1 ILE 44 11.746 2.770 -6.212 346 HD13 ILE 44 2HD1 ILE 44 10.951 1.306 -5.511 347 H ALA 45 H ALA 45 13.403 1.231 -0.190 348 HA ALA 45 HA ALA 45 16.265 2.047 -0.150 349 HB1 ALA 45 1HB ALA 45 14.448 1.923 2.271 350 HB2 ALA 45 2HB ALA 45 16.187 2.289 2.245 351 HB3 ALA 45 3HB ALA 45 15.058 3.409 1.507 352 H GLY 46 H GLY 46 17.437 0.647 1.389 353 HA2 GLY 46 2HA GLY 46 17.929 -1.167 2.549 354 HA3 GLY 46 1HA GLY 46 16.352 -1.892 2.212 355 H GLU 47 H GLU 47 17.805 -3.880 1.926 356 HA GLU 47 HA GLU 47 19.289 -4.138 -0.609 357 HB2 GLU 47 1HB GLU 47 20.075 -4.980 1.688 358 HB3 GLU 47 2HB GLU 47 18.719 -6.125 1.609 359 HG2 GLU 47 1HG GLU 47 19.679 -7.155 -0.390 360 HG3 GLU 47 2HG GLU 47 20.977 -5.942 -0.406 361 H HIS 48 H HIS 48 16.125 -4.741 0.575 362 HA HIS 48 HA HIS 48 15.733 -6.830 -1.481 363 HB2 HIS 48 1HB HIS 48 14.119 -6.041 0.935 364 HB3 HIS 48 2HB HIS 48 13.757 -7.394 -0.044 365 HD1 HIS 48 1HD HIS 48 16.461 -8.909 -0.226 366 HD2 HIS 48 2HD HIS 48 14.701 -7.233 3.200 367 HE1 HIS 48 1HE HIS 48 17.501 -10.124 1.770 368 H ASN 49 H ASN 49 15.555 -3.722 -1.571 369 HA ASN 49 HA ASN 49 14.485 -2.155 -2.772 370 HB2 ASN 49 1HB ASN 49 13.288 -4.492 -4.278 371 HB3 ASN 49 2HB ASN 49 13.500 -2.863 -4.870 372 HD21 ASN 49 1HD2 ASN 49 14.513 -4.078 -6.626 373 HD22 ASN 49 2HD2 ASN 49 16.211 -4.404 -6.620 374 H ILE 50 H ILE 50 13.339 -1.983 -0.628 375 HA ILE 50 HA ILE 50 10.538 -2.821 -0.592 376 HB ILE 50 HB ILE 50 12.288 -2.030 1.727 377 HG12 ILE 50 1HG1 ILE 50 11.090 -4.759 1.027 378 HG13 ILE 50 2HG1 ILE 50 12.742 -4.321 0.641 379 HG21 ILE 50 1HG2 ILE 50 9.431 -3.097 1.621 380 HG22 ILE 50 2HG2 ILE 50 10.339 -2.731 3.091 381 HG23 ILE 50 3HG2 ILE 50 9.877 -1.417 2.022 382 HD11 ILE 50 3HD1 ILE 50 13.133 -3.877 3.115 383 HD12 ILE 50 1HD1 ILE 50 11.518 -4.574 3.416 384 HD13 ILE 50 2HD1 ILE 50 12.774 -5.561 2.691 385 HA PRO 51 HA PRO 51 10.134 1.717 -1.399 386 HB2 PRO 51 1HB PRO 51 7.623 1.649 -2.286 387 HB3 PRO 51 2HB PRO 51 8.972 1.196 -3.367 388 HG2 PRO 51 1HG PRO 51 7.154 -0.653 -1.826 389 HG3 PRO 51 2HG PRO 51 7.646 -0.749 -3.543 390 HD2 PRO 51 1HD PRO 51 8.890 -2.170 -1.587 391 HD3 PRO 51 2HD PRO 51 9.780 -1.519 -2.997 392 H TRP 52 H TRP 52 9.301 3.140 0.153 393 HA TRP 52 HA TRP 52 7.466 2.070 2.250 394 HB2 TRP 52 1HB TRP 52 9.819 3.927 2.779 395 HB3 TRP 52 2HB TRP 52 8.689 3.261 3.940 396 HD1 TRP 52 HD TRP 52 11.672 2.201 1.764 397 HE1 TRP 52 1HE TRP 52 12.792 0.157 2.866 398 HE3 TRP 52 3HE TRP 52 8.365 1.328 5.590 399 HZ2 TRP 52 2HZ TRP 52 12.280 -1.692 4.988 400 HZ3 TRP 52 3HZ TRP 52 8.676 -0.567 7.096 401 HH2 TRP 52 HH TRP 52 10.634 -2.125 6.800 402 H LEU 53 H LEU 53 5.776 3.543 2.694 403 HA LEU 53 HA LEU 53 5.632 5.833 0.909 404 HB2 LEU 53 1HB LEU 53 3.822 4.081 1.183 405 HB3 LEU 53 2HB LEU 53 3.658 4.587 2.846 406 HG LEU 53 HG LEU 53 2.892 6.876 2.002 407 HD11 LEU 53 1HD1 LEU 53 2.135 6.980 -0.283 408 HD12 LEU 53 2HD1 LEU 53 2.938 5.427 -0.623 409 HD13 LEU 53 3HD1 LEU 53 3.897 6.865 -0.152 410 HD21 LEU 53 3HD2 LEU 53 1.301 5.446 2.824 411 HD22 LEU 53 1HD2 LEU 53 1.280 4.410 1.367 412 HD23 LEU 53 2HD2 LEU 53 0.670 6.107 1.342 413 H LEU 54 H LEU 54 6.977 5.580 3.612 414 HA LEU 54 HA LEU 54 7.229 6.662 5.803 415 HB2 LEU 54 1HB LEU 54 7.879 8.689 3.696 416 HB3 LEU 54 2HB LEU 54 8.451 8.709 5.366 417 HG LEU 54 HG LEU 54 9.268 6.898 3.110 418 HD11 LEU 54 1HD1 LEU 54 10.784 8.521 5.226 419 HD12 LEU 54 2HD1 LEU 54 10.404 9.053 3.579 420 HD13 LEU 54 3HD1 LEU 54 11.495 7.666 3.839 421 HD21 LEU 54 3HD2 LEU 54 8.802 5.310 4.844 422 HD22 LEU 54 1HD2 LEU 54 9.596 6.332 6.058 423 HD23 LEU 54 2HD2 LEU 54 10.563 5.545 4.792 424 H TYR 55 H TYR 55 5.414 6.954 7.043 425 HA TYR 55 HA TYR 55 3.160 8.131 6.163 426 HB2 TYR 55 1HB TYR 55 3.360 6.743 8.227 427 HB3 TYR 55 2HB TYR 55 4.158 8.078 9.039 428 HD1 TYR 55 2HD TYR 55 1.080 8.088 6.801 429 HD2 TYR 55 1HD TYR 55 2.730 8.695 10.759 430 HE1 TYR 55 2HE TYR 55 -1.090 9.078 7.577 431 HE2 TYR 55 1HE TYR 55 0.587 9.645 11.511 432 HH TYR 55 HH TYR 55 -1.416 10.945 10.197 433 H LEU 56 H LEU 56 3.299 10.189 5.086 434 HA LEU 56 HA LEU 56 3.544 12.529 6.842 435 HB2 LEU 56 1HB LEU 56 5.847 11.658 5.763 436 HB3 LEU 56 2HB LEU 56 5.346 12.867 4.649 437 HG LEU 56 HG LEU 56 6.096 13.097 7.572 438 HD11 LEU 56 1HD1 LEU 56 7.414 13.717 5.590 439 HD12 LEU 56 2HD1 LEU 56 7.059 15.120 6.657 440 HD13 LEU 56 3HD1 LEU 56 6.057 14.851 5.196 441 HD21 LEU 56 3HD2 LEU 56 3.988 14.165 8.023 442 HD22 LEU 56 1HD2 LEU 56 3.922 14.896 6.399 443 HD23 LEU 56 2HD2 LEU 56 5.058 15.484 7.630 444 HA PRO 57 HA PRO 57 0.381 13.070 3.512 445 HB2 PRO 57 1HB PRO 57 -1.201 14.824 4.914 446 HB3 PRO 57 2HB PRO 57 -1.306 13.035 5.004 447 HG2 PRO 57 1HG PRO 57 0.046 14.942 6.915 448 HG3 PRO 57 2HG PRO 57 -0.971 13.513 7.284 449 HD2 PRO 57 1HD PRO 57 1.767 13.482 7.333 450 HD3 PRO 57 2HD PRO 57 0.879 12.038 6.846 451 H GLY 58 H GLY 58 0.443 14.642 1.961 452 HA2 GLY 58 2HA GLY 58 0.413 16.776 1.071 453 HA3 GLY 58 1HA GLY 58 0.757 17.442 2.661 454 H LYS 59 H LYS 59 2.918 14.844 1.660 455 HA LYS 59 HA LYS 59 4.969 16.799 0.718 456 HB2 LYS 59 1HB LYS 59 4.778 15.659 3.303 457 HB3 LYS 59 2HB LYS 59 5.953 14.634 2.503 458 HG2 LYS 59 1HG LYS 59 6.069 17.671 2.464 459 HG3 LYS 59 2HG LYS 59 6.770 16.731 3.772 460 HD2 LYS 59 1HD LYS 59 7.606 16.190 0.914 461 HD3 LYS 59 2HD LYS 59 8.323 17.479 1.880 462 HE2 LYS 59 1HE LYS 59 8.643 15.603 3.709 463 HE3 LYS 59 2HE LYS 59 8.368 14.488 2.363 464 HZ1 LYS 59 3HZ LYS 59 10.589 14.765 2.253 465 HZ2 LYS 59 1HZ LYS 59 10.597 16.297 2.850 466 HZ3 LYS 59 2HZ LYS 59 10.181 16.059 1.294 467 H GLY 60 H GLY 60 6.092 15.949 -1.137 468 HA2 GLY 60 2HA GLY 60 7.006 14.310 -2.461 469 HA3 GLY 60 1HA GLY 60 6.250 13.024 -1.499 470 H HIS 61 H HIS 61 4.598 11.914 -2.660 471 HA HIS 61 HA HIS 61 3.348 13.349 -4.975 472 HB2 HIS 61 1HB HIS 61 4.911 10.764 -4.876 473 HB3 HIS 61 2HB HIS 61 3.759 11.080 -6.149 474 HD1 HIS 61 1HD HIS 61 4.371 13.916 -7.155 475 HD2 HIS 61 2HD HIS 61 7.236 11.026 -6.014 476 HE1 HIS 61 1HE HIS 61 6.531 14.509 -8.362 477 H CYS 62 H CYS 62 1.604 12.149 -5.965 478 HA CYS 62 HA CYS 62 -0.119 11.013 -3.869 479 HB2 CYS 62 1HB CYS 62 -0.785 12.044 -6.660 480 HB3 CYS 62 2HB CYS 62 -1.941 11.536 -5.475 481 HG CYS 62 HG CYS 62 0.157 13.526 -4.199 482 H VAL 63 H VAL 63 0.262 8.932 -3.625 483 HA VAL 63 HA VAL 63 0.946 7.181 -5.749 484 HB VAL 63 HB VAL 63 0.267 6.480 -2.909 485 HG11 VAL 63 1HG1 VAL 63 0.437 4.559 -4.486 486 HG12 VAL 63 2HG1 VAL 63 2.045 5.127 -4.970 487 HG13 VAL 63 3HG1 VAL 63 1.777 4.555 -3.316 488 HG21 VAL 63 3HG2 VAL 63 1.967 8.124 -2.702 489 HG22 VAL 63 1HG2 VAL 63 2.850 6.590 -2.667 490 HG23 VAL 63 2HG2 VAL 63 2.830 7.553 -4.153 491 H THR 64 H THR 64 -0.609 7.010 -7.259 492 HA THR 64 HA THR 64 -3.308 6.515 -6.737 493 HB THR 64 HB THR 64 -3.620 6.187 -9.041 494 HG1 THR 64 1HG THR 64 -0.836 5.671 -9.364 495 HG21 THR 64 3HG2 THR 64 -1.181 7.995 -8.930 496 HG22 THR 64 1HG2 THR 64 -2.815 8.456 -8.400 497 HG23 THR 64 2HG2 THR 64 -2.535 8.012 -10.082 498 H GLY 65 H GLY 65 -4.759 4.629 -7.156 499 HA2 GLY 65 2HA GLY 65 -3.692 1.983 -7.334 500 HA3 GLY 65 1HA GLY 65 -3.958 2.382 -5.647 501 H GLU 66 H GLU 66 -5.628 0.953 -5.275 502 HA GLU 66 HA GLU 66 -8.204 1.578 -6.510 503 HB2 GLU 66 1HB GLU 66 -6.937 -1.152 -6.244 504 HB3 GLU 66 2HB GLU 66 -8.691 -0.935 -6.439 505 HG2 GLU 66 1HG GLU 66 -8.326 0.171 -8.613 506 HG3 GLU 66 2HG GLU 66 -6.584 -0.012 -8.430 507 H ILE 67 H ILE 67 -10.017 0.333 -5.012 508 HA ILE 67 HA ILE 67 -9.196 0.761 -2.186 509 HB ILE 67 HB ILE 67 -11.817 1.437 -3.577 510 HG12 ILE 67 1HG1 ILE 67 -9.757 3.225 -2.204 511 HG13 ILE 67 2HG1 ILE 67 -9.949 3.067 -3.938 512 HG21 ILE 67 1HG2 ILE 67 -12.227 0.501 -1.330 513 HG22 ILE 67 2HG2 ILE 67 -11.049 1.622 -0.617 514 HG23 ILE 67 3HG2 ILE 67 -12.573 2.208 -1.343 515 HD11 ILE 67 3HD1 ILE 67 -12.303 3.884 -3.747 516 HD12 ILE 67 1HD1 ILE 67 -11.988 4.251 -2.034 517 HD13 ILE 67 2HD1 ILE 67 -11.061 5.070 -3.294 518 H TYR 68 H TYR 68 -9.144 -1.170 -1.234 519 HA TYR 68 HA TYR 68 -11.069 -3.215 -2.162 520 HB2 TYR 68 1HB TYR 68 -8.349 -3.618 -0.969 521 HB3 TYR 68 2HB TYR 68 -9.613 -4.850 -0.901 522 HD1 TYR 68 1HD TYR 68 -7.822 -2.628 -3.337 523 HD2 TYR 68 2HD TYR 68 -10.192 -6.172 -2.806 524 HE1 TYR 68 1HE TYR 68 -7.596 -3.132 -5.730 525 HE2 TYR 68 2HE TYR 68 -10.023 -6.654 -5.234 526 HH TYR 68 HH TYR 68 -8.443 -4.322 -7.501 527 H GLU 69 H GLU 69 -12.744 -3.340 -1.041 528 HA GLU 69 HA GLU 69 -12.943 -2.695 1.811 529 HB2 GLU 69 1HB GLU 69 -14.904 -2.582 0.330 530 HB3 GLU 69 2HB GLU 69 -14.680 -4.278 -0.129 531 HG2 GLU 69 1HG GLU 69 -15.053 -4.896 2.278 532 HG3 GLU 69 2HG GLU 69 -15.317 -3.178 2.624 533 H VAL 70 H VAL 70 -12.449 -4.197 3.391 534 HA VAL 70 HA VAL 70 -11.863 -6.985 2.638 535 HB VAL 70 HB VAL 70 -9.851 -6.968 4.034 536 HG11 VAL 70 1HG1 VAL 70 -9.591 -4.873 1.852 537 HG12 VAL 70 2HG1 VAL 70 -8.310 -5.908 2.519 538 HG13 VAL 70 3HG1 VAL 70 -9.626 -6.623 1.593 539 HG21 VAL 70 3HG2 VAL 70 -8.740 -4.882 4.724 540 HG22 VAL 70 1HG2 VAL 70 -10.190 -3.967 4.265 541 HG23 VAL 70 2HG2 VAL 70 -10.260 -5.173 5.574 542 H ASP 71 H ASP 71 -11.664 -8.278 4.727 543 HA ASP 71 HA ASP 71 -13.475 -7.176 6.813 544 HB2 ASP 71 1HB ASP 71 -13.248 -10.027 5.889 545 HB3 ASP 71 2HB ASP 71 -13.878 -9.584 7.490 546 H GLU 72 H GLU 72 -13.010 -8.299 8.967 547 HA GLU 72 HA GLU 72 -10.619 -7.276 9.923 548 HB2 GLU 72 1HB GLU 72 -12.844 -8.848 10.946 549 HB3 GLU 72 2HB GLU 72 -11.333 -9.476 11.615 550 HG2 GLU 72 1HG GLU 72 -10.715 -7.291 12.471 551 HG3 GLU 72 2HG GLU 72 -12.072 -6.557 11.628 552 H GLN 73 H GLN 73 -11.296 -10.676 8.977 553 HA GLN 73 HA GLN 73 -8.940 -11.797 9.754 554 HB2 GLN 73 1HB GLN 73 -10.945 -13.020 8.903 555 HB3 GLN 73 2HB GLN 73 -10.584 -12.404 7.291 556 HG2 GLN 73 1HG GLN 73 -9.922 -14.752 7.527 557 HG3 GLN 73 2HG GLN 73 -8.544 -13.735 7.180 558 HE21 GLN 73 1HE2 GLN 73 -7.098 -13.151 8.943 559 HE22 GLN 73 2HE2 GLN 73 -6.993 -14.175 10.380 560 H MET 74 H MET 74 -9.538 -9.983 6.709 561 HA MET 74 HA MET 74 -6.904 -10.724 5.587 562 HB2 MET 74 1HB MET 74 -8.731 -10.271 4.032 563 HB3 MET 74 2HB MET 74 -9.135 -8.822 4.815 564 HG2 MET 74 1HG MET 74 -7.995 -8.407 2.698 565 HG3 MET 74 2HG MET 74 -7.088 -7.707 4.028 566 HE1 MET 74 3HE MET 74 -5.898 -11.660 1.907 567 HE2 MET 74 1HE MET 74 -7.095 -11.631 3.225 568 HE3 MET 74 2HE MET 74 -7.483 -10.842 1.704 569 H LEU 75 H LEU 75 -8.407 -7.811 7.088 570 HA LEU 75 HA LEU 75 -6.073 -6.210 6.869 571 HB2 LEU 75 1HB LEU 75 -8.654 -5.840 7.892 572 HB3 LEU 75 2HB LEU 75 -7.656 -5.718 9.338 573 HG LEU 75 HG LEU 75 -7.391 -4.100 6.770 574 HD11 LEU 75 1HD1 LEU 75 -9.306 -3.558 8.343 575 HD12 LEU 75 2HD1 LEU 75 -8.178 -2.215 8.048 576 HD13 LEU 75 3HD1 LEU 75 -8.095 -3.129 9.565 577 HD21 LEU 75 3HD2 LEU 75 -5.718 -3.893 9.317 578 HD22 LEU 75 1HD2 LEU 75 -5.751 -2.676 8.027 579 HD23 LEU 75 2HD2 LEU 75 -5.150 -4.294 7.686 580 H ARG 76 H ARG 76 -7.040 -8.532 9.423 581 HA ARG 76 HA ARG 76 -4.874 -8.163 11.218 582 HB2 ARG 76 1HB ARG 76 -6.853 -10.403 10.542 583 HB3 ARG 76 2HB ARG 76 -5.659 -10.593 11.772 584 HG2 ARG 76 1HG ARG 76 -8.176 -9.722 12.263 585 HG3 ARG 76 2HG ARG 76 -6.746 -9.572 13.307 586 HD2 ARG 76 1HD ARG 76 -6.340 -7.307 12.405 587 HD3 ARG 76 2HD ARG 76 -7.751 -7.549 11.385 588 HE ARG 76 HE ARG 76 -9.152 -7.545 13.375 589 HH11 ARG 76 1HH1 ARG 76 -5.701 -7.247 14.257 590 HH12 ARG 76 2HH1 ARG 76 -6.106 -7.169 15.915 591 HH21 ARG 76 1HH2 ARG 76 -9.582 -6.770 15.473 592 HH22 ARG 76 2HH2 ARG 76 -8.280 -6.427 16.543 593 H PHE 77 H PHE 77 -5.376 -10.368 8.432 594 HA PHE 77 HA PHE 77 -2.934 -11.769 8.759 595 HB2 PHE 77 1HB PHE 77 -4.666 -12.690 7.400 596 HB3 PHE 77 2HB PHE 77 -4.797 -11.250 6.417 597 HD1 PHE 77 2HD PHE 77 -3.140 -10.673 4.723 598 HD2 PHE 77 1HD PHE 77 -2.800 -14.309 6.999 599 HE1 PHE 77 2HE PHE 77 -1.692 -11.620 2.974 600 HE2 PHE 77 1HE PHE 77 -1.515 -15.358 5.166 601 HZ PHE 77 HZ PHE 77 -0.925 -14.011 3.136 602 H LEU 78 H LEU 78 -3.743 -8.882 6.767 603 HA LEU 78 HA LEU 78 -1.194 -8.483 5.688 604 HB2 LEU 78 1HB LEU 78 -3.230 -6.404 6.455 605 HB3 LEU 78 2HB LEU 78 -1.818 -6.076 5.451 606 HG LEU 78 HG LEU 78 -4.078 -7.980 4.714 607 HD11 LEU 78 1HD1 LEU 78 -3.467 -5.178 3.717 608 HD12 LEU 78 2HD1 LEU 78 -4.821 -5.635 4.799 609 HD13 LEU 78 3HD1 LEU 78 -4.763 -6.239 3.137 610 HD21 LEU 78 3HD2 LEU 78 -1.977 -8.607 3.591 611 HD22 LEU 78 1HD2 LEU 78 -1.811 -6.959 2.987 612 HD23 LEU 78 2HD2 LEU 78 -3.185 -8.007 2.468 613 H ASP 79 H ASP 79 -2.344 -7.457 8.923 614 HA ASP 79 HA ASP 79 -0.083 -5.872 9.606 615 HB2 ASP 79 1HB ASP 79 -2.373 -6.265 10.855 616 HB3 ASP 79 2HB ASP 79 -1.544 -7.585 11.625 617 H ASP 80 H ASP 80 -0.363 -9.276 9.213 618 HA ASP 80 HA ASP 80 2.149 -9.974 10.654 619 HB2 ASP 80 1HB ASP 80 0.062 -11.162 11.206 620 HB3 ASP 80 2HB ASP 80 -0.085 -11.732 9.538 621 H PHE 81 H PHE 81 1.265 -8.858 7.558 622 HA PHE 81 HA PHE 81 2.886 -10.868 6.103 623 HB2 PHE 81 1HB PHE 81 0.463 -10.472 5.434 624 HB3 PHE 81 2HB PHE 81 0.919 -8.805 5.054 625 HD1 PHE 81 2HD PHE 81 2.611 -8.353 3.209 626 HD2 PHE 81 1HD PHE 81 1.010 -12.280 3.973 627 HE1 PHE 81 2HE PHE 81 3.330 -9.090 0.960 628 HE2 PHE 81 1HE PHE 81 1.783 -13.023 1.715 629 HZ PHE 81 HZ PHE 81 2.898 -11.422 0.205 630 H GLU 82 H GLU 82 2.274 -7.420 6.780 631 HA GLU 82 HA GLU 82 4.982 -6.770 5.745 632 HB2 GLU 82 1HB GLU 82 4.142 -4.483 5.622 633 HB3 GLU 82 2HB GLU 82 3.420 -5.619 4.498 634 HG2 GLU 82 1HG GLU 82 1.696 -5.393 6.831 635 HG3 GLU 82 2HG GLU 82 2.192 -3.785 6.375 636 H ASP 83 H ASP 83 4.393 -8.029 8.243 637 HA ASP 83 HA ASP 83 5.462 -8.122 10.274 638 HB2 ASP 83 1HB ASP 83 7.388 -6.382 8.705 639 HB3 ASP 83 2HB ASP 83 7.783 -7.277 10.168 640 H CYS 84 H CYS 84 3.460 -6.188 10.503 641 HA CYS 84 HA CYS 84 4.631 -3.738 11.639 642 HB2 CYS 84 1HB CYS 84 1.812 -4.740 11.230 643 HB3 CYS 84 2HB CYS 84 2.181 -3.123 11.833 644 HG CYS 84 HG CYS 84 3.546 -4.401 9.086 645 HA PRO 85 HA PRO 85 3.648 -2.127 13.233 646 HB2 PRO 85 1HB PRO 85 4.482 -1.078 15.605 647 HB3 PRO 85 2HB PRO 85 2.789 -1.455 15.172 648 HG2 PRO 85 1HG PRO 85 4.731 -3.180 16.716 649 HG3 PRO 85 2HG PRO 85 3.034 -2.770 17.145 650 HD2 PRO 85 1HD PRO 85 3.609 -5.116 15.914 651 HD3 PRO 85 2HD PRO 85 2.159 -4.181 15.461 652 H SER 86 H SER 86 6.094 -4.397 13.971 653 HA SER 86 HA SER 86 8.469 -3.085 14.296 654 HB2 SER 86 1HB SER 86 7.605 -5.654 13.291 655 HB3 SER 86 2HB SER 86 9.015 -5.071 12.382 656 HG SER 86 HG SER 86 9.947 -5.942 14.055 657 H MET 87 H MET 87 7.232 -3.866 10.943 658 HA MET 87 HA MET 87 9.282 -1.972 9.948 659 HB2 MET 87 1HB MET 87 7.384 -3.807 8.471 660 HB3 MET 87 2HB MET 87 8.505 -2.671 7.711 661 HG2 MET 87 1HG MET 87 10.320 -3.873 9.117 662 HG3 MET 87 2HG MET 87 9.157 -5.192 9.205 663 HE1 MET 87 3HE MET 87 7.751 -4.291 6.233 664 HE2 MET 87 1HE MET 87 8.574 -5.378 5.095 665 HE3 MET 87 2HE MET 87 7.918 -6.015 6.617 666 H TYR 88 H TYR 88 5.653 -2.391 9.564 667 HA TYR 88 HA TYR 88 5.562 0.527 9.065 668 HB2 TYR 88 1HB TYR 88 3.709 -1.564 7.928 669 HB3 TYR 88 2HB TYR 88 3.566 0.165 7.741 670 HD1 TYR 88 2HD TYR 88 5.458 -2.852 6.807 671 HD2 TYR 88 1HD TYR 88 4.971 1.374 6.122 672 HE1 TYR 88 2HE TYR 88 6.826 -3.016 4.753 673 HE2 TYR 88 1HE TYR 88 6.291 1.214 4.045 674 HH TYR 88 HH TYR 88 7.490 -1.964 2.894 675 H GLN 89 H GLN 89 3.092 1.169 9.757 676 HA GLN 89 HA GLN 89 2.135 -0.440 12.041 677 HB2 GLN 89 1HB GLN 89 2.538 2.600 11.965 678 HB3 GLN 89 2HB GLN 89 1.643 1.707 13.195 679 HG2 GLN 89 1HG GLN 89 3.591 1.915 14.317 680 HG3 GLN 89 2HG GLN 89 3.937 0.400 13.508 681 HE21 GLN 89 1HE2 GLN 89 5.936 0.333 12.481 682 HE22 GLN 89 2HE2 GLN 89 6.926 1.720 12.081 683 H ARG 90 H ARG 90 -0.233 -0.202 12.202 684 HA ARG 90 HA ARG 90 -1.433 0.448 9.588 685 HB2 ARG 90 1HB ARG 90 -2.288 -1.482 10.783 686 HB3 ARG 90 2HB ARG 90 -2.738 -0.505 12.156 687 HG2 ARG 90 1HG ARG 90 -3.776 0.221 9.375 688 HG3 ARG 90 2HG ARG 90 -4.503 -1.155 10.179 689 HD2 ARG 90 1HD ARG 90 -4.599 1.729 11.103 690 HD3 ARG 90 2HD ARG 90 -5.912 0.644 10.612 691 HE ARG 90 HE ARG 90 -4.656 -0.635 12.741 692 HH11 ARG 90 1HH1 ARG 90 -6.891 1.899 12.094 693 HH12 ARG 90 2HH1 ARG 90 -7.418 2.121 13.724 694 HH21 ARG 90 1HH2 ARG 90 -5.379 -0.466 14.934 695 HH22 ARG 90 2HH2 ARG 90 -6.443 0.803 15.412 696 H THR 91 H THR 91 -1.769 2.487 9.111 697 HA THR 91 HA THR 91 -2.497 4.436 11.194 698 HB THR 91 HB THR 91 -1.396 5.092 8.448 699 HG1 THR 91 1HG THR 91 0.160 4.247 10.708 700 HG21 THR 91 3HG2 THR 91 -1.208 6.341 11.223 701 HG22 THR 91 1HG2 THR 91 -1.930 7.015 9.726 702 HG23 THR 91 2HG2 THR 91 -0.180 6.796 9.859 703 H ALA 92 H ALA 92 -3.870 6.269 10.188 704 HA ALA 92 HA ALA 92 -5.806 5.319 8.117 705 HB1 ALA 92 1HB ALA 92 -6.852 5.402 10.360 706 HB2 ALA 92 2HB ALA 92 -6.286 7.075 10.571 707 HB3 ALA 92 3HB ALA 92 -7.462 6.696 9.307 708 H LEU 93 H LEU 93 -6.318 6.817 6.492 709 HA LEU 93 HA LEU 93 -5.368 9.575 6.628 710 HB2 LEU 93 1HB LEU 93 -3.841 9.518 4.929 711 HB3 LEU 93 2HB LEU 93 -3.437 8.142 5.909 712 HG LEU 93 HG LEU 93 -3.106 7.257 3.825 713 HD11 LEU 93 1HD1 LEU 93 -4.581 5.719 4.913 714 HD12 LEU 93 2HD1 LEU 93 -4.865 5.782 3.154 715 HD13 LEU 93 3HD1 LEU 93 -6.002 6.548 4.236 716 HD21 LEU 93 3HD2 LEU 93 -5.543 8.421 2.617 717 HD22 LEU 93 1HD2 LEU 93 -4.091 7.781 1.855 718 HD23 LEU 93 2HD2 LEU 93 -4.035 9.343 2.693 719 H GLN 94 H GLN 94 -5.872 10.604 4.378 720 HA GLN 94 HA GLN 94 -8.696 9.943 3.677 721 HB2 GLN 94 1HB GLN 94 -8.088 12.241 4.535 722 HB3 GLN 94 2HB GLN 94 -7.110 12.473 3.103 723 HG2 GLN 94 1HG GLN 94 -9.132 13.534 2.653 724 HG3 GLN 94 2HG GLN 94 -9.277 12.038 1.736 725 HE21 GLN 94 1HE2 GLN 94 -10.999 10.506 2.405 726 HE22 GLN 94 2HE2 GLN 94 -12.189 11.012 3.578 727 H VAL 95 H VAL 95 -9.210 9.077 1.674 728 HA VAL 95 HA VAL 95 -7.219 9.205 -0.531 729 HB VAL 95 HB VAL 95 -9.023 6.937 0.390 730 HG11 VAL 95 1HG1 VAL 95 -6.930 6.842 -1.804 731 HG12 VAL 95 2HG1 VAL 95 -7.994 5.535 -1.255 732 HG13 VAL 95 3HG1 VAL 95 -8.688 6.920 -2.083 733 HG21 VAL 95 3HG2 VAL 95 -5.994 7.325 0.583 734 HG22 VAL 95 1HG2 VAL 95 -7.132 7.052 1.913 735 HG23 VAL 95 2HG2 VAL 95 -6.784 5.759 0.778 736 H GLN 96 H GLN 96 -8.187 9.330 -2.700 737 HA GLN 96 HA GLN 96 -10.738 10.745 -2.806 738 HB2 GLN 96 1HB GLN 96 -8.987 12.011 -3.885 739 HB3 GLN 96 2HB GLN 96 -8.325 10.541 -4.658 740 HG2 GLN 96 1HG GLN 96 -10.411 10.436 -6.024 741 HG3 GLN 96 2HG GLN 96 -11.000 11.892 -5.222 742 HE21 GLN 96 1HE2 GLN 96 -11.170 12.525 -7.526 743 HE22 GLN 96 2HE2 GLN 96 -9.782 13.324 -8.289 744 H VAL 97 H VAL 97 -12.249 9.823 -4.099 745 HA VAL 97 HA VAL 97 -11.953 6.913 -4.515 746 HB VAL 97 HB VAL 97 -13.350 8.191 -2.743 747 HG11 VAL 97 1HG1 VAL 97 -15.492 8.656 -4.536 748 HG12 VAL 97 2HG1 VAL 97 -14.958 9.255 -2.898 749 HG13 VAL 97 3HG1 VAL 97 -14.079 9.753 -4.340 750 HG21 VAL 97 3HG2 VAL 97 -13.739 5.739 -3.167 751 HG22 VAL 97 1HG2 VAL 97 -15.258 6.593 -2.824 752 HG23 VAL 97 2HG2 VAL 97 -14.822 6.149 -4.490 753 H LEU 98 H LEU 98 -11.254 6.785 -6.572 754 HA LEU 98 HA LEU 98 -12.108 8.546 -8.738 755 HB2 LEU 98 1HB LEU 98 -10.202 6.290 -8.391 756 HB3 LEU 98 2HB LEU 98 -11.015 6.306 -9.973 757 HG LEU 98 HG LEU 98 -10.286 8.762 -10.233 758 HD11 LEU 98 1HD1 LEU 98 -8.800 8.012 -7.701 759 HD12 LEU 98 2HD1 LEU 98 -9.980 9.320 -7.979 760 HD13 LEU 98 3HD1 LEU 98 -8.387 9.383 -8.764 761 HD21 LEU 98 3HD2 LEU 98 -9.081 6.899 -11.337 762 HD22 LEU 98 1HD2 LEU 98 -8.130 6.596 -9.876 763 HD23 LEU 98 2HD2 LEU 98 -7.970 8.132 -10.754 764 H GLU 99 H GLU 99 -13.371 5.536 -7.338 765 HA GLU 99 HA GLU 99 -15.710 5.767 -8.921 766 HB2 GLU 99 1HB GLU 99 -13.778 4.393 -10.157 767 HB3 GLU 99 2HB GLU 99 -14.241 3.109 -9.057 768 HG2 GLU 99 1HG GLU 99 -16.467 3.091 -10.026 769 HG3 GLU 99 2HG GLU 99 -16.109 4.555 -10.970 770 H TRP 100 H TRP 100 -17.272 4.469 -7.788 771 HA TRP 100 HA TRP 100 -16.514 3.129 -5.237 772 HB2 TRP 100 1HB TRP 100 -17.157 5.462 -4.687 773 HB3 TRP 100 2HB TRP 100 -18.738 5.191 -5.435 774 HD1 TRP 100 HD TRP 100 -20.541 3.915 -3.943 775 HE1 TRP 100 1HE TRP 100 -20.587 2.886 -1.633 776 HE3 TRP 100 3HE TRP 100 -15.559 4.175 -2.921 777 HZ2 TRP 100 2HZ TRP 100 -18.685 2.412 0.535 778 HZ3 TRP 100 3HZ TRP 100 -14.673 3.341 -0.736 779 HH2 TRP 100 HH TRP 100 -16.213 2.483 0.986 780 H GLU 101 H GLU 101 -17.183 1.079 -5.637 781 HA GLU 101 HA GLU 101 -19.604 0.631 -7.299 782 HB2 GLU 101 1HB GLU 101 -17.437 -1.304 -6.329 783 HB3 GLU 101 2HB GLU 101 -18.820 -1.709 -7.375 784 HG2 GLU 101 1HG GLU 101 -16.561 0.232 -8.060 785 HG3 GLU 101 2HG GLU 101 -16.646 -1.431 -8.598 786 H GLY 102 H GLY 102 -21.407 0.776 -6.107 787 HA2 GLY 102 2HA GLY 102 -22.873 -0.802 -4.932 788 HA3 GLY 102 1HA GLY 102 -21.574 -1.070 -3.756 789 H ASP 103 H ASP 103 -23.567 -0.499 -2.430 790 HA ASP 103 HA ASP 103 -24.509 2.211 -2.345 791 HB2 ASP 103 1HB ASP 103 -25.678 0.117 -1.489 792 HB3 ASP 103 2HB ASP 103 -24.536 0.151 -0.132 793 H GLY 104 H GLY 104 -24.257 3.627 -0.559 794 HA2 GLY 104 2HA GLY 104 -23.415 4.476 1.396 795 HA3 GLY 104 1HA GLY 104 -22.242 3.162 1.481 796 H ASP 105 H ASP 105 -22.985 5.904 -0.540 797 HA ASP 105 HA ASP 105 -20.377 6.340 -1.543 798 HB2 ASP 105 1HB ASP 105 -22.122 6.369 -3.097 799 HB3 ASP 105 2HB ASP 105 -23.101 7.469 -2.109 800 HA PRO 106 HA PRO 106 -19.848 9.402 1.882 801 HB2 PRO 106 1HB PRO 106 -17.162 9.437 1.960 802 HB3 PRO 106 2HB PRO 106 -18.105 8.040 2.552 803 HG2 PRO 106 1HG PRO 106 -16.854 8.364 -0.205 804 HG3 PRO 106 2HG PRO 106 -16.698 6.994 0.937 805 HD2 PRO 106 1HD PRO 106 -18.477 6.936 -1.041 806 HD3 PRO 106 2HD PRO 106 -18.799 6.240 0.570 807 H GLY 107 H GLY 107 -19.680 9.870 -1.449 808 HA2 GLY 107 2HA GLY 107 -19.410 11.758 -2.709 809 HA3 GLY 107 1HA GLY 107 -18.777 12.650 -1.302 810 H ASP 108 H ASP 108 -17.218 13.085 -3.217 811 HA ASP 108 HA ASP 108 -15.446 11.142 -4.233 812 HB2 ASP 108 1HB ASP 108 -16.151 13.624 -4.986 813 HB3 ASP 108 2HB ASP 108 -14.793 14.085 -3.932 814 H SER 109 H SER 109 -15.229 11.903 -1.159 815 HA SER 109 HA SER 109 -12.582 10.658 -1.372 816 HB2 SER 109 1HB SER 109 -11.777 11.655 0.616 817 HB3 SER 109 2HB SER 109 -12.082 12.893 -0.590 818 HG SER 109 HG SER 109 -14.201 12.530 1.185 819 H VAL 110 H VAL 110 -12.147 9.055 0.105 820 HA VAL 110 HA VAL 110 -14.158 8.631 2.203 821 HB VAL 110 HB VAL 110 -14.533 7.085 0.272 822 HG11 VAL 110 1HG1 VAL 110 -11.953 5.750 1.146 823 HG12 VAL 110 2HG1 VAL 110 -13.122 5.159 -0.067 824 HG13 VAL 110 3HG1 VAL 110 -12.207 6.654 -0.371 825 HG21 VAL 110 3HG2 VAL 110 -15.039 5.182 1.629 826 HG22 VAL 110 1HG2 VAL 110 -13.859 5.674 2.861 827 HG23 VAL 110 2HG2 VAL 110 -15.316 6.650 2.580 828 H GLN 111 H GLN 111 -13.267 7.626 4.147 829 HA GLN 111 HA GLN 111 -10.371 8.127 4.526 830 HB2 GLN 111 1HB GLN 111 -12.235 8.721 6.237 831 HB3 GLN 111 2HB GLN 111 -12.357 6.984 6.525 832 HG2 GLN 111 1HG GLN 111 -9.568 7.607 6.677 833 HG3 GLN 111 2HG GLN 111 -10.383 8.938 7.477 834 HE21 GLN 111 1HE2 GLN 111 -9.185 5.712 7.877 835 HE22 GLN 111 2HE2 GLN 111 -9.912 5.539 9.478 836 H CYS 112 H CYS 112 -8.925 6.293 5.086 837 HA CYS 112 HA CYS 112 -10.169 3.648 5.160 838 HB2 CYS 112 1HB CYS 112 -9.004 2.682 3.379 839 HB3 CYS 112 2HB CYS 112 -9.468 4.238 2.700 840 HG CYS 112 HG CYS 112 -6.568 3.137 3.736 841 H PHE 113 H PHE 113 -8.072 2.038 5.369 842 HA PHE 113 HA PHE 113 -6.098 3.224 7.233 843 HB2 PHE 113 1HB PHE 113 -6.929 0.320 7.108 844 HB3 PHE 113 2HB PHE 113 -5.744 1.021 8.170 845 HD1 PHE 113 1HD PHE 113 -6.524 2.962 9.713 846 HD2 PHE 113 2HD PHE 113 -9.227 0.304 7.693 847 HE1 PHE 113 1HE PHE 113 -8.405 3.797 11.151 848 HE2 PHE 113 2HE PHE 113 -11.105 1.142 9.103 849 HZ PHE 113 HZ PHE 113 -10.682 2.920 10.787 850 H VAL 114 H VAL 114 -3.955 2.561 6.932 851 HA VAL 114 HA VAL 114 -3.075 1.248 4.493 852 HB VAL 114 HB VAL 114 -2.613 4.215 5.147 853 HG11 VAL 114 1HG1 VAL 114 -0.813 4.190 3.391 854 HG12 VAL 114 2HG1 VAL 114 -0.373 3.373 4.891 855 HG13 VAL 114 3HG1 VAL 114 -0.820 2.411 3.470 856 HG21 VAL 114 3HG2 VAL 114 -3.042 4.480 2.750 857 HG22 VAL 114 1HG2 VAL 114 -3.202 2.722 2.555 858 HG23 VAL 114 2HG2 VAL 114 -4.382 3.616 3.521 859 H TYR 115 H TYR 115 -0.983 0.343 4.859 860 HA TYR 115 HA TYR 115 -0.000 0.447 7.657 861 HB2 TYR 115 1HB TYR 115 0.588 -1.342 5.294 862 HB3 TYR 115 2HB TYR 115 1.622 -1.292 6.715 863 HD1 TYR 115 2HD TYR 115 0.619 -1.680 9.015 864 HD2 TYR 115 1HD TYR 115 -1.421 -2.721 5.373 865 HE1 TYR 115 2HE TYR 115 -0.876 -3.137 10.285 866 HE2 TYR 115 1HE TYR 115 -3.022 -4.111 6.666 867 HH TYR 115 HH TYR 115 -3.406 -5.162 8.903 868 H THR 116 H THR 116 1.404 2.069 8.094 869 HA THR 116 HA THR 116 3.386 2.855 6.047 870 HB THR 116 HB THR 116 2.791 5.263 7.056 871 HG1 THR 116 1HG THR 116 0.813 4.422 8.136 872 HG21 THR 116 3HG2 THR 116 1.224 5.535 5.050 873 HG22 THR 116 1HG2 THR 116 1.792 3.899 4.621 874 HG23 THR 116 2HG2 THR 116 2.944 5.236 4.825 875 H THR 117 H THR 117 5.290 3.853 6.858 876 HA THR 117 HA THR 117 5.896 2.912 9.611 877 HB THR 117 HB THR 117 7.418 2.009 8.071 878 HG1 THR 117 1HG THR 117 9.360 2.933 8.675 879 HG21 THR 117 3HG2 THR 117 8.828 3.482 6.530 880 HG22 THR 117 1HG2 THR 117 7.618 4.755 6.801 881 HG23 THR 117 2HG2 THR 117 7.150 3.218 6.062 882 H ALA 118 H ALA 118 6.446 4.294 11.219 883 HA ALA 118 HA ALA 118 6.959 7.169 10.609 884 HB1 ALA 118 1HB ALA 118 4.979 6.744 12.055 885 HB2 ALA 118 2HB ALA 118 6.053 5.930 13.226 886 HB3 ALA 118 3HB ALA 118 6.281 7.653 12.847 887 H THR 119 H THR 119 8.601 4.380 10.867 888 HA THR 119 HA THR 119 10.495 5.153 12.973 889 HB THR 119 HB THR 119 10.780 2.485 12.711 890 HG1 THR 119 1HG THR 119 9.334 1.885 11.241 891 HG21 THR 119 3HG2 THR 119 9.039 2.272 14.421 892 HG22 THR 119 1HG2 THR 119 8.416 3.897 14.011 893 HG23 THR 119 2HG2 THR 119 10.044 3.712 14.700 894 H TYR 120 H TYR 120 10.640 6.015 10.147 895 HA TYR 120 HA TYR 120 12.661 4.535 8.817 896 HB2 TYR 120 1HB TYR 120 12.598 6.619 7.287 897 HB3 TYR 120 2HB TYR 120 11.126 5.690 7.483 898 HD1 TYR 120 1HD TYR 120 12.852 8.851 8.549 899 HD2 TYR 120 2HD TYR 120 9.145 6.635 8.529 900 HE1 TYR 120 1HE TYR 120 11.669 10.793 9.575 901 HE2 TYR 120 2HE TYR 120 7.961 8.598 9.397 902 HH TYR 120 HH TYR 120 8.171 10.720 10.311 903 H ALA 121 H ALA 121 14.739 5.391 8.065 904 HA ALA 121 HA ALA 121 16.388 6.517 10.148 905 HB1 ALA 121 1HB ALA 121 16.960 5.962 7.197 906 HB2 ALA 121 2HB ALA 121 18.168 6.237 8.481 907 HB3 ALA 121 3HB ALA 121 17.152 4.798 8.518 908 HA PRO 122 HA PRO 122 15.867 10.743 8.947 909 HB2 PRO 122 1HB PRO 122 18.254 11.939 9.714 910 HB3 PRO 122 2HB PRO 122 16.985 11.366 10.828 911 HG2 PRO 122 1HG PRO 122 19.509 9.946 10.026 912 HG3 PRO 122 2HG PRO 122 18.836 10.142 11.657 913 HD2 PRO 122 1HD PRO 122 18.416 7.872 10.246 914 HD3 PRO 122 2HD PRO 122 17.156 8.535 11.301 915 H GLU 123 H GLU 123 18.699 9.078 7.626 916 HA GLU 123 HA GLU 123 19.209 10.911 5.472 917 HB2 GLU 123 1HB GLU 123 20.204 8.805 4.371 918 HB3 GLU 123 2HB GLU 123 20.942 9.429 5.844 919 HG2 GLU 123 1HG GLU 123 18.794 7.320 6.219 920 HG3 GLU 123 2HG GLU 123 20.285 6.771 5.433 921 H TRP 124 H TRP 124 16.630 8.542 5.871 922 HA TRP 124 HA TRP 124 16.227 8.236 3.010 923 HB2 TRP 124 1HB TRP 124 14.481 7.656 5.419 924 HB3 TRP 124 2HB TRP 124 14.005 7.312 3.786 925 HD1 TRP 124 HD TRP 124 17.561 6.348 3.941 926 HE1 TRP 124 1HE TRP 124 17.743 3.817 3.999 927 HE3 TRP 124 3HE TRP 124 12.778 5.353 4.985 928 HZ2 TRP 124 2HZ TRP 124 15.971 1.547 4.824 929 HZ3 TRP 124 3HZ TRP 124 11.970 3.003 5.509 930 HH2 TRP 124 HH TRP 124 13.631 1.123 5.444 931 H LEU 125 H LEU 125 15.500 10.818 5.157 932 HA LEU 125 HA LEU 125 13.273 11.892 3.688 933 HB2 LEU 125 1HB LEU 125 15.374 13.158 5.508 934 HB3 LEU 125 2HB LEU 125 14.127 14.091 4.712 935 HG LEU 125 HG LEU 125 13.538 13.661 6.994 936 HD11 LEU 125 1HD1 LEU 125 11.643 12.118 5.185 937 HD12 LEU 125 2HD1 LEU 125 11.744 13.883 5.306 938 HD13 LEU 125 3HD1 LEU 125 11.270 12.926 6.715 939 HD21 LEU 125 3HD2 LEU 125 13.285 10.717 6.371 940 HD22 LEU 125 1HD2 LEU 125 13.050 11.553 7.923 941 HD23 LEU 125 2HD2 LEU 125 14.658 11.454 7.229 942 H PHE 126 H PHE 126 16.658 11.595 2.898 943 HA PHE 126 HA PHE 126 16.421 13.631 0.748 944 HB2 PHE 126 1HB PHE 126 18.849 11.986 1.472 945 HB3 PHE 126 2HB PHE 126 18.782 13.422 0.470 946 HD1 PHE 126 1HD PHE 126 18.049 15.690 1.636 947 HD2 PHE 126 2HD PHE 126 19.448 12.162 3.686 948 HE1 PHE 126 1HE PHE 126 18.610 17.056 3.638 949 HE2 PHE 126 2HE PHE 126 20.021 13.548 5.673 950 HZ PHE 126 HZ PHE 126 19.581 15.984 5.646 951 H LEU 127 H LEU 127 15.786 10.309 1.116 952 HA LEU 127 HA LEU 127 17.013 9.285 -1.312 953 HB2 LEU 127 1HB LEU 127 14.862 8.378 0.594 954 HB3 LEU 127 2HB LEU 127 15.010 7.537 -0.917 955 HG LEU 127 HG LEU 127 17.128 7.697 1.215 956 HD11 LEU 127 1HD1 LEU 127 15.219 6.155 1.678 957 HD12 LEU 127 2HD1 LEU 127 16.709 5.284 1.378 958 HD13 LEU 127 3HD1 LEU 127 15.455 5.398 0.101 959 HD21 LEU 127 3HD2 LEU 127 17.260 6.391 -1.531 960 HD22 LEU 127 1HD2 LEU 127 18.368 6.060 -0.188 961 HD23 LEU 127 2HD2 LEU 127 18.330 7.674 -0.864 962 HA PRO 128 HA PRO 128 14.097 11.143 -4.122 963 HB2 PRO 128 1HB PRO 128 14.005 9.377 -6.204 964 HB3 PRO 128 2HB PRO 128 15.420 10.426 -5.857 965 HG2 PRO 128 1HG PRO 128 15.001 7.536 -5.017 966 HG3 PRO 128 2HG PRO 128 16.438 8.244 -5.831 967 HD2 PRO 128 1HD PRO 128 16.347 7.880 -3.148 968 HD3 PRO 128 2HD PRO 128 17.108 9.347 -3.825 969 H TYR 129 H TYR 129 11.892 11.033 -4.749 970 HA TYR 129 HA TYR 129 10.374 8.865 -3.377 971 HB2 TYR 129 1HB TYR 129 9.407 11.594 -4.194 972 HB3 TYR 129 2HB TYR 129 8.538 10.388 -3.264 973 HD1 TYR 129 1HD TYR 129 11.287 9.876 -1.625 974 HD2 TYR 129 2HD TYR 129 8.778 13.254 -2.429 975 HE1 TYR 129 1HE TYR 129 12.171 10.964 0.398 976 HE2 TYR 129 2HE TYR 129 9.596 14.382 -0.388 977 HH TYR 129 HH TYR 129 12.495 13.273 1.224 978 H HIS 130 H HIS 130 8.368 8.316 -4.470 979 HA HIS 130 HA HIS 130 8.391 8.563 -7.416 980 HB2 HIS 130 1HB HIS 130 7.916 5.948 -5.945 981 HB3 HIS 130 2HB HIS 130 7.925 6.206 -7.671 982 HD1 HIS 130 1HD HIS 130 10.243 5.934 -8.917 983 HD2 HIS 130 2HD HIS 130 10.527 6.269 -4.719 984 HE1 HIS 130 1HE HIS 130 12.653 5.445 -8.317 985 H GLU 131 H GLU 131 6.181 7.732 -8.275 986 HA GLU 131 HA GLU 131 4.044 8.928 -6.541 987 HB2 GLU 131 1HB GLU 131 5.179 10.194 -8.505 988 HB3 GLU 131 2HB GLU 131 4.426 9.004 -9.540 989 HG2 GLU 131 1HG GLU 131 2.229 10.013 -8.002 990 HG3 GLU 131 2HG GLU 131 3.289 11.408 -8.310 991 H SER 132 H SER 132 4.952 6.260 -8.455 992 HA SER 132 HA SER 132 2.743 4.797 -7.380 993 HB2 SER 132 1HB SER 132 2.603 5.557 -10.283 994 HB3 SER 132 2HB SER 132 2.317 3.858 -9.896 995 HG SER 132 HG SER 132 0.774 4.455 -8.412 996 H TYR 133 H TYR 133 3.416 2.786 -7.012 997 HA TYR 133 HA TYR 133 6.075 1.927 -7.998 998 HB2 TYR 133 1HB TYR 133 5.614 1.682 -5.624 999 HB3 TYR 133 2HB TYR 133 4.132 0.757 -5.985 1000 HD1 TYR 133 1HD TYR 133 7.900 0.692 -6.048 1001 HD2 TYR 133 2HD TYR 133 4.251 -1.582 -6.718 1002 HE1 TYR 133 1HE TYR 133 9.214 -1.407 -6.362 1003 HE2 TYR 133 2HE TYR 133 5.621 -3.635 -7.043 1004 HH TYR 133 HH TYR 133 7.703 -4.487 -7.183 1005 H ASP 134 H ASP 134 6.179 0.538 -9.616 1006 HA ASP 134 HA ASP 134 4.307 -1.634 -9.535 1007 HB2 ASP 134 1HB ASP 134 3.565 0.074 -11.489 1008 HB3 ASP 134 2HB ASP 134 4.812 -0.816 -12.371 1009 H SER 135 H SER 135 5.199 -3.551 -10.655 1010 HA SER 135 HA SER 135 8.107 -3.826 -10.596 1011 HB2 SER 135 1HB SER 135 6.426 -5.604 -10.108 1012 HB3 SER 135 2HB SER 135 6.005 -5.625 -11.827 1013 HG SER 135 HG SER 135 7.576 -7.163 -10.938 1014 H GLU 136 H GLU 136 5.468 -3.108 -12.878 1015 HA GLU 136 HA GLU 136 7.078 -3.296 -15.312 1016 HB2 GLU 136 1HB GLU 136 4.140 -2.506 -14.971 1017 HB3 GLU 136 2HB GLU 136 5.003 -2.918 -16.477 1018 HG2 GLU 136 1HG GLU 136 5.482 -5.182 -15.318 1019 HG3 GLU 136 2HG GLU 136 4.231 -4.709 -14.169 1020 H GLY 137 H GLY 137 8.366 -1.688 -14.163 1021 HA2 GLY 137 2HA GLY 137 7.911 0.712 -15.811 1022 HA3 GLY 137 1HA GLY 137 8.063 1.097 -14.104 1023 HA PRO 138 HA PRO 138 11.980 0.582 -16.703 1024 HB2 PRO 138 1HB PRO 138 12.873 3.168 -16.944 1025 HB3 PRO 138 2HB PRO 138 11.587 2.462 -17.972 1026 HG2 PRO 138 1HG PRO 138 11.212 4.107 -15.452 1027 HG3 PRO 138 2HG PRO 138 10.480 4.379 -17.073 1028 HD2 PRO 138 1HD PRO 138 9.162 3.076 -15.115 1029 HD3 PRO 138 2HD PRO 138 9.068 2.485 -16.800 1030 H HIS 139 H HIS 139 11.459 1.673 -13.500 1031 HA HIS 139 HA HIS 139 13.922 2.741 -12.849 1032 HB2 HIS 139 1HB HIS 139 11.905 1.230 -11.157 1033 HB3 HIS 139 2HB HIS 139 13.383 1.942 -10.498 1034 HD1 HIS 139 1HD HIS 139 13.710 4.662 -11.139 1035 HD2 HIS 139 2HD HIS 139 9.893 2.900 -11.093 1036 HE1 HIS 139 1HE HIS 139 12.028 6.566 -10.729 1037 H GLY 140 H GLY 140 13.009 -0.677 -12.781 1038 HA2 GLY 140 2HA GLY 140 14.470 -2.485 -13.089 1039 HA3 GLY 140 1HA GLY 140 15.865 -1.466 -12.718 1040 H LEU 141 H LEU 141 15.453 -0.456 -10.286 1041 HA LEU 141 HA LEU 141 15.619 -2.450 -8.332 1042 HB2 LEU 141 1HB LEU 141 15.133 -0.629 -6.669 1043 HB3 LEU 141 2HB LEU 141 16.474 -0.334 -7.713 1044 HG LEU 141 HG LEU 141 13.948 0.767 -8.814 1045 HD11 LEU 141 1HD1 LEU 141 13.361 1.064 -6.508 1046 HD12 LEU 141 2HD1 LEU 141 13.722 2.629 -7.258 1047 HD13 LEU 141 3HD1 LEU 141 14.911 1.872 -6.170 1048 HD21 LEU 141 3HD2 LEU 141 15.229 2.871 -8.980 1049 HD22 LEU 141 1HD2 LEU 141 16.086 1.523 -9.704 1050 HD23 LEU 141 2HD2 LEU 141 16.567 2.116 -8.095 1051 H ARG 142 H ARG 142 13.670 -3.864 -8.959 1052 HA ARG 142 HA ARG 142 11.143 -2.889 -7.653 1053 HB2 ARG 142 1HB ARG 142 11.569 -5.167 -9.611 1054 HB3 ARG 142 2HB ARG 142 10.012 -4.620 -9.007 1055 HG2 ARG 142 1HG ARG 142 11.845 -2.941 -10.744 1056 HG3 ARG 142 2HG ARG 142 10.468 -3.858 -11.310 1057 HD2 ARG 142 1HD ARG 142 9.638 -1.719 -11.148 1058 HD3 ARG 142 2HD ARG 142 9.351 -2.425 -9.537 1059 HE ARG 142 HE ARG 142 11.817 -1.107 -9.467 1060 HH11 ARG 142 1HH1 ARG 142 8.420 -0.216 -9.632 1061 HH12 ARG 142 2HH1 ARG 142 8.648 1.324 -8.840 1062 HH21 ARG 142 1HH2 ARG 142 12.042 0.652 -8.120 1063 HH22 ARG 142 2HH2 ARG 142 10.776 1.830 -7.945 1064 H TYR 143 H TYR 143 9.861 -4.781 -6.643 1065 HA TYR 143 HA TYR 143 11.362 -5.436 -4.337 1066 HB2 TYR 143 1HB TYR 143 8.882 -5.156 -4.380 1067 HB3 TYR 143 2HB TYR 143 8.739 -6.653 -5.289 1068 HD1 TYR 143 2HD TYR 143 10.354 -5.387 -2.086 1069 HD2 TYR 143 1HD TYR 143 8.228 -8.585 -4.070 1070 HE1 TYR 143 2HE TYR 143 10.575 -6.752 -0.077 1071 HE2 TYR 143 1HE TYR 143 8.685 -10.077 -2.154 1072 HH TYR 143 HH TYR 143 9.035 -9.950 0.255 1073 H ASN 144 H ASN 144 11.882 -7.616 -3.395 1074 HA ASN 144 HA ASN 144 12.722 -9.535 -5.510 1075 HB2 ASN 144 1HB ASN 144 14.507 -10.144 -3.982 1076 HB3 ASN 144 2HB ASN 144 14.409 -8.376 -3.936 1077 HD21 ASN 144 1HD2 ASN 144 11.832 -8.964 -1.938 1078 HD22 ASN 144 2HD2 ASN 144 12.763 -9.012 -0.480 1079 HA PRO 145 HA PRO 145 9.552 -11.969 -3.151 1080 HB2 PRO 145 1HB PRO 145 7.904 -12.724 -5.122 1081 HB3 PRO 145 2HB PRO 145 7.881 -11.050 -4.508 1082 HG2 PRO 145 1HG PRO 145 9.551 -12.036 -6.892 1083 HG3 PRO 145 2HG PRO 145 8.266 -10.789 -6.963 1084 HD2 PRO 145 1HD PRO 145 10.853 -10.202 -6.620 1085 HD3 PRO 145 2HD PRO 145 9.622 -9.339 -5.632 1086 H ARG 146 H ARG 146 11.625 -12.603 -5.910 1087 HA ARG 146 HA ARG 146 12.119 -15.368 -5.188 1088 HB2 ARG 146 1HB ARG 146 9.835 -15.293 -6.465 1089 HB3 ARG 146 2HB ARG 146 10.777 -14.769 -7.860 1090 HG2 ARG 146 1HG ARG 146 12.215 -16.993 -6.807 1091 HG3 ARG 146 2HG ARG 146 10.533 -17.411 -6.540 1092 HD2 ARG 146 1HD ARG 146 9.995 -17.408 -8.836 1093 HD3 ARG 146 2HD ARG 146 11.348 -16.321 -9.225 1094 HE ARG 146 HE ARG 146 12.409 -18.751 -8.225 1095 HH11 ARG 146 1HH1 ARG 146 10.962 -17.361 -11.225 1096 HH12 ARG 146 2HH1 ARG 146 11.996 -18.260 -12.238 1097 HH21 ARG 146 1HH2 ARG 146 13.797 -19.764 -9.557 1098 HH22 ARG 146 2HH2 ARG 146 13.990 -19.169 -11.189 1099 H GLU 147 H GLU 147 13.585 -12.826 -5.664 1100 HA GLU 147 HA GLU 147 15.023 -13.019 -8.218 1101 HB2 GLU 147 1HB GLU 147 15.406 -11.405 -5.658 1102 HB3 GLU 147 2HB GLU 147 16.444 -11.281 -7.065 1103 HG2 GLU 147 1HG GLU 147 13.453 -10.762 -7.210 1104 HG3 GLU 147 2HG GLU 147 14.589 -9.506 -6.778 1105 H ASN 148 H ASN 148 15.408 -13.663 -4.780 1106 HA ASN 148 HA ASN 148 17.739 -15.458 -5.292 1107 HB2 ASN 148 1HB ASN 148 17.416 -13.873 -2.753 1108 HB3 ASN 148 2HB ASN 148 18.841 -14.650 -3.406 1109 HD21 ASN 148 1HD2 ASN 148 17.186 -11.672 -3.130 1110 HD22 ASN 148 2HD2 ASN 148 18.026 -10.758 -4.348 1111 H ARG 149 H ARG 149 14.563 -15.442 -4.311 1112 HA ARG 149 HA ARG 149 13.192 -16.944 -3.423 1113 HB2 ARG 149 1HB ARG 149 15.024 -18.728 -4.048 1114 HB3 ARG 149 2HB ARG 149 15.400 -18.686 -2.331 1115 HG2 ARG 149 1HG ARG 149 13.894 -20.435 -2.677 1116 HG3 ARG 149 2HG ARG 149 12.966 -19.183 -1.843 1117 HD2 ARG 149 1HD ARG 149 12.894 -19.054 -4.821 1118 HD3 ARG 149 2HD ARG 149 12.269 -20.569 -4.107 1119 HE ARG 149 HE ARG 149 11.123 -18.173 -2.906 1120 HH11 ARG 149 1HH1 ARG 149 10.843 -20.411 -5.709 1121 HH12 ARG 149 2HH1 ARG 149 9.246 -19.741 -6.103 1122 HH21 ARG 149 1HH2 ARG 149 9.025 -17.576 -3.418 1123 HH22 ARG 149 2HH2 ARG 149 8.161 -18.337 -4.734 Start of MODEL 13 1 H1 MET 1 H MET 1 -15.308 -6.178 7.590 2 HA MET 1 HA MET 1 -17.276 -4.439 6.271 3 HB2 MET 1 1HB MET 1 -17.781 -5.975 8.319 4 HB3 MET 1 2HB MET 1 -16.885 -4.780 9.262 5 HG2 MET 1 1HG MET 1 -19.230 -4.270 9.393 6 HG3 MET 1 2HG MET 1 -18.488 -3.030 8.396 7 HE1 MET 1 3HE MET 1 -21.022 -2.437 7.873 8 HE2 MET 1 1HE MET 1 -19.824 -2.110 6.600 9 HE3 MET 1 2HE MET 1 -21.403 -2.783 6.167 10 H ALA 2 H ALA 2 -14.252 -3.941 6.015 11 HA ALA 2 HA ALA 2 -14.200 -1.216 7.050 12 HB1 ALA 2 1HB ALA 2 -12.958 -2.625 8.722 13 HB2 ALA 2 2HB ALA 2 -11.928 -3.219 7.399 14 HB3 ALA 2 3HB ALA 2 -11.916 -1.497 7.832 15 H HIS 3 H HIS 3 -11.997 -0.319 5.882 16 HA HIS 3 HA HIS 3 -11.829 -1.507 3.174 17 HB2 HIS 3 1HB HIS 3 -12.186 1.467 3.645 18 HB3 HIS 3 2HB HIS 3 -12.106 0.622 2.099 19 HD1 HIS 3 1HD HIS 3 -14.566 1.835 4.590 20 HD2 HIS 3 2HD HIS 3 -14.336 -0.917 1.444 21 HE1 HIS 3 1HE HIS 3 -16.961 1.065 4.139 22 H ILE 4 H ILE 4 -9.852 -1.154 2.159 23 HA ILE 4 HA ILE 4 -7.908 0.531 3.540 24 HB ILE 4 HB ILE 4 -6.043 -0.976 3.184 25 HG12 ILE 4 1HG1 ILE 4 -8.115 -2.917 2.116 26 HG13 ILE 4 2HG1 ILE 4 -6.740 -2.246 1.251 27 HG21 ILE 4 1HG2 ILE 4 -8.111 -2.543 4.702 28 HG22 ILE 4 2HG2 ILE 4 -6.369 -2.383 5.029 29 HG23 ILE 4 3HG2 ILE 4 -7.441 -1.017 5.306 30 HD11 ILE 4 3HD1 ILE 4 -5.181 -3.440 2.758 31 HD12 ILE 4 1HD1 ILE 4 -6.566 -4.181 3.600 32 HD13 ILE 4 2HD1 ILE 4 -6.285 -4.544 1.898 33 H PHE 5 H PHE 5 -5.930 0.618 1.881 34 HA PHE 5 HA PHE 5 -6.853 0.762 -0.923 35 HB2 PHE 5 1HB PHE 5 -7.243 2.966 0.048 36 HB3 PHE 5 2HB PHE 5 -5.641 2.997 0.749 37 HD1 PHE 5 1HD PHE 5 -7.517 3.001 -2.455 38 HD2 PHE 5 2HD PHE 5 -3.729 3.775 -0.540 39 HE1 PHE 5 1HE PHE 5 -6.719 4.142 -4.478 40 HE2 PHE 5 2HE PHE 5 -2.937 4.924 -2.585 41 HZ PHE 5 HZ PHE 5 -4.425 5.166 -4.519 42 H VAL 6 H VAL 6 -5.219 0.012 -2.271 43 HA VAL 6 HA VAL 6 -2.778 -1.036 -1.002 44 HB VAL 6 HB VAL 6 -2.140 -1.726 -3.301 45 HG11 VAL 6 1HG1 VAL 6 -3.273 -3.342 -1.983 46 HG12 VAL 6 2HG1 VAL 6 -4.863 -2.625 -2.321 47 HG13 VAL 6 3HG1 VAL 6 -3.956 -3.410 -3.630 48 HG21 VAL 6 3HG2 VAL 6 -4.845 -0.634 -4.157 49 HG22 VAL 6 1HG2 VAL 6 -3.253 -0.083 -4.711 50 HG23 VAL 6 2HG2 VAL 6 -3.808 -1.705 -5.118 51 H TYR 7 H TYR 7 -0.800 0.080 -0.922 52 HA TYR 7 HA TYR 7 -0.563 2.678 -2.240 53 HB2 TYR 7 1HB TYR 7 1.769 2.578 -1.426 54 HB3 TYR 7 2HB TYR 7 0.548 2.458 -0.185 55 HD1 TYR 7 2HD TYR 7 3.059 0.449 -2.110 56 HD2 TYR 7 1HD TYR 7 0.394 0.542 1.286 57 HE1 TYR 7 2HE TYR 7 4.389 -1.320 -1.030 58 HE2 TYR 7 1HE TYR 7 1.553 -1.417 2.216 59 HH TYR 7 HH TYR 7 4.644 -2.677 0.946 60 H GLY 8 H GLY 8 -0.597 -0.405 -3.446 61 HA2 GLY 8 2HA GLY 8 -0.436 -0.226 -5.975 62 HA3 GLY 8 1HA GLY 8 1.267 0.159 -5.709 63 H THR 9 H THR 9 0.693 -2.016 -3.249 64 HA THR 9 HA THR 9 2.219 -3.974 -4.605 65 HB THR 9 HB THR 9 1.776 -4.897 -2.056 66 HG1 THR 9 1HG THR 9 1.134 -3.333 -0.743 67 HG21 THR 9 3HG2 THR 9 3.792 -3.607 -1.458 68 HG22 THR 9 1HG2 THR 9 3.577 -2.583 -2.893 69 HG23 THR 9 2HG2 THR 9 3.948 -4.311 -3.074 70 H LEU 10 H LEU 10 -1.165 -3.818 -4.467 71 HA LEU 10 HA LEU 10 -1.258 -6.697 -5.133 72 HB2 LEU 10 1HB LEU 10 -3.171 -5.477 -3.103 73 HB3 LEU 10 2HB LEU 10 -3.225 -7.073 -3.807 74 HG LEU 10 HG LEU 10 -0.808 -7.331 -2.724 75 HD11 LEU 10 1HD1 LEU 10 -0.521 -6.174 -0.629 76 HD12 LEU 10 2HD1 LEU 10 -2.089 -5.370 -0.775 77 HD13 LEU 10 3HD1 LEU 10 -0.768 -4.917 -1.840 78 HD21 LEU 10 3HD2 LEU 10 -1.901 -8.186 -0.649 79 HD22 LEU 10 1HD2 LEU 10 -2.670 -8.746 -2.136 80 HD23 LEU 10 2HD2 LEU 10 -3.425 -7.447 -1.179 81 H LYS 11 H LYS 11 -1.180 -4.935 -7.152 82 HA LYS 11 HA LYS 11 -3.995 -4.931 -8.023 83 HB2 LYS 11 1HB LYS 11 -3.888 -2.779 -7.311 84 HB3 LYS 11 2HB LYS 11 -2.221 -2.516 -7.772 85 HG2 LYS 11 1HG LYS 11 -3.625 -1.277 -9.275 86 HG3 LYS 11 2HG LYS 11 -2.788 -2.479 -10.171 87 HD2 LYS 11 1HD LYS 11 -4.886 -3.893 -10.143 88 HD3 LYS 11 2HD LYS 11 -5.708 -2.575 -9.323 89 HE2 LYS 11 1HE LYS 11 -4.244 -2.291 -12.002 90 HE3 LYS 11 2HE LYS 11 -5.966 -2.663 -11.857 91 HZ1 LYS 11 3HZ LYS 11 -4.720 -0.177 -10.850 92 HZ2 LYS 11 1HZ LYS 11 -6.322 -0.630 -10.739 93 HZ3 LYS 11 2HZ LYS 11 -5.678 -0.345 -12.190 94 H ARG 12 H ARG 12 -0.776 -3.929 -9.495 95 HA ARG 12 HA ARG 12 -1.844 -4.733 -12.049 96 HB2 ARG 12 1HB ARG 12 0.881 -3.838 -11.108 97 HB3 ARG 12 2HB ARG 12 0.643 -4.405 -12.745 98 HG2 ARG 12 1HG ARG 12 -0.990 -2.127 -11.560 99 HG3 ARG 12 2HG ARG 12 0.584 -1.910 -12.300 100 HD2 ARG 12 1HD ARG 12 -0.339 -3.028 -14.394 101 HD3 ARG 12 2HD ARG 12 -1.947 -2.813 -13.681 102 HE ARG 12 HE ARG 12 -0.417 -0.367 -13.619 103 HH11 ARG 12 1HH1 ARG 12 -1.627 -2.452 -16.245 104 HH12 ARG 12 2HH1 ARG 12 -1.996 -1.122 -17.263 105 HH21 ARG 12 1HH2 ARG 12 -1.080 1.393 -14.940 106 HH22 ARG 12 2HH2 ARG 12 -1.525 1.095 -16.571 107 H GLY 13 H GLY 13 0.930 -6.035 -10.240 108 HA2 GLY 13 2HA GLY 13 0.044 -8.758 -10.416 109 HA3 GLY 13 1HA GLY 13 1.223 -8.413 -11.695 110 H GLN 14 H GLN 14 1.194 -6.913 -8.395 111 HA GLN 14 HA GLN 14 4.026 -7.219 -8.128 112 HB2 GLN 14 1HB GLN 14 1.672 -6.341 -6.472 113 HB3 GLN 14 2HB GLN 14 3.282 -6.441 -5.742 114 HG2 GLN 14 1HG GLN 14 2.876 -4.213 -6.496 115 HG3 GLN 14 2HG GLN 14 4.166 -4.905 -7.466 116 HE21 GLN 14 1HE2 GLN 14 3.795 -5.192 -9.801 117 HE22 GLN 14 2HE2 GLN 14 2.642 -4.069 -10.470 118 HA PRO 15 HA PRO 15 4.462 -11.208 -6.606 119 HB2 PRO 15 1HB PRO 15 6.346 -11.006 -4.568 120 HB3 PRO 15 2HB PRO 15 6.697 -10.877 -6.325 121 HG2 PRO 15 1HG PRO 15 6.336 -8.667 -4.299 122 HG3 PRO 15 2HG PRO 15 7.558 -8.805 -5.597 123 HD2 PRO 15 1HD PRO 15 5.290 -7.298 -5.823 124 HD3 PRO 15 2HD PRO 15 6.021 -8.094 -7.231 125 H ASN 16 H ASN 16 3.109 -8.909 -4.627 126 HA ASN 16 HA ASN 16 2.556 -10.626 -2.293 127 HB2 ASN 16 1HB ASN 16 1.751 -7.718 -2.594 128 HB3 ASN 16 2HB ASN 16 2.065 -8.631 -1.120 129 HD21 ASN 16 1HD2 ASN 16 3.297 -6.570 -3.506 130 HD22 ASN 16 2HD2 ASN 16 5.000 -6.591 -3.018 131 H HIS 17 H HIS 17 1.002 -9.434 -5.258 132 HA HIS 17 HA HIS 17 -1.566 -8.831 -4.290 133 HB2 HIS 17 1HB HIS 17 -0.608 -8.439 -6.617 134 HB3 HIS 17 2HB HIS 17 -0.916 -10.124 -6.969 135 HD1 HIS 17 1HD HIS 17 -2.304 -8.009 -8.803 136 HD2 HIS 17 2HD HIS 17 -4.081 -9.800 -5.441 137 HE1 HIS 17 1HE HIS 17 -4.763 -7.607 -8.981 138 H LYS 18 H LYS 18 -0.154 -11.950 -5.183 139 HA LYS 18 HA LYS 18 -2.344 -13.591 -5.183 140 HB2 LYS 18 1HB LYS 18 -0.769 -15.367 -4.900 141 HB3 LYS 18 2HB LYS 18 -0.107 -14.132 -5.940 142 HG2 LYS 18 1HG LYS 18 1.755 -14.439 -4.701 143 HG3 LYS 18 2HG LYS 18 1.012 -13.285 -3.598 144 HD2 LYS 18 1HD LYS 18 0.128 -15.097 -2.229 145 HD3 LYS 18 2HD LYS 18 0.632 -16.303 -3.424 146 HE2 LYS 18 1HE LYS 18 3.039 -15.192 -2.976 147 HE3 LYS 18 2HE LYS 18 2.301 -14.835 -1.408 148 HZ1 LYS 18 3HZ LYS 18 2.738 -17.469 -2.680 149 HZ2 LYS 18 1HZ LYS 18 1.743 -17.306 -1.373 150 HZ3 LYS 18 2HZ LYS 18 3.348 -16.988 -1.281 151 H VAL 19 H VAL 19 -0.924 -12.144 -2.236 152 HA VAL 19 HA VAL 19 -1.999 -14.070 -0.443 153 HB VAL 19 HB VAL 19 -1.712 -12.406 1.272 154 HG11 VAL 19 1HG1 VAL 19 0.604 -12.161 -0.682 155 HG12 VAL 19 2HG1 VAL 19 0.645 -12.026 1.082 156 HG13 VAL 19 3HG1 VAL 19 0.277 -13.584 0.333 157 HG21 VAL 19 3HG2 VAL 19 -2.484 -10.372 0.694 158 HG22 VAL 19 1HG2 VAL 19 -0.744 -10.098 0.563 159 HG23 VAL 19 2HG2 VAL 19 -1.727 -10.398 -0.889 160 H MET 20 H MET 20 -3.531 -11.179 -1.981 161 HA MET 20 HA MET 20 -5.869 -11.495 -0.252 162 HB2 MET 20 1HB MET 20 -6.792 -9.644 -1.295 163 HB3 MET 20 2HB MET 20 -5.112 -9.256 -1.022 164 HG2 MET 20 1HG MET 20 -4.654 -9.113 -3.281 165 HG3 MET 20 2HG MET 20 -5.799 -10.367 -3.722 166 HE1 MET 20 3HE MET 20 -6.516 -7.065 -1.580 167 HE2 MET 20 1HE MET 20 -5.310 -6.607 -2.808 168 HE3 MET 20 2HE MET 20 -6.957 -5.962 -2.900 169 H LEU 21 H LEU 21 -4.765 -13.198 -2.909 170 HA LEU 21 HA LEU 21 -7.391 -13.726 -4.132 171 HB2 LEU 21 1HB LEU 21 -4.700 -14.922 -4.834 172 HB3 LEU 21 2HB LEU 21 -6.184 -14.951 -5.771 173 HG LEU 21 HG LEU 21 -4.485 -12.499 -5.191 174 HD11 LEU 21 1HD1 LEU 21 -5.018 -13.898 -7.829 175 HD12 LEU 21 2HD1 LEU 21 -3.557 -14.106 -6.868 176 HD13 LEU 21 3HD1 LEU 21 -3.955 -12.508 -7.532 177 HD21 LEU 21 3HD2 LEU 21 -7.088 -12.715 -6.753 178 HD22 LEU 21 1HD2 LEU 21 -5.989 -11.323 -6.820 179 HD23 LEU 21 2HD2 LEU 21 -6.788 -11.741 -5.307 180 H ASP 22 H ASP 22 -5.999 -14.652 -1.321 181 HA ASP 22 HA ASP 22 -7.110 -17.423 -1.428 182 HB2 ASP 22 1HB ASP 22 -4.969 -16.147 0.257 183 HB3 ASP 22 2HB ASP 22 -5.708 -17.681 0.694 184 H HIS 23 H HIS 23 -9.217 -16.779 -0.964 185 HA HIS 23 HA HIS 23 -10.003 -14.710 0.742 186 HB2 HIS 23 1HB HIS 23 -11.469 -15.722 -0.881 187 HB3 HIS 23 2HB HIS 23 -11.450 -17.264 -0.019 188 HD1 HIS 23 1HD HIS 23 -13.584 -17.579 1.376 189 HD2 HIS 23 2HD HIS 23 -12.419 -13.567 0.897 190 HE1 HIS 23 1HE HIS 23 -15.469 -16.201 2.338 191 H SER 24 H SER 24 -8.920 -17.854 1.644 192 HA SER 24 HA SER 24 -9.765 -17.947 4.385 193 HB2 SER 24 1HB SER 24 -7.365 -19.185 3.236 194 HB3 SER 24 2HB SER 24 -8.196 -19.660 4.720 195 HG SER 24 HG SER 24 -8.857 -21.033 3.143 196 H HIS 25 H HIS 25 -7.119 -16.112 2.850 197 HA HIS 25 HA HIS 25 -5.848 -15.486 5.432 198 HB2 HIS 25 1HB HIS 25 -5.768 -14.077 2.739 199 HB3 HIS 25 2HB HIS 25 -4.857 -13.620 4.161 200 HD1 HIS 25 1HD HIS 25 -3.788 -14.688 1.211 201 HD2 HIS 25 2HD HIS 25 -3.753 -16.666 4.919 202 HE1 HIS 25 1HE HIS 25 -1.911 -16.378 1.089 203 H GLY 26 H GLY 26 -8.512 -14.340 3.339 204 HA2 GLY 26 2HA GLY 26 -10.288 -13.479 5.078 205 HA3 GLY 26 1HA GLY 26 -9.168 -12.122 5.106 206 H LEU 27 H LEU 27 -11.423 -11.309 4.339 207 HA LEU 27 HA LEU 27 -11.998 -11.705 1.484 208 HB2 LEU 27 1HB LEU 27 -13.705 -11.530 3.330 209 HB3 LEU 27 2HB LEU 27 -13.158 -9.881 3.583 210 HG LEU 27 HG LEU 27 -15.342 -10.281 2.336 211 HD11 LEU 27 1HD1 LEU 27 -14.123 -8.087 2.350 212 HD12 LEU 27 2HD1 LEU 27 -15.131 -8.382 0.916 213 HD13 LEU 27 3HD1 LEU 27 -13.380 -8.573 0.812 214 HD21 LEU 27 3HD2 LEU 27 -14.355 -12.051 0.826 215 HD22 LEU 27 1HD2 LEU 27 -13.546 -10.769 -0.064 216 HD23 LEU 27 2HD2 LEU 27 -15.315 -10.788 0.006 217 H ALA 28 H ALA 28 -11.452 -10.339 -0.107 218 HA ALA 28 HA ALA 28 -10.818 -7.537 0.432 219 HB1 ALA 28 1HB ALA 28 -8.930 -9.335 -1.117 220 HB2 ALA 28 2HB ALA 28 -8.830 -7.560 -1.047 221 HB3 ALA 28 3HB ALA 28 -8.572 -8.520 0.430 222 H ALA 29 H ALA 29 -12.521 -6.725 -0.687 223 HA ALA 29 HA ALA 29 -13.219 -7.849 -3.366 224 HB1 ALA 29 1HB ALA 29 -14.983 -8.119 -1.660 225 HB2 ALA 29 2HB ALA 29 -14.942 -6.370 -1.329 226 HB3 ALA 29 3HB ALA 29 -15.469 -6.968 -2.917 227 H PHE 30 H PHE 30 -13.516 -6.380 -4.993 228 HA PHE 30 HA PHE 30 -11.883 -3.956 -4.999 229 HB2 PHE 30 1HB PHE 30 -11.725 -5.430 -6.866 230 HB3 PHE 30 2HB PHE 30 -13.466 -5.549 -7.028 231 HD1 PHE 30 2HD PHE 30 -10.834 -2.813 -7.119 232 HD2 PHE 30 1HD PHE 30 -14.478 -4.446 -8.772 233 HE1 PHE 30 2HE PHE 30 -10.827 -1.090 -8.895 234 HE2 PHE 30 1HE PHE 30 -14.423 -2.753 -10.564 235 HZ PHE 30 HZ PHE 30 -12.573 -1.091 -10.662 236 H ARG 31 H ARG 31 -13.111 -2.858 -3.376 237 HA ARG 31 HA ARG 31 -15.800 -1.856 -4.124 238 HB2 ARG 31 1HB ARG 31 -15.191 -2.642 -1.782 239 HB3 ARG 31 2HB ARG 31 -14.045 -1.304 -1.672 240 HG2 ARG 31 1HG ARG 31 -16.011 -0.664 -0.453 241 HG3 ARG 31 2HG ARG 31 -15.958 0.294 -1.926 242 HD2 ARG 31 1HD ARG 31 -18.196 -0.333 -1.756 243 HD3 ARG 31 2HD ARG 31 -17.491 -1.412 -2.965 244 HE ARG 31 HE ARG 31 -17.609 -2.467 -0.212 245 HH11 ARG 31 1HH1 ARG 31 -19.272 -2.250 -3.322 246 HH12 ARG 31 2HH1 ARG 31 -20.285 -3.617 -3.083 247 HH21 ARG 31 1HH2 ARG 31 -18.945 -4.137 0.231 248 HH22 ARG 31 2HH2 ARG 31 -20.172 -4.705 -0.893 249 H GLY 32 H GLY 32 -14.415 -1.118 -6.103 250 HA2 GLY 32 2HA GLY 32 -14.398 0.896 -7.272 251 HA3 GLY 32 1HA GLY 32 -14.426 1.775 -5.743 252 H ARG 33 H ARG 33 -13.008 3.033 -7.142 253 HA ARG 33 HA ARG 33 -10.149 2.067 -7.224 254 HB2 ARG 33 1HB ARG 33 -11.688 3.753 -9.193 255 HB3 ARG 33 2HB ARG 33 -9.945 3.543 -9.262 256 HG2 ARG 33 1HG ARG 33 -10.101 1.199 -9.719 257 HG3 ARG 33 2HG ARG 33 -11.802 1.137 -9.238 258 HD2 ARG 33 1HD ARG 33 -11.738 1.037 -11.612 259 HD3 ARG 33 2HD ARG 33 -12.407 2.590 -11.091 260 HE ARG 33 HE ARG 33 -9.550 2.696 -11.594 261 HH11 ARG 33 1HH1 ARG 33 -12.756 3.036 -13.215 262 HH12 ARG 33 2HH1 ARG 33 -12.078 3.797 -14.585 263 HH21 ARG 33 1HH2 ARG 33 -8.758 3.845 -13.412 264 HH22 ARG 33 2HH2 ARG 33 -9.865 4.344 -14.651 265 H GLY 34 H GLY 34 -8.427 3.951 -7.074 266 HA2 GLY 34 2HA GLY 34 -9.334 6.521 -6.296 267 HA3 GLY 34 1HA GLY 34 -8.970 5.577 -4.845 268 H CYS 35 H CYS 35 -7.714 7.759 -4.977 269 HA CYS 35 HA CYS 35 -4.944 6.946 -5.529 270 HB2 CYS 35 1HB CYS 35 -4.321 8.970 -6.500 271 HB3 CYS 35 2HB CYS 35 -5.782 8.521 -7.367 272 HG CYS 35 HG CYS 35 -5.973 11.036 -7.139 273 H THR 36 H THR 36 -3.446 8.148 -4.022 274 HA THR 36 HA THR 36 -4.739 8.840 -1.439 275 HB THR 36 HB THR 36 -2.248 9.307 -0.897 276 HG1 THR 36 1HG THR 36 -1.937 7.619 -3.171 277 HG21 THR 36 3HG2 THR 36 -3.706 6.801 -0.879 278 HG22 THR 36 1HG2 THR 36 -2.475 7.425 0.244 279 HG23 THR 36 2HG2 THR 36 -1.975 6.500 -1.159 280 H VAL 37 H VAL 37 -5.501 10.919 -1.235 281 HA VAL 37 HA VAL 37 -4.676 12.981 -3.143 282 HB VAL 37 HB VAL 37 -6.300 13.263 -0.561 283 HG11 VAL 37 1HG1 VAL 37 -5.431 15.379 -1.413 284 HG12 VAL 37 2HG1 VAL 37 -6.009 15.007 -3.055 285 HG13 VAL 37 3HG1 VAL 37 -7.170 15.293 -1.741 286 HG21 VAL 37 3HG2 VAL 37 -7.423 11.671 -2.034 287 HG22 VAL 37 1HG2 VAL 37 -8.295 13.208 -2.038 288 HG23 VAL 37 2HG2 VAL 37 -7.227 12.802 -3.404 289 H GLU 38 H GLU 38 -4.049 12.025 0.218 290 HA GLU 38 HA GLU 38 -2.258 14.218 0.858 291 HB2 GLU 38 1HB GLU 38 -3.075 11.559 2.054 292 HB3 GLU 38 2HB GLU 38 -1.604 12.370 2.606 293 HG2 GLU 38 1HG GLU 38 -2.690 14.107 3.618 294 HG3 GLU 38 2HG GLU 38 -3.934 14.160 2.429 295 H SER 39 H SER 39 -0.588 14.451 -0.475 296 HA SER 39 HA SER 39 0.759 12.375 -1.920 297 HB2 SER 39 1HB SER 39 2.043 14.930 -0.919 298 HB3 SER 39 2HB SER 39 2.338 14.072 -2.426 299 HG SER 39 HG SER 39 -0.069 14.611 -2.748 300 H PHE 40 H PHE 40 2.486 11.035 -1.205 301 HA PHE 40 HA PHE 40 3.398 11.399 1.658 302 HB2 PHE 40 1HB PHE 40 2.393 8.778 0.301 303 HB3 PHE 40 2HB PHE 40 3.398 8.833 1.696 304 HD1 PHE 40 1HD PHE 40 2.674 10.299 3.734 305 HD2 PHE 40 2HD PHE 40 0.059 8.756 0.707 306 HE1 PHE 40 1HE PHE 40 0.720 10.567 5.285 307 HE2 PHE 40 2HE PHE 40 -1.868 9.020 2.224 308 HZ PHE 40 HZ PHE 40 -1.568 9.935 4.501 309 HA PRO 41 HA PRO 41 7.296 10.645 -0.513 310 HB2 PRO 41 1HB PRO 41 8.855 9.828 1.634 311 HB3 PRO 41 2HB PRO 41 8.483 11.541 1.330 312 HG2 PRO 41 1HG PRO 41 7.116 9.631 3.158 313 HG3 PRO 41 2HG PRO 41 7.518 11.342 3.487 314 HD2 PRO 41 1HD PRO 41 5.080 10.294 2.863 315 HD3 PRO 41 2HD PRO 41 5.529 11.956 2.337 316 H LEU 42 H LEU 42 6.575 8.919 -1.754 317 HA LEU 42 HA LEU 42 6.833 6.244 -0.588 318 HB2 LEU 42 1HB LEU 42 5.236 7.116 -2.564 319 HB3 LEU 42 2HB LEU 42 6.634 6.997 -3.586 320 HG LEU 42 HG LEU 42 5.203 4.772 -2.117 321 HD11 LEU 42 1HD1 LEU 42 4.777 3.910 -4.353 322 HD12 LEU 42 2HD1 LEU 42 5.755 5.193 -5.080 323 HD13 LEU 42 3HD1 LEU 42 4.257 5.582 -4.252 324 HD21 LEU 42 3HD2 LEU 42 7.454 4.160 -1.800 325 HD22 LEU 42 1HD2 LEU 42 7.913 4.614 -3.471 326 HD23 LEU 42 2HD2 LEU 42 6.879 3.200 -3.168 327 H VAL 43 H VAL 43 8.945 5.804 -0.094 328 HA VAL 43 HA VAL 43 11.151 6.471 -2.027 329 HB VAL 43 HB VAL 43 12.514 6.553 0.142 330 HG11 VAL 43 1HG1 VAL 43 10.460 8.747 -0.472 331 HG12 VAL 43 2HG1 VAL 43 11.996 8.975 0.393 332 HG13 VAL 43 3HG1 VAL 43 11.999 8.507 -1.314 333 HG21 VAL 43 3HG2 VAL 43 11.577 6.891 2.201 334 HG22 VAL 43 1HG2 VAL 43 10.027 7.484 1.544 335 HG23 VAL 43 2HG2 VAL 43 10.397 5.765 1.546 336 H ILE 44 H ILE 44 12.482 4.724 -2.570 337 HA ILE 44 HA ILE 44 11.621 2.077 -1.493 338 HB ILE 44 HB ILE 44 13.115 2.728 -4.059 339 HG12 ILE 44 1HG1 ILE 44 10.225 1.820 -3.631 340 HG13 ILE 44 2HG1 ILE 44 10.713 3.457 -4.070 341 HG21 ILE 44 1HG2 ILE 44 11.997 0.077 -2.995 342 HG22 ILE 44 2HG2 ILE 44 12.813 0.313 -4.553 343 HG23 ILE 44 3HG2 ILE 44 13.723 0.511 -3.085 344 HD11 ILE 44 3HD1 ILE 44 11.705 2.622 -6.171 345 HD12 ILE 44 1HD1 ILE 44 11.078 0.990 -5.803 346 HD13 ILE 44 2HD1 ILE 44 9.971 2.339 -6.053 347 H ALA 45 H ALA 45 12.802 1.748 0.335 348 HA ALA 45 HA ALA 45 15.760 2.107 0.188 349 HB1 ALA 45 1HB ALA 45 13.964 2.332 2.622 350 HB2 ALA 45 2HB ALA 45 15.716 2.480 2.541 351 HB3 ALA 45 3HB ALA 45 14.736 3.695 1.741 352 H GLY 46 H GLY 46 16.831 0.801 1.715 353 HA2 GLY 46 2HA GLY 46 17.286 -1.151 2.958 354 HA3 GLY 46 1HA GLY 46 15.601 -1.639 2.774 355 H GLU 47 H GLU 47 17.936 -3.261 2.528 356 HA GLU 47 HA GLU 47 18.916 -3.347 -0.114 357 HB2 GLU 47 1HB GLU 47 20.072 -3.951 2.055 358 HB3 GLU 47 2HB GLU 47 19.076 -5.411 2.094 359 HG2 GLU 47 1HG GLU 47 21.411 -5.784 1.410 360 HG3 GLU 47 2HG GLU 47 20.204 -6.396 0.287 361 H HIS 48 H HIS 48 15.982 -4.676 0.935 362 HA HIS 48 HA HIS 48 16.019 -6.631 -1.266 363 HB2 HIS 48 1HB HIS 48 14.191 -6.383 1.137 364 HB3 HIS 48 2HB HIS 48 13.920 -7.465 -0.186 365 HD1 HIS 48 1HD HIS 48 14.176 -9.161 2.231 366 HD2 HIS 48 2HD HIS 48 17.554 -7.567 0.305 367 HE1 HIS 48 1HE HIS 48 16.158 -10.526 3.012 368 H ASN 49 H ASN 49 15.569 -3.506 -1.170 369 HA ASN 49 HA ASN 49 14.448 -1.933 -2.225 370 HB2 ASN 49 1HB ASN 49 13.809 -4.165 -4.172 371 HB3 ASN 49 2HB ASN 49 13.390 -2.472 -4.413 372 HD21 ASN 49 1HD2 ASN 49 15.476 -4.380 -5.852 373 HD22 ASN 49 2HD2 ASN 49 16.916 -3.376 -5.753 374 H ILE 50 H ILE 50 13.226 -1.934 -0.250 375 HA ILE 50 HA ILE 50 10.542 -3.064 -0.288 376 HB ILE 50 HB ILE 50 12.124 -2.012 2.054 377 HG12 ILE 50 1HG1 ILE 50 11.716 -4.942 1.946 378 HG13 ILE 50 2HG1 ILE 50 12.756 -4.390 0.653 379 HG21 ILE 50 1HG2 ILE 50 10.447 -3.392 3.327 380 HG22 ILE 50 2HG2 ILE 50 9.702 -2.058 2.437 381 HG23 ILE 50 3HG2 ILE 50 9.595 -3.715 1.809 382 HD11 ILE 50 3HD1 ILE 50 13.183 -3.675 3.584 383 HD12 ILE 50 1HD1 ILE 50 14.018 -4.985 2.736 384 HD13 ILE 50 2HD1 ILE 50 14.270 -3.318 2.217 385 HA PRO 51 HA PRO 51 9.619 1.426 -1.206 386 HB2 PRO 51 1HB PRO 51 6.969 1.109 -1.768 387 HB3 PRO 51 2HB PRO 51 8.252 0.718 -2.954 388 HG2 PRO 51 1HG PRO 51 6.859 -1.200 -1.040 389 HG3 PRO 51 2HG PRO 51 7.027 -1.374 -2.799 390 HD2 PRO 51 1HD PRO 51 8.751 -2.576 -1.141 391 HD3 PRO 51 2HD PRO 51 9.382 -1.786 -2.614 392 H TRP 52 H TRP 52 9.213 2.821 0.503 393 HA TRP 52 HA TRP 52 7.259 1.972 2.598 394 HB2 TRP 52 1HB TRP 52 9.752 3.637 2.976 395 HB3 TRP 52 2HB TRP 52 8.634 3.109 4.226 396 HD1 TRP 52 HD TRP 52 11.712 2.144 2.364 397 HE1 TRP 52 1HE TRP 52 12.681 -0.013 3.202 398 HE3 TRP 52 3HE TRP 52 7.790 0.653 5.245 399 HZ2 TRP 52 2HZ TRP 52 11.945 -2.083 5.122 400 HZ3 TRP 52 3HZ TRP 52 7.881 -1.482 6.437 401 HH2 TRP 52 HH TRP 52 10.008 -2.846 6.428 402 H LEU 53 H LEU 53 5.783 3.639 3.243 403 HA LEU 53 HA LEU 53 5.759 5.817 1.399 404 HB2 LEU 53 1HB LEU 53 3.776 4.408 2.910 405 HB3 LEU 53 2HB LEU 53 3.523 6.109 3.252 406 HG LEU 53 HG LEU 53 3.717 4.714 0.766 407 HD11 LEU 53 1HD1 LEU 53 1.464 6.323 2.008 408 HD12 LEU 53 2HD1 LEU 53 1.573 4.556 1.934 409 HD13 LEU 53 3HD1 LEU 53 1.281 5.476 0.445 410 HD21 LEU 53 3HD2 LEU 53 2.982 6.931 -0.466 411 HD22 LEU 53 1HD2 LEU 53 4.510 6.093 -0.507 412 HD23 LEU 53 2HD2 LEU 53 4.357 7.410 0.601 413 H LEU 54 H LEU 54 7.096 5.802 3.725 414 HA LEU 54 HA LEU 54 7.495 6.789 6.109 415 HB2 LEU 54 1HB LEU 54 8.405 8.136 3.593 416 HB3 LEU 54 2HB LEU 54 8.602 8.963 5.149 417 HG LEU 54 HG LEU 54 9.676 7.026 6.024 418 HD11 LEU 54 1HD1 LEU 54 10.745 5.549 4.176 419 HD12 LEU 54 2HD1 LEU 54 9.197 5.961 3.378 420 HD13 LEU 54 3HD1 LEU 54 9.208 5.202 4.986 421 HD21 LEU 54 3HD2 LEU 54 10.862 8.458 3.599 422 HD22 LEU 54 1HD2 LEU 54 11.852 7.609 4.826 423 HD23 LEU 54 2HD2 LEU 54 10.888 9.031 5.256 424 H TYR 55 H TYR 55 5.446 7.178 7.088 425 HA TYR 55 HA TYR 55 3.380 8.578 6.010 426 HB2 TYR 55 1HB TYR 55 3.225 7.060 7.932 427 HB3 TYR 55 2HB TYR 55 3.909 8.278 8.977 428 HD1 TYR 55 2HD TYR 55 1.063 8.082 6.423 429 HD2 TYR 55 1HD TYR 55 2.388 9.410 10.326 430 HE1 TYR 55 2HE TYR 55 -1.186 9.028 6.878 431 HE2 TYR 55 1HE TYR 55 0.171 10.402 10.732 432 HH TYR 55 HH TYR 55 -2.304 10.597 8.173 433 H LEU 56 H LEU 56 3.918 10.519 5.060 434 HA LEU 56 HA LEU 56 3.976 12.889 6.819 435 HB2 LEU 56 1HB LEU 56 6.249 11.961 5.863 436 HB3 LEU 56 2HB LEU 56 5.788 12.604 4.387 437 HG LEU 56 HG LEU 56 6.796 14.488 4.994 438 HD11 LEU 56 1HD1 LEU 56 4.494 15.290 5.557 439 HD12 LEU 56 2HD1 LEU 56 5.787 16.118 6.419 440 HD13 LEU 56 3HD1 LEU 56 4.808 14.885 7.260 441 HD21 LEU 56 3HD2 LEU 56 8.132 13.242 6.583 442 HD22 LEU 56 1HD2 LEU 56 6.849 13.416 7.818 443 HD23 LEU 56 2HD2 LEU 56 7.734 14.839 7.230 444 HA PRO 57 HA PRO 57 0.727 13.219 3.415 445 HB2 PRO 57 1HB PRO 57 -0.908 14.908 4.786 446 HB3 PRO 57 2HB PRO 57 -0.968 13.118 4.864 447 HG2 PRO 57 1HG PRO 57 0.214 15.032 6.827 448 HG3 PRO 57 2HG PRO 57 -0.703 13.532 7.142 449 HD2 PRO 57 1HD PRO 57 2.054 13.674 7.247 450 HD3 PRO 57 2HD PRO 57 1.180 12.185 6.799 451 H GLY 58 H GLY 58 0.969 14.718 1.882 452 HA2 GLY 58 2HA GLY 58 1.138 16.819 0.883 453 HA3 GLY 58 1HA GLY 58 1.538 17.538 2.442 454 H LYS 59 H LYS 59 3.607 14.847 2.088 455 HA LYS 59 HA LYS 59 5.798 16.501 0.898 456 HB2 LYS 59 1HB LYS 59 6.233 15.671 3.104 457 HB3 LYS 59 2HB LYS 59 5.599 14.083 2.699 458 HG2 LYS 59 1HG LYS 59 7.955 13.898 2.915 459 HG3 LYS 59 2HG LYS 59 7.470 13.629 1.255 460 HD2 LYS 59 1HD LYS 59 9.416 14.993 1.159 461 HD3 LYS 59 2HD LYS 59 8.079 16.079 0.794 462 HE2 LYS 59 1HE LYS 59 8.062 16.652 3.330 463 HE3 LYS 59 2HE LYS 59 9.604 15.770 3.418 464 HZ1 LYS 59 3HZ LYS 59 8.974 18.167 1.849 465 HZ2 LYS 59 1HZ LYS 59 10.321 17.297 1.588 466 HZ3 LYS 59 2HZ LYS 59 10.118 18.016 3.063 467 H GLY 60 H GLY 60 6.823 15.686 -1.103 468 HA2 GLY 60 2HA GLY 60 7.144 14.259 -2.838 469 HA3 GLY 60 1HA GLY 60 6.227 13.007 -1.971 470 H HIS 61 H HIS 61 4.876 12.295 -3.514 471 HA HIS 61 HA HIS 61 3.127 14.211 -4.940 472 HB2 HIS 61 1HB HIS 61 4.574 11.849 -6.198 473 HB3 HIS 61 2HB HIS 61 3.619 13.084 -7.023 474 HD1 HIS 61 1HD HIS 61 4.835 15.748 -6.522 475 HD2 HIS 61 2HD HIS 61 7.116 12.216 -6.218 476 HE1 HIS 61 1HE HIS 61 7.281 16.473 -6.437 477 H CYS 62 H CYS 62 1.457 12.656 -6.212 478 HA CYS 62 HA CYS 62 0.018 11.232 -4.157 479 HB2 CYS 62 1HB CYS 62 -1.334 10.435 -6.273 480 HB3 CYS 62 2HB CYS 62 -1.446 12.087 -5.736 481 HG CYS 62 HG CYS 62 -1.391 11.828 -8.435 482 H VAL 63 H VAL 63 -0.751 9.062 -4.352 483 HA VAL 63 HA VAL 63 0.961 7.343 -5.959 484 HB VAL 63 HB VAL 63 0.203 6.695 -3.082 485 HG11 VAL 63 1HG1 VAL 63 1.591 4.685 -3.396 486 HG12 VAL 63 2HG1 VAL 63 0.216 4.691 -4.507 487 HG13 VAL 63 3HG1 VAL 63 1.842 5.122 -5.101 488 HG21 VAL 63 3HG2 VAL 63 2.049 8.276 -3.061 489 HG22 VAL 63 1HG2 VAL 63 2.695 6.675 -2.719 490 HG23 VAL 63 2HG2 VAL 63 2.890 7.398 -4.337 491 H THR 64 H THR 64 -0.339 6.549 -7.496 492 HA THR 64 HA THR 64 -3.214 6.594 -7.207 493 HB THR 64 HB THR 64 -3.186 5.615 -9.449 494 HG1 THR 64 1HG THR 64 -1.485 4.229 -9.494 495 HG21 THR 64 3HG2 THR 64 -2.745 8.065 -9.196 496 HG22 THR 64 1HG2 THR 64 -2.042 7.346 -10.661 497 HG23 THR 64 2HG2 THR 64 -0.998 7.727 -9.287 498 H GLY 65 H GLY 65 -4.682 4.630 -7.128 499 HA2 GLY 65 2HA GLY 65 -3.462 2.066 -6.713 500 HA3 GLY 65 1HA GLY 65 -3.973 2.803 -5.210 501 H GLU 66 H GLU 66 -5.483 1.045 -4.990 502 HA GLU 66 HA GLU 66 -8.097 1.646 -6.179 503 HB2 GLU 66 1HB GLU 66 -6.513 -0.779 -6.736 504 HB3 GLU 66 2HB GLU 66 -8.039 -1.163 -5.958 505 HG2 GLU 66 1HG GLU 66 -9.320 -0.030 -7.618 506 HG3 GLU 66 2HG GLU 66 -7.886 0.725 -8.318 507 H ILE 67 H ILE 67 -9.854 0.802 -4.812 508 HA ILE 67 HA ILE 67 -9.058 0.851 -1.960 509 HB ILE 67 HB ILE 67 -11.690 1.490 -3.357 510 HG12 ILE 67 1HG1 ILE 67 -9.913 3.414 -1.804 511 HG13 ILE 67 2HG1 ILE 67 -9.839 3.252 -3.559 512 HG21 ILE 67 1HG2 ILE 67 -12.457 2.185 -1.063 513 HG22 ILE 67 2HG2 ILE 67 -12.109 0.478 -1.156 514 HG23 ILE 67 3HG2 ILE 67 -10.938 1.576 -0.385 515 HD11 ILE 67 3HD1 ILE 67 -12.260 4.189 -1.985 516 HD12 ILE 67 1HD1 ILE 67 -11.217 5.145 -3.046 517 HD13 ILE 67 2HD1 ILE 67 -12.243 3.869 -3.731 518 H TYR 68 H TYR 68 -9.648 -0.945 -0.753 519 HA TYR 68 HA TYR 68 -11.305 -2.977 -2.109 520 HB2 TYR 68 1HB TYR 68 -8.816 -3.659 -0.523 521 HB3 TYR 68 2HB TYR 68 -10.000 -4.799 -1.143 522 HD1 TYR 68 1HD TYR 68 -10.138 -5.339 -3.553 523 HD2 TYR 68 2HD TYR 68 -7.305 -2.428 -2.091 524 HE1 TYR 68 1HE TYR 68 -9.041 -5.288 -5.783 525 HE2 TYR 68 2HE TYR 68 -6.212 -2.403 -4.308 526 HH TYR 68 HH TYR 68 -7.503 -3.395 -7.115 527 H GLU 69 H GLU 69 -12.928 -3.609 -0.900 528 HA GLU 69 HA GLU 69 -13.178 -2.735 1.916 529 HB2 GLU 69 1HB GLU 69 -15.233 -2.813 0.456 530 HB3 GLU 69 2HB GLU 69 -14.990 -4.561 0.281 531 HG2 GLU 69 1HG GLU 69 -15.083 -4.686 2.849 532 HG3 GLU 69 2HG GLU 69 -15.542 -2.978 2.835 533 H VAL 70 H VAL 70 -12.698 -4.153 3.554 534 HA VAL 70 HA VAL 70 -11.872 -6.895 2.855 535 HB VAL 70 HB VAL 70 -9.921 -6.667 4.334 536 HG11 VAL 70 1HG1 VAL 70 -9.807 -4.667 2.036 537 HG12 VAL 70 2HG1 VAL 70 -8.441 -5.517 2.791 538 HG13 VAL 70 3HG1 VAL 70 -9.645 -6.425 1.879 539 HG21 VAL 70 3HG2 VAL 70 -10.641 -4.723 5.688 540 HG22 VAL 70 1HG2 VAL 70 -9.028 -4.548 5.001 541 HG23 VAL 70 2HG2 VAL 70 -10.390 -3.665 4.278 542 H ASP 71 H ASP 71 -11.741 -8.252 4.813 543 HA ASP 71 HA ASP 71 -13.604 -7.267 6.907 544 HB2 ASP 71 1HB ASP 71 -14.419 -9.269 7.308 545 HB3 ASP 71 2HB ASP 71 -14.227 -9.416 5.569 546 H GLU 72 H GLU 72 -13.242 -8.547 8.882 547 HA GLU 72 HA GLU 72 -10.952 -7.554 10.197 548 HB2 GLU 72 1HB GLU 72 -13.429 -8.934 10.786 549 HB3 GLU 72 2HB GLU 72 -12.151 -9.847 11.571 550 HG2 GLU 72 1HG GLU 72 -12.386 -6.825 11.711 551 HG3 GLU 72 2HG GLU 72 -13.235 -7.879 12.841 552 H GLN 73 H GLN 73 -11.601 -10.816 8.792 553 HA GLN 73 HA GLN 73 -9.254 -11.998 9.915 554 HB2 GLN 73 1HB GLN 73 -11.318 -13.172 9.094 555 HB3 GLN 73 2HB GLN 73 -10.839 -12.764 7.451 556 HG2 GLN 73 1HG GLN 73 -10.326 -15.111 8.141 557 HG3 GLN 73 2HG GLN 73 -8.937 -14.214 7.548 558 HE21 GLN 73 1HE2 GLN 73 -7.177 -14.049 8.825 559 HE22 GLN 73 2HE2 GLN 73 -7.016 -14.569 10.480 560 H MET 74 H MET 74 -9.931 -10.381 6.744 561 HA MET 74 HA MET 74 -7.282 -10.732 5.696 562 HB2 MET 74 1HB MET 74 -9.157 -10.077 4.288 563 HB3 MET 74 2HB MET 74 -9.468 -8.664 5.238 564 HG2 MET 74 1HG MET 74 -8.461 -8.041 3.165 565 HG3 MET 74 2HG MET 74 -7.387 -7.613 4.483 566 HE1 MET 74 3HE MET 74 -7.574 -11.383 3.215 567 HE2 MET 74 1HE MET 74 -8.266 -10.391 1.913 568 HE3 MET 74 2HE MET 74 -6.720 -11.241 1.675 569 H LEU 75 H LEU 75 -8.769 -8.066 7.626 570 HA LEU 75 HA LEU 75 -6.421 -6.502 7.422 571 HB2 LEU 75 1HB LEU 75 -8.876 -5.871 8.223 572 HB3 LEU 75 2HB LEU 75 -8.240 -6.205 9.823 573 HG LEU 75 HG LEU 75 -6.452 -4.516 9.497 574 HD11 LEU 75 1HD1 LEU 75 -6.605 -2.910 7.557 575 HD12 LEU 75 2HD1 LEU 75 -7.756 -4.040 6.788 576 HD13 LEU 75 3HD1 LEU 75 -6.071 -4.504 7.080 577 HD21 LEU 75 3HD2 LEU 75 -9.228 -3.438 8.927 578 HD22 LEU 75 1HD2 LEU 75 -7.834 -2.466 9.478 579 HD23 LEU 75 2HD2 LEU 75 -8.499 -3.746 10.513 580 H ARG 76 H ARG 76 -7.421 -8.828 9.880 581 HA ARG 76 HA ARG 76 -5.155 -8.526 11.647 582 HB2 ARG 76 1HB ARG 76 -7.189 -10.735 11.116 583 HB3 ARG 76 2HB ARG 76 -5.800 -11.055 12.138 584 HG2 ARG 76 1HG ARG 76 -6.385 -9.107 13.559 585 HG3 ARG 76 2HG ARG 76 -7.857 -8.840 12.615 586 HD2 ARG 76 1HD ARG 76 -7.176 -11.413 14.107 587 HD3 ARG 76 2HD ARG 76 -8.092 -10.085 14.822 588 HE ARG 76 HE ARG 76 -9.859 -10.412 13.375 589 HH11 ARG 76 1HH1 ARG 76 -7.391 -12.973 13.125 590 HH12 ARG 76 2HH1 ARG 76 -8.358 -14.033 12.158 591 HH21 ARG 76 1HH2 ARG 76 -11.229 -11.981 12.251 592 HH22 ARG 76 2HH2 ARG 76 -10.521 -13.471 11.668 593 H PHE 77 H PHE 77 -5.718 -10.542 8.725 594 HA PHE 77 HA PHE 77 -3.251 -11.956 9.004 595 HB2 PHE 77 1HB PHE 77 -5.012 -12.867 7.611 596 HB3 PHE 77 2HB PHE 77 -5.069 -11.414 6.624 597 HD1 PHE 77 1HD PHE 77 -2.923 -14.352 7.506 598 HD2 PHE 77 2HD PHE 77 -3.543 -11.011 4.875 599 HE1 PHE 77 1HE PHE 77 -1.163 -15.222 6.007 600 HE2 PHE 77 2HE PHE 77 -1.681 -11.805 3.424 601 HZ PHE 77 HZ PHE 77 -0.521 -13.953 3.959 602 H LEU 78 H LEU 78 -4.125 -9.085 6.998 603 HA LEU 78 HA LEU 78 -1.434 -8.641 6.111 604 HB2 LEU 78 1HB LEU 78 -4.033 -7.284 5.909 605 HB3 LEU 78 2HB LEU 78 -2.741 -6.144 6.182 606 HG LEU 78 HG LEU 78 -1.511 -6.912 4.227 607 HD11 LEU 78 1HD1 LEU 78 -2.553 -8.537 2.623 608 HD12 LEU 78 2HD1 LEU 78 -3.773 -8.921 3.859 609 HD13 LEU 78 3HD1 LEU 78 -2.065 -9.294 4.135 610 HD21 LEU 78 3HD2 LEU 78 -3.269 -5.185 3.930 611 HD22 LEU 78 1HD2 LEU 78 -4.470 -6.448 3.625 612 HD23 LEU 78 2HD2 LEU 78 -3.118 -6.199 2.489 613 H ASP 79 H ASP 79 -3.011 -7.838 9.181 614 HA ASP 79 HA ASP 79 -1.011 -5.988 10.066 615 HB2 ASP 79 1HB ASP 79 -3.299 -6.083 10.812 616 HB3 ASP 79 2HB ASP 79 -2.959 -7.554 11.748 617 H ASP 80 H ASP 80 -0.701 -9.111 9.395 618 HA ASP 80 HA ASP 80 1.561 -9.660 11.272 619 HB2 ASP 80 1HB ASP 80 -0.305 -11.174 11.662 620 HB3 ASP 80 2HB ASP 80 -0.485 -11.508 9.953 621 H PHE 81 H PHE 81 0.319 -10.280 7.947 622 HA PHE 81 HA PHE 81 2.722 -11.279 6.876 623 HB2 PHE 81 1HB PHE 81 0.697 -11.717 5.735 624 HB3 PHE 81 2HB PHE 81 0.253 -10.018 5.676 625 HD1 PHE 81 1HD PHE 81 3.287 -11.998 4.562 626 HD2 PHE 81 2HD PHE 81 0.265 -9.086 3.545 627 HE1 PHE 81 1HE PHE 81 4.342 -11.654 2.342 628 HE2 PHE 81 2HE PHE 81 1.273 -8.815 1.310 629 HZ PHE 81 HZ PHE 81 3.284 -10.126 0.680 630 H GLU 82 H GLU 82 1.596 -7.844 7.044 631 HA GLU 82 HA GLU 82 3.859 -6.958 5.404 632 HB2 GLU 82 1HB GLU 82 2.018 -5.228 7.048 633 HB3 GLU 82 2HB GLU 82 3.048 -4.735 5.727 634 HG2 GLU 82 1HG GLU 82 0.687 -6.631 5.356 635 HG3 GLU 82 2HG GLU 82 0.584 -4.893 5.223 636 H ASP 83 H ASP 83 3.976 -8.323 8.312 637 HA ASP 83 HA ASP 83 5.319 -8.328 10.063 638 HB2 ASP 83 1HB ASP 83 6.984 -7.699 7.859 639 HB3 ASP 83 2HB ASP 83 7.507 -6.649 9.156 640 H CYS 84 H CYS 84 3.490 -5.938 9.661 641 HA CYS 84 HA CYS 84 4.583 -3.798 11.249 642 HB2 CYS 84 1HB CYS 84 1.997 -3.395 11.593 643 HB3 CYS 84 2HB CYS 84 2.720 -3.159 9.986 644 HG CYS 84 HG CYS 84 1.363 -5.976 11.083 645 HA PRO 85 HA PRO 85 3.575 -2.425 13.048 646 HB2 PRO 85 1HB PRO 85 4.388 -1.682 15.520 647 HB3 PRO 85 2HB PRO 85 2.737 -2.305 15.213 648 HG2 PRO 85 1HG PRO 85 5.148 -3.861 16.207 649 HG3 PRO 85 2HG PRO 85 3.519 -3.802 16.933 650 HD2 PRO 85 1HD PRO 85 4.256 -5.806 15.240 651 HD3 PRO 85 2HD PRO 85 2.600 -5.138 15.235 652 H SER 86 H SER 86 6.119 -4.675 13.254 653 HA SER 86 HA SER 86 8.412 -3.043 13.768 654 HB2 SER 86 1HB SER 86 7.789 -5.774 12.791 655 HB3 SER 86 2HB SER 86 9.231 -5.112 12.081 656 HG SER 86 HG SER 86 8.584 -5.080 14.905 657 H MET 87 H MET 87 7.494 -4.454 10.572 658 HA MET 87 HA MET 87 9.241 -2.590 9.237 659 HB2 MET 87 1HB MET 87 7.218 -4.652 8.328 660 HB3 MET 87 2HB MET 87 7.971 -3.571 7.185 661 HG2 MET 87 1HG MET 87 10.189 -4.335 7.914 662 HG3 MET 87 2HG MET 87 9.463 -5.440 9.054 663 HE1 MET 87 3HE MET 87 7.744 -5.014 5.468 664 HE2 MET 87 1HE MET 87 9.433 -4.582 5.084 665 HE3 MET 87 2HE MET 87 8.734 -6.095 4.477 666 H TYR 88 H TYR 88 5.713 -3.017 8.909 667 HA TYR 88 HA TYR 88 5.529 -0.081 8.279 668 HB2 TYR 88 1HB TYR 88 3.634 -2.315 7.523 669 HB3 TYR 88 2HB TYR 88 3.349 -0.612 7.234 670 HD1 TYR 88 2HD TYR 88 4.761 0.674 5.551 671 HD2 TYR 88 1HD TYR 88 5.089 -3.580 6.115 672 HE1 TYR 88 2HE TYR 88 5.876 0.512 3.328 673 HE2 TYR 88 1HE TYR 88 6.207 -3.786 3.919 674 HH TYR 88 HH TYR 88 6.996 -1.063 1.813 675 H GLN 89 H GLN 89 3.305 0.809 8.929 676 HA GLN 89 HA GLN 89 2.062 -0.398 11.290 677 HB2 GLN 89 1HB GLN 89 2.927 2.531 11.129 678 HB3 GLN 89 2HB GLN 89 1.835 1.837 12.325 679 HG2 GLN 89 1HG GLN 89 3.716 1.863 13.573 680 HG3 GLN 89 2HG GLN 89 3.880 0.255 12.900 681 HE21 GLN 89 1HE2 GLN 89 5.819 -0.174 11.827 682 HE22 GLN 89 2HE2 GLN 89 7.029 0.994 11.366 683 H ARG 90 H ARG 90 -0.181 -0.137 11.054 684 HA ARG 90 HA ARG 90 -1.160 0.853 8.443 685 HB2 ARG 90 1HB ARG 90 -2.173 -1.139 9.152 686 HB3 ARG 90 2HB ARG 90 -2.370 -0.601 10.804 687 HG2 ARG 90 1HG ARG 90 -3.844 0.886 8.611 688 HG3 ARG 90 2HG ARG 90 -4.392 -0.730 9.023 689 HD2 ARG 90 1HD ARG 90 -4.227 1.605 10.975 690 HD3 ARG 90 2HD ARG 90 -5.697 0.913 10.264 691 HE ARG 90 HE ARG 90 -4.271 -1.214 11.402 692 HH11 ARG 90 1HH1 ARG 90 -6.083 1.568 12.848 693 HH12 ARG 90 2HH1 ARG 90 -6.433 0.594 14.243 694 HH21 ARG 90 1HH2 ARG 90 -4.420 -2.119 13.268 695 HH22 ARG 90 2HH2 ARG 90 -5.157 -1.359 14.659 696 H THR 91 H THR 91 -2.212 2.806 8.130 697 HA THR 91 HA THR 91 -2.755 4.516 10.492 698 HB THR 91 HB THR 91 -1.373 5.464 7.972 699 HG1 THR 91 1HG THR 91 0.440 4.738 8.703 700 HG21 THR 91 3HG2 THR 91 -1.504 6.543 10.828 701 HG22 THR 91 1HG2 THR 91 -2.220 7.274 9.364 702 HG23 THR 91 2HG2 THR 91 -0.463 7.186 9.563 703 H ALA 92 H ALA 92 -4.260 6.190 9.998 704 HA ALA 92 HA ALA 92 -6.160 5.560 7.799 705 HB1 ALA 92 1HB ALA 92 -7.041 5.872 10.118 706 HB2 ALA 92 2HB ALA 92 -6.412 7.532 10.112 707 HB3 ALA 92 3HB ALA 92 -7.682 7.062 8.966 708 H LEU 93 H LEU 93 -6.427 6.872 6.073 709 HA LEU 93 HA LEU 93 -5.306 9.599 6.013 710 HB2 LEU 93 1HB LEU 93 -3.798 9.224 4.291 711 HB3 LEU 93 2HB LEU 93 -3.542 7.920 5.377 712 HG LEU 93 HG LEU 93 -3.333 6.883 3.383 713 HD11 LEU 93 1HD1 LEU 93 -6.306 6.492 3.904 714 HD12 LEU 93 2HD1 LEU 93 -4.957 5.506 4.501 715 HD13 LEU 93 3HD1 LEU 93 -5.370 5.577 2.766 716 HD21 LEU 93 3HD2 LEU 93 -5.664 8.276 2.120 717 HD22 LEU 93 1HD2 LEU 93 -4.390 7.339 1.359 718 HD23 LEU 93 2HD2 LEU 93 -4.023 8.922 2.079 719 H GLN 94 H GLN 94 -5.722 10.559 3.759 720 HA GLN 94 HA GLN 94 -8.616 10.206 3.118 721 HB2 GLN 94 1HB GLN 94 -7.634 12.397 3.884 722 HB3 GLN 94 2HB GLN 94 -6.746 12.483 2.368 723 HG2 GLN 94 1HG GLN 94 -8.627 13.903 2.205 724 HG3 GLN 94 2HG GLN 94 -8.962 12.519 1.186 725 HE21 GLN 94 1HE2 GLN 94 -10.837 11.260 1.715 726 HE22 GLN 94 2HE2 GLN 94 -11.862 11.527 3.116 727 H VAL 95 H VAL 95 -9.219 9.135 1.273 728 HA VAL 95 HA VAL 95 -7.227 8.784 -0.929 729 HB VAL 95 HB VAL 95 -9.284 6.833 0.198 730 HG11 VAL 95 1HG1 VAL 95 -8.427 5.190 -1.389 731 HG12 VAL 95 2HG1 VAL 95 -9.092 6.560 -2.268 732 HG13 VAL 95 3HG1 VAL 95 -7.328 6.390 -2.098 733 HG21 VAL 95 3HG2 VAL 95 -7.327 6.883 1.606 734 HG22 VAL 95 1HG2 VAL 95 -7.234 5.419 0.619 735 HG23 VAL 95 2HG2 VAL 95 -6.245 6.815 0.184 736 H GLN 96 H GLN 96 -7.974 9.522 -2.929 737 HA GLN 96 HA GLN 96 -10.631 10.717 -3.095 738 HB2 GLN 96 1HB GLN 96 -8.609 11.539 -4.378 739 HB3 GLN 96 2HB GLN 96 -8.735 10.099 -5.399 740 HG2 GLN 96 1HG GLN 96 -10.842 10.796 -6.206 741 HG3 GLN 96 2HG GLN 96 -11.061 11.984 -4.934 742 HE21 GLN 96 1HE2 GLN 96 -11.601 12.832 -7.329 743 HE22 GLN 96 2HE2 GLN 96 -10.282 13.725 -8.134 744 H VAL 97 H VAL 97 -12.398 9.855 -4.104 745 HA VAL 97 HA VAL 97 -12.436 6.989 -4.729 746 HB VAL 97 HB VAL 97 -14.633 9.115 -4.733 747 HG11 VAL 97 1HG1 VAL 97 -15.121 7.087 -6.133 748 HG12 VAL 97 2HG1 VAL 97 -14.835 6.072 -4.700 749 HG13 VAL 97 3HG1 VAL 97 -16.176 7.232 -4.737 750 HG21 VAL 97 3HG2 VAL 97 -15.282 8.150 -2.561 751 HG22 VAL 97 1HG2 VAL 97 -13.863 7.078 -2.598 752 HG23 VAL 97 2HG2 VAL 97 -13.690 8.836 -2.468 753 H LEU 98 H LEU 98 -11.328 6.750 -6.611 754 HA LEU 98 HA LEU 98 -11.786 8.444 -8.978 755 HB2 LEU 98 1HB LEU 98 -10.069 6.140 -8.303 756 HB3 LEU 98 2HB LEU 98 -10.892 5.888 -9.820 757 HG LEU 98 HG LEU 98 -8.773 6.761 -10.250 758 HD11 LEU 98 1HD1 LEU 98 -10.707 9.052 -10.720 759 HD12 LEU 98 2HD1 LEU 98 -10.718 7.536 -11.604 760 HD13 LEU 98 3HD1 LEU 98 -9.298 8.587 -11.690 761 HD21 LEU 98 3HD2 LEU 98 -9.380 9.104 -8.404 762 HD22 LEU 98 1HD2 LEU 98 -7.932 8.907 -9.428 763 HD23 LEU 98 2HD2 LEU 98 -8.231 7.777 -8.122 764 H GLU 99 H GLU 99 -13.207 5.579 -7.395 765 HA GLU 99 HA GLU 99 -15.582 5.726 -8.998 766 HB2 GLU 99 1HB GLU 99 -13.688 4.381 -10.297 767 HB3 GLU 99 2HB GLU 99 -14.027 3.104 -9.151 768 HG2 GLU 99 1HG GLU 99 -16.287 2.876 -9.990 769 HG3 GLU 99 2HG GLU 99 -16.166 4.422 -10.841 770 H TRP 100 H TRP 100 -17.188 4.388 -7.960 771 HA TRP 100 HA TRP 100 -16.372 2.890 -5.536 772 HB2 TRP 100 1HB TRP 100 -17.255 5.163 -4.901 773 HB3 TRP 100 2HB TRP 100 -18.771 4.751 -5.676 774 HD1 TRP 100 HD TRP 100 -20.526 3.771 -3.989 775 HE1 TRP 100 1HE TRP 100 -20.457 2.693 -1.656 776 HE3 TRP 100 3HE TRP 100 -15.461 3.715 -3.189 777 HZ2 TRP 100 2HZ TRP 100 -18.550 2.073 0.332 778 HZ3 TRP 100 3HZ TRP 100 -14.562 2.968 -1.013 779 HH2 TRP 100 HH TRP 100 -16.071 2.132 0.758 780 H GLU 101 H GLU 101 -17.370 0.933 -5.476 781 HA GLU 101 HA GLU 101 -19.674 0.429 -7.311 782 HB2 GLU 101 1HB GLU 101 -17.439 -1.469 -6.436 783 HB3 GLU 101 2HB GLU 101 -18.923 -1.980 -7.212 784 HG2 GLU 101 1HG GLU 101 -18.060 0.037 -8.921 785 HG3 GLU 101 2HG GLU 101 -16.539 -0.585 -8.291 786 H GLY 102 H GLY 102 -21.455 0.548 -6.001 787 HA2 GLY 102 2HA GLY 102 -22.818 -0.979 -4.657 788 HA3 GLY 102 1HA GLY 102 -21.455 -1.167 -3.547 789 H ASP 103 H ASP 103 -23.258 -0.636 -2.080 790 HA ASP 103 HA ASP 103 -24.379 2.022 -2.029 791 HB2 ASP 103 1HB ASP 103 -25.481 -0.010 -1.108 792 HB3 ASP 103 2HB ASP 103 -24.236 -0.077 0.148 793 H GLY 104 H GLY 104 -24.111 3.397 0.017 794 HA2 GLY 104 2HA GLY 104 -22.907 4.379 1.720 795 HA3 GLY 104 1HA GLY 104 -21.806 2.996 1.668 796 H ASP 105 H ASP 105 -22.666 5.741 -0.367 797 HA ASP 105 HA ASP 105 -20.093 6.198 -1.502 798 HB2 ASP 105 1HB ASP 105 -21.903 6.246 -2.972 799 HB3 ASP 105 2HB ASP 105 -22.908 7.198 -1.876 800 HA PRO 106 HA PRO 106 -19.654 9.159 2.065 801 HB2 PRO 106 1HB PRO 106 -16.949 9.499 1.868 802 HB3 PRO 106 2HB PRO 106 -17.743 8.121 2.704 803 HG2 PRO 106 1HG PRO 106 -16.663 8.236 -0.124 804 HG3 PRO 106 2HG PRO 106 -16.426 6.954 1.111 805 HD2 PRO 106 1HD PRO 106 -18.250 6.654 -0.797 806 HD3 PRO 106 2HD PRO 106 -18.520 6.081 0.833 807 H GLY 107 H GLY 107 -18.227 9.526 -1.273 808 HA2 GLY 107 2HA GLY 107 -19.098 11.928 -2.109 809 HA3 GLY 107 1HA GLY 107 -17.931 12.399 -0.861 810 H ASP 108 H ASP 108 -16.783 13.411 -2.665 811 HA ASP 108 HA ASP 108 -15.507 11.969 -4.790 812 HB2 ASP 108 1HB ASP 108 -15.822 14.463 -4.654 813 HB3 ASP 108 2HB ASP 108 -14.673 14.489 -3.314 814 H SER 109 H SER 109 -14.813 12.137 -1.342 815 HA SER 109 HA SER 109 -12.479 10.449 -1.824 816 HB2 SER 109 1HB SER 109 -11.633 12.821 -1.655 817 HB3 SER 109 2HB SER 109 -12.249 12.834 0.010 818 HG SER 109 HG SER 109 -10.564 10.763 -0.796 819 H VAL 110 H VAL 110 -11.814 9.335 0.181 820 HA VAL 110 HA VAL 110 -13.949 9.011 2.177 821 HB VAL 110 HB VAL 110 -14.353 7.516 0.301 822 HG11 VAL 110 1HG1 VAL 110 -11.576 6.390 0.761 823 HG12 VAL 110 2HG1 VAL 110 -12.849 5.623 -0.218 824 HG13 VAL 110 3HG1 VAL 110 -12.193 7.182 -0.703 825 HG21 VAL 110 3HG2 VAL 110 -14.838 6.820 2.651 826 HG22 VAL 110 1HG2 VAL 110 -14.623 5.490 1.510 827 HG23 VAL 110 2HG2 VAL 110 -13.315 5.890 2.645 828 H GLN 111 H GLN 111 -13.180 8.020 4.142 829 HA GLN 111 HA GLN 111 -10.295 8.294 4.674 830 HB2 GLN 111 1HB GLN 111 -12.017 9.119 6.273 831 HB3 GLN 111 2HB GLN 111 -12.593 7.480 6.525 832 HG2 GLN 111 1HG GLN 111 -9.665 8.134 6.996 833 HG3 GLN 111 2HG GLN 111 -10.871 8.678 8.154 834 HE21 GLN 111 1HE2 GLN 111 -9.190 5.779 6.909 835 HE22 GLN 111 2HE2 GLN 111 -9.870 4.728 8.139 836 H CYS 112 H CYS 112 -9.001 6.572 4.274 837 HA CYS 112 HA CYS 112 -10.107 3.806 4.594 838 HB2 CYS 112 1HB CYS 112 -8.137 4.776 2.487 839 HB3 CYS 112 2HB CYS 112 -8.445 3.073 2.838 840 HG CYS 112 HG CYS 112 -9.681 3.763 0.618 841 H PHE 113 H PHE 113 -8.102 2.247 4.843 842 HA PHE 113 HA PHE 113 -6.053 3.520 6.557 843 HB2 PHE 113 1HB PHE 113 -6.952 0.633 6.499 844 HB3 PHE 113 2HB PHE 113 -5.770 1.277 7.593 845 HD1 PHE 113 2HD PHE 113 -6.816 3.623 8.816 846 HD2 PHE 113 1HD PHE 113 -8.928 0.080 7.589 847 HE1 PHE 113 2HE PHE 113 -8.724 4.249 10.287 848 HE2 PHE 113 1HE PHE 113 -10.837 0.710 9.032 849 HZ PHE 113 HZ PHE 113 -10.766 2.845 10.335 850 H VAL 114 H VAL 114 -3.887 3.087 6.023 851 HA VAL 114 HA VAL 114 -3.209 1.457 3.667 852 HB VAL 114 HB VAL 114 -2.626 4.428 4.063 853 HG11 VAL 114 1HG1 VAL 114 -1.044 4.293 2.112 854 HG12 VAL 114 2HG1 VAL 114 -0.435 3.557 3.578 855 HG13 VAL 114 3HG1 VAL 114 -1.051 2.519 2.273 856 HG21 VAL 114 3HG2 VAL 114 -3.357 2.886 1.551 857 HG22 VAL 114 1HG2 VAL 114 -4.558 3.623 2.617 858 HG23 VAL 114 2HG2 VAL 114 -3.355 4.652 1.792 859 H TYR 115 H TYR 115 -1.111 0.555 3.938 860 HA TYR 115 HA TYR 115 0.093 0.784 6.622 861 HB2 TYR 115 1HB TYR 115 0.740 -0.766 4.115 862 HB3 TYR 115 2HB TYR 115 1.892 -0.635 5.443 863 HD1 TYR 115 1HD TYR 115 1.152 -1.269 7.807 864 HD2 TYR 115 2HD TYR 115 -1.084 -2.301 4.257 865 HE1 TYR 115 1HE TYR 115 -0.085 -3.011 9.090 866 HE2 TYR 115 2HE TYR 115 -2.313 -4.026 5.552 867 HH TYR 115 HH TYR 115 -1.233 -5.352 8.194 868 H THR 116 H THR 116 1.564 2.210 7.162 869 HA THR 116 HA THR 116 3.353 3.381 5.150 870 HB THR 116 HB THR 116 3.141 5.587 6.241 871 HG1 THR 116 1HG THR 116 2.261 5.002 8.271 872 HG21 THR 116 3HG2 THR 116 1.127 6.287 5.173 873 HG22 THR 116 1HG2 THR 116 0.364 4.706 5.391 874 HG23 THR 116 2HG2 THR 116 1.689 4.902 4.232 875 H THR 117 H THR 117 4.875 4.845 7.169 876 HA THR 117 HA THR 117 5.230 3.131 9.433 877 HB THR 117 HB THR 117 6.682 1.817 8.125 878 HG1 THR 117 1HG THR 117 8.416 1.997 9.276 879 HG21 THR 117 3HG2 THR 117 7.868 4.366 6.939 880 HG22 THR 117 1HG2 THR 117 6.905 3.149 6.077 881 HG23 THR 117 2HG2 THR 117 8.512 2.730 6.686 882 H ALA 118 H ALA 118 6.311 4.301 11.053 883 HA ALA 118 HA ALA 118 6.808 7.200 10.515 884 HB1 ALA 118 1HB ALA 118 6.283 7.492 12.905 885 HB2 ALA 118 2HB ALA 118 4.919 6.827 11.981 886 HB3 ALA 118 3HB ALA 118 5.898 5.762 13.023 887 H THR 119 H THR 119 8.125 4.201 11.896 888 HA THR 119 HA THR 119 10.135 5.686 13.432 889 HB THR 119 HB THR 119 8.726 4.070 14.499 890 HG1 THR 119 1HG THR 119 11.292 2.921 14.504 891 HG21 THR 119 3HG2 THR 119 8.877 1.674 14.183 892 HG22 THR 119 1HG2 THR 119 10.014 1.896 12.841 893 HG23 THR 119 2HG2 THR 119 8.331 2.444 12.694 894 H TYR 120 H TYR 120 10.284 5.524 10.499 895 HA TYR 120 HA TYR 120 12.327 3.731 9.607 896 HB2 TYR 120 1HB TYR 120 12.120 5.149 7.541 897 HB3 TYR 120 2HB TYR 120 10.639 4.395 8.101 898 HD1 TYR 120 2HD TYR 120 12.459 7.606 7.773 899 HD2 TYR 120 1HD TYR 120 8.747 5.721 8.799 900 HE1 TYR 120 2HE TYR 120 11.339 9.815 7.715 901 HE2 TYR 120 1HE TYR 120 7.587 7.933 8.662 902 HH TYR 120 HH TYR 120 7.779 10.143 8.054 903 H ALA 121 H ALA 121 14.346 4.236 8.777 904 HA ALA 121 HA ALA 121 16.079 5.811 10.342 905 HB1 ALA 121 1HB ALA 121 16.700 3.744 9.149 906 HB2 ALA 121 2HB ALA 121 16.445 4.547 7.581 907 HB3 ALA 121 3HB ALA 121 17.760 5.064 8.655 908 HA PRO 122 HA PRO 122 16.057 9.746 8.260 909 HB2 PRO 122 1HB PRO 122 18.704 10.569 8.274 910 HB3 PRO 122 2HB PRO 122 17.574 10.645 9.643 911 HG2 PRO 122 1HG PRO 122 19.696 8.618 9.078 912 HG3 PRO 122 2HG PRO 122 19.231 9.306 10.655 913 HD2 PRO 122 1HD PRO 122 18.419 6.823 9.800 914 HD3 PRO 122 2HD PRO 122 17.415 7.851 10.865 915 H GLU 123 H GLU 123 18.677 7.565 7.061 916 HA GLU 123 HA GLU 123 19.153 8.741 4.637 917 HB2 GLU 123 1HB GLU 123 19.265 6.229 3.790 918 HB3 GLU 123 2HB GLU 123 20.524 7.029 4.666 919 HG2 GLU 123 1HG GLU 123 18.478 5.526 6.314 920 HG3 GLU 123 2HG GLU 123 19.610 4.587 5.342 921 H TRP 124 H TRP 124 16.291 6.731 5.219 922 HA TRP 124 HA TRP 124 15.517 6.472 2.667 923 HB2 TRP 124 1HB TRP 124 13.947 6.569 5.238 924 HB3 TRP 124 2HB TRP 124 13.360 5.906 3.723 925 HD1 TRP 124 HD TRP 124 16.913 4.786 4.011 926 HE1 TRP 124 1HE TRP 124 16.988 2.372 4.768 927 HE3 TRP 124 3HE TRP 124 12.035 4.214 5.284 928 HZ2 TRP 124 2HZ TRP 124 15.228 0.457 6.010 929 HZ3 TRP 124 3HZ TRP 124 11.250 2.064 6.335 930 HH2 TRP 124 HH TRP 124 12.845 0.195 6.629 931 H LEU 125 H LEU 125 15.427 9.364 4.566 932 HA LEU 125 HA LEU 125 13.199 10.693 3.273 933 HB2 LEU 125 1HB LEU 125 15.672 11.771 4.681 934 HB3 LEU 125 2HB LEU 125 14.297 12.748 4.215 935 HG LEU 125 HG LEU 125 13.985 10.403 6.145 936 HD11 LEU 125 1HD1 LEU 125 15.674 11.866 7.070 937 HD12 LEU 125 2HD1 LEU 125 14.161 12.050 7.971 938 HD13 LEU 125 3HD1 LEU 125 14.657 13.289 6.787 939 HD21 LEU 125 3HD2 LEU 125 11.999 11.809 6.900 940 HD22 LEU 125 1HD2 LEU 125 11.888 11.142 5.267 941 HD23 LEU 125 2HD2 LEU 125 12.284 12.860 5.514 942 H PHE 126 H PHE 126 16.384 9.785 2.139 943 HA PHE 126 HA PHE 126 16.633 12.214 0.435 944 HB2 PHE 126 1HB PHE 126 18.613 10.007 1.040 945 HB3 PHE 126 2HB PHE 126 18.972 11.453 0.165 946 HD1 PHE 126 1HD PHE 126 17.886 13.670 1.838 947 HD2 PHE 126 2HD PHE 126 19.724 9.978 3.060 948 HE1 PHE 126 1HE PHE 126 18.354 14.627 4.075 949 HE2 PHE 126 2HE PHE 126 20.056 10.856 5.325 950 HZ PHE 126 HZ PHE 126 19.384 13.215 5.856 951 H LEU 127 H LEU 127 15.418 9.132 0.185 952 HA LEU 127 HA LEU 127 16.547 8.160 -2.265 953 HB2 LEU 127 1HB LEU 127 14.137 7.652 -0.524 954 HB3 LEU 127 2HB LEU 127 14.350 6.715 -1.987 955 HG LEU 127 HG LEU 127 15.081 5.715 0.300 956 HD11 LEU 127 1HD1 LEU 127 17.365 5.924 -1.767 957 HD12 LEU 127 2HD1 LEU 127 15.928 4.937 -2.105 958 HD13 LEU 127 3HD1 LEU 127 16.973 4.528 -0.723 959 HD21 LEU 127 3HD2 LEU 127 17.567 7.287 0.015 960 HD22 LEU 127 1HD2 LEU 127 17.085 6.006 1.188 961 HD23 LEU 127 2HD2 LEU 127 16.181 7.561 1.096 962 HA PRO 128 HA PRO 128 13.954 10.412 -5.121 963 HB2 PRO 128 1HB PRO 128 13.270 8.529 -7.007 964 HB3 PRO 128 2HB PRO 128 14.882 9.306 -6.896 965 HG2 PRO 128 1HG PRO 128 14.024 6.614 -5.792 966 HG3 PRO 128 2HG PRO 128 15.502 7.018 -6.722 967 HD2 PRO 128 1HD PRO 128 15.527 6.822 -4.014 968 HD3 PRO 128 2HD PRO 128 16.502 8.065 -4.854 969 H TYR 129 H TYR 129 11.832 10.901 -5.207 970 HA TYR 129 HA TYR 129 9.888 9.250 -3.734 971 HB2 TYR 129 1HB TYR 129 9.499 11.844 -5.247 972 HB3 TYR 129 2HB TYR 129 8.389 11.118 -4.102 973 HD1 TYR 129 2HD TYR 129 10.988 10.403 -2.231 974 HD2 TYR 129 1HD TYR 129 9.193 13.969 -3.887 975 HE1 TYR 129 2HE TYR 129 12.087 11.772 -0.475 976 HE2 TYR 129 1HE TYR 129 10.223 15.314 -2.105 977 HH TYR 129 HH TYR 129 12.031 13.951 0.589 978 H HIS 130 H HIS 130 7.984 8.561 -4.724 979 HA HIS 130 HA HIS 130 8.007 8.364 -7.724 980 HB2 HIS 130 1HB HIS 130 7.554 6.105 -5.754 981 HB3 HIS 130 2HB HIS 130 7.279 5.982 -7.495 982 HD1 HIS 130 1HD HIS 130 9.423 5.415 -8.952 983 HD2 HIS 130 2HD HIS 130 10.205 6.466 -4.932 984 HE1 HIS 130 1HE HIS 130 11.842 4.728 -8.452 985 H GLU 131 H GLU 131 5.952 8.026 -8.715 986 HA GLU 131 HA GLU 131 3.755 9.145 -7.142 987 HB2 GLU 131 1HB GLU 131 4.777 9.499 -9.773 988 HB3 GLU 131 2HB GLU 131 3.177 8.800 -9.965 989 HG2 GLU 131 1HG GLU 131 2.261 10.631 -8.425 990 HG3 GLU 131 2HG GLU 131 3.893 11.322 -8.461 991 H SER 132 H SER 132 4.714 6.047 -8.198 992 HA SER 132 HA SER 132 2.350 4.765 -7.285 993 HB2 SER 132 1HB SER 132 3.072 3.802 -9.997 994 HB3 SER 132 2HB SER 132 1.511 3.978 -9.218 995 HG SER 132 HG SER 132 1.613 6.217 -9.734 996 H TYR 133 H TYR 133 2.856 2.590 -6.891 997 HA TYR 133 HA TYR 133 5.712 1.827 -7.238 998 HB2 TYR 133 1HB TYR 133 5.238 1.876 -4.880 999 HB3 TYR 133 2HB TYR 133 3.696 1.050 -5.123 1000 HD1 TYR 133 2HD TYR 133 7.419 0.778 -5.341 1001 HD2 TYR 133 1HD TYR 133 3.717 -1.426 -5.253 1002 HE1 TYR 133 2HE TYR 133 8.697 -1.362 -5.378 1003 HE2 TYR 133 1HE TYR 133 4.977 -3.557 -5.251 1004 HH TYR 133 HH TYR 133 7.100 -4.538 -5.534 1005 H ASP 134 H ASP 134 6.063 -0.260 -8.054 1006 HA ASP 134 HA ASP 134 3.912 -1.940 -8.935 1007 HB2 ASP 134 1HB ASP 134 4.749 0.186 -10.642 1008 HB3 ASP 134 2HB ASP 134 5.593 -1.226 -11.248 1009 H SER 135 H SER 135 5.112 -3.807 -10.158 1010 HA SER 135 HA SER 135 8.005 -3.914 -9.447 1011 HB2 SER 135 1HB SER 135 6.029 -5.917 -8.941 1012 HB3 SER 135 2HB SER 135 7.114 -6.493 -10.221 1013 HG SER 135 HG SER 135 8.048 -7.088 -8.348 1014 H GLU 136 H GLU 136 5.838 -3.116 -11.822 1015 HA GLU 136 HA GLU 136 7.574 -3.957 -14.072 1016 HB2 GLU 136 1HB GLU 136 4.561 -4.065 -13.718 1017 HB3 GLU 136 2HB GLU 136 5.361 -4.242 -15.287 1018 HG2 GLU 136 1HG GLU 136 6.384 -6.304 -14.647 1019 HG3 GLU 136 2HG GLU 136 6.058 -6.051 -12.939 1020 H GLY 137 H GLY 137 8.444 -1.790 -13.450 1021 HA2 GLY 137 2HA GLY 137 6.799 0.549 -14.364 1022 HA3 GLY 137 1HA GLY 137 7.840 0.558 -12.903 1023 HA PRO 138 HA PRO 138 11.147 2.106 -15.278 1024 HB2 PRO 138 1HB PRO 138 11.146 4.468 -13.933 1025 HB3 PRO 138 2HB PRO 138 10.371 4.290 -15.534 1026 HG2 PRO 138 1HG PRO 138 9.041 4.183 -12.806 1027 HG3 PRO 138 2HG PRO 138 8.548 5.123 -14.249 1028 HD2 PRO 138 1HD PRO 138 7.449 2.700 -13.635 1029 HD3 PRO 138 2HD PRO 138 7.696 3.211 -15.320 1030 H HIS 139 H HIS 139 12.763 2.792 -13.687 1031 HA HIS 139 HA HIS 139 14.277 2.098 -12.147 1032 HB2 HIS 139 1HB HIS 139 12.067 2.459 -10.122 1033 HB3 HIS 139 2HB HIS 139 13.815 2.606 -9.924 1034 HD1 HIS 139 1HD HIS 139 14.912 4.977 -10.478 1035 HD2 HIS 139 2HD HIS 139 10.789 4.562 -11.301 1036 HE1 HIS 139 1HE HIS 139 13.997 7.308 -10.748 1037 H GLY 140 H GLY 140 14.590 0.017 -12.920 1038 HA2 GLY 140 2HA GLY 140 13.345 -2.306 -11.784 1039 HA3 GLY 140 1HA GLY 140 14.899 -2.249 -12.619 1040 H LEU 141 H LEU 141 13.476 -1.082 -9.567 1041 HA LEU 141 HA LEU 141 15.340 -2.665 -7.950 1042 HB2 LEU 141 1HB LEU 141 15.377 -0.681 -6.283 1043 HB3 LEU 141 2HB LEU 141 16.555 -0.786 -7.558 1044 HG LEU 141 HG LEU 141 15.421 0.970 -8.836 1045 HD11 LEU 141 1HD1 LEU 141 13.525 1.167 -6.477 1046 HD12 LEU 141 2HD1 LEU 141 13.066 0.762 -8.145 1047 HD13 LEU 141 3HD1 LEU 141 13.667 2.384 -7.737 1048 HD21 LEU 141 3HD2 LEU 141 17.140 1.542 -7.139 1049 HD22 LEU 141 1HD2 LEU 141 15.878 1.716 -5.908 1050 HD23 LEU 141 2HD2 LEU 141 15.939 2.822 -7.300 1051 H ARG 142 H ARG 142 13.215 -3.892 -8.188 1052 HA ARG 142 HA ARG 142 11.135 -2.708 -6.391 1053 HB2 ARG 142 1HB ARG 142 10.626 -4.526 -8.768 1054 HB3 ARG 142 2HB ARG 142 9.429 -3.746 -7.737 1055 HG2 ARG 142 1HG ARG 142 11.353 -2.335 -9.648 1056 HG3 ARG 142 2HG ARG 142 9.631 -2.568 -9.882 1057 HD2 ARG 142 1HD ARG 142 9.241 -1.255 -7.749 1058 HD3 ARG 142 2HD ARG 142 10.952 -0.836 -7.756 1059 HE ARG 142 HE ARG 142 10.536 0.028 -10.100 1060 HH11 ARG 142 1HH1 ARG 142 8.283 0.315 -7.420 1061 HH12 ARG 142 2HH1 ARG 142 7.738 1.907 -7.843 1062 HH21 ARG 142 1HH2 ARG 142 9.366 1.713 -11.024 1063 HH22 ARG 142 2HH2 ARG 142 7.871 2.245 -10.355 1064 H TYR 143 H TYR 143 9.658 -4.323 -5.389 1065 HA TYR 143 HA TYR 143 11.366 -5.392 -3.519 1066 HB2 TYR 143 1HB TYR 143 9.071 -4.610 -3.035 1067 HB3 TYR 143 2HB TYR 143 8.412 -5.984 -3.923 1068 HD1 TYR 143 2HD TYR 143 11.037 -5.486 -1.241 1069 HD2 TYR 143 1HD TYR 143 7.523 -7.647 -2.524 1070 HE1 TYR 143 2HE TYR 143 11.271 -7.001 0.686 1071 HE2 TYR 143 1HE TYR 143 7.701 -9.125 -0.627 1072 HH TYR 143 HH TYR 143 10.496 -8.885 1.710 1073 H ASN 144 H ASN 144 12.020 -7.383 -2.815 1074 HA ASN 144 HA ASN 144 11.638 -9.661 -4.701 1075 HB2 ASN 144 1HB ASN 144 13.754 -8.654 -5.273 1076 HB3 ASN 144 2HB ASN 144 14.248 -8.621 -3.569 1077 HD21 ASN 144 1HD2 ASN 144 16.030 -10.019 -3.809 1078 HD22 ASN 144 2HD2 ASN 144 15.878 -11.719 -4.225 1079 HA PRO 145 HA PRO 145 10.898 -11.364 -0.502 1080 HB2 PRO 145 1HB PRO 145 8.681 -12.780 -1.156 1081 HB3 PRO 145 2HB PRO 145 8.657 -11.051 -0.670 1082 HG2 PRO 145 1HG PRO 145 8.494 -12.234 -3.444 1083 HG3 PRO 145 2HG PRO 145 7.556 -10.874 -2.737 1084 HD2 PRO 145 1HD PRO 145 9.818 -10.669 -4.358 1085 HD3 PRO 145 2HD PRO 145 9.269 -9.396 -3.244 1086 H ARG 146 H ARG 146 12.222 -12.217 -3.342 1087 HA ARG 146 HA ARG 146 13.046 -13.910 -4.386 1088 HB2 ARG 146 1HB ARG 146 13.925 -14.075 -1.912 1089 HB3 ARG 146 2HB ARG 146 12.985 -15.582 -1.985 1090 HG2 ARG 146 1HG ARG 146 14.248 -16.184 -4.088 1091 HG3 ARG 146 2HG ARG 146 15.174 -14.676 -3.923 1092 HD2 ARG 146 1HD ARG 146 16.047 -15.339 -1.814 1093 HD3 ARG 146 2HD ARG 146 15.007 -16.781 -1.767 1094 HE ARG 146 HE ARG 146 16.295 -17.164 -4.093 1095 HH11 ARG 146 1HH1 ARG 146 17.272 -16.726 -0.718 1096 HH12 ARG 146 2HH1 ARG 146 18.815 -17.469 -0.826 1097 HH21 ARG 146 1HH2 ARG 146 18.143 -18.510 -4.240 1098 HH22 ARG 146 2HH2 ARG 146 19.141 -18.845 -2.887 1099 H GLU 147 H GLU 147 10.949 -13.876 -5.432 1100 HA GLU 147 HA GLU 147 9.242 -16.158 -5.061 1101 HB2 GLU 147 1HB GLU 147 7.673 -14.954 -6.307 1102 HB3 GLU 147 2HB GLU 147 8.106 -14.172 -4.803 1103 HG2 GLU 147 1HG GLU 147 8.544 -12.264 -5.852 1104 HG3 GLU 147 2HG GLU 147 9.801 -13.141 -6.701 1105 H ASN 148 H ASN 148 10.355 -14.323 -7.867 1106 HA ASN 148 HA ASN 148 10.096 -16.657 -9.608 1107 HB2 ASN 148 1HB ASN 148 10.800 -15.236 -11.394 1108 HB3 ASN 148 2HB ASN 148 9.587 -14.398 -10.446 1109 HD21 ASN 148 1HD2 ASN 148 10.142 -12.384 -9.565 1110 HD22 ASN 148 2HD2 ASN 148 11.616 -11.618 -10.092 1111 H ARG 149 H ARG 149 12.524 -15.798 -7.420 1112 HA ARG 149 HA ARG 149 14.381 -17.709 -7.912 1113 HB2 ARG 149 1HB ARG 149 16.338 -16.224 -8.295 1114 HB3 ARG 149 2HB ARG 149 15.265 -16.008 -9.647 1115 HG2 ARG 149 1HG ARG 149 15.957 -13.859 -9.221 1116 HG3 ARG 149 2HG ARG 149 14.341 -13.929 -8.532 1117 HD2 ARG 149 1HD ARG 149 15.206 -13.272 -6.549 1118 HD3 ARG 149 2HD ARG 149 16.032 -14.824 -6.478 1119 HE ARG 149 HE ARG 149 18.026 -13.815 -7.343 1120 HH11 ARG 149 1HH1 ARG 149 15.401 -11.357 -7.241 1121 HH12 ARG 149 2HH1 ARG 149 16.555 -10.065 -7.339 1122 HH21 ARG 149 1HH2 ARG 149 19.451 -12.004 -7.372 1123 HH22 ARG 149 2HH2 ARG 149 18.789 -10.413 -7.267 Start of MODEL 14 1 H1 MET 1 H MET 1 -16.761 -5.730 4.567 2 HA MET 1 HA MET 1 -17.218 -3.830 5.829 3 HB2 MET 1 1HB MET 1 -16.614 -6.084 7.748 4 HB3 MET 1 2HB MET 1 -17.592 -4.681 8.160 5 HG2 MET 1 1HG MET 1 -18.501 -6.163 5.743 6 HG3 MET 1 2HG MET 1 -18.606 -7.047 7.247 7 HE1 MET 1 3HE MET 1 -21.556 -5.698 9.093 8 HE2 MET 1 1HE MET 1 -20.685 -7.136 8.535 9 HE3 MET 1 2HE MET 1 -19.841 -5.910 9.508 10 H ALA 2 H ALA 2 -13.946 -4.156 5.505 11 HA ALA 2 HA ALA 2 -13.953 -1.576 6.798 12 HB1 ALA 2 1HB ALA 2 -11.553 -1.790 7.409 13 HB2 ALA 2 2HB ALA 2 -12.556 -2.905 8.355 14 HB3 ALA 2 3HB ALA 2 -11.597 -3.518 6.991 15 H HIS 3 H HIS 3 -12.702 -0.102 5.468 16 HA HIS 3 HA HIS 3 -12.102 -1.138 2.756 17 HB2 HIS 3 1HB HIS 3 -12.689 1.711 3.634 18 HB3 HIS 3 2HB HIS 3 -12.419 1.150 1.988 19 HD1 HIS 3 1HD HIS 3 -15.241 2.174 3.867 20 HD2 HIS 3 2HD HIS 3 -14.278 -1.194 1.529 21 HE1 HIS 3 1HE HIS 3 -17.458 1.089 3.208 22 H ILE 4 H ILE 4 -10.000 -1.096 2.051 23 HA ILE 4 HA ILE 4 -7.996 0.550 3.524 24 HB ILE 4 HB ILE 4 -6.360 -1.152 3.379 25 HG12 ILE 4 1HG1 ILE 4 -8.427 -3.169 2.443 26 HG13 ILE 4 2HG1 ILE 4 -7.402 -2.302 1.301 27 HG21 ILE 4 1HG2 ILE 4 -7.104 -2.519 5.184 28 HG22 ILE 4 2HG2 ILE 4 -7.991 -0.997 5.332 29 HG23 ILE 4 3HG2 ILE 4 -8.811 -2.404 4.679 30 HD11 ILE 4 3HD1 ILE 4 -5.379 -3.144 2.334 31 HD12 ILE 4 1HD1 ILE 4 -6.340 -4.058 3.529 32 HD13 ILE 4 2HD1 ILE 4 -6.431 -4.459 1.798 33 H PHE 5 H PHE 5 -6.003 0.902 2.151 34 HA PHE 5 HA PHE 5 -6.663 1.040 -0.757 35 HB2 PHE 5 1HB PHE 5 -6.885 3.156 0.387 36 HB3 PHE 5 2HB PHE 5 -5.261 3.003 1.080 37 HD1 PHE 5 2HD PHE 5 -7.273 3.752 -1.871 38 HD2 PHE 5 1HD PHE 5 -3.279 3.505 -0.295 39 HE1 PHE 5 2HE PHE 5 -6.417 5.039 -3.813 40 HE2 PHE 5 1HE PHE 5 -2.421 4.803 -2.233 41 HZ PHE 5 HZ PHE 5 -4.008 5.627 -3.950 42 H VAL 6 H VAL 6 -5.025 0.602 -2.188 43 HA VAL 6 HA VAL 6 -2.617 -0.710 -1.102 44 HB VAL 6 HB VAL 6 -2.464 -1.555 -3.534 45 HG11 VAL 6 1HG1 VAL 6 -4.686 -2.444 -1.663 46 HG12 VAL 6 2HG1 VAL 6 -3.986 -3.395 -2.997 47 HG13 VAL 6 3HG1 VAL 6 -2.984 -2.950 -1.609 48 HG21 VAL 6 3HG2 VAL 6 -4.181 -0.045 -4.532 49 HG22 VAL 6 1HG2 VAL 6 -4.600 -1.748 -4.712 50 HG23 VAL 6 2HG2 VAL 6 -5.428 -0.801 -3.496 51 H TYR 7 H TYR 7 -0.631 0.286 -1.298 52 HA TYR 7 HA TYR 7 -0.476 2.925 -2.493 53 HB2 TYR 7 1HB TYR 7 2.086 1.568 -1.768 54 HB3 TYR 7 2HB TYR 7 1.496 3.160 -1.340 55 HD1 TYR 7 1HD TYR 7 -0.901 2.799 0.248 56 HD2 TYR 7 2HD TYR 7 2.600 0.266 0.053 57 HE1 TYR 7 1HE TYR 7 -1.757 1.430 2.119 58 HE2 TYR 7 2HE TYR 7 1.799 -1.008 1.994 59 HH TYR 7 HH TYR 7 -0.231 -1.607 2.906 60 H GLY 8 H GLY 8 0.997 -0.276 -3.152 61 HA2 GLY 8 2HA GLY 8 1.242 0.302 -6.017 62 HA3 GLY 8 1HA GLY 8 2.754 0.410 -5.139 63 H THR 9 H THR 9 1.147 -2.084 -3.538 64 HA THR 9 HA THR 9 2.659 -4.057 -5.158 65 HB THR 9 HB THR 9 2.712 -5.004 -2.612 66 HG1 THR 9 1HG THR 9 3.342 -2.954 -1.424 67 HG21 THR 9 3HG2 THR 9 4.625 -2.873 -3.624 68 HG22 THR 9 1HG2 THR 9 4.636 -4.560 -4.183 69 HG23 THR 9 2HG2 THR 9 4.973 -4.185 -2.486 70 H LEU 10 H LEU 10 -0.546 -3.522 -4.438 71 HA LEU 10 HA LEU 10 -1.161 -6.273 -5.371 72 HB2 LEU 10 1HB LEU 10 -2.530 -5.118 -2.913 73 HB3 LEU 10 2HB LEU 10 -2.870 -6.620 -3.745 74 HG LEU 10 HG LEU 10 -0.330 -7.173 -3.123 75 HD11 LEU 10 1HD1 LEU 10 0.317 -6.281 -0.953 76 HD12 LEU 10 2HD1 LEU 10 -1.189 -5.352 -0.828 77 HD13 LEU 10 3HD1 LEU 10 0.046 -4.893 -1.996 78 HD21 LEU 10 3HD2 LEU 10 -2.129 -8.575 -2.428 79 HD22 LEU 10 1HD2 LEU 10 -2.673 -7.378 -1.221 80 HD23 LEU 10 2HD2 LEU 10 -1.120 -8.211 -1.023 81 H LYS 11 H LYS 11 -1.143 -3.872 -6.971 82 HA LYS 11 HA LYS 11 -4.055 -3.915 -7.500 83 HB2 LYS 11 1HB LYS 11 -3.346 -1.734 -6.351 84 HB3 LYS 11 2HB LYS 11 -2.644 -1.265 -7.872 85 HG2 LYS 11 1HG LYS 11 -5.539 -2.134 -7.693 86 HG3 LYS 11 2HG LYS 11 -4.985 -0.494 -7.372 87 HD2 LYS 11 1HD LYS 11 -5.375 -0.088 -9.530 88 HD3 LYS 11 2HD LYS 11 -3.812 -0.821 -9.784 89 HE2 LYS 11 1HE LYS 11 -5.012 -1.998 -11.339 90 HE3 LYS 11 2HE LYS 11 -5.253 -3.078 -9.950 91 HZ1 LYS 11 3HZ LYS 11 -7.156 -1.026 -10.947 92 HZ2 LYS 11 1HZ LYS 11 -7.394 -2.006 -9.603 93 HZ3 LYS 11 2HZ LYS 11 -7.314 -2.656 -11.072 94 H ARG 12 H ARG 12 -1.246 -2.290 -9.030 95 HA ARG 12 HA ARG 12 -2.241 -2.578 -11.617 96 HB2 ARG 12 1HB ARG 12 0.315 -1.775 -10.447 97 HB3 ARG 12 2HB ARG 12 0.567 -2.691 -11.936 98 HG2 ARG 12 1HG ARG 12 -0.954 -1.139 -13.145 99 HG3 ARG 12 2HG ARG 12 -1.122 -0.185 -11.649 100 HD2 ARG 12 1HD ARG 12 1.386 0.100 -11.621 101 HD3 ARG 12 2HD ARG 12 1.458 -0.739 -13.183 102 HE ARG 12 HE ARG 12 -0.339 1.344 -13.560 103 HH11 ARG 12 1HH1 ARG 12 3.159 0.858 -13.154 104 HH12 ARG 12 2HH1 ARG 12 3.539 2.415 -13.836 105 HH21 ARG 12 1HH2 ARG 12 0.274 3.456 -14.392 106 HH22 ARG 12 2HH2 ARG 12 1.970 3.745 -14.620 107 H GLY 13 H GLY 13 0.034 -4.861 -10.006 108 HA2 GLY 13 2HA GLY 13 -0.878 -7.273 -10.775 109 HA3 GLY 13 1HA GLY 13 -0.123 -6.712 -12.280 110 H GLN 14 H GLN 14 0.580 -6.756 -8.696 111 HA GLN 14 HA GLN 14 3.436 -7.043 -9.243 112 HB2 GLN 14 1HB GLN 14 1.614 -6.273 -6.962 113 HB3 GLN 14 2HB GLN 14 3.296 -6.649 -6.639 114 HG2 GLN 14 1HG GLN 14 3.308 -4.331 -6.956 115 HG3 GLN 14 2HG GLN 14 3.929 -4.959 -8.432 116 HE21 GLN 14 1HE2 GLN 14 3.154 -3.798 -10.151 117 HE22 GLN 14 2HE2 GLN 14 1.597 -3.066 -10.274 118 HA PRO 15 HA PRO 15 3.637 -11.248 -8.216 119 HB2 PRO 15 1HB PRO 15 5.713 -11.429 -6.342 120 HB3 PRO 15 2HB PRO 15 5.911 -11.295 -8.119 121 HG2 PRO 15 1HG PRO 15 6.108 -9.172 -6.002 122 HG3 PRO 15 2HG PRO 15 7.094 -9.357 -7.490 123 HD2 PRO 15 1HD PRO 15 5.048 -7.555 -7.232 124 HD3 PRO 15 2HD PRO 15 5.449 -8.299 -8.790 125 H ASN 16 H ASN 16 3.529 -9.041 -5.441 126 HA ASN 16 HA ASN 16 2.815 -10.922 -3.452 127 HB2 ASN 16 1HB ASN 16 1.957 -8.021 -3.319 128 HB3 ASN 16 2HB ASN 16 2.519 -9.078 -2.030 129 HD21 ASN 16 1HD2 ASN 16 3.367 -6.812 -4.483 130 HD22 ASN 16 2HD2 ASN 16 5.132 -6.913 -4.301 131 H HIS 17 H HIS 17 0.896 -9.366 -5.965 132 HA HIS 17 HA HIS 17 -1.451 -8.768 -4.642 133 HB2 HIS 17 1HB HIS 17 -0.732 -8.208 -7.006 134 HB3 HIS 17 2HB HIS 17 -1.282 -9.808 -7.492 135 HD1 HIS 17 1HD HIS 17 -2.523 -6.527 -7.983 136 HD2 HIS 17 2HD HIS 17 -4.125 -10.030 -6.287 137 HE1 HIS 17 1HE HIS 17 -5.043 -6.308 -8.096 138 H LYS 18 H LYS 18 -0.402 -11.979 -5.767 139 HA LYS 18 HA LYS 18 -2.730 -13.457 -5.581 140 HB2 LYS 18 1HB LYS 18 -1.292 -15.370 -5.329 141 HB3 LYS 18 2HB LYS 18 -0.559 -14.204 -6.428 142 HG2 LYS 18 1HG LYS 18 1.279 -14.736 -5.355 143 HG3 LYS 18 2HG LYS 18 0.775 -13.397 -4.326 144 HD2 LYS 18 1HD LYS 18 -0.223 -15.052 -2.735 145 HD3 LYS 18 2HD LYS 18 0.323 -16.379 -3.795 146 HE2 LYS 18 1HE LYS 18 2.639 -15.565 -3.668 147 HE3 LYS 18 2HE LYS 18 2.126 -14.223 -2.651 148 HZ1 LYS 18 3HZ LYS 18 1.933 -17.108 -1.915 149 HZ2 LYS 18 1HZ LYS 18 1.707 -15.833 -0.868 150 HZ3 LYS 18 2HZ LYS 18 3.169 -16.146 -1.514 151 H VAL 19 H VAL 19 -0.879 -12.169 -2.777 152 HA VAL 19 HA VAL 19 -1.907 -14.047 -0.930 153 HB VAL 19 HB VAL 19 -1.310 -12.478 0.810 154 HG11 VAL 19 1HG1 VAL 19 1.050 -12.298 0.392 155 HG12 VAL 19 2HG1 VAL 19 0.461 -13.791 -0.356 156 HG13 VAL 19 3HG1 VAL 19 0.816 -12.371 -1.362 157 HG21 VAL 19 3HG2 VAL 19 -2.051 -10.376 0.180 158 HG22 VAL 19 1HG2 VAL 19 -0.291 -10.254 0.262 159 HG23 VAL 19 2HG2 VAL 19 -1.110 -10.394 -1.309 160 H MET 20 H MET 20 -3.446 -11.107 -2.281 161 HA MET 20 HA MET 20 -5.592 -11.304 -0.283 162 HB2 MET 20 1HB MET 20 -6.554 -9.419 -1.347 163 HB3 MET 20 2HB MET 20 -4.864 -9.099 -0.981 164 HG2 MET 20 1HG MET 20 -4.253 -9.022 -3.211 165 HG3 MET 20 2HG MET 20 -5.548 -10.094 -3.750 166 HE1 MET 20 3HE MET 20 -4.924 -6.683 -1.999 167 HE2 MET 20 1HE MET 20 -6.371 -5.762 -2.427 168 HE3 MET 20 2HE MET 20 -6.525 -7.132 -1.333 169 H LEU 21 H LEU 21 -4.891 -12.907 -3.199 170 HA LEU 21 HA LEU 21 -7.686 -13.175 -4.089 171 HB2 LEU 21 1HB LEU 21 -5.206 -14.685 -5.002 172 HB3 LEU 21 2HB LEU 21 -6.757 -14.610 -5.812 173 HG LEU 21 HG LEU 21 -4.774 -12.328 -5.484 174 HD11 LEU 21 1HD1 LEU 21 -5.740 -13.787 -7.967 175 HD12 LEU 21 2HD1 LEU 21 -4.186 -14.059 -7.157 176 HD13 LEU 21 3HD1 LEU 21 -4.533 -12.487 -7.902 177 HD21 LEU 21 3HD2 LEU 21 -6.316 -11.025 -6.981 178 HD22 LEU 21 1HD2 LEU 21 -6.969 -11.316 -5.368 179 HD23 LEU 21 2HD2 LEU 21 -7.547 -12.282 -6.733 180 H ASP 22 H ASP 22 -5.672 -14.495 -1.669 181 HA ASP 22 HA ASP 22 -7.026 -17.115 -1.704 182 HB2 ASP 22 1HB ASP 22 -4.519 -16.205 -0.326 183 HB3 ASP 22 2HB ASP 22 -5.297 -17.764 -0.037 184 H HIS 23 H HIS 23 -8.899 -16.831 -0.900 185 HA HIS 23 HA HIS 23 -9.743 -15.029 1.069 186 HB2 HIS 23 1HB HIS 23 -11.159 -16.205 -0.597 187 HB3 HIS 23 2HB HIS 23 -10.974 -17.707 0.314 188 HD1 HIS 23 1HD HIS 23 -12.708 -17.997 2.310 189 HD2 HIS 23 2HD HIS 23 -12.054 -14.049 1.052 190 HE1 HIS 23 1HE HIS 23 -14.233 -16.557 3.706 191 H SER 24 H SER 24 -8.138 -18.011 1.464 192 HA SER 24 HA SER 24 -8.687 -18.565 4.242 193 HB2 SER 24 1HB SER 24 -6.769 -19.460 2.245 194 HB3 SER 24 2HB SER 24 -5.968 -19.208 3.803 195 HG SER 24 HG SER 24 -7.725 -20.461 4.727 196 H HIS 25 H HIS 25 -6.463 -16.221 2.649 197 HA HIS 25 HA HIS 25 -5.375 -15.294 5.203 198 HB2 HIS 25 1HB HIS 25 -5.291 -13.968 2.473 199 HB3 HIS 25 2HB HIS 25 -4.315 -13.587 3.875 200 HD1 HIS 25 1HD HIS 25 -3.295 -14.513 0.953 201 HD2 HIS 25 2HD HIS 25 -3.573 -16.888 4.386 202 HE1 HIS 25 1HE HIS 25 -1.528 -16.379 0.693 203 H GLY 26 H GLY 26 -7.979 -14.432 2.872 204 HA2 GLY 26 2HA GLY 26 -9.978 -13.902 4.430 205 HA3 GLY 26 1HA GLY 26 -9.066 -12.438 4.776 206 H LEU 27 H LEU 27 -11.319 -11.743 3.903 207 HA LEU 27 HA LEU 27 -11.819 -11.745 1.090 208 HB2 LEU 27 1HB LEU 27 -12.760 -10.129 3.467 209 HB3 LEU 27 2HB LEU 27 -13.204 -9.611 1.859 210 HG LEU 27 HG LEU 27 -13.911 -12.293 3.107 211 HD11 LEU 27 1HD1 LEU 27 -16.215 -11.346 2.904 212 HD12 LEU 27 2HD1 LEU 27 -15.492 -9.799 2.366 213 HD13 LEU 27 3HD1 LEU 27 -15.188 -10.419 3.994 214 HD21 LEU 27 3HD2 LEU 27 -14.833 -11.137 0.439 215 HD22 LEU 27 1HD2 LEU 27 -15.312 -12.686 1.146 216 HD23 LEU 27 2HD2 LEU 27 -13.673 -12.469 0.579 217 H ALA 28 H ALA 28 -11.654 -10.172 -0.458 218 HA ALA 28 HA ALA 28 -10.719 -7.524 -0.007 219 HB1 ALA 28 1HB ALA 28 -8.763 -7.629 -1.541 220 HB2 ALA 28 2HB ALA 28 -8.488 -8.573 -0.052 221 HB3 ALA 28 3HB ALA 28 -8.894 -9.401 -1.570 222 H ALA 29 H ALA 29 -12.328 -6.603 -1.224 223 HA ALA 29 HA ALA 29 -12.771 -7.604 -4.011 224 HB1 ALA 29 1HB ALA 29 -14.634 -8.416 -2.651 225 HB2 ALA 29 2HB ALA 29 -14.885 -6.780 -1.981 226 HB3 ALA 29 3HB ALA 29 -15.189 -7.108 -3.693 227 H PHE 30 H PHE 30 -13.362 -6.043 -5.489 228 HA PHE 30 HA PHE 30 -12.005 -3.523 -5.226 229 HB2 PHE 30 1HB PHE 30 -12.199 -5.142 -7.186 230 HB3 PHE 30 2HB PHE 30 -13.815 -4.544 -7.464 231 HD1 PHE 30 2HD PHE 30 -13.064 -1.468 -6.902 232 HD2 PHE 30 1HD PHE 30 -11.281 -4.618 -9.248 233 HE1 PHE 30 2HE PHE 30 -11.959 0.194 -8.295 234 HE2 PHE 30 1HE PHE 30 -10.264 -2.903 -10.735 235 HZ PHE 30 HZ PHE 30 -10.590 -0.498 -10.253 236 H ARG 31 H ARG 31 -13.153 -2.345 -3.564 237 HA ARG 31 HA ARG 31 -16.021 -1.693 -4.091 238 HB2 ARG 31 1HB ARG 31 -15.235 -2.813 -1.910 239 HB3 ARG 31 2HB ARG 31 -14.382 -1.301 -1.610 240 HG2 ARG 31 1HG ARG 31 -16.341 -1.210 -0.324 241 HG3 ARG 31 2HG ARG 31 -16.591 -0.111 -1.645 242 HD2 ARG 31 1HD ARG 31 -18.516 -1.158 -2.137 243 HD3 ARG 31 2HD ARG 31 -17.608 -2.624 -2.521 244 HE ARG 31 HE ARG 31 -17.922 -3.462 -0.322 245 HH11 ARG 31 1HH1 ARG 31 -20.002 -0.710 -1.029 246 HH12 ARG 31 2HH1 ARG 31 -20.835 -0.735 0.473 247 HH21 ARG 31 1HH2 ARG 31 -19.113 -3.661 1.512 248 HH22 ARG 31 2HH2 ARG 31 -20.403 -2.584 1.963 249 H GLY 32 H GLY 32 -14.781 -0.491 -5.897 250 HA2 GLY 32 2HA GLY 32 -14.645 1.712 -6.726 251 HA3 GLY 32 1HA GLY 32 -14.524 2.312 -5.066 252 H ARG 33 H ARG 33 -12.901 3.596 -6.469 253 HA ARG 33 HA ARG 33 -10.219 2.439 -5.968 254 HB2 ARG 33 1HB ARG 33 -9.303 2.901 -8.049 255 HB3 ARG 33 2HB ARG 33 -10.856 2.148 -8.418 256 HG2 ARG 33 1HG ARG 33 -11.702 4.649 -8.612 257 HG3 ARG 33 2HG ARG 33 -9.968 5.034 -8.674 258 HD2 ARG 33 1HD ARG 33 -9.861 3.131 -10.400 259 HD3 ARG 33 2HD ARG 33 -11.608 3.377 -10.602 260 HE ARG 33 HE ARG 33 -10.869 5.866 -11.034 261 HH11 ARG 33 1HH1 ARG 33 -9.428 2.908 -12.308 262 HH12 ARG 33 2HH1 ARG 33 -8.552 3.720 -13.572 263 HH21 ARG 33 1HH2 ARG 33 -9.801 6.905 -12.657 264 HH22 ARG 33 2HH2 ARG 33 -8.738 6.093 -13.774 265 H GLY 34 H GLY 34 -8.456 4.339 -6.255 266 HA2 GLY 34 2HA GLY 34 -9.512 6.938 -5.554 267 HA3 GLY 34 1HA GLY 34 -8.876 5.993 -4.156 268 H CYS 35 H CYS 35 -7.849 8.224 -4.283 269 HA CYS 35 HA CYS 35 -5.146 7.430 -4.863 270 HB2 CYS 35 1HB CYS 35 -4.516 9.388 -5.970 271 HB3 CYS 35 2HB CYS 35 -5.910 8.814 -6.848 272 HG CYS 35 HG CYS 35 -5.800 11.470 -6.748 273 H THR 36 H THR 36 -3.436 8.712 -3.474 274 HA THR 36 HA THR 36 -4.715 9.608 -1.000 275 HB THR 36 HB THR 36 -2.602 9.736 -0.081 276 HG1 THR 36 1HG THR 36 -1.488 10.884 -1.557 277 HG21 THR 36 3HG2 THR 36 -2.199 7.566 -2.148 278 HG22 THR 36 1HG2 THR 36 -3.138 7.374 -0.589 279 HG23 THR 36 2HG2 THR 36 -1.402 7.694 -0.586 280 H VAL 37 H VAL 37 -5.890 11.587 -1.262 281 HA VAL 37 HA VAL 37 -4.862 13.627 -3.055 282 HB VAL 37 HB VAL 37 -6.633 15.062 -1.708 283 HG11 VAL 37 1HG1 VAL 37 -7.244 12.768 -3.588 284 HG12 VAL 37 2HG1 VAL 37 -8.322 14.165 -3.261 285 HG13 VAL 37 3HG1 VAL 37 -6.755 14.397 -4.039 286 HG21 VAL 37 3HG2 VAL 37 -7.660 12.250 -1.063 287 HG22 VAL 37 1HG2 VAL 37 -7.015 13.392 0.139 288 HG23 VAL 37 2HG2 VAL 37 -8.475 13.785 -0.763 289 H GLU 38 H GLU 38 -4.464 12.989 0.344 290 HA GLU 38 HA GLU 38 -2.564 15.228 0.660 291 HB2 GLU 38 1HB GLU 38 -3.649 13.007 2.328 292 HB3 GLU 38 2HB GLU 38 -1.906 13.241 2.501 293 HG2 GLU 38 1HG GLU 38 -2.076 15.291 3.445 294 HG3 GLU 38 2HG GLU 38 -3.545 15.730 2.555 295 H SER 39 H SER 39 -0.780 15.118 -0.600 296 HA SER 39 HA SER 39 0.174 12.780 -1.898 297 HB2 SER 39 1HB SER 39 1.823 15.140 -0.906 298 HB3 SER 39 2HB SER 39 2.144 14.108 -2.299 299 HG SER 39 HG SER 39 -0.077 14.970 -2.985 300 H PHE 40 H PHE 40 1.861 11.263 -1.169 301 HA PHE 40 HA PHE 40 2.937 11.684 1.613 302 HB2 PHE 40 1HB PHE 40 1.574 9.207 0.430 303 HB3 PHE 40 2HB PHE 40 2.785 9.089 1.710 304 HD1 PHE 40 1HD PHE 40 2.356 9.939 3.983 305 HD2 PHE 40 2HD PHE 40 -0.616 10.081 0.898 306 HE1 PHE 40 1HE PHE 40 0.585 10.376 5.707 307 HE2 PHE 40 2HE PHE 40 -2.368 10.450 2.604 308 HZ PHE 40 HZ PHE 40 -1.840 10.473 4.962 309 HA PRO 41 HA PRO 41 6.642 10.574 -0.695 310 HB2 PRO 41 1HB PRO 41 8.300 9.924 1.408 311 HB3 PRO 41 2HB PRO 41 7.840 11.605 0.952 312 HG2 PRO 41 1HG PRO 41 6.568 9.799 3.016 313 HG3 PRO 41 2HG PRO 41 7.034 11.526 3.225 314 HD2 PRO 41 1HD PRO 41 4.536 10.771 2.794 315 HD3 PRO 41 2HD PRO 41 5.204 12.227 1.993 316 H LEU 42 H LEU 42 6.871 8.835 -1.868 317 HA LEU 42 HA LEU 42 6.661 6.108 -0.726 318 HB2 LEU 42 1HB LEU 42 4.972 6.975 -2.471 319 HB3 LEU 42 2HB LEU 42 6.312 7.169 -3.564 320 HG LEU 42 HG LEU 42 6.815 4.778 -3.393 321 HD11 LEU 42 1HD1 LEU 42 5.616 4.187 -1.316 322 HD12 LEU 42 2HD1 LEU 42 5.112 3.165 -2.655 323 HD13 LEU 42 3HD1 LEU 42 4.069 4.496 -2.121 324 HD21 LEU 42 3HD2 LEU 42 5.632 5.604 -5.372 325 HD22 LEU 42 1HD2 LEU 42 4.081 5.453 -4.556 326 HD23 LEU 42 2HD2 LEU 42 5.029 4.005 -4.989 327 H VAL 43 H VAL 43 8.755 5.147 -0.489 328 HA VAL 43 HA VAL 43 10.708 5.771 -2.665 329 HB VAL 43 HB VAL 43 12.537 5.873 -1.087 330 HG11 VAL 43 1HG1 VAL 43 12.085 8.051 -0.075 331 HG12 VAL 43 2HG1 VAL 43 11.446 7.933 -1.712 332 HG13 VAL 43 3HG1 VAL 43 10.342 7.836 -0.318 333 HG21 VAL 43 3HG2 VAL 43 11.717 4.508 0.770 334 HG22 VAL 43 1HG2 VAL 43 12.194 6.105 1.358 335 HG23 VAL 43 2HG2 VAL 43 10.471 5.735 1.143 336 H ILE 44 H ILE 44 12.146 4.191 -3.221 337 HA ILE 44 HA ILE 44 11.567 1.397 -2.346 338 HB ILE 44 HB ILE 44 13.545 2.406 -4.438 339 HG12 ILE 44 1HG1 ILE 44 10.673 1.398 -4.712 340 HG13 ILE 44 2HG1 ILE 44 11.308 3.014 -5.078 341 HG21 ILE 44 1HG2 ILE 44 12.451 -0.424 -4.064 342 HG22 ILE 44 2HG2 ILE 44 13.751 0.091 -5.171 343 HG23 ILE 44 3HG2 ILE 44 14.032 0.113 -3.452 344 HD11 ILE 44 3HD1 ILE 44 10.910 1.911 -7.115 345 HD12 ILE 44 1HD1 ILE 44 12.646 2.158 -6.899 346 HD13 ILE 44 2HD1 ILE 44 11.926 0.531 -6.645 347 H ALA 45 H ALA 45 12.802 0.461 -0.707 348 HA ALA 45 HA ALA 45 15.582 1.416 -0.403 349 HB1 ALA 45 1HB ALA 45 13.597 1.244 1.906 350 HB2 ALA 45 2HB ALA 45 15.327 1.634 2.017 351 HB3 ALA 45 3HB ALA 45 14.230 2.745 1.191 352 H GLY 46 H GLY 46 16.767 0.037 1.168 353 HA2 GLY 46 2HA GLY 46 17.330 -1.844 2.291 354 HA3 GLY 46 1HA GLY 46 15.766 -2.538 1.977 355 H GLU 47 H GLU 47 17.308 -4.479 1.747 356 HA GLU 47 HA GLU 47 18.960 -4.471 -0.667 357 HB2 GLU 47 1HB GLU 47 19.508 -5.349 1.820 358 HB3 GLU 47 2HB GLU 47 18.868 -6.857 1.132 359 HG2 GLU 47 1HG GLU 47 20.430 -6.501 -0.839 360 HG3 GLU 47 2HG GLU 47 21.098 -5.101 -0.006 361 H HIS 48 H HIS 48 15.740 -5.297 -0.148 362 HA HIS 48 HA HIS 48 15.842 -7.237 -2.403 363 HB2 HIS 48 1HB HIS 48 14.190 -7.219 0.118 364 HB3 HIS 48 2HB HIS 48 13.576 -7.983 -1.308 365 HD1 HIS 48 1HD HIS 48 14.543 -10.463 -1.907 366 HD2 HIS 48 2HD HIS 48 16.370 -8.221 1.111 367 HE1 HIS 48 1HE HIS 48 16.196 -12.044 -0.803 368 H ASN 49 H ASN 49 15.489 -4.164 -2.017 369 HA ASN 49 HA ASN 49 14.396 -2.432 -2.947 370 HB2 ASN 49 1HB ASN 49 13.700 -4.436 -5.097 371 HB3 ASN 49 2HB ASN 49 13.549 -2.690 -5.261 372 HD21 ASN 49 1HD2 ASN 49 15.354 -5.000 -6.454 373 HD22 ASN 49 2HD2 ASN 49 16.964 -4.306 -6.371 374 H ILE 50 H ILE 50 13.056 -2.638 -1.056 375 HA ILE 50 HA ILE 50 10.341 -3.625 -1.275 376 HB ILE 50 HB ILE 50 12.050 -3.113 1.153 377 HG12 ILE 50 1HG1 ILE 50 10.669 -5.586 0.011 378 HG13 ILE 50 2HG1 ILE 50 12.365 -5.247 -0.277 379 HG21 ILE 50 1HG2 ILE 50 10.112 -3.919 2.459 380 HG22 ILE 50 2HG2 ILE 50 9.705 -2.429 1.631 381 HG23 ILE 50 3HG2 ILE 50 9.147 -3.984 0.971 382 HD11 ILE 50 3HD1 ILE 50 12.767 -5.428 2.205 383 HD12 ILE 50 1HD1 ILE 50 11.069 -5.929 2.399 384 HD13 ILE 50 2HD1 ILE 50 12.188 -6.909 1.453 385 HA PRO 51 HA PRO 51 9.603 0.893 -1.766 386 HB2 PRO 51 1HB PRO 51 7.106 0.682 -2.794 387 HB3 PRO 51 2HB PRO 51 8.592 0.402 -3.766 388 HG2 PRO 51 1HG PRO 51 6.772 -1.655 -2.496 389 HG3 PRO 51 2HG PRO 51 7.437 -1.621 -4.162 390 HD2 PRO 51 1HD PRO 51 8.574 -3.039 -2.131 391 HD3 PRO 51 2HD PRO 51 9.537 -2.308 -3.450 392 H TRP 52 H TRP 52 8.998 2.081 -0.003 393 HA TRP 52 HA TRP 52 6.835 1.099 1.815 394 HB2 TRP 52 1HB TRP 52 9.062 3.018 2.513 395 HB3 TRP 52 2HB TRP 52 7.926 2.286 3.611 396 HD1 TRP 52 HD TRP 52 10.920 1.221 1.422 397 HE1 TRP 52 1HE TRP 52 12.086 -0.786 2.477 398 HE3 TRP 52 3HE TRP 52 7.996 0.722 5.562 399 HZ2 TRP 52 2HZ TRP 52 11.778 -2.434 4.852 400 HZ3 TRP 52 3HZ TRP 52 8.438 -1.033 7.200 401 HH2 TRP 52 HH TRP 52 10.332 -2.648 6.870 402 H LEU 53 H LEU 53 5.408 2.812 2.648 403 HA LEU 53 HA LEU 53 5.695 5.502 1.417 404 HB2 LEU 53 1HB LEU 53 3.593 4.113 0.825 405 HB3 LEU 53 2HB LEU 53 3.164 4.240 2.522 406 HG LEU 53 HG LEU 53 3.458 6.846 2.167 407 HD11 LEU 53 1HD1 LEU 53 3.090 7.605 -0.126 408 HD12 LEU 53 2HD1 LEU 53 2.934 5.937 -0.701 409 HD13 LEU 53 3HD1 LEU 53 4.490 6.549 -0.115 410 HD21 LEU 53 3HD2 LEU 53 1.109 6.993 1.171 411 HD22 LEU 53 1HD2 LEU 53 1.259 6.021 2.626 412 HD23 LEU 53 2HD2 LEU 53 1.142 5.220 1.041 413 H LEU 54 H LEU 54 6.406 6.958 2.816 414 HA LEU 54 HA LEU 54 6.364 6.352 5.719 415 HB2 LEU 54 1HB LEU 54 7.554 8.814 4.427 416 HB3 LEU 54 2HB LEU 54 7.818 8.224 6.034 417 HG LEU 54 HG LEU 54 8.764 6.925 3.437 418 HD11 LEU 54 1HD1 LEU 54 10.350 8.300 5.634 419 HD12 LEU 54 2HD1 LEU 54 9.975 8.982 4.031 420 HD13 LEU 54 3HD1 LEU 54 10.988 7.531 4.157 421 HD21 LEU 54 3HD2 LEU 54 8.537 5.091 4.796 422 HD22 LEU 54 1HD2 LEU 54 8.803 6.008 6.312 423 HD23 LEU 54 2HD2 LEU 54 10.158 5.592 5.248 424 H TYR 55 H TYR 55 5.194 7.647 7.206 425 HA TYR 55 HA TYR 55 2.801 8.847 6.023 426 HB2 TYR 55 1HB TYR 55 2.759 7.420 8.063 427 HB3 TYR 55 2HB TYR 55 3.588 8.673 8.954 428 HD1 TYR 55 1HD TYR 55 0.559 8.037 6.878 429 HD2 TYR 55 2HD TYR 55 2.316 10.496 9.920 430 HE1 TYR 55 1HE TYR 55 -1.716 8.900 7.471 431 HE2 TYR 55 2HE TYR 55 0.081 11.478 10.430 432 HH TYR 55 HH TYR 55 -2.859 10.762 8.676 433 H LEU 56 H LEU 56 3.600 10.657 4.920 434 HA LEU 56 HA LEU 56 3.978 12.931 6.702 435 HB2 LEU 56 1HB LEU 56 6.204 12.074 5.510 436 HB3 LEU 56 2HB LEU 56 5.685 13.156 4.267 437 HG LEU 56 HG LEU 56 5.434 14.280 7.046 438 HD11 LEU 56 1HD1 LEU 56 7.398 13.042 7.379 439 HD12 LEU 56 2HD1 LEU 56 7.835 14.745 7.208 440 HD13 LEU 56 3HD1 LEU 56 8.128 13.613 5.858 441 HD21 LEU 56 3HD2 LEU 56 5.047 15.617 4.943 442 HD22 LEU 56 1HD2 LEU 56 6.801 15.483 4.636 443 HD23 LEU 56 2HD2 LEU 56 6.201 16.303 6.093 444 HA PRO 57 HA PRO 57 0.538 13.457 3.746 445 HB2 PRO 57 1HB PRO 57 -0.913 15.212 5.313 446 HB3 PRO 57 2HB PRO 57 -0.945 13.428 5.490 447 HG2 PRO 57 1HG PRO 57 0.640 15.456 7.077 448 HG3 PRO 57 2HG PRO 57 -0.310 14.056 7.680 449 HD2 PRO 57 1HD PRO 57 2.404 13.956 7.321 450 HD3 PRO 57 2HD PRO 57 1.374 12.524 7.038 451 H GLY 58 H GLY 58 0.785 14.793 2.104 452 HA2 GLY 58 2HA GLY 58 0.774 16.863 1.000 453 HA3 GLY 58 1HA GLY 58 1.301 17.681 2.474 454 H LYS 59 H LYS 59 3.289 14.864 1.872 455 HA LYS 59 HA LYS 59 5.220 16.449 0.235 456 HB2 LYS 59 1HB LYS 59 5.953 16.318 2.562 457 HB3 LYS 59 2HB LYS 59 5.583 14.596 2.615 458 HG2 LYS 59 1HG LYS 59 7.939 14.913 2.616 459 HG3 LYS 59 2HG LYS 59 7.469 14.087 1.146 460 HD2 LYS 59 1HD LYS 59 8.221 15.763 -0.190 461 HD3 LYS 59 2HD LYS 59 7.578 17.037 0.841 462 HE2 LYS 59 1HE LYS 59 9.450 16.941 2.338 463 HE3 LYS 59 2HE LYS 59 10.074 15.461 1.600 464 HZ1 LYS 59 3HZ LYS 59 9.777 17.741 -0.175 465 HZ2 LYS 59 1HZ LYS 59 10.953 16.622 -0.133 466 HZ3 LYS 59 2HZ LYS 59 10.978 17.879 0.914 467 H GLY 60 H GLY 60 6.504 14.933 -1.229 468 HA2 GLY 60 2HA GLY 60 6.760 12.958 -2.482 469 HA3 GLY 60 1HA GLY 60 5.542 12.161 -1.488 470 H HIS 61 H HIS 61 3.853 11.583 -2.804 471 HA HIS 61 HA HIS 61 2.773 13.534 -4.765 472 HB2 HIS 61 1HB HIS 61 3.628 10.674 -5.390 473 HB3 HIS 61 2HB HIS 61 2.891 11.860 -6.492 474 HD1 HIS 61 1HD HIS 61 4.322 13.735 -7.638 475 HD2 HIS 61 2HD HIS 61 6.338 11.146 -5.006 476 HE1 HIS 61 1HE HIS 61 6.793 14.240 -7.890 477 H CYS 62 H CYS 62 0.785 12.492 -5.869 478 HA CYS 62 HA CYS 62 -0.965 11.540 -3.727 479 HB2 CYS 62 1HB CYS 62 -1.647 12.713 -6.459 480 HB3 CYS 62 2HB CYS 62 -2.746 12.479 -5.105 481 HG CYS 62 HG CYS 62 -0.166 14.512 -5.510 482 H VAL 63 H VAL 63 -0.462 9.405 -3.694 483 HA VAL 63 HA VAL 63 -0.147 8.060 -6.162 484 HB VAL 63 HB VAL 63 1.085 7.654 -4.415 485 HG11 VAL 63 1HG1 VAL 63 0.119 8.027 -2.468 486 HG12 VAL 63 2HG1 VAL 63 -0.509 6.308 -2.457 487 HG13 VAL 63 3HG1 VAL 63 1.240 6.705 -2.538 488 HG21 VAL 63 3HG2 VAL 63 1.393 5.231 -4.402 489 HG22 VAL 63 1HG2 VAL 63 -0.351 5.018 -4.633 490 HG23 VAL 63 2HG2 VAL 63 0.634 5.663 -5.947 491 H THR 64 H THR 64 -1.334 6.532 -7.303 492 HA THR 64 HA THR 64 -4.201 6.635 -6.545 493 HB THR 64 HB THR 64 -4.811 6.206 -8.675 494 HG1 THR 64 1HG THR 64 -2.179 5.485 -9.392 495 HG21 THR 64 3HG2 THR 64 -2.243 7.799 -9.094 496 HG22 THR 64 1HG2 THR 64 -3.772 8.445 -8.481 497 HG23 THR 64 2HG2 THR 64 -3.683 7.786 -10.122 498 H GLY 65 H GLY 65 -5.456 4.676 -6.383 499 HA2 GLY 65 2HA GLY 65 -4.135 2.091 -6.400 500 HA3 GLY 65 1HA GLY 65 -4.523 2.697 -4.771 501 H GLU 66 H GLU 66 -5.850 0.630 -5.023 502 HA GLU 66 HA GLU 66 -8.533 1.189 -6.100 503 HB2 GLU 66 1HB GLU 66 -7.324 -0.694 -7.081 504 HB3 GLU 66 2HB GLU 66 -7.105 -1.449 -5.507 505 HG2 GLU 66 1HG GLU 66 -9.491 -1.943 -5.372 506 HG3 GLU 66 2HG GLU 66 -9.808 -0.959 -6.806 507 H ILE 67 H ILE 67 -10.302 0.422 -4.493 508 HA ILE 67 HA ILE 67 -9.337 0.737 -1.696 509 HB ILE 67 HB ILE 67 -11.954 1.675 -2.907 510 HG12 ILE 67 1HG1 ILE 67 -9.627 3.312 -1.781 511 HG13 ILE 67 2HG1 ILE 67 -9.943 3.093 -3.500 512 HG21 ILE 67 1HG2 ILE 67 -12.056 0.831 -0.512 513 HG22 ILE 67 2HG2 ILE 67 -10.870 2.068 -0.066 514 HG23 ILE 67 3HG2 ILE 67 -12.489 2.517 -0.680 515 HD11 ILE 67 3HD1 ILE 67 -10.839 5.221 -2.853 516 HD12 ILE 67 1HD1 ILE 67 -12.185 4.122 -3.224 517 HD13 ILE 67 2HD1 ILE 67 -11.779 4.499 -1.534 518 H TYR 68 H TYR 68 -9.421 -1.199 -0.760 519 HA TYR 68 HA TYR 68 -11.152 -3.264 -1.985 520 HB2 TYR 68 1HB TYR 68 -8.819 -3.499 -0.066 521 HB3 TYR 68 2HB TYR 68 -9.857 -4.834 -0.521 522 HD1 TYR 68 1HD TYR 68 -10.176 -5.488 -2.851 523 HD2 TYR 68 2HD TYR 68 -7.032 -2.713 -1.708 524 HE1 TYR 68 1HE TYR 68 -9.116 -5.795 -5.031 525 HE2 TYR 68 2HE TYR 68 -5.971 -3.120 -3.929 526 HH TYR 68 HH TYR 68 -7.630 -4.550 -6.480 527 H GLU 69 H GLU 69 -13.042 -3.758 -1.063 528 HA GLU 69 HA GLU 69 -13.505 -3.331 1.819 529 HB2 GLU 69 1HB GLU 69 -15.531 -3.370 0.420 530 HB3 GLU 69 2HB GLU 69 -15.143 -5.022 -0.120 531 HG2 GLU 69 1HG GLU 69 -15.149 -5.758 2.298 532 HG3 GLU 69 2HG GLU 69 -15.528 -4.115 2.776 533 H VAL 70 H VAL 70 -12.189 -4.418 3.051 534 HA VAL 70 HA VAL 70 -11.660 -7.298 2.521 535 HB VAL 70 HB VAL 70 -9.804 -7.060 4.119 536 HG11 VAL 70 1HG1 VAL 70 -8.232 -5.865 2.686 537 HG12 VAL 70 2HG1 VAL 70 -9.358 -6.799 1.691 538 HG13 VAL 70 3HG1 VAL 70 -9.569 -5.048 1.851 539 HG21 VAL 70 3HG2 VAL 70 -10.315 -4.067 4.074 540 HG22 VAL 70 1HG2 VAL 70 -10.571 -5.147 5.465 541 HG23 VAL 70 2HG2 VAL 70 -8.938 -4.895 4.832 542 H ASP 71 H ASP 71 -11.724 -8.547 4.670 543 HA ASP 71 HA ASP 71 -13.340 -7.183 6.751 544 HB2 ASP 71 1HB ASP 71 -13.849 -9.906 5.621 545 HB3 ASP 71 2HB ASP 71 -13.985 -9.720 7.338 546 H GLU 72 H GLU 72 -13.097 -8.474 8.776 547 HA GLU 72 HA GLU 72 -10.824 -7.711 9.956 548 HB2 GLU 72 1HB GLU 72 -13.092 -9.284 10.742 549 HB3 GLU 72 2HB GLU 72 -11.656 -10.192 11.262 550 HG2 GLU 72 1HG GLU 72 -10.782 -7.959 12.173 551 HG3 GLU 72 2HG GLU 72 -12.418 -7.345 11.930 552 H GLN 73 H GLN 73 -11.335 -10.939 8.622 553 HA GLN 73 HA GLN 73 -8.993 -12.120 9.531 554 HB2 GLN 73 1HB GLN 73 -11.079 -13.184 8.510 555 HB3 GLN 73 2HB GLN 73 -10.406 -12.765 6.930 556 HG2 GLN 73 1HG GLN 73 -10.047 -15.154 7.695 557 HG3 GLN 73 2HG GLN 73 -8.582 -14.300 7.216 558 HE21 GLN 73 1HE2 GLN 73 -6.978 -13.871 8.745 559 HE22 GLN 73 2HE2 GLN 73 -7.112 -14.297 10.444 560 H MET 74 H MET 74 -9.526 -10.166 6.585 561 HA MET 74 HA MET 74 -6.874 -10.909 5.470 562 HB2 MET 74 1HB MET 74 -8.609 -10.416 3.882 563 HB3 MET 74 2HB MET 74 -9.063 -8.962 4.691 564 HG2 MET 74 1HG MET 74 -7.871 -8.464 2.632 565 HG3 MET 74 2HG MET 74 -6.982 -7.852 4.008 566 HE1 MET 74 3HE MET 74 -5.755 -11.742 1.805 567 HE2 MET 74 1HE MET 74 -6.994 -11.647 3.066 568 HE3 MET 74 2HE MET 74 -7.292 -10.872 1.499 569 H LEU 75 H LEU 75 -8.430 -8.118 7.055 570 HA LEU 75 HA LEU 75 -6.078 -6.507 6.901 571 HB2 LEU 75 1HB LEU 75 -8.689 -6.099 7.743 572 HB3 LEU 75 2HB LEU 75 -7.806 -6.078 9.240 573 HG LEU 75 HG LEU 75 -7.628 -4.173 6.928 574 HD11 LEU 75 1HD1 LEU 75 -9.250 -3.531 8.532 575 HD12 LEU 75 2HD1 LEU 75 -7.824 -2.562 8.963 576 HD13 LEU 75 3HD1 LEU 75 -8.213 -3.980 9.911 577 HD21 LEU 75 3HD2 LEU 75 -5.593 -4.218 9.183 578 HD22 LEU 75 1HD2 LEU 75 -5.768 -2.975 7.921 579 HD23 LEU 75 2HD2 LEU 75 -5.265 -4.601 7.482 580 H ARG 76 H ARG 76 -7.068 -9.028 9.248 581 HA ARG 76 HA ARG 76 -4.947 -8.493 11.178 582 HB2 ARG 76 1HB ARG 76 -6.698 -10.926 10.606 583 HB3 ARG 76 2HB ARG 76 -5.379 -10.977 11.776 584 HG2 ARG 76 1HG ARG 76 -6.383 -9.145 13.071 585 HG3 ARG 76 2HG ARG 76 -7.741 -9.093 11.937 586 HD2 ARG 76 1HD ARG 76 -8.143 -11.541 12.421 587 HD3 ARG 76 2HD ARG 76 -6.934 -11.407 13.702 588 HE ARG 76 HE ARG 76 -9.088 -9.423 13.846 589 HH11 ARG 76 1HH1 ARG 76 -7.910 -12.575 15.084 590 HH12 ARG 76 2HH1 ARG 76 -9.218 -12.718 16.207 591 HH21 ARG 76 1HH2 ARG 76 -10.809 -9.668 15.356 592 HH22 ARG 76 2HH2 ARG 76 -10.754 -11.023 16.450 593 H PHE 77 H PHE 77 -5.209 -10.532 8.270 594 HA PHE 77 HA PHE 77 -2.664 -11.835 8.582 595 HB2 PHE 77 1HB PHE 77 -4.142 -12.805 7.000 596 HB3 PHE 77 2HB PHE 77 -4.505 -11.271 6.254 597 HD1 PHE 77 2HD PHE 77 -1.421 -13.389 6.877 598 HD2 PHE 77 1HD PHE 77 -3.522 -10.693 4.260 599 HE1 PHE 77 2HE PHE 77 0.290 -13.754 5.116 600 HE2 PHE 77 1HE PHE 77 -1.785 -10.986 2.544 601 HZ PHE 77 HZ PHE 77 0.115 -12.553 2.944 602 H LEU 78 H LEU 78 -3.604 -8.817 6.853 603 HA LEU 78 HA LEU 78 -0.980 -8.106 6.050 604 HB2 LEU 78 1HB LEU 78 -3.491 -6.529 6.674 605 HB3 LEU 78 2HB LEU 78 -1.976 -5.685 6.406 606 HG LEU 78 HG LEU 78 -1.828 -6.161 4.184 607 HD11 LEU 78 1HD1 LEU 78 -3.794 -8.442 4.531 608 HD12 LEU 78 2HD1 LEU 78 -2.067 -8.587 4.142 609 HD13 LEU 78 3HD1 LEU 78 -3.184 -7.872 2.970 610 HD21 LEU 78 3HD2 LEU 78 -3.793 -4.709 4.708 611 HD22 LEU 78 1HD2 LEU 78 -4.842 -6.147 4.697 612 HD23 LEU 78 2HD2 LEU 78 -4.024 -5.621 3.212 613 H ASP 79 H ASP 79 -2.709 -7.435 9.105 614 HA ASP 79 HA ASP 79 -0.779 -5.864 10.356 615 HB2 ASP 79 1HB ASP 79 -3.278 -6.452 10.897 616 HB3 ASP 79 2HB ASP 79 -2.601 -7.735 11.886 617 H ASP 80 H ASP 80 -0.126 -8.836 9.416 618 HA ASP 80 HA ASP 80 1.801 -9.505 11.604 619 HB2 ASP 80 1HB ASP 80 -0.210 -10.989 11.655 620 HB3 ASP 80 2HB ASP 80 0.090 -11.452 9.986 621 H PHE 81 H PHE 81 0.837 -10.048 8.201 622 HA PHE 81 HA PHE 81 3.312 -10.968 7.209 623 HB2 PHE 81 1HB PHE 81 1.163 -11.295 6.087 624 HB3 PHE 81 2HB PHE 81 0.957 -9.563 5.893 625 HD1 PHE 81 2HD PHE 81 4.020 -11.667 5.160 626 HD2 PHE 81 1HD PHE 81 0.845 -9.210 3.582 627 HE1 PHE 81 2HE PHE 81 5.035 -11.787 2.908 628 HE2 PHE 81 1HE PHE 81 1.892 -9.303 1.341 629 HZ PHE 81 HZ PHE 81 3.995 -10.592 0.995 630 H GLU 82 H GLU 82 1.959 -7.633 7.407 631 HA GLU 82 HA GLU 82 4.317 -6.459 6.130 632 HB2 GLU 82 1HB GLU 82 2.061 -5.087 7.633 633 HB3 GLU 82 2HB GLU 82 3.196 -4.322 6.567 634 HG2 GLU 82 1HG GLU 82 1.192 -6.404 5.593 635 HG3 GLU 82 2HG GLU 82 0.926 -4.671 5.598 636 H ASP 83 H ASP 83 4.194 -8.042 8.860 637 HA ASP 83 HA ASP 83 5.280 -8.176 10.757 638 HB2 ASP 83 1HB ASP 83 7.077 -8.007 8.864 639 HB3 ASP 83 2HB ASP 83 7.373 -6.417 9.537 640 H CYS 84 H CYS 84 3.623 -5.647 10.462 641 HA CYS 84 HA CYS 84 4.836 -3.582 11.934 642 HB2 CYS 84 1HB CYS 84 2.411 -2.887 12.373 643 HB3 CYS 84 2HB CYS 84 2.862 -3.102 10.659 644 HG CYS 84 HG CYS 84 1.775 -5.704 12.278 645 HA PRO 85 HA PRO 85 3.914 -1.959 13.684 646 HB2 PRO 85 1HB PRO 85 4.975 -1.088 16.041 647 HB3 PRO 85 2HB PRO 85 3.254 -1.527 15.830 648 HG2 PRO 85 1HG PRO 85 5.488 -3.213 16.998 649 HG3 PRO 85 2HG PRO 85 3.827 -2.970 17.630 650 HD2 PRO 85 1HD PRO 85 4.539 -5.154 16.151 651 HD3 PRO 85 2HD PRO 85 2.904 -4.435 16.072 652 H SER 86 H SER 86 6.490 -4.217 13.951 653 HA SER 86 HA SER 86 8.734 -2.593 14.295 654 HB2 SER 86 1HB SER 86 8.573 -5.146 12.692 655 HB3 SER 86 2HB SER 86 9.961 -4.507 13.603 656 HG SER 86 HG SER 86 8.811 -6.082 14.851 657 H MET 87 H MET 87 7.581 -4.038 11.193 658 HA MET 87 HA MET 87 9.364 -2.295 9.691 659 HB2 MET 87 1HB MET 87 7.218 -4.250 8.867 660 HB3 MET 87 2HB MET 87 8.104 -3.236 7.758 661 HG2 MET 87 1HG MET 87 10.186 -4.296 8.379 662 HG3 MET 87 2HG MET 87 9.364 -5.318 9.534 663 HE1 MET 87 3HE MET 87 8.875 -4.251 5.646 664 HE2 MET 87 1HE MET 87 8.137 -5.744 5.029 665 HE3 MET 87 2HE MET 87 7.260 -4.760 6.208 666 H TYR 88 H TYR 88 5.820 -2.710 9.305 667 HA TYR 88 HA TYR 88 5.488 0.217 8.863 668 HB2 TYR 88 1HB TYR 88 3.718 -2.177 8.202 669 HB3 TYR 88 2HB TYR 88 3.324 -0.501 7.858 670 HD1 TYR 88 2HD TYR 88 4.732 0.838 6.247 671 HD2 TYR 88 1HD TYR 88 5.129 -3.421 6.703 672 HE1 TYR 88 2HE TYR 88 5.859 0.709 4.046 673 HE2 TYR 88 1HE TYR 88 6.236 -3.564 4.490 674 HH TYR 88 HH TYR 88 6.879 -2.389 2.582 675 H GLN 89 H GLN 89 2.979 0.800 9.626 676 HA GLN 89 HA GLN 89 1.974 -1.008 11.576 677 HB2 GLN 89 1HB GLN 89 1.654 0.581 13.432 678 HB3 GLN 89 2HB GLN 89 3.271 -0.027 13.252 679 HG2 GLN 89 1HG GLN 89 2.383 2.650 12.255 680 HG3 GLN 89 2HG GLN 89 3.028 2.366 13.861 681 HE21 GLN 89 1HE2 GLN 89 5.322 0.490 12.804 682 HE22 GLN 89 2HE2 GLN 89 6.374 1.586 12.017 683 H ARG 90 H ARG 90 -0.300 -0.720 11.952 684 HA ARG 90 HA ARG 90 -1.642 0.363 9.708 685 HB2 ARG 90 1HB ARG 90 -2.499 -1.491 11.071 686 HB3 ARG 90 2HB ARG 90 -2.759 -0.436 12.446 687 HG2 ARG 90 1HG ARG 90 -4.120 0.264 9.860 688 HG3 ARG 90 2HG ARG 90 -4.703 -1.143 10.691 689 HD2 ARG 90 1HD ARG 90 -4.678 1.712 11.695 690 HD3 ARG 90 2HD ARG 90 -6.049 0.708 11.192 691 HE ARG 90 HE ARG 90 -4.629 -0.387 13.500 692 HH11 ARG 90 1HH1 ARG 90 -7.316 1.522 12.339 693 HH12 ARG 90 2HH1 ARG 90 -8.107 1.739 13.855 694 HH21 ARG 90 1HH2 ARG 90 -5.579 -0.149 15.583 695 HH22 ARG 90 2HH2 ARG 90 -7.072 0.732 15.795 696 H THR 91 H THR 91 -2.213 2.445 9.198 697 HA THR 91 HA THR 91 -3.105 4.253 11.347 698 HB THR 91 HB THR 91 -1.387 5.019 8.955 699 HG1 THR 91 1HG THR 91 -0.817 4.871 11.762 700 HG21 THR 91 3HG2 THR 91 -2.265 6.805 11.237 701 HG22 THR 91 1HG2 THR 91 -2.653 6.985 9.507 702 HG23 THR 91 2HG2 THR 91 -0.993 7.184 10.047 703 H ALA 92 H ALA 92 -4.418 6.076 10.143 704 HA ALA 92 HA ALA 92 -5.837 5.042 7.755 705 HB1 ALA 92 1HB ALA 92 -6.934 6.455 10.238 706 HB2 ALA 92 2HB ALA 92 -7.831 6.222 8.739 707 HB3 ALA 92 3HB ALA 92 -7.347 4.809 9.702 708 H LEU 93 H LEU 93 -6.015 6.394 6.158 709 HA LEU 93 HA LEU 93 -5.193 9.225 6.505 710 HB2 LEU 93 1HB LEU 93 -3.710 9.173 4.754 711 HB3 LEU 93 2HB LEU 93 -3.371 7.745 5.623 712 HG LEU 93 HG LEU 93 -3.170 6.928 3.477 713 HD11 LEU 93 1HD1 LEU 93 -5.146 5.782 2.651 714 HD12 LEU 93 2HD1 LEU 93 -6.233 6.745 3.619 715 HD13 LEU 93 3HD1 LEU 93 -5.185 5.644 4.425 716 HD21 LEU 93 3HD2 LEU 93 -3.884 9.171 2.460 717 HD22 LEU 93 1HD2 LEU 93 -5.499 8.497 2.397 718 HD23 LEU 93 2HD2 LEU 93 -4.185 7.696 1.523 719 H GLN 94 H GLN 94 -5.742 10.349 4.285 720 HA GLN 94 HA GLN 94 -8.651 9.965 3.818 721 HB2 GLN 94 1HB GLN 94 -7.786 12.104 4.892 722 HB3 GLN 94 2HB GLN 94 -6.953 12.446 3.383 723 HG2 GLN 94 1HG GLN 94 -8.967 13.672 3.242 724 HG3 GLN 94 2HG GLN 94 -9.275 12.255 2.228 725 HE21 GLN 94 1HE2 GLN 94 -10.990 10.760 2.960 726 HE22 GLN 94 2HE2 GLN 94 -11.943 11.160 4.375 727 H VAL 95 H VAL 95 -9.116 9.009 1.919 728 HA VAL 95 HA VAL 95 -7.278 9.277 -0.409 729 HB VAL 95 HB VAL 95 -9.163 7.094 0.564 730 HG11 VAL 95 1HG1 VAL 95 -9.426 7.068 -1.818 731 HG12 VAL 95 2HG1 VAL 95 -7.654 7.096 -2.058 732 HG13 VAL 95 3HG1 VAL 95 -8.472 5.697 -1.320 733 HG21 VAL 95 3HG2 VAL 95 -6.140 7.161 0.118 734 HG22 VAL 95 1HG2 VAL 95 -7.015 7.055 1.672 735 HG23 VAL 95 2HG2 VAL 95 -7.082 5.720 0.541 736 H GLN 96 H GLN 96 -8.294 9.824 -2.457 737 HA GLN 96 HA GLN 96 -10.917 11.107 -2.389 738 HB2 GLN 96 1HB GLN 96 -9.336 12.306 -3.741 739 HB3 GLN 96 2HB GLN 96 -8.787 10.836 -4.597 740 HG2 GLN 96 1HG GLN 96 -11.104 10.711 -5.607 741 HG3 GLN 96 2HG GLN 96 -11.612 12.037 -4.604 742 HE21 GLN 96 1HE2 GLN 96 -12.156 13.572 -5.980 743 HE22 GLN 96 2HE2 GLN 96 -11.046 14.355 -7.099 744 H VAL 97 H VAL 97 -12.647 9.973 -3.325 745 HA VAL 97 HA VAL 97 -12.064 7.139 -4.006 746 HB VAL 97 HB VAL 97 -13.415 7.638 -2.137 747 HG11 VAL 97 1HG1 VAL 97 -15.419 8.988 -3.607 748 HG12 VAL 97 2HG1 VAL 97 -15.530 8.266 -1.973 749 HG13 VAL 97 3HG1 VAL 97 -14.274 9.464 -2.238 750 HG21 VAL 97 3HG2 VAL 97 -13.831 5.538 -3.640 751 HG22 VAL 97 1HG2 VAL 97 -15.131 6.016 -2.515 752 HG23 VAL 97 2HG2 VAL 97 -15.251 6.427 -4.237 753 H LEU 98 H LEU 98 -11.233 7.545 -5.976 754 HA LEU 98 HA LEU 98 -12.297 9.264 -7.966 755 HB2 LEU 98 1HB LEU 98 -10.199 7.132 -7.823 756 HB3 LEU 98 2HB LEU 98 -10.892 7.345 -9.404 757 HG LEU 98 HG LEU 98 -9.059 8.690 -9.502 758 HD11 LEU 98 1HD1 LEU 98 -11.002 10.821 -8.535 759 HD12 LEU 98 2HD1 LEU 98 -11.125 10.016 -10.110 760 HD13 LEU 98 3HD1 LEU 98 -9.697 10.974 -9.707 761 HD21 LEU 98 3HD2 LEU 98 -9.667 9.479 -6.662 762 HD22 LEU 98 1HD2 LEU 98 -8.399 10.251 -7.625 763 HD23 LEU 98 2HD2 LEU 98 -8.303 8.518 -7.291 764 H GLU 99 H GLU 99 -13.303 6.062 -6.973 765 HA GLU 99 HA GLU 99 -15.502 6.253 -8.753 766 HB2 GLU 99 1HB GLU 99 -13.567 5.020 -10.060 767 HB3 GLU 99 2HB GLU 99 -13.881 3.691 -8.959 768 HG2 GLU 99 1HG GLU 99 -15.557 3.013 -10.303 769 HG3 GLU 99 2HG GLU 99 -16.427 4.499 -9.971 770 H TRP 100 H TRP 100 -17.160 4.834 -7.908 771 HA TRP 100 HA TRP 100 -16.540 3.293 -5.446 772 HB2 TRP 100 1HB TRP 100 -17.508 5.504 -4.850 773 HB3 TRP 100 2HB TRP 100 -18.919 5.159 -5.822 774 HD1 TRP 100 HD TRP 100 -20.771 3.632 -4.695 775 HE1 TRP 100 1HE TRP 100 -21.049 2.537 -2.395 776 HE3 TRP 100 3HE TRP 100 -16.027 4.145 -3.077 777 HZ2 TRP 100 2HZ TRP 100 -19.311 1.889 -0.122 778 HZ3 TRP 100 3HZ TRP 100 -15.292 3.355 -0.872 779 HH2 TRP 100 HH TRP 100 -16.858 2.133 0.596 780 H GLU 101 H GLU 101 -17.327 1.219 -5.594 781 HA GLU 101 HA GLU 101 -19.014 0.555 -7.934 782 HB2 GLU 101 1HB GLU 101 -17.334 -1.085 -5.995 783 HB3 GLU 101 2HB GLU 101 -18.372 -1.814 -7.212 784 HG2 GLU 101 1HG GLU 101 -15.989 0.010 -7.726 785 HG3 GLU 101 2HG GLU 101 -15.984 -1.738 -7.892 786 H GLY 102 H GLY 102 -21.130 0.685 -7.488 787 HA2 GLY 102 2HA GLY 102 -23.050 -0.486 -6.699 788 HA3 GLY 102 1HA GLY 102 -22.130 -1.052 -5.299 789 H ASP 103 H ASP 103 -24.255 -0.398 -4.325 790 HA ASP 103 HA ASP 103 -25.012 2.329 -4.007 791 HB2 ASP 103 1HB ASP 103 -26.444 0.326 -3.799 792 HB3 ASP 103 2HB ASP 103 -25.611 -0.095 -2.298 793 H GLY 104 H GLY 104 -25.195 3.279 -1.680 794 HA2 GLY 104 2HA GLY 104 -24.342 3.955 0.340 795 HA3 GLY 104 1HA GLY 104 -23.390 2.494 0.368 796 H ASP 105 H ASP 105 -23.460 5.539 -1.428 797 HA ASP 105 HA ASP 105 -20.684 5.635 -1.932 798 HB2 ASP 105 1HB ASP 105 -22.034 6.088 -3.742 799 HB3 ASP 105 2HB ASP 105 -23.070 7.205 -2.837 800 HA PRO 106 HA PRO 106 -20.438 8.058 1.966 801 HB2 PRO 106 1HB PRO 106 -17.683 8.106 2.195 802 HB3 PRO 106 2HB PRO 106 -18.688 6.671 2.572 803 HG2 PRO 106 1HG PRO 106 -17.278 7.321 -0.041 804 HG3 PRO 106 2HG PRO 106 -17.178 5.809 0.925 805 HD2 PRO 106 1HD PRO 106 -18.815 6.017 -1.169 806 HD3 PRO 106 2HD PRO 106 -19.354 5.175 0.319 807 H GLY 107 H GLY 107 -19.024 8.935 -1.183 808 HA2 GLY 107 2HA GLY 107 -19.101 11.175 -1.974 809 HA3 GLY 107 1HA GLY 107 -18.834 11.783 -0.336 810 H ASP 108 H ASP 108 -17.312 12.491 -2.501 811 HA ASP 108 HA ASP 108 -15.139 10.927 -3.379 812 HB2 ASP 108 1HB ASP 108 -16.378 13.098 -4.311 813 HB3 ASP 108 2HB ASP 108 -15.324 13.942 -3.169 814 H SER 109 H SER 109 -15.113 12.030 -0.218 815 HA SER 109 HA SER 109 -12.568 10.845 -0.659 816 HB2 SER 109 1HB SER 109 -11.452 12.060 1.138 817 HB3 SER 109 2HB SER 109 -11.664 12.965 -0.365 818 HG SER 109 HG SER 109 -13.332 13.269 1.950 819 H VAL 110 H VAL 110 -11.845 9.490 0.933 820 HA VAL 110 HA VAL 110 -13.841 8.743 2.999 821 HB VAL 110 HB VAL 110 -13.652 6.437 2.294 822 HG11 VAL 110 1HG1 VAL 110 -14.877 6.407 0.312 823 HG12 VAL 110 2HG1 VAL 110 -15.410 7.740 1.384 824 HG13 VAL 110 3HG1 VAL 110 -14.432 8.101 -0.043 825 HG21 VAL 110 3HG2 VAL 110 -12.566 5.741 0.204 826 HG22 VAL 110 1HG2 VAL 110 -11.956 7.387 -0.062 827 HG23 VAL 110 2HG2 VAL 110 -11.352 6.409 1.296 828 H GLN 111 H GLN 111 -12.994 7.584 4.749 829 HA GLN 111 HA GLN 111 -10.083 7.799 5.211 830 HB2 GLN 111 1HB GLN 111 -11.710 8.568 6.933 831 HB3 GLN 111 2HB GLN 111 -12.369 6.948 7.071 832 HG2 GLN 111 1HG GLN 111 -9.397 7.290 7.479 833 HG3 GLN 111 2HG GLN 111 -10.468 7.965 8.701 834 HE21 GLN 111 1HE2 GLN 111 -9.224 4.916 7.381 835 HE22 GLN 111 2HE2 GLN 111 -10.228 3.851 8.331 836 H CYS 112 H CYS 112 -8.803 5.948 4.950 837 HA CYS 112 HA CYS 112 -10.137 3.299 5.069 838 HB2 CYS 112 1HB CYS 112 -9.027 2.437 3.166 839 HB3 CYS 112 2HB CYS 112 -9.603 4.011 2.609 840 HG CYS 112 HG CYS 112 -6.608 3.056 3.523 841 H PHE 113 H PHE 113 -8.126 1.561 5.266 842 HA PHE 113 HA PHE 113 -6.017 2.758 7.017 843 HB2 PHE 113 1HB PHE 113 -6.677 -0.165 6.733 844 HB3 PHE 113 2HB PHE 113 -5.529 0.571 7.804 845 HD1 PHE 113 2HD PHE 113 -6.635 2.638 9.265 846 HD2 PHE 113 1HD PHE 113 -8.680 -0.844 7.766 847 HE1 PHE 113 2HE PHE 113 -8.294 2.841 11.081 848 HE2 PHE 113 1HE PHE 113 -10.263 -0.723 9.631 849 HZ PHE 113 HZ PHE 113 -10.082 1.117 11.329 850 H VAL 114 H VAL 114 -3.901 1.985 6.773 851 HA VAL 114 HA VAL 114 -2.800 1.408 4.159 852 HB VAL 114 HB VAL 114 -1.816 3.983 4.451 853 HG11 VAL 114 1HG1 VAL 114 -3.175 2.950 2.594 854 HG12 VAL 114 2HG1 VAL 114 -4.574 3.637 3.418 855 HG13 VAL 114 3HG1 VAL 114 -3.226 4.670 2.861 856 HG21 VAL 114 3HG2 VAL 114 -4.412 4.303 5.914 857 HG22 VAL 114 1HG2 VAL 114 -2.808 4.298 6.672 858 HG23 VAL 114 2HG2 VAL 114 -3.190 5.506 5.464 859 H TYR 115 H TYR 115 -0.995 0.227 4.706 860 HA TYR 115 HA TYR 115 0.116 0.404 7.456 861 HB2 TYR 115 1HB TYR 115 0.531 -1.576 5.192 862 HB3 TYR 115 2HB TYR 115 1.657 -1.422 6.507 863 HD1 TYR 115 1HD TYR 115 0.968 -1.829 8.876 864 HD2 TYR 115 2HD TYR 115 -1.698 -2.580 5.570 865 HE1 TYR 115 1HE TYR 115 -0.575 -3.025 10.398 866 HE2 TYR 115 2HE TYR 115 -3.240 -3.763 7.098 867 HH TYR 115 HH TYR 115 -2.559 -4.195 10.596 868 H THR 116 H THR 116 0.822 2.505 7.358 869 HA THR 116 HA THR 116 3.019 3.118 5.471 870 HB THR 116 HB THR 116 2.737 5.429 6.631 871 HG1 THR 116 1HG THR 116 1.344 4.983 8.298 872 HG21 THR 116 3HG2 THR 116 2.097 4.927 4.353 873 HG22 THR 116 1HG2 THR 116 0.893 5.998 5.102 874 HG23 THR 116 2HG2 THR 116 0.543 4.262 4.885 875 H THR 117 H THR 117 4.770 4.516 6.798 876 HA THR 117 HA THR 117 5.259 3.251 9.424 877 HB THR 117 HB THR 117 6.679 1.944 8.120 878 HG1 THR 117 1HG THR 117 8.719 2.684 8.629 879 HG21 THR 117 3HG2 THR 117 7.225 4.425 6.492 880 HG22 THR 117 1HG2 THR 117 6.607 2.865 5.933 881 HG23 THR 117 2HG2 THR 117 8.303 3.026 6.411 882 H ALA 118 H ALA 118 5.938 4.626 10.906 883 HA ALA 118 HA ALA 118 6.628 7.441 10.183 884 HB1 ALA 118 1HB ALA 118 4.814 7.186 11.820 885 HB2 ALA 118 2HB ALA 118 5.860 6.142 12.836 886 HB3 ALA 118 3HB ALA 118 6.246 7.863 12.600 887 H THR 119 H THR 119 8.126 4.422 10.836 888 HA THR 119 HA THR 119 10.096 5.575 12.711 889 HB THR 119 HB THR 119 8.508 3.808 13.354 890 HG1 THR 119 1HG THR 119 10.334 4.188 14.467 891 HG21 THR 119 3HG2 THR 119 10.122 1.937 11.602 892 HG22 THR 119 1HG2 THR 119 8.417 2.389 11.395 893 HG23 THR 119 2HG2 THR 119 8.916 1.468 12.818 894 H TYR 120 H TYR 120 10.406 6.273 10.064 895 HA TYR 120 HA TYR 120 12.089 4.573 8.522 896 HB2 TYR 120 1HB TYR 120 12.294 6.607 7.088 897 HB3 TYR 120 2HB TYR 120 10.655 6.197 7.523 898 HD1 TYR 120 2HD TYR 120 13.398 8.592 8.184 899 HD2 TYR 120 1HD TYR 120 9.219 7.723 8.734 900 HE1 TYR 120 2HE TYR 120 13.106 10.783 9.309 901 HE2 TYR 120 1HE TYR 120 8.899 9.924 9.819 902 HH TYR 120 HH TYR 120 11.563 12.033 10.733 903 H ALA 121 H ALA 121 14.225 5.231 7.694 904 HA ALA 121 HA ALA 121 16.133 6.145 9.774 905 HB1 ALA 121 1HB ALA 121 16.566 3.993 8.564 906 HB2 ALA 121 2HB ALA 121 16.618 4.891 7.031 907 HB3 ALA 121 3HB ALA 121 17.825 5.201 8.301 908 HA PRO 122 HA PRO 122 16.026 10.105 7.980 909 HB2 PRO 122 1HB PRO 122 18.631 11.086 8.086 910 HB3 PRO 122 2HB PRO 122 17.558 10.915 9.501 911 HG2 PRO 122 1HG PRO 122 19.691 8.996 8.532 912 HG3 PRO 122 2HG PRO 122 19.394 9.573 10.199 913 HD2 PRO 122 1HD PRO 122 18.466 7.166 9.375 914 HD3 PRO 122 2HD PRO 122 17.475 8.216 10.425 915 H GLU 123 H GLU 123 18.491 7.998 6.545 916 HA GLU 123 HA GLU 123 18.989 9.447 4.207 917 HB2 GLU 123 1HB GLU 123 19.524 7.193 3.204 918 HB3 GLU 123 2HB GLU 123 20.424 7.618 4.648 919 HG2 GLU 123 1HG GLU 123 17.890 6.092 5.144 920 HG3 GLU 123 2HG GLU 123 19.137 5.221 4.240 921 H TRP 124 H TRP 124 16.119 7.612 5.048 922 HA TRP 124 HA TRP 124 15.390 7.102 2.316 923 HB2 TRP 124 1HB TRP 124 13.936 6.915 4.975 924 HB3 TRP 124 2HB TRP 124 13.208 6.436 3.479 925 HD1 TRP 124 HD TRP 124 16.739 5.371 3.206 926 HE1 TRP 124 1HE TRP 124 17.068 2.927 3.811 927 HE3 TRP 124 3HE TRP 124 12.187 4.490 5.257 928 HZ2 TRP 124 2HZ TRP 124 15.403 0.728 4.738 929 HZ3 TRP 124 3HZ TRP 124 11.486 2.156 5.810 930 HH2 TRP 124 HH TRP 124 13.099 0.276 5.571 931 H LEU 125 H LEU 125 15.387 9.963 4.102 932 HA LEU 125 HA LEU 125 13.177 11.182 2.545 933 HB2 LEU 125 1HB LEU 125 15.052 12.197 4.717 934 HB3 LEU 125 2HB LEU 125 14.048 13.278 3.793 935 HG LEU 125 HG LEU 125 13.007 12.860 5.868 936 HD11 LEU 125 1HD1 LEU 125 11.377 11.350 3.803 937 HD12 LEU 125 2HD1 LEU 125 11.612 13.118 3.754 938 HD13 LEU 125 3HD1 LEU 125 10.800 12.353 5.138 939 HD21 LEU 125 3HD2 LEU 125 12.774 9.921 5.180 940 HD22 LEU 125 1HD2 LEU 125 12.161 10.759 6.608 941 HD23 LEU 125 2HD2 LEU 125 13.917 10.626 6.351 942 H PHE 126 H PHE 126 16.657 10.723 2.259 943 HA PHE 126 HA PHE 126 17.111 13.054 0.562 944 HB2 PHE 126 1HB PHE 126 18.666 10.459 0.646 945 HB3 PHE 126 2HB PHE 126 19.200 11.986 -0.041 946 HD1 PHE 126 1HD PHE 126 18.514 13.926 2.175 947 HD2 PHE 126 2HD PHE 126 20.273 9.992 2.269 948 HE1 PHE 126 1HE PHE 126 19.550 14.446 4.341 949 HE2 PHE 126 2HE PHE 126 21.237 10.488 4.513 950 HZ PHE 126 HZ PHE 126 20.911 12.711 5.536 951 H LEU 127 H LEU 127 16.088 9.737 0.165 952 HA LEU 127 HA LEU 127 16.469 9.381 -2.584 953 HB2 LEU 127 1HB LEU 127 14.224 8.234 -0.875 954 HB3 LEU 127 2HB LEU 127 14.834 7.542 -2.370 955 HG LEU 127 HG LEU 127 16.323 7.763 0.282 956 HD11 LEU 127 1HD1 LEU 127 14.591 6.028 0.253 957 HD12 LEU 127 2HD1 LEU 127 16.205 5.310 0.299 958 HD13 LEU 127 3HD1 LEU 127 15.288 5.331 -1.223 959 HD21 LEU 127 3HD2 LEU 127 18.115 6.446 -0.759 960 HD22 LEU 127 1HD2 LEU 127 17.939 8.009 -1.533 961 HD23 LEU 127 2HD2 LEU 127 17.285 6.551 -2.342 962 HA PRO 128 HA PRO 128 13.126 11.811 -4.349 963 HB2 PRO 128 1HB PRO 128 12.783 10.662 -6.788 964 HB3 PRO 128 2HB PRO 128 14.296 11.532 -6.372 965 HG2 PRO 128 1HG PRO 128 13.762 8.541 -6.210 966 HG3 PRO 128 2HG PRO 128 15.123 9.362 -7.028 967 HD2 PRO 128 1HD PRO 128 15.332 8.368 -4.493 968 HD3 PRO 128 2HD PRO 128 16.161 9.886 -4.954 969 H TYR 129 H TYR 129 10.819 11.495 -5.176 970 HA TYR 129 HA TYR 129 9.574 9.081 -3.912 971 HB2 TYR 129 1HB TYR 129 8.420 11.861 -4.216 972 HB3 TYR 129 2HB TYR 129 7.813 10.513 -3.282 973 HD1 TYR 129 2HD TYR 129 10.245 9.664 -1.846 974 HD2 TYR 129 1HD TYR 129 8.800 13.610 -2.709 975 HE1 TYR 129 2HE TYR 129 11.625 10.571 0.035 976 HE2 TYR 129 1HE TYR 129 10.008 14.498 -0.786 977 HH TYR 129 HH TYR 129 12.570 12.719 0.803 978 H HIS 130 H HIS 130 7.540 8.444 -4.780 979 HA HIS 130 HA HIS 130 7.092 9.177 -7.612 980 HB2 HIS 130 1HB HIS 130 7.327 6.302 -6.604 981 HB3 HIS 130 2HB HIS 130 7.166 6.825 -8.280 982 HD1 HIS 130 1HD HIS 130 9.479 8.072 -9.343 983 HD2 HIS 130 2HD HIS 130 9.795 6.452 -5.442 984 HE1 HIS 130 1HE HIS 130 11.920 8.022 -8.773 985 H GLU 131 H GLU 131 4.947 8.209 -8.449 986 HA GLU 131 HA GLU 131 2.832 8.382 -6.294 987 HB2 GLU 131 1HB GLU 131 3.451 10.254 -8.108 988 HB3 GLU 131 2HB GLU 131 2.590 9.226 -9.221 989 HG2 GLU 131 1HG GLU 131 0.512 9.382 -7.820 990 HG3 GLU 131 2HG GLU 131 1.402 10.263 -6.623 991 H SER 132 H SER 132 4.149 6.387 -8.576 992 HA SER 132 HA SER 132 2.121 4.516 -7.897 993 HB2 SER 132 1HB SER 132 1.458 3.718 -9.950 994 HB3 SER 132 2HB SER 132 1.640 5.413 -10.379 995 HG SER 132 HG SER 132 3.072 3.230 -11.212 996 H TYR 133 H TYR 133 3.156 2.234 -8.709 997 HA TYR 133 HA TYR 133 6.008 2.603 -9.131 998 HB2 TYR 133 1HB TYR 133 4.756 0.998 -6.952 999 HB3 TYR 133 2HB TYR 133 6.051 0.191 -7.834 1000 HD1 TYR 133 2HD TYR 133 7.949 2.398 -8.443 1001 HD2 TYR 133 1HD TYR 133 5.785 1.358 -4.874 1002 HE1 TYR 133 2HE TYR 133 9.428 3.885 -7.129 1003 HE2 TYR 133 1HE TYR 133 7.370 2.721 -3.528 1004 HH TYR 133 HH TYR 133 8.787 4.684 -3.776 1005 H ASP 134 H ASP 134 6.874 0.533 -9.798 1006 HA ASP 134 HA ASP 134 5.124 -1.065 -11.532 1007 HB2 ASP 134 1HB ASP 134 6.674 1.161 -12.641 1008 HB3 ASP 134 2HB ASP 134 7.284 -0.365 -13.272 1009 H SER 135 H SER 135 5.724 -2.793 -10.151 1010 HA SER 135 HA SER 135 8.523 -3.547 -9.918 1011 HB2 SER 135 1HB SER 135 6.260 -4.581 -8.723 1012 HB3 SER 135 2HB SER 135 6.754 -5.866 -9.818 1013 HG SER 135 HG SER 135 8.560 -6.160 -8.737 1014 H GLU 136 H GLU 136 6.194 -3.672 -12.509 1015 HA GLU 136 HA GLU 136 8.108 -5.214 -14.172 1016 HB2 GLU 136 1HB GLU 136 5.267 -4.629 -15.025 1017 HB3 GLU 136 2HB GLU 136 6.426 -5.766 -15.677 1018 HG2 GLU 136 1HG GLU 136 4.550 -5.986 -13.385 1019 HG3 GLU 136 2HG GLU 136 4.944 -7.174 -14.621 1020 H GLY 137 H GLY 137 9.341 -3.261 -13.878 1021 HA2 GLY 137 2HA GLY 137 8.741 -1.273 -15.983 1022 HA3 GLY 137 1HA GLY 137 9.072 -0.662 -14.353 1023 HA PRO 138 HA PRO 138 12.815 -2.103 -16.937 1024 HB2 PRO 138 1HB PRO 138 13.753 0.129 -18.174 1025 HB3 PRO 138 2HB PRO 138 12.388 -0.822 -18.819 1026 HG2 PRO 138 1HG PRO 138 12.251 1.699 -17.130 1027 HG3 PRO 138 2HG PRO 138 11.383 1.343 -18.662 1028 HD2 PRO 138 1HD PRO 138 10.264 0.985 -16.205 1029 HD3 PRO 138 2HD PRO 138 9.889 -0.105 -17.572 1030 H HIS 139 H HIS 139 12.377 0.179 -14.457 1031 HA HIS 139 HA HIS 139 14.721 1.508 -14.131 1032 HB2 HIS 139 1HB HIS 139 13.233 0.281 -11.829 1033 HB3 HIS 139 2HB HIS 139 14.178 1.766 -11.820 1034 HD1 HIS 139 1HD HIS 139 12.929 3.958 -13.083 1035 HD2 HIS 139 2HD HIS 139 10.684 0.414 -12.590 1036 HE1 HIS 139 1HE HIS 139 10.497 4.589 -13.348 1037 H GLY 140 H GLY 140 14.234 -1.896 -13.317 1038 HA2 GLY 140 2HA GLY 140 15.881 -3.495 -13.476 1039 HA3 GLY 140 1HA GLY 140 17.136 -2.276 -13.287 1040 H LEU 141 H LEU 141 15.611 -1.330 -10.826 1041 HA LEU 141 HA LEU 141 16.534 -3.317 -8.796 1042 HB2 LEU 141 1HB LEU 141 15.909 -1.406 -7.221 1043 HB3 LEU 141 2HB LEU 141 17.346 -1.167 -8.129 1044 HG LEU 141 HG LEU 141 14.864 -0.163 -9.436 1045 HD11 LEU 141 1HD1 LEU 141 14.787 1.859 -8.034 1046 HD12 LEU 141 2HD1 LEU 141 15.914 1.086 -6.901 1047 HD13 LEU 141 3HD1 LEU 141 14.311 0.372 -7.202 1048 HD21 LEU 141 3HD2 LEU 141 17.082 0.242 -10.422 1049 HD22 LEU 141 1HD2 LEU 141 17.544 1.171 -8.982 1050 HD23 LEU 141 2HD2 LEU 141 16.220 1.731 -10.034 1051 H ARG 142 H ARG 142 14.438 -4.529 -9.925 1052 HA ARG 142 HA ARG 142 11.958 -3.497 -8.718 1053 HB2 ARG 142 1HB ARG 142 12.395 -5.953 -10.445 1054 HB3 ARG 142 2HB ARG 142 10.850 -5.258 -9.964 1055 HG2 ARG 142 1HG ARG 142 12.965 -3.883 -11.714 1056 HG3 ARG 142 2HG ARG 142 11.436 -4.554 -12.227 1057 HD2 ARG 142 1HD ARG 142 11.009 -2.308 -12.063 1058 HD3 ARG 142 2HD ARG 142 10.289 -2.930 -10.597 1059 HE ARG 142 HE ARG 142 12.957 -1.958 -10.184 1060 HH11 ARG 142 1HH1 ARG 142 9.621 -0.755 -10.638 1061 HH12 ARG 142 2HH1 ARG 142 10.003 0.788 -9.899 1062 HH21 ARG 142 1HH2 ARG 142 13.258 0.056 -8.987 1063 HH22 ARG 142 2HH2 ARG 142 12.049 1.274 -9.150 1064 H TYR 143 H TYR 143 10.533 -5.353 -7.684 1065 HA TYR 143 HA TYR 143 11.815 -5.787 -5.166 1066 HB2 TYR 143 1HB TYR 143 9.392 -5.387 -5.371 1067 HB3 TYR 143 2HB TYR 143 9.211 -6.855 -6.309 1068 HD1 TYR 143 2HD TYR 143 10.941 -6.108 -2.993 1069 HD2 TYR 143 1HD TYR 143 7.945 -8.368 -5.107 1070 HE1 TYR 143 2HE TYR 143 10.537 -7.461 -0.974 1071 HE2 TYR 143 1HE TYR 143 7.378 -9.559 -3.000 1072 HH TYR 143 HH TYR 143 9.247 -9.079 0.011 1073 H ASN 144 H ASN 144 12.323 -7.790 -4.169 1074 HA ASN 144 HA ASN 144 12.991 -10.058 -6.016 1075 HB2 ASN 144 1HB ASN 144 14.572 -8.753 -3.800 1076 HB3 ASN 144 2HB ASN 144 14.637 -10.500 -3.964 1077 HD21 ASN 144 1HD2 ASN 144 14.638 -8.001 -6.671 1078 HD22 ASN 144 2HD2 ASN 144 16.178 -8.588 -7.248 1079 HA PRO 145 HA PRO 145 9.685 -11.114 -2.927 1080 HB2 PRO 145 1HB PRO 145 8.213 -12.803 -4.574 1081 HB3 PRO 145 2HB PRO 145 8.002 -11.028 -4.522 1082 HG2 PRO 145 1HG PRO 145 9.666 -12.625 -6.460 1083 HG3 PRO 145 2HG PRO 145 8.476 -11.342 -6.831 1084 HD2 PRO 145 1HD PRO 145 11.079 -10.749 -6.743 1085 HD3 PRO 145 2HD PRO 145 9.911 -9.656 -5.982 1086 H ARG 146 H ARG 146 11.231 -13.364 -5.273 1087 HA ARG 146 HA ARG 146 12.214 -15.012 -3.062 1088 HB2 ARG 146 1HB ARG 146 10.004 -15.876 -3.586 1089 HB3 ARG 146 2HB ARG 146 10.354 -15.912 -5.311 1090 HG2 ARG 146 1HG ARG 146 11.695 -17.823 -5.149 1091 HG3 ARG 146 2HG ARG 146 11.948 -17.644 -3.394 1092 HD2 ARG 146 1HD ARG 146 9.692 -18.330 -2.932 1093 HD3 ARG 146 2HD ARG 146 9.137 -17.922 -4.543 1094 HE ARG 146 HE ARG 146 10.196 -20.441 -3.633 1095 HH11 ARG 146 1HH1 ARG 146 9.573 -18.437 -6.523 1096 HH12 ARG 146 2HH1 ARG 146 9.886 -19.687 -7.647 1097 HH21 ARG 146 1HH2 ARG 146 10.526 -22.177 -5.174 1098 HH22 ARG 146 2HH2 ARG 146 10.321 -21.850 -6.858 1099 H GLU 147 H GLU 147 13.040 -13.269 -5.540 1100 HA GLU 147 HA GLU 147 14.036 -14.861 -7.555 1101 HB2 GLU 147 1HB GLU 147 15.010 -12.141 -6.583 1102 HB3 GLU 147 2HB GLU 147 15.366 -12.834 -8.167 1103 HG2 GLU 147 1HG GLU 147 12.584 -12.165 -7.163 1104 HG3 GLU 147 2HG GLU 147 13.566 -11.102 -8.181 1105 H ASN 148 H ASN 148 15.704 -13.723 -4.673 1106 HA ASN 148 HA ASN 148 17.824 -15.730 -5.184 1107 HB2 ASN 148 1HB ASN 148 19.557 -14.378 -4.686 1108 HB3 ASN 148 2HB ASN 148 18.562 -13.268 -5.589 1109 HD21 ASN 148 1HD2 ASN 148 17.292 -11.577 -4.272 1110 HD22 ASN 148 2HD2 ASN 148 18.027 -11.131 -2.745 1111 H ARG 149 H ARG 149 15.286 -15.969 -3.845 1112 HA ARG 149 HA ARG 149 14.192 -16.335 -2.043 1113 HB2 ARG 149 1HB ARG 149 15.987 -18.131 -1.606 1114 HB3 ARG 149 2HB ARG 149 16.746 -16.956 -0.528 1115 HG2 ARG 149 1HG ARG 149 15.403 -18.366 0.861 1116 HG3 ARG 149 2HG ARG 149 14.540 -16.831 0.750 1117 HD2 ARG 149 1HD ARG 149 13.486 -18.111 -1.389 1118 HD3 ARG 149 2HD ARG 149 13.881 -19.500 -0.379 1119 HE ARG 149 HE ARG 149 12.572 -17.562 1.205 1120 HH11 ARG 149 1HH1 ARG 149 11.887 -19.846 -1.422 1121 HH12 ARG 149 2HH1 ARG 149 10.183 -19.971 -1.084 1122 HH21 ARG 149 1HH2 ARG 149 10.304 -17.538 1.534 1123 HH22 ARG 149 2HH2 ARG 149 9.259 -18.381 0.453 Start of MODEL 15 1 H1 MET 1 H MET 1 -16.015 -4.663 5.060 2 HA MET 1 HA MET 1 -16.851 -3.991 7.138 3 HB2 MET 1 1HB MET 1 -14.962 -6.054 8.135 4 HB3 MET 1 2HB MET 1 -15.120 -4.623 9.158 5 HG2 MET 1 1HG MET 1 -17.502 -4.793 9.252 6 HG3 MET 1 2HG MET 1 -17.532 -6.079 8.047 7 HE1 MET 1 3HE MET 1 -18.860 -7.707 11.355 8 HE2 MET 1 1HE MET 1 -18.947 -5.957 11.040 9 HE3 MET 1 2HE MET 1 -19.264 -7.114 9.728 10 H ALA 2 H ALA 2 -13.192 -4.118 7.208 11 HA ALA 2 HA ALA 2 -13.159 -1.207 7.517 12 HB1 ALA 2 1HB ALA 2 -10.712 -1.524 7.468 13 HB2 ALA 2 2HB ALA 2 -11.459 -2.625 8.636 14 HB3 ALA 2 3HB ALA 2 -10.920 -3.238 7.059 15 H HIS 3 H HIS 3 -11.886 0.071 5.929 16 HA HIS 3 HA HIS 3 -12.107 -0.862 3.119 17 HB2 HIS 3 1HB HIS 3 -12.957 1.714 4.470 18 HB3 HIS 3 2HB HIS 3 -12.455 1.724 2.799 19 HD1 HIS 3 1HD HIS 3 -15.550 1.707 4.484 20 HD2 HIS 3 2HD HIS 3 -13.805 -0.529 1.360 21 HE1 HIS 3 1HE HIS 3 -17.491 0.710 3.180 22 H ILE 4 H ILE 4 -10.167 -0.844 2.133 23 HA ILE 4 HA ILE 4 -8.068 0.937 3.217 24 HB ILE 4 HB ILE 4 -6.422 -0.760 3.091 25 HG12 ILE 4 1HG1 ILE 4 -8.527 -2.865 2.564 26 HG13 ILE 4 2HG1 ILE 4 -7.506 -2.178 1.306 27 HG21 ILE 4 1HG2 ILE 4 -8.654 -1.826 4.848 28 HG22 ILE 4 2HG2 ILE 4 -6.893 -1.905 5.119 29 HG23 ILE 4 3HG2 ILE 4 -7.729 -0.358 5.192 30 HD11 ILE 4 3HD1 ILE 4 -6.495 -4.246 2.033 31 HD12 ILE 4 1HD1 ILE 4 -5.466 -2.911 2.546 32 HD13 ILE 4 2HD1 ILE 4 -6.512 -3.733 3.727 33 H PHE 5 H PHE 5 -6.175 0.884 1.757 34 HA PHE 5 HA PHE 5 -6.931 0.891 -1.129 35 HB2 PHE 5 1HB PHE 5 -6.346 3.023 0.111 36 HB3 PHE 5 2HB PHE 5 -4.764 2.354 0.385 37 HD1 PHE 5 1HD PHE 5 -7.207 3.256 -2.224 38 HD2 PHE 5 2HD PHE 5 -3.044 3.031 -1.167 39 HE1 PHE 5 1HE PHE 5 -6.684 4.758 -4.088 40 HE2 PHE 5 2HE PHE 5 -2.517 4.637 -3.003 41 HZ PHE 5 HZ PHE 5 -4.356 5.562 -4.394 42 H VAL 6 H VAL 6 -5.251 0.021 -2.503 43 HA VAL 6 HA VAL 6 -3.772 -2.181 -1.246 44 HB VAL 6 HB VAL 6 -5.068 -2.334 -3.417 45 HG11 VAL 6 1HG1 VAL 6 -4.103 -1.644 -5.470 46 HG12 VAL 6 2HG1 VAL 6 -4.203 -0.190 -4.445 47 HG13 VAL 6 3HG1 VAL 6 -2.644 -1.029 -4.649 48 HG21 VAL 6 3HG2 VAL 6 -3.609 -4.022 -2.728 49 HG22 VAL 6 1HG2 VAL 6 -3.797 -3.820 -4.482 50 HG23 VAL 6 2HG2 VAL 6 -2.299 -3.289 -3.697 51 H TYR 7 H TYR 7 -1.363 -2.392 -2.434 52 HA TYR 7 HA TYR 7 0.065 0.089 -2.213 53 HB2 TYR 7 1HB TYR 7 0.084 -1.371 -0.049 54 HB3 TYR 7 2HB TYR 7 1.040 -2.512 -0.979 55 HD1 TYR 7 1HD TYR 7 1.098 1.289 -0.740 56 HD2 TYR 7 2HD TYR 7 3.162 -2.422 0.066 57 HE1 TYR 7 1HE TYR 7 3.026 2.552 0.101 58 HE2 TYR 7 2HE TYR 7 5.078 -1.150 0.952 59 HH TYR 7 HH TYR 7 6.027 0.950 1.150 60 H GLY 8 H GLY 8 2.377 -0.601 -3.227 61 HA2 GLY 8 2HA GLY 8 1.838 -1.061 -5.907 62 HA3 GLY 8 1HA GLY 8 3.385 -1.086 -5.080 63 H THR 9 H THR 9 2.025 -3.586 -3.480 64 HA THR 9 HA THR 9 3.377 -5.491 -5.135 65 HB THR 9 HB THR 9 2.451 -6.795 -2.928 66 HG1 THR 9 1HG THR 9 2.397 -5.391 -1.197 67 HG21 THR 9 3HG2 THR 9 4.784 -4.869 -2.838 68 HG22 THR 9 1HG2 THR 9 4.846 -6.389 -3.735 69 HG23 THR 9 2HG2 THR 9 4.628 -6.397 -1.966 70 H LEU 10 H LEU 10 -0.059 -4.480 -4.580 71 HA LEU 10 HA LEU 10 -0.884 -7.034 -5.877 72 HB2 LEU 10 1HB LEU 10 -2.732 -5.589 -4.100 73 HB3 LEU 10 2HB LEU 10 -2.679 -7.194 -4.479 74 HG LEU 10 HG LEU 10 -2.218 -6.982 -2.194 75 HD11 LEU 10 1HD1 LEU 10 -0.105 -8.029 -1.847 76 HD12 LEU 10 2HD1 LEU 10 0.398 -7.623 -3.491 77 HD13 LEU 10 3HD1 LEU 10 -0.999 -8.682 -3.231 78 HD21 LEU 10 3HD2 LEU 10 -1.649 -4.777 -1.773 79 HD22 LEU 10 1HD2 LEU 10 -0.104 -4.895 -2.626 80 HD23 LEU 10 2HD2 LEU 10 -0.381 -5.800 -1.135 81 H LYS 11 H LYS 11 -0.616 -3.749 -6.547 82 HA LYS 11 HA LYS 11 -3.261 -3.366 -7.633 83 HB2 LYS 11 1HB LYS 11 -1.609 -1.664 -6.517 84 HB3 LYS 11 2HB LYS 11 -0.908 -1.497 -8.109 85 HG2 LYS 11 1HG LYS 11 -3.898 -1.319 -8.008 86 HG3 LYS 11 2HG LYS 11 -3.076 -0.075 -7.091 87 HD2 LYS 11 1HD LYS 11 -2.222 0.981 -8.894 88 HD3 LYS 11 2HD LYS 11 -2.047 -0.482 -9.856 89 HE2 LYS 11 1HE LYS 11 -4.764 0.731 -9.238 90 HE3 LYS 11 2HE LYS 11 -3.797 1.197 -10.644 91 HZ1 LYS 11 3HZ LYS 11 -4.645 -1.583 -10.101 92 HZ2 LYS 11 1HZ LYS 11 -3.850 -1.030 -11.433 93 HZ3 LYS 11 2HZ LYS 11 -5.411 -0.564 -11.107 94 H ARG 12 H ARG 12 -0.650 -5.059 -9.129 95 HA ARG 12 HA ARG 12 -1.888 -4.674 -11.725 96 HB2 ARG 12 1HB ARG 12 0.115 -3.171 -11.586 97 HB3 ARG 12 2HB ARG 12 1.095 -4.539 -11.117 98 HG2 ARG 12 1HG ARG 12 1.499 -4.156 -13.396 99 HG3 ARG 12 2HG ARG 12 0.523 -5.636 -13.291 100 HD2 ARG 12 1HD ARG 12 -1.421 -4.538 -14.093 101 HD3 ARG 12 2HD ARG 12 -0.776 -2.944 -13.683 102 HE ARG 12 HE ARG 12 0.992 -3.958 -15.575 103 HH11 ARG 12 1HH1 ARG 12 -2.479 -3.147 -15.596 104 HH12 ARG 12 2HH1 ARG 12 -2.527 -2.987 -17.337 105 HH21 ARG 12 1HH2 ARG 12 0.842 -3.743 -17.879 106 HH22 ARG 12 2HH2 ARG 12 -0.700 -3.324 -18.590 107 H GLY 13 H GLY 13 1.103 -6.503 -10.905 108 HA2 GLY 13 2HA GLY 13 -0.343 -9.071 -10.750 109 HA3 GLY 13 1HA GLY 13 0.705 -8.611 -12.111 110 H GLN 14 H GLN 14 1.789 -7.319 -9.105 111 HA GLN 14 HA GLN 14 4.324 -8.591 -9.413 112 HB2 GLN 14 1HB GLN 14 3.759 -7.679 -6.663 113 HB3 GLN 14 2HB GLN 14 5.128 -7.405 -7.718 114 HG2 GLN 14 1HG GLN 14 2.685 -5.745 -7.517 115 HG3 GLN 14 2HG GLN 14 4.349 -5.347 -7.229 116 HE21 GLN 14 1HE2 GLN 14 2.643 -3.691 -8.981 117 HE22 GLN 14 2HE2 GLN 14 3.264 -3.992 -10.600 118 HA PRO 15 HA PRO 15 4.021 -12.561 -7.823 119 HB2 PRO 15 1HB PRO 15 6.158 -13.000 -6.095 120 HB3 PRO 15 2HB PRO 15 6.318 -12.757 -7.873 121 HG2 PRO 15 1HG PRO 15 6.610 -10.779 -5.607 122 HG3 PRO 15 2HG PRO 15 7.703 -10.987 -7.009 123 HD2 PRO 15 1HD PRO 15 5.876 -9.067 -6.858 124 HD3 PRO 15 2HD PRO 15 6.277 -9.809 -8.429 125 H ASN 16 H ASN 16 3.413 -10.155 -5.704 126 HA ASN 16 HA ASN 16 2.840 -11.691 -3.259 127 HB2 ASN 16 1HB ASN 16 2.614 -8.730 -3.929 128 HB3 ASN 16 2HB ASN 16 2.480 -9.423 -2.315 129 HD21 ASN 16 1HD2 ASN 16 4.659 -8.410 -4.885 130 HD22 ASN 16 2HD2 ASN 16 6.146 -8.931 -4.150 131 H HIS 17 H HIS 17 1.141 -10.669 -6.132 132 HA HIS 17 HA HIS 17 -1.263 -9.621 -5.175 133 HB2 HIS 17 1HB HIS 17 -0.302 -9.968 -7.581 134 HB3 HIS 17 2HB HIS 17 -1.136 -11.511 -7.534 135 HD1 HIS 17 1HD HIS 17 -1.764 -8.696 -9.382 136 HD2 HIS 17 2HD HIS 17 -3.971 -10.477 -6.251 137 HE1 HIS 17 1HE HIS 17 -4.130 -8.026 -9.717 138 H LYS 18 H LYS 18 -0.261 -13.033 -5.278 139 HA LYS 18 HA LYS 18 -2.499 -14.452 -4.695 140 HB2 LYS 18 1HB LYS 18 -1.166 -16.110 -3.777 141 HB3 LYS 18 2HB LYS 18 -0.050 -15.209 -4.795 142 HG2 LYS 18 1HG LYS 18 0.528 -13.908 -2.577 143 HG3 LYS 18 2HG LYS 18 -0.269 -15.266 -1.752 144 HD2 LYS 18 1HD LYS 18 1.363 -16.804 -2.959 145 HD3 LYS 18 2HD LYS 18 2.036 -15.308 -3.662 146 HE2 LYS 18 1HE LYS 18 3.518 -15.776 -1.891 147 HE3 LYS 18 2HE LYS 18 2.469 -14.491 -1.305 148 HZ1 LYS 18 3HZ LYS 18 1.176 -16.388 -0.175 149 HZ2 LYS 18 1HZ LYS 18 2.684 -15.996 0.405 150 HZ3 LYS 18 2HZ LYS 18 2.495 -17.322 -0.483 151 H VAL 19 H VAL 19 -1.031 -12.187 -2.360 152 HA VAL 19 HA VAL 19 -2.336 -13.250 -0.078 153 HB VAL 19 HB VAL 19 -1.605 -11.276 1.038 154 HG11 VAL 19 1HG1 VAL 19 0.785 -11.498 0.670 155 HG12 VAL 19 2HG1 VAL 19 0.026 -13.086 0.539 156 HG13 VAL 19 3HG1 VAL 19 0.543 -12.240 -0.921 157 HG21 VAL 19 3HG2 VAL 19 -2.116 -9.464 -0.206 158 HG22 VAL 19 1HG2 VAL 19 -0.346 -9.507 -0.199 159 HG23 VAL 19 2HG2 VAL 19 -1.277 -10.069 -1.625 160 H MET 20 H MET 20 -3.641 -11.506 -2.732 161 HA MET 20 HA MET 20 -6.149 -11.074 -1.203 162 HB2 MET 20 1HB MET 20 -6.671 -9.189 -2.446 163 HB3 MET 20 2HB MET 20 -5.037 -8.966 -1.805 164 HG2 MET 20 1HG MET 20 -4.045 -9.267 -3.938 165 HG3 MET 20 2HG MET 20 -5.519 -9.878 -4.645 166 HE1 MET 20 3HE MET 20 -5.841 -5.502 -3.178 167 HE2 MET 20 1HE MET 20 -6.550 -6.915 -2.375 168 HE3 MET 20 2HE MET 20 -4.784 -6.680 -2.368 169 H LEU 21 H LEU 21 -4.944 -13.403 -2.964 170 HA LEU 21 HA LEU 21 -7.296 -13.664 -4.775 171 HB2 LEU 21 1HB LEU 21 -4.607 -15.037 -5.047 172 HB3 LEU 21 2HB LEU 21 -5.959 -15.136 -6.169 173 HG LEU 21 HG LEU 21 -4.356 -12.641 -5.604 174 HD11 LEU 21 1HD1 LEU 21 -3.402 -12.954 -7.824 175 HD12 LEU 21 2HD1 LEU 21 -4.310 -14.475 -8.004 176 HD13 LEU 21 3HD1 LEU 21 -3.037 -14.326 -6.766 177 HD21 LEU 21 3HD2 LEU 21 -5.555 -11.820 -7.709 178 HD22 LEU 21 1HD2 LEU 21 -6.468 -11.845 -6.199 179 HD23 LEU 21 2HD2 LEU 21 -6.718 -13.124 -7.407 180 H ASP 22 H ASP 22 -6.375 -14.609 -1.770 181 HA ASP 22 HA ASP 22 -7.462 -17.352 -2.079 182 HB2 ASP 22 1HB ASP 22 -4.946 -17.404 -1.960 183 HB3 ASP 22 2HB ASP 22 -5.054 -16.755 -0.336 184 H HIS 23 H HIS 23 -9.391 -16.819 -1.306 185 HA HIS 23 HA HIS 23 -10.012 -15.006 0.665 186 HB2 HIS 23 1HB HIS 23 -11.543 -15.921 -0.974 187 HB3 HIS 23 2HB HIS 23 -11.422 -17.524 -0.245 188 HD1 HIS 23 1HD HIS 23 -13.915 -17.766 0.335 189 HD2 HIS 23 2HD HIS 23 -12.173 -14.209 1.787 190 HE1 HIS 23 1HE HIS 23 -15.626 -16.699 1.907 191 H SER 24 H SER 24 -8.523 -18.185 1.200 192 HA SER 24 HA SER 24 -9.480 -18.562 3.874 193 HB2 SER 24 1HB SER 24 -8.193 -20.175 2.215 194 HB3 SER 24 2HB SER 24 -6.742 -19.461 2.951 195 HG SER 24 HG SER 24 -7.105 -20.876 4.465 196 H HIS 25 H HIS 25 -7.098 -16.354 2.475 197 HA HIS 25 HA HIS 25 -5.859 -15.735 5.062 198 HB2 HIS 25 1HB HIS 25 -5.598 -14.500 2.315 199 HB3 HIS 25 2HB HIS 25 -4.768 -13.912 3.736 200 HD1 HIS 25 1HD HIS 25 -2.388 -14.677 3.807 201 HD2 HIS 25 2HD HIS 25 -5.034 -17.506 2.196 202 HE1 HIS 25 1HE HIS 25 -0.943 -16.619 3.005 203 H GLY 26 H GLY 26 -8.832 -15.004 3.622 204 HA2 GLY 26 2HA GLY 26 -10.344 -13.543 4.919 205 HA3 GLY 26 1HA GLY 26 -9.045 -12.353 4.958 206 H LEU 27 H LEU 27 -11.165 -11.331 4.054 207 HA LEU 27 HA LEU 27 -11.579 -11.833 1.179 208 HB2 LEU 27 1HB LEU 27 -13.448 -11.601 2.869 209 HB3 LEU 27 2HB LEU 27 -12.941 -9.923 3.090 210 HG LEU 27 HG LEU 27 -13.432 -9.451 0.680 211 HD11 LEU 27 1HD1 LEU 27 -14.817 -11.212 -0.517 212 HD12 LEU 27 2HD1 LEU 27 -14.347 -12.357 0.759 213 HD13 LEU 27 3HD1 LEU 27 -13.121 -11.637 -0.313 214 HD21 LEU 27 3HD2 LEU 27 -15.101 -9.008 2.380 215 HD22 LEU 27 1HD2 LEU 27 -15.662 -10.690 2.323 216 HD23 LEU 27 2HD2 LEU 27 -15.884 -9.610 0.913 217 H ALA 28 H ALA 28 -10.973 -10.428 -0.447 218 HA ALA 28 HA ALA 28 -10.647 -7.586 0.193 219 HB1 ALA 28 1HB ALA 28 -8.352 -8.455 -0.163 220 HB2 ALA 28 2HB ALA 28 -8.873 -9.192 -1.698 221 HB3 ALA 28 3HB ALA 28 -8.855 -7.424 -1.519 222 H ALA 29 H ALA 29 -12.002 -6.407 -1.180 223 HA ALA 29 HA ALA 29 -13.107 -7.733 -3.615 224 HB1 ALA 29 1HB ALA 29 -15.330 -6.997 -2.960 225 HB2 ALA 29 2HB ALA 29 -14.646 -7.950 -1.621 226 HB3 ALA 29 3HB ALA 29 -14.697 -6.187 -1.513 227 H PHE 30 H PHE 30 -13.459 -6.298 -5.322 228 HA PHE 30 HA PHE 30 -11.927 -3.847 -5.304 229 HB2 PHE 30 1HB PHE 30 -12.046 -5.155 -7.328 230 HB3 PHE 30 2HB PHE 30 -13.808 -5.120 -7.321 231 HD1 PHE 30 2HD PHE 30 -10.823 -2.800 -7.522 232 HD2 PHE 30 1HD PHE 30 -14.963 -3.467 -8.547 233 HE1 PHE 30 2HE PHE 30 -10.807 -0.781 -8.978 234 HE2 PHE 30 1HE PHE 30 -14.902 -1.456 -10.027 235 HZ PHE 30 HZ PHE 30 -12.843 -0.120 -10.228 236 H ARG 31 H ARG 31 -12.595 -2.114 -4.246 237 HA ARG 31 HA ARG 31 -15.513 -1.407 -4.143 238 HB2 ARG 31 1HB ARG 31 -14.655 -2.314 -2.066 239 HB3 ARG 31 2HB ARG 31 -13.279 -1.248 -2.086 240 HG2 ARG 31 1HG ARG 31 -14.762 -0.371 -0.493 241 HG3 ARG 31 2HG ARG 31 -14.892 0.709 -1.848 242 HD2 ARG 31 1HD ARG 31 -17.047 0.443 -1.296 243 HD3 ARG 31 2HD ARG 31 -16.898 -0.807 -2.547 244 HE ARG 31 HE ARG 31 -16.813 -1.212 0.416 245 HH11 ARG 31 1HH1 ARG 31 -18.131 -2.267 -2.760 246 HH12 ARG 31 2HH1 ARG 31 -18.726 -3.762 -2.148 247 HH21 ARG 31 1HH2 ARG 31 -17.959 -3.052 1.253 248 HH22 ARG 31 2HH2 ARG 31 -18.547 -4.242 0.145 249 H GLY 32 H GLY 32 -14.161 -0.792 -6.342 250 HA2 GLY 32 2HA GLY 32 -14.024 1.052 -7.735 251 HA3 GLY 32 1HA GLY 32 -14.259 2.095 -6.320 252 H ARG 33 H ARG 33 -12.567 3.437 -6.820 253 HA ARG 33 HA ARG 33 -9.834 2.419 -6.374 254 HB2 ARG 33 1HB ARG 33 -8.879 2.919 -8.477 255 HB3 ARG 33 2HB ARG 33 -10.244 1.841 -8.716 256 HG2 ARG 33 1HG ARG 33 -11.583 4.089 -9.135 257 HG3 ARG 33 2HG ARG 33 -9.982 4.771 -9.437 258 HD2 ARG 33 1HD ARG 33 -10.874 2.202 -10.757 259 HD3 ARG 33 2HD ARG 33 -11.407 3.777 -11.383 260 HE ARG 33 HE ARG 33 -8.556 3.711 -10.962 261 HH11 ARG 33 1HH1 ARG 33 -11.155 2.957 -13.314 262 HH12 ARG 33 2HH1 ARG 33 -10.076 3.055 -14.676 263 HH21 ARG 33 1HH2 ARG 33 -7.265 4.127 -12.898 264 HH22 ARG 33 2HH2 ARG 33 -8.061 4.033 -14.435 265 H GLY 34 H GLY 34 -8.078 4.343 -6.692 266 HA2 GLY 34 2HA GLY 34 -9.111 6.972 -6.462 267 HA3 GLY 34 1HA GLY 34 -8.903 6.262 -4.854 268 H CYS 35 H CYS 35 -7.608 8.425 -5.161 269 HA CYS 35 HA CYS 35 -4.752 7.613 -5.425 270 HB2 CYS 35 1HB CYS 35 -5.966 10.229 -6.444 271 HB3 CYS 35 2HB CYS 35 -4.267 9.734 -6.464 272 HG CYS 35 HG CYS 35 -5.332 9.680 -8.899 273 H THR 36 H THR 36 -3.519 8.369 -3.603 274 HA THR 36 HA THR 36 -5.011 9.468 -1.387 275 HB THR 36 HB THR 36 -2.586 9.640 -0.468 276 HG1 THR 36 1HG THR 36 -1.131 9.162 -1.827 277 HG21 THR 36 3HG2 THR 36 -2.465 7.219 -0.061 278 HG22 THR 36 1HG2 THR 36 -3.687 6.949 -1.331 279 HG23 THR 36 2HG2 THR 36 -4.123 7.831 0.167 280 H VAL 37 H VAL 37 -5.808 11.518 -1.663 281 HA VAL 37 HA VAL 37 -4.431 13.460 -3.305 282 HB VAL 37 HB VAL 37 -6.159 15.003 -2.154 283 HG11 VAL 37 1HG1 VAL 37 -7.838 14.250 -3.854 284 HG12 VAL 37 2HG1 VAL 37 -6.200 14.404 -4.488 285 HG13 VAL 37 3HG1 VAL 37 -6.836 12.792 -4.121 286 HG21 VAL 37 3HG2 VAL 37 -8.206 13.979 -1.397 287 HG22 VAL 37 1HG2 VAL 37 -7.553 12.351 -1.607 288 HG23 VAL 37 2HG2 VAL 37 -6.882 13.445 -0.358 289 H GLU 38 H GLU 38 -4.466 12.607 0.078 290 HA GLU 38 HA GLU 38 -2.640 14.691 0.988 291 HB2 GLU 38 1HB GLU 38 -3.606 12.033 1.952 292 HB3 GLU 38 2HB GLU 38 -1.951 12.445 2.407 293 HG2 GLU 38 1HG GLU 38 -2.574 14.484 3.425 294 HG3 GLU 38 2HG GLU 38 -4.229 14.386 2.841 295 H SER 39 H SER 39 -0.889 15.040 -0.265 296 HA SER 39 HA SER 39 0.580 13.086 -1.704 297 HB2 SER 39 1HB SER 39 1.925 15.366 -0.263 298 HB3 SER 39 2HB SER 39 2.255 14.721 -1.861 299 HG SER 39 HG SER 39 0.551 15.784 -2.699 300 H PHE 40 H PHE 40 2.299 11.654 -0.902 301 HA PHE 40 HA PHE 40 3.037 11.875 1.973 302 HB2 PHE 40 1HB PHE 40 1.864 9.426 0.515 303 HB3 PHE 40 2HB PHE 40 2.910 9.297 1.904 304 HD1 PHE 40 1HD PHE 40 2.132 10.716 4.070 305 HD2 PHE 40 2HD PHE 40 -0.451 9.304 0.910 306 HE1 PHE 40 1HE PHE 40 0.212 10.616 5.649 307 HE2 PHE 40 2HE PHE 40 -2.294 9.134 2.470 308 HZ PHE 40 HZ PHE 40 -1.997 9.666 4.856 309 HA PRO 41 HA PRO 41 6.820 10.901 -0.257 310 HB2 PRO 41 1HB PRO 41 8.385 10.121 1.834 311 HB3 PRO 41 2HB PRO 41 7.923 11.847 1.548 312 HG2 PRO 41 1HG PRO 41 6.626 9.841 3.382 313 HG3 PRO 41 2HG PRO 41 7.046 11.554 3.771 314 HD2 PRO 41 1HD PRO 41 4.570 10.826 3.150 315 HD3 PRO 41 2HD PRO 41 5.263 12.368 2.559 316 H LEU 42 H LEU 42 6.266 9.152 -1.513 317 HA LEU 42 HA LEU 42 6.501 6.436 -0.351 318 HB2 LEU 42 1HB LEU 42 4.678 6.727 -2.002 319 HB3 LEU 42 2HB LEU 42 5.794 7.495 -3.131 320 HG LEU 42 HG LEU 42 7.033 5.361 -3.387 321 HD11 LEU 42 1HD1 LEU 42 6.546 4.287 -1.228 322 HD12 LEU 42 2HD1 LEU 42 6.001 3.260 -2.552 323 HD13 LEU 42 3HD1 LEU 42 4.820 4.215 -1.629 324 HD21 LEU 42 3HD2 LEU 42 4.075 4.957 -3.923 325 HD22 LEU 42 1HD2 LEU 42 5.463 4.332 -4.855 326 HD23 LEU 42 2HD2 LEU 42 5.082 6.052 -4.870 327 H VAL 43 H VAL 43 8.533 5.633 -0.206 328 HA VAL 43 HA VAL 43 10.534 6.521 -2.213 329 HB VAL 43 HB VAL 43 12.248 6.518 -0.425 330 HG11 VAL 43 1HG1 VAL 43 9.992 8.491 0.115 331 HG12 VAL 43 2HG1 VAL 43 11.715 8.711 0.486 332 HG13 VAL 43 3HG1 VAL 43 11.184 8.626 -1.199 333 HG21 VAL 43 3HG2 VAL 43 9.911 6.411 1.552 334 HG22 VAL 43 1HG2 VAL 43 11.136 5.145 1.314 335 HG23 VAL 43 2HG2 VAL 43 11.613 6.724 1.944 336 H ILE 44 H ILE 44 12.119 4.887 -2.739 337 HA ILE 44 HA ILE 44 11.269 2.163 -1.895 338 HB ILE 44 HB ILE 44 12.506 2.843 -4.553 339 HG12 ILE 44 1HG1 ILE 44 9.659 3.149 -3.652 340 HG13 ILE 44 2HG1 ILE 44 10.568 4.002 -4.859 341 HG21 ILE 44 1HG2 ILE 44 11.717 0.560 -5.113 342 HG22 ILE 44 2HG2 ILE 44 12.788 0.522 -3.721 343 HG23 ILE 44 3HG2 ILE 44 11.043 0.374 -3.489 344 HD11 ILE 44 3HD1 ILE 44 9.309 1.247 -5.198 345 HD12 ILE 44 1HD1 ILE 44 8.648 2.774 -5.766 346 HD13 ILE 44 2HD1 ILE 44 10.168 2.170 -6.465 347 H ALA 45 H ALA 45 12.621 1.546 -0.314 348 HA ALA 45 HA ALA 45 15.508 2.092 -0.463 349 HB1 ALA 45 1HB ALA 45 13.786 3.020 1.874 350 HB2 ALA 45 2HB ALA 45 15.540 3.217 1.652 351 HB3 ALA 45 3HB ALA 45 14.412 4.099 0.607 352 H GLY 46 H GLY 46 16.581 0.442 0.504 353 HA2 GLY 46 2HA GLY 46 16.807 -1.303 2.182 354 HA3 GLY 46 1HA GLY 46 15.076 -1.647 2.046 355 H GLU 47 H GLU 47 17.327 -3.407 1.644 356 HA GLU 47 HA GLU 47 18.184 -3.635 -0.983 357 HB2 GLU 47 1HB GLU 47 19.145 -4.510 1.240 358 HB3 GLU 47 2HB GLU 47 18.079 -5.905 1.038 359 HG2 GLU 47 1HG GLU 47 19.289 -6.219 -1.251 360 HG3 GLU 47 2HG GLU 47 20.454 -5.037 -0.658 361 H HIS 48 H HIS 48 15.204 -4.906 0.313 362 HA HIS 48 HA HIS 48 15.132 -6.880 -1.844 363 HB2 HIS 48 1HB HIS 48 13.592 -6.474 0.710 364 HB3 HIS 48 2HB HIS 48 12.764 -7.313 -0.579 365 HD1 HIS 48 1HD HIS 48 13.414 -9.845 -1.010 366 HD2 HIS 48 2HD HIS 48 15.836 -7.724 1.735 367 HE1 HIS 48 1HE HIS 48 14.876 -11.567 0.159 368 H ASN 49 H ASN 49 14.534 -3.724 -1.880 369 HA ASN 49 HA ASN 49 13.166 -2.290 -2.784 370 HB2 ASN 49 1HB ASN 49 12.685 -4.431 -4.801 371 HB3 ASN 49 2HB ASN 49 12.047 -2.797 -4.974 372 HD21 ASN 49 1HD2 ASN 49 14.401 -4.532 -6.245 373 HD22 ASN 49 2HD2 ASN 49 15.751 -3.408 -6.236 374 H ILE 50 H ILE 50 12.163 -2.642 -0.684 375 HA ILE 50 HA ILE 50 9.319 -3.432 -0.780 376 HB ILE 50 HB ILE 50 11.082 -3.293 1.706 377 HG12 ILE 50 1HG1 ILE 50 9.929 -5.807 0.459 378 HG13 ILE 50 2HG1 ILE 50 11.601 -5.294 0.224 379 HG21 ILE 50 1HG2 ILE 50 9.076 -4.183 2.829 380 HG22 ILE 50 2HG2 ILE 50 8.635 -2.725 1.951 381 HG23 ILE 50 3HG2 ILE 50 8.236 -4.324 1.269 382 HD11 ILE 50 3HD1 ILE 50 10.311 -6.063 2.867 383 HD12 ILE 50 1HD1 ILE 50 11.628 -6.874 2.013 384 HD13 ILE 50 2HD1 ILE 50 11.900 -5.276 2.719 385 HA PRO 51 HA PRO 51 10.086 1.150 -0.640 386 HB2 PRO 51 1HB PRO 51 7.733 1.969 -1.780 387 HB3 PRO 51 2HB PRO 51 9.116 1.355 -2.732 388 HG2 PRO 51 1HG PRO 51 6.730 -0.209 -1.807 389 HG3 PRO 51 2HG PRO 51 7.371 -0.084 -3.482 390 HD2 PRO 51 1HD PRO 51 8.072 -2.167 -1.902 391 HD3 PRO 51 2HD PRO 51 9.309 -1.367 -2.909 392 H TRP 52 H TRP 52 9.143 2.776 0.698 393 HA TRP 52 HA TRP 52 7.253 1.732 2.764 394 HB2 TRP 52 1HB TRP 52 9.611 3.607 3.202 395 HB3 TRP 52 2HB TRP 52 8.477 3.043 4.406 396 HD1 TRP 52 HD TRP 52 11.424 1.784 2.301 397 HE1 TRP 52 1HE TRP 52 12.268 -0.403 3.192 398 HE3 TRP 52 3HE TRP 52 7.784 0.955 5.781 399 HZ2 TRP 52 2HZ TRP 52 11.509 -2.307 5.308 400 HZ3 TRP 52 3HZ TRP 52 7.857 -1.051 7.209 401 HH2 TRP 52 HH TRP 52 9.772 -2.645 7.038 402 H LEU 53 H LEU 53 5.950 3.444 3.864 403 HA LEU 53 HA LEU 53 5.750 5.874 2.317 404 HB2 LEU 53 1HB LEU 53 3.791 4.233 1.885 405 HB3 LEU 53 2HB LEU 53 3.320 4.581 3.552 406 HG LEU 53 HG LEU 53 3.687 7.142 2.736 407 HD11 LEU 53 1HD1 LEU 53 4.498 6.487 0.513 408 HD12 LEU 53 2HD1 LEU 53 3.025 7.444 0.400 409 HD13 LEU 53 3HD1 LEU 53 2.951 5.683 0.164 410 HD21 LEU 53 3HD2 LEU 53 1.637 6.549 3.604 411 HD22 LEU 53 1HD2 LEU 53 1.246 5.423 2.239 412 HD23 LEU 53 2HD2 LEU 53 1.256 7.179 2.005 413 H LEU 54 H LEU 54 6.803 7.174 3.575 414 HA LEU 54 HA LEU 54 6.838 6.859 6.472 415 HB2 LEU 54 1HB LEU 54 7.673 9.374 5.092 416 HB3 LEU 54 2HB LEU 54 8.362 8.630 6.507 417 HG LEU 54 HG LEU 54 8.742 7.862 3.582 418 HD11 LEU 54 1HD1 LEU 54 11.069 8.445 3.987 419 HD12 LEU 54 2HD1 LEU 54 10.729 8.784 5.700 420 HD13 LEU 54 3HD1 LEU 54 10.025 9.801 4.431 421 HD21 LEU 54 3HD2 LEU 54 8.674 5.737 4.822 422 HD22 LEU 54 1HD2 LEU 54 9.780 6.393 6.027 423 HD23 LEU 54 2HD2 LEU 54 10.334 6.112 4.357 424 H TYR 55 H TYR 55 5.350 7.847 7.888 425 HA TYR 55 HA TYR 55 3.008 8.932 6.608 426 HB2 TYR 55 1HB TYR 55 2.794 7.661 8.701 427 HB3 TYR 55 2HB TYR 55 3.713 8.845 9.576 428 HD1 TYR 55 1HD TYR 55 0.792 8.585 7.302 429 HD2 TYR 55 2HD TYR 55 2.465 10.567 10.733 430 HE1 TYR 55 1HE TYR 55 -1.276 9.988 7.505 431 HE2 TYR 55 2HE TYR 55 0.398 11.927 10.970 432 HH TYR 55 HH TYR 55 -2.266 11.764 8.583 433 H LEU 56 H LEU 56 3.516 10.782 5.456 434 HA LEU 56 HA LEU 56 3.701 13.204 7.096 435 HB2 LEU 56 1HB LEU 56 5.974 12.312 5.959 436 HB3 LEU 56 2HB LEU 56 5.436 13.503 4.846 437 HG LEU 56 HG LEU 56 6.412 13.835 7.659 438 HD11 LEU 56 1HD1 LEU 56 7.132 15.943 6.667 439 HD12 LEU 56 2HD1 LEU 56 5.955 15.651 5.347 440 HD13 LEU 56 3HD1 LEU 56 7.419 14.607 5.518 441 HD21 LEU 56 3HD2 LEU 56 4.078 15.608 6.757 442 HD22 LEU 56 1HD2 LEU 56 5.288 16.093 7.964 443 HD23 LEU 56 2HD2 LEU 56 4.243 14.742 8.306 444 HA PRO 57 HA PRO 57 0.436 13.560 3.863 445 HB2 PRO 57 1HB PRO 57 -1.265 15.120 5.317 446 HB3 PRO 57 2HB PRO 57 -1.172 13.331 5.444 447 HG2 PRO 57 1HG PRO 57 0.065 15.396 7.266 448 HG3 PRO 57 2HG PRO 57 -0.820 13.899 7.706 449 HD2 PRO 57 1HD PRO 57 1.907 14.072 7.631 450 HD3 PRO 57 2HD PRO 57 1.083 12.552 7.236 451 H GLY 58 H GLY 58 0.952 14.901 2.321 452 HA2 GLY 58 2HA GLY 58 0.845 17.057 1.315 453 HA3 GLY 58 1HA GLY 58 1.343 17.814 2.824 454 H LYS 59 H LYS 59 3.479 15.205 2.473 455 HA LYS 59 HA LYS 59 5.353 16.764 0.705 456 HB2 LYS 59 1HB LYS 59 5.692 15.072 3.168 457 HB3 LYS 59 2HB LYS 59 6.931 14.932 1.938 458 HG2 LYS 59 1HG LYS 59 7.381 16.567 3.769 459 HG3 LYS 59 2HG LYS 59 7.624 17.154 2.127 460 HD2 LYS 59 1HD LYS 59 5.583 18.445 2.207 461 HD3 LYS 59 2HD LYS 59 5.148 17.764 3.797 462 HE2 LYS 59 1HE LYS 59 6.955 18.904 4.876 463 HE3 LYS 59 2HE LYS 59 7.759 19.238 3.328 464 HZ1 LYS 59 3HZ LYS 59 5.218 20.470 4.205 465 HZ2 LYS 59 1HZ LYS 59 5.987 20.722 2.762 466 HZ3 LYS 59 2HZ LYS 59 6.700 21.195 4.159 467 H GLY 60 H GLY 60 6.694 15.355 -0.700 468 HA2 GLY 60 2HA GLY 60 6.852 13.728 -2.318 469 HA3 GLY 60 1HA GLY 60 5.835 12.646 -1.346 470 H HIS 61 H HIS 61 4.261 12.098 -2.820 471 HA HIS 61 HA HIS 61 2.654 14.220 -4.105 472 HB2 HIS 61 1HB HIS 61 3.890 11.908 -5.631 473 HB3 HIS 61 2HB HIS 61 2.855 13.206 -6.278 474 HD1 HIS 61 1HD HIS 61 3.973 15.753 -6.114 475 HD2 HIS 61 2HD HIS 61 6.416 12.366 -5.620 476 HE1 HIS 61 1HE HIS 61 6.372 16.597 -6.283 477 H CYS 62 H CYS 62 0.958 12.868 -5.565 478 HA CYS 62 HA CYS 62 -0.600 11.298 -3.654 479 HB2 CYS 62 1HB CYS 62 -1.177 12.153 -6.530 480 HB3 CYS 62 2HB CYS 62 -2.320 11.388 -5.421 481 HG CYS 62 HG CYS 62 -2.285 13.117 -3.570 482 H VAL 63 H VAL 63 -0.285 9.196 -3.427 483 HA VAL 63 HA VAL 63 0.944 7.621 -5.540 484 HB VAL 63 HB VAL 63 -0.180 6.711 -2.876 485 HG11 VAL 63 1HG1 VAL 63 1.414 4.816 -3.302 486 HG12 VAL 63 2HG1 VAL 63 0.133 4.908 -4.528 487 HG13 VAL 63 3HG1 VAL 63 1.769 5.492 -4.900 488 HG21 VAL 63 3HG2 VAL 63 1.600 8.316 -2.392 489 HG22 VAL 63 1HG2 VAL 63 2.178 6.688 -2.090 490 HG23 VAL 63 2HG2 VAL 63 2.674 7.540 -3.577 491 H THR 64 H THR 64 -0.335 7.083 -7.219 492 HA THR 64 HA THR 64 -3.253 6.935 -6.883 493 HB THR 64 HB THR 64 -3.380 6.766 -9.240 494 HG1 THR 64 1HG THR 64 -0.549 6.718 -9.346 495 HG21 THR 64 3HG2 THR 64 -1.083 8.697 -8.659 496 HG22 THR 64 1HG2 THR 64 -2.761 9.017 -8.225 497 HG23 THR 64 2HG2 THR 64 -2.306 8.815 -9.925 498 H GLY 65 H GLY 65 -4.588 4.969 -7.034 499 HA2 GLY 65 2HA GLY 65 -3.302 2.386 -7.277 500 HA3 GLY 65 1HA GLY 65 -3.618 2.877 -5.605 501 H GLU 66 H GLU 66 -5.025 0.842 -5.762 502 HA GLU 66 HA GLU 66 -7.704 1.519 -6.816 503 HB2 GLU 66 1HB GLU 66 -6.089 -0.821 -7.434 504 HB3 GLU 66 2HB GLU 66 -7.421 -1.317 -6.409 505 HG2 GLU 66 1HG GLU 66 -8.353 -1.563 -8.482 506 HG3 GLU 66 2HG GLU 66 -8.949 0.026 -8.003 507 H ILE 67 H ILE 67 -9.484 0.458 -5.430 508 HA ILE 67 HA ILE 67 -8.698 0.582 -2.578 509 HB ILE 67 HB ILE 67 -11.162 1.509 -4.105 510 HG12 ILE 67 1HG1 ILE 67 -9.250 2.874 -2.187 511 HG13 ILE 67 2HG1 ILE 67 -9.146 3.024 -3.942 512 HG21 ILE 67 1HG2 ILE 67 -11.945 0.332 -2.032 513 HG22 ILE 67 2HG2 ILE 67 -10.819 1.267 -1.097 514 HG23 ILE 67 3HG2 ILE 67 -12.174 2.057 -1.954 515 HD11 ILE 67 3HD1 ILE 67 -11.319 4.122 -2.136 516 HD12 ILE 67 1HD1 ILE 67 -10.134 5.018 -3.083 517 HD13 ILE 67 2HD1 ILE 67 -11.432 4.076 -3.912 518 H TYR 68 H TYR 68 -9.256 -1.062 -1.289 519 HA TYR 68 HA TYR 68 -11.002 -3.165 -2.379 520 HB2 TYR 68 1HB TYR 68 -8.415 -3.584 -0.875 521 HB3 TYR 68 2HB TYR 68 -9.630 -4.833 -1.135 522 HD1 TYR 68 2HD TYR 68 -7.274 -2.521 -2.888 523 HD2 TYR 68 1HD TYR 68 -9.836 -5.968 -3.274 524 HE1 TYR 68 2HE TYR 68 -6.441 -2.888 -5.185 525 HE2 TYR 68 1HE TYR 68 -8.991 -6.346 -5.572 526 HH TYR 68 HH TYR 68 -7.657 -5.464 -7.331 527 H GLU 69 H GLU 69 -12.649 -3.600 -1.142 528 HA GLU 69 HA GLU 69 -12.844 -2.697 1.675 529 HB2 GLU 69 1HB GLU 69 -14.855 -2.672 0.287 530 HB3 GLU 69 2HB GLU 69 -14.686 -4.377 -0.105 531 HG2 GLU 69 1HG GLU 69 -14.728 -3.619 2.817 532 HG3 GLU 69 2HG GLU 69 -16.185 -3.319 1.926 533 H VAL 70 H VAL 70 -12.558 -4.218 3.381 534 HA VAL 70 HA VAL 70 -11.683 -6.910 2.600 535 HB VAL 70 HB VAL 70 -9.689 -6.650 4.086 536 HG11 VAL 70 1HG1 VAL 70 -9.489 -6.476 1.614 537 HG12 VAL 70 2HG1 VAL 70 -9.620 -4.715 1.734 538 HG13 VAL 70 3HG1 VAL 70 -8.255 -5.578 2.482 539 HG21 VAL 70 3HG2 VAL 70 -10.291 -3.667 4.001 540 HG22 VAL 70 1HG2 VAL 70 -10.329 -4.731 5.427 541 HG23 VAL 70 2HG2 VAL 70 -8.800 -4.424 4.593 542 H ASP 71 H ASP 71 -11.662 -8.401 4.380 543 HA ASP 71 HA ASP 71 -13.538 -7.554 6.519 544 HB2 ASP 71 1HB ASP 71 -14.162 -9.722 6.923 545 HB3 ASP 71 2HB ASP 71 -14.237 -9.505 5.185 546 H GLU 72 H GLU 72 -13.164 -8.866 8.514 547 HA GLU 72 HA GLU 72 -10.855 -7.755 9.723 548 HB2 GLU 72 1HB GLU 72 -13.344 -9.117 10.396 549 HB3 GLU 72 2HB GLU 72 -12.122 -9.690 11.496 550 HG2 GLU 72 1HG GLU 72 -12.215 -6.733 11.012 551 HG3 GLU 72 2HG GLU 72 -13.477 -7.453 12.035 552 H GLN 73 H GLN 73 -11.234 -10.580 8.068 553 HA GLN 73 HA GLN 73 -8.977 -11.964 9.458 554 HB2 GLN 73 1HB GLN 73 -10.757 -13.437 8.699 555 HB3 GLN 73 2HB GLN 73 -10.561 -12.883 7.061 556 HG2 GLN 73 1HG GLN 73 -9.494 -15.081 7.392 557 HG3 GLN 73 2HG GLN 73 -8.326 -13.838 6.948 558 HE21 GLN 73 1HE2 GLN 73 -9.373 -13.801 10.343 559 HE22 GLN 73 2HE2 GLN 73 -7.799 -14.320 10.878 560 H MET 74 H MET 74 -9.668 -10.389 6.286 561 HA MET 74 HA MET 74 -6.997 -10.693 5.291 562 HB2 MET 74 1HB MET 74 -8.840 -10.151 3.842 563 HB3 MET 74 2HB MET 74 -9.242 -8.720 4.747 564 HG2 MET 74 1HG MET 74 -8.257 -8.060 2.702 565 HG3 MET 74 2HG MET 74 -7.153 -7.622 3.990 566 HE1 MET 74 3HE MET 74 -7.327 -11.416 2.605 567 HE2 MET 74 1HE MET 74 -8.116 -10.332 1.436 568 HE3 MET 74 2HE MET 74 -6.586 -11.116 1.027 569 H LEU 75 H LEU 75 -8.515 -7.910 7.004 570 HA LEU 75 HA LEU 75 -6.130 -6.332 6.841 571 HB2 LEU 75 1HB LEU 75 -8.804 -5.935 7.527 572 HB3 LEU 75 2HB LEU 75 -8.039 -5.721 9.041 573 HG LEU 75 HG LEU 75 -8.147 -3.952 6.721 574 HD11 LEU 75 1HD1 LEU 75 -7.524 -3.395 9.631 575 HD12 LEU 75 2HD1 LEU 75 -9.154 -3.617 8.986 576 HD13 LEU 75 3HD1 LEU 75 -8.128 -2.246 8.426 577 HD21 LEU 75 3HD2 LEU 75 -6.070 -2.696 7.222 578 HD22 LEU 75 1HD2 LEU 75 -5.778 -4.238 6.406 579 HD23 LEU 75 2HD2 LEU 75 -5.493 -4.104 8.146 580 H ARG 76 H ARG 76 -7.062 -8.830 8.997 581 HA ARG 76 HA ARG 76 -4.960 -8.438 11.003 582 HB2 ARG 76 1HB ARG 76 -7.053 -10.554 10.482 583 HB3 ARG 76 2HB ARG 76 -5.665 -10.924 11.499 584 HG2 ARG 76 1HG ARG 76 -6.189 -8.918 12.914 585 HG3 ARG 76 2HG ARG 76 -7.654 -8.685 11.990 586 HD2 ARG 76 1HD ARG 76 -7.956 -11.285 12.540 587 HD3 ARG 76 2HD ARG 76 -6.983 -10.828 13.945 588 HE ARG 76 HE ARG 76 -9.203 -8.997 13.350 589 HH11 ARG 76 1HH1 ARG 76 -8.513 -12.164 14.924 590 HH12 ARG 76 2HH1 ARG 76 -9.971 -12.130 15.836 591 HH21 ARG 76 1HH2 ARG 76 -10.997 -8.921 14.736 592 HH22 ARG 76 2HH2 ARG 76 -11.400 -10.249 15.760 593 H PHE 77 H PHE 77 -5.478 -10.655 8.161 594 HA PHE 77 HA PHE 77 -3.060 -12.096 8.559 595 HB2 PHE 77 1HB PHE 77 -4.742 -12.973 7.060 596 HB3 PHE 77 2HB PHE 77 -4.734 -11.497 6.098 597 HD1 PHE 77 2HD PHE 77 -2.391 -14.237 7.215 598 HD2 PHE 77 1HD PHE 77 -3.383 -11.319 4.214 599 HE1 PHE 77 2HE PHE 77 -0.360 -14.856 5.945 600 HE2 PHE 77 1HE PHE 77 -1.313 -11.890 2.988 601 HZ PHE 77 HZ PHE 77 0.203 -13.669 3.829 602 H LEU 78 H LEU 78 -3.733 -9.157 6.612 603 HA LEU 78 HA LEU 78 -1.047 -8.593 5.859 604 HB2 LEU 78 1HB LEU 78 -3.510 -6.911 6.329 605 HB3 LEU 78 2HB LEU 78 -1.960 -6.145 5.997 606 HG LEU 78 HG LEU 78 -1.836 -6.786 3.825 607 HD11 LEU 78 1HD1 LEU 78 -3.122 -8.560 2.689 608 HD12 LEU 78 2HD1 LEU 78 -3.838 -9.030 4.242 609 HD13 LEU 78 3HD1 LEU 78 -2.088 -9.213 3.964 610 HD21 LEU 78 3HD2 LEU 78 -4.843 -6.676 4.332 611 HD22 LEU 78 1HD2 LEU 78 -4.029 -6.330 2.794 612 HD23 LEU 78 2HD2 LEU 78 -3.765 -5.270 4.186 613 H ASP 79 H ASP 79 -2.665 -8.203 8.972 614 HA ASP 79 HA ASP 79 -0.676 -6.507 10.164 615 HB2 ASP 79 1HB ASP 79 -3.183 -7.003 10.809 616 HB3 ASP 79 2HB ASP 79 -2.477 -8.236 11.827 617 H ASP 80 H ASP 80 -0.291 -9.541 9.086 618 HA ASP 80 HA ASP 80 1.800 -10.263 11.094 619 HB2 ASP 80 1HB ASP 80 -0.117 -11.766 11.311 620 HB3 ASP 80 2HB ASP 80 -0.134 -12.084 9.588 621 H PHE 81 H PHE 81 0.654 -10.558 7.730 622 HA PHE 81 HA PHE 81 3.092 -11.380 6.560 623 HB2 PHE 81 1HB PHE 81 0.956 -11.631 5.456 624 HB3 PHE 81 2HB PHE 81 0.662 -9.896 5.489 625 HD1 PHE 81 1HD PHE 81 3.597 -11.984 4.355 626 HD2 PHE 81 2HD PHE 81 0.667 -8.977 3.298 627 HE1 PHE 81 1HE PHE 81 4.675 -11.681 2.167 628 HE2 PHE 81 2HE PHE 81 1.735 -8.715 1.114 629 HZ PHE 81 HZ PHE 81 3.750 -10.046 0.520 630 H GLU 82 H GLU 82 1.839 -8.060 7.230 631 HA GLU 82 HA GLU 82 4.213 -6.884 5.917 632 HB2 GLU 82 1HB GLU 82 1.948 -5.424 7.297 633 HB3 GLU 82 2HB GLU 82 3.139 -4.767 6.208 634 HG2 GLU 82 1HG GLU 82 0.951 -6.719 5.403 635 HG3 GLU 82 2HG GLU 82 0.972 -4.996 5.111 636 H ASP 83 H ASP 83 3.907 -8.391 8.744 637 HA ASP 83 HA ASP 83 4.888 -8.272 10.773 638 HB2 ASP 83 1HB ASP 83 6.840 -8.141 8.897 639 HB3 ASP 83 2HB ASP 83 7.068 -6.598 9.598 640 H CYS 84 H CYS 84 3.018 -5.993 10.419 641 HA CYS 84 HA CYS 84 4.301 -3.745 11.827 642 HB2 CYS 84 1HB CYS 84 1.763 -3.172 12.135 643 HB3 CYS 84 2HB CYS 84 2.573 -2.917 10.581 644 HG CYS 84 HG CYS 84 0.776 -5.507 11.546 645 HA PRO 85 HA PRO 85 3.240 -2.149 13.549 646 HB2 PRO 85 1HB PRO 85 4.031 -1.379 16.028 647 HB3 PRO 85 2HB PRO 85 2.346 -1.819 15.630 648 HG2 PRO 85 1HG PRO 85 4.470 -3.584 16.884 649 HG3 PRO 85 2HG PRO 85 2.774 -3.313 17.432 650 HD2 PRO 85 1HD PRO 85 3.471 -5.465 15.918 651 HD3 PRO 85 2HD PRO 85 1.905 -4.641 15.704 652 H SER 86 H SER 86 5.672 -4.530 14.036 653 HA SER 86 HA SER 86 8.016 -3.070 14.561 654 HB2 SER 86 1HB SER 86 7.279 -5.657 13.260 655 HB3 SER 86 2HB SER 86 8.853 -5.044 12.878 656 HG SER 86 HG SER 86 8.111 -6.465 14.863 657 H MET 87 H MET 87 7.010 -4.240 11.306 658 HA MET 87 HA MET 87 8.946 -2.444 10.068 659 HB2 MET 87 1HB MET 87 6.884 -4.410 9.013 660 HB3 MET 87 2HB MET 87 7.762 -3.304 7.987 661 HG2 MET 87 1HG MET 87 9.869 -4.330 9.163 662 HG3 MET 87 2HG MET 87 8.849 -5.694 9.409 663 HE1 MET 87 3HE MET 87 7.854 -6.194 5.442 664 HE2 MET 87 1HE MET 87 7.369 -6.653 7.094 665 HE3 MET 87 2HE MET 87 7.074 -5.005 6.505 666 H TYR 88 H TYR 88 5.395 -2.782 9.761 667 HA TYR 88 HA TYR 88 5.236 0.115 8.985 668 HB2 TYR 88 1HB TYR 88 3.340 -2.204 8.425 669 HB3 TYR 88 2HB TYR 88 2.977 -0.518 8.092 670 HD1 TYR 88 2HD TYR 88 4.012 0.638 6.256 671 HD2 TYR 88 1HD TYR 88 4.955 -3.436 7.047 672 HE1 TYR 88 2HE TYR 88 5.204 0.502 3.971 673 HE2 TYR 88 1HE TYR 88 6.187 -3.613 4.928 674 HH TYR 88 HH TYR 88 6.627 -2.602 2.917 675 H GLN 89 H GLN 89 3.098 1.153 9.851 676 HA GLN 89 HA GLN 89 2.256 0.016 12.501 677 HB2 GLN 89 1HB GLN 89 3.414 2.745 11.873 678 HB3 GLN 89 2HB GLN 89 2.207 2.584 13.140 679 HG2 GLN 89 1HG GLN 89 3.699 1.946 14.589 680 HG3 GLN 89 2HG GLN 89 4.049 0.505 13.677 681 HE21 GLN 89 1HE2 GLN 89 6.147 0.264 13.018 682 HE22 GLN 89 2HE2 GLN 89 7.333 1.521 12.868 683 H ARG 90 H ARG 90 1.281 1.373 9.699 684 HA ARG 90 HA ARG 90 -0.713 1.981 8.691 685 HB2 ARG 90 1HB ARG 90 -1.342 -0.205 9.324 686 HB3 ARG 90 2HB ARG 90 -1.829 0.284 10.921 687 HG2 ARG 90 1HG ARG 90 -3.232 1.362 8.455 688 HG3 ARG 90 2HG ARG 90 -3.543 -0.246 9.030 689 HD2 ARG 90 1HD ARG 90 -4.275 2.330 10.411 690 HD3 ARG 90 2HD ARG 90 -5.296 0.982 9.838 691 HE ARG 90 HE ARG 90 -3.434 0.155 11.909 692 HH11 ARG 90 1HH1 ARG 90 -6.700 1.370 11.317 693 HH12 ARG 90 2HH1 ARG 90 -7.283 0.935 12.869 694 HH21 ARG 90 1HH2 ARG 90 -4.304 -0.707 13.724 695 HH22 ARG 90 2HH2 ARG 90 -5.937 -0.429 14.218 696 H THR 91 H THR 91 -2.414 3.459 8.525 697 HA THR 91 HA THR 91 -3.010 5.186 10.827 698 HB THR 91 HB THR 91 -1.715 6.180 8.276 699 HG1 THR 91 1HG THR 91 -0.545 5.541 10.821 700 HG21 THR 91 3HG2 THR 91 -2.800 7.687 10.536 701 HG22 THR 91 1HG2 THR 91 -2.272 8.194 8.913 702 HG23 THR 91 2HG2 THR 91 -1.101 8.086 10.184 703 H ALA 92 H ALA 92 -4.478 6.980 9.951 704 HA ALA 92 HA ALA 92 -6.320 6.113 7.808 705 HB1 ALA 92 1HB ALA 92 -7.370 6.907 9.876 706 HB2 ALA 92 2HB ALA 92 -6.374 8.394 9.848 707 HB3 ALA 92 3HB ALA 92 -7.578 8.132 8.609 708 H LEU 93 H LEU 93 -6.646 7.593 6.044 709 HA LEU 93 HA LEU 93 -4.991 10.024 5.837 710 HB2 LEU 93 1HB LEU 93 -4.181 9.409 3.566 711 HB3 LEU 93 2HB LEU 93 -3.584 8.429 4.867 712 HG LEU 93 HG LEU 93 -4.075 7.134 2.710 713 HD11 LEU 93 1HD1 LEU 93 -3.633 6.416 4.988 714 HD12 LEU 93 2HD1 LEU 93 -4.513 5.288 3.914 715 HD13 LEU 93 3HD1 LEU 93 -5.415 6.116 5.159 716 HD21 LEU 93 3HD2 LEU 93 -6.921 7.301 3.601 717 HD22 LEU 93 1HD2 LEU 93 -6.139 6.575 2.160 718 HD23 LEU 93 2HD2 LEU 93 -6.171 8.306 2.296 719 H GLN 94 H GLN 94 -5.454 10.719 3.313 720 HA GLN 94 HA GLN 94 -8.390 10.569 2.960 721 HB2 GLN 94 1HB GLN 94 -7.467 12.792 3.930 722 HB3 GLN 94 2HB GLN 94 -6.593 13.010 2.420 723 HG2 GLN 94 1HG GLN 94 -8.410 14.346 2.097 724 HG3 GLN 94 2HG GLN 94 -8.945 12.895 1.294 725 HE21 GLN 94 1HE2 GLN 94 -10.134 11.266 3.258 726 HE22 GLN 94 2HE2 GLN 94 -11.399 12.221 4.008 727 H VAL 95 H VAL 95 -8.927 9.685 1.070 728 HA VAL 95 HA VAL 95 -7.139 9.846 -1.296 729 HB VAL 95 HB VAL 95 -6.663 7.962 -0.224 730 HG11 VAL 95 1HG1 VAL 95 -9.342 7.336 0.310 731 HG12 VAL 95 2HG1 VAL 95 -8.014 6.070 0.335 732 HG13 VAL 95 3HG1 VAL 95 -7.923 7.481 1.366 733 HG21 VAL 95 3HG2 VAL 95 -6.870 7.545 -2.662 734 HG22 VAL 95 1HG2 VAL 95 -7.183 6.072 -1.748 735 HG23 VAL 95 2HG2 VAL 95 -8.535 7.005 -2.399 736 H GLN 96 H GLN 96 -7.995 10.537 -2.980 737 HA GLN 96 HA GLN 96 -10.724 11.256 -3.261 738 HB2 GLN 96 1HB GLN 96 -8.933 12.393 -4.456 739 HB3 GLN 96 2HB GLN 96 -8.669 10.943 -5.459 740 HG2 GLN 96 1HG GLN 96 -11.112 11.159 -6.171 741 HG3 GLN 96 2HG GLN 96 -11.208 12.639 -5.212 742 HE21 GLN 96 1HE2 GLN 96 -11.663 14.022 -7.025 743 HE22 GLN 96 2HE2 GLN 96 -10.430 14.270 -8.266 744 H VAL 97 H VAL 97 -12.437 10.127 -3.899 745 HA VAL 97 HA VAL 97 -12.300 7.302 -4.568 746 HB VAL 97 HB VAL 97 -14.636 9.261 -4.274 747 HG11 VAL 97 1HG1 VAL 97 -15.971 7.278 -3.782 748 HG12 VAL 97 2HG1 VAL 97 -15.240 7.125 -5.377 749 HG13 VAL 97 3HG1 VAL 97 -14.542 6.224 -4.018 750 HG21 VAL 97 3HG2 VAL 97 -14.880 8.395 -1.973 751 HG22 VAL 97 1HG2 VAL 97 -13.326 7.507 -2.150 752 HG23 VAL 97 2HG2 VAL 97 -13.408 9.273 -2.185 753 H LEU 98 H LEU 98 -11.178 7.479 -6.541 754 HA LEU 98 HA LEU 98 -12.117 8.993 -8.821 755 HB2 LEU 98 1HB LEU 98 -10.135 6.797 -8.346 756 HB3 LEU 98 2HB LEU 98 -10.854 6.868 -9.947 757 HG LEU 98 HG LEU 98 -10.173 9.293 -10.107 758 HD11 LEU 98 1HD1 LEU 98 -8.346 10.070 -8.676 759 HD12 LEU 98 2HD1 LEU 98 -8.367 8.575 -7.751 760 HD13 LEU 98 3HD1 LEU 98 -9.753 9.703 -7.667 761 HD21 LEU 98 3HD2 LEU 98 -7.846 8.720 -10.691 762 HD22 LEU 98 1HD2 LEU 98 -8.967 7.470 -11.237 763 HD23 LEU 98 2HD2 LEU 98 -7.982 7.192 -9.778 764 H GLU 99 H GLU 99 -12.998 5.874 -7.363 765 HA GLU 99 HA GLU 99 -15.491 5.874 -8.773 766 HB2 GLU 99 1HB GLU 99 -13.968 4.571 -10.341 767 HB3 GLU 99 2HB GLU 99 -13.670 3.419 -9.041 768 HG2 GLU 99 1HG GLU 99 -15.867 2.576 -9.083 769 HG3 GLU 99 2HG GLU 99 -16.498 4.004 -9.915 770 H TRP 100 H TRP 100 -16.970 4.289 -7.623 771 HA TRP 100 HA TRP 100 -15.948 3.009 -5.177 772 HB2 TRP 100 1HB TRP 100 -16.803 5.384 -4.714 773 HB3 TRP 100 2HB TRP 100 -18.365 4.834 -5.218 774 HD1 TRP 100 HD TRP 100 -19.874 3.900 -3.378 775 HE1 TRP 100 1HE TRP 100 -19.574 3.100 -0.966 776 HE3 TRP 100 3HE TRP 100 -14.752 3.994 -3.092 777 HZ2 TRP 100 2HZ TRP 100 -17.415 2.488 0.827 778 HZ3 TRP 100 3HZ TRP 100 -13.625 3.462 -0.966 779 HH2 TRP 100 HH TRP 100 -14.977 2.663 1.024 780 H GLU 101 H GLU 101 -16.781 0.965 -5.263 781 HA GLU 101 HA GLU 101 -19.307 0.535 -6.778 782 HB2 GLU 101 1HB GLU 101 -16.924 -1.350 -6.292 783 HB3 GLU 101 2HB GLU 101 -18.420 -1.881 -7.045 784 HG2 GLU 101 1HG GLU 101 -16.494 0.191 -8.148 785 HG3 GLU 101 2HG GLU 101 -16.619 -1.507 -8.630 786 H GLY 102 H GLY 102 -20.832 0.667 -5.233 787 HA2 GLY 102 2HA GLY 102 -22.197 -0.924 -3.891 788 HA3 GLY 102 1HA GLY 102 -20.724 -1.284 -2.974 789 H ASP 103 H ASP 103 -22.545 -0.555 -1.375 790 HA ASP 103 HA ASP 103 -23.053 2.239 -0.994 791 HB2 ASP 103 1HB ASP 103 -24.181 0.011 -0.052 792 HB3 ASP 103 2HB ASP 103 -23.113 0.309 1.301 793 H GLY 104 H GLY 104 -22.377 3.256 1.245 794 HA2 GLY 104 2HA GLY 104 -20.826 3.578 2.966 795 HA3 GLY 104 1HA GLY 104 -19.679 2.486 2.185 796 H ASP 105 H ASP 105 -21.370 5.236 0.814 797 HA ASP 105 HA ASP 105 -19.109 6.096 -0.646 798 HB2 ASP 105 1HB ASP 105 -20.950 5.569 -1.870 799 HB3 ASP 105 2HB ASP 105 -22.079 6.333 -0.774 800 HA PRO 106 HA PRO 106 -18.770 8.930 2.829 801 HB2 PRO 106 1HB PRO 106 -16.175 9.589 2.692 802 HB3 PRO 106 2HB PRO 106 -16.724 7.922 3.055 803 HG2 PRO 106 1HG PRO 106 -15.851 9.042 0.378 804 HG3 PRO 106 2HG PRO 106 -15.342 7.521 1.177 805 HD2 PRO 106 1HD PRO 106 -17.326 7.643 -0.712 806 HD3 PRO 106 2HD PRO 106 -17.286 6.436 0.597 807 H GLY 107 H GLY 107 -17.919 10.017 -0.498 808 HA2 GLY 107 2HA GLY 107 -18.605 12.466 -0.979 809 HA3 GLY 107 1HA GLY 107 -17.501 12.790 0.365 810 H ASP 108 H ASP 108 -16.161 13.912 -1.357 811 HA ASP 108 HA ASP 108 -15.341 12.613 -3.712 812 HB2 ASP 108 1HB ASP 108 -13.899 14.871 -2.265 813 HB3 ASP 108 2HB ASP 108 -13.503 14.299 -3.853 814 H SER 109 H SER 109 -14.003 12.161 -0.493 815 HA SER 109 HA SER 109 -11.794 10.615 -1.626 816 HB2 SER 109 1HB SER 109 -10.548 11.757 0.499 817 HB3 SER 109 2HB SER 109 -10.371 12.300 -1.166 818 HG SER 109 HG SER 109 -12.272 13.359 0.703 819 H VAL 110 H VAL 110 -10.677 9.094 0.315 820 HA VAL 110 HA VAL 110 -12.912 8.752 2.279 821 HB VAL 110 HB VAL 110 -13.321 7.288 0.466 822 HG11 VAL 110 1HG1 VAL 110 -12.072 5.283 -0.040 823 HG12 VAL 110 2HG1 VAL 110 -11.202 6.743 -0.514 824 HG13 VAL 110 3HG1 VAL 110 -10.734 5.820 0.971 825 HG21 VAL 110 3HG2 VAL 110 -12.410 5.721 2.915 826 HG22 VAL 110 1HG2 VAL 110 -13.933 6.676 2.789 827 HG23 VAL 110 2HG2 VAL 110 -13.651 5.262 1.745 828 H GLN 111 H GLN 111 -12.400 7.753 4.164 829 HA GLN 111 HA GLN 111 -9.605 8.230 4.964 830 HB2 GLN 111 1HB GLN 111 -11.450 9.439 6.104 831 HB3 GLN 111 2HB GLN 111 -12.020 7.906 6.780 832 HG2 GLN 111 1HG GLN 111 -9.104 8.595 7.088 833 HG3 GLN 111 2HG GLN 111 -10.226 9.644 7.931 834 HE21 GLN 111 1HE2 GLN 111 -9.687 6.007 7.572 835 HE22 GLN 111 2HE2 GLN 111 -10.017 5.726 9.258 836 H CYS 112 H CYS 112 -8.967 6.485 3.808 837 HA CYS 112 HA CYS 112 -10.013 3.809 4.601 838 HB2 CYS 112 1HB CYS 112 -8.927 2.887 2.817 839 HB3 CYS 112 2HB CYS 112 -9.247 4.497 2.194 840 HG CYS 112 HG CYS 112 -7.061 4.479 1.248 841 H PHE 113 H PHE 113 -7.739 2.266 4.641 842 HA PHE 113 HA PHE 113 -5.829 3.576 6.456 843 HB2 PHE 113 1HB PHE 113 -6.581 0.645 6.646 844 HB3 PHE 113 2HB PHE 113 -5.454 1.491 7.636 845 HD1 PHE 113 1HD PHE 113 -6.326 3.354 9.212 846 HD2 PHE 113 2HD PHE 113 -8.946 0.764 6.991 847 HE1 PHE 113 1HE PHE 113 -8.255 4.192 10.528 848 HE2 PHE 113 2HE PHE 113 -10.896 1.682 8.220 849 HZ PHE 113 HZ PHE 113 -10.554 3.379 10.013 850 H VAL 114 H VAL 114 -3.783 3.428 5.838 851 HA VAL 114 HA VAL 114 -2.917 1.502 3.760 852 HB VAL 114 HB VAL 114 -2.257 4.526 3.858 853 HG11 VAL 114 1HG1 VAL 114 -1.132 2.338 1.932 854 HG12 VAL 114 2HG1 VAL 114 -0.702 4.052 1.957 855 HG13 VAL 114 3HG1 VAL 114 -0.176 2.959 3.246 856 HG21 VAL 114 3HG2 VAL 114 -3.184 4.761 1.840 857 HG22 VAL 114 1HG2 VAL 114 -3.129 3.018 1.430 858 HG23 VAL 114 2HG2 VAL 114 -4.311 3.614 2.594 859 H TYR 115 H TYR 115 -0.716 0.786 4.193 860 HA TYR 115 HA TYR 115 -0.030 0.893 7.056 861 HB2 TYR 115 1HB TYR 115 0.971 -0.743 4.746 862 HB3 TYR 115 2HB TYR 115 1.776 -0.729 6.288 863 HD1 TYR 115 2HD TYR 115 0.596 -1.560 8.375 864 HD2 TYR 115 1HD TYR 115 -1.131 -1.944 4.422 865 HE1 TYR 115 2HE TYR 115 -0.997 -3.247 9.221 866 HE2 TYR 115 1HE TYR 115 -2.722 -3.623 5.287 867 HH TYR 115 HH TYR 115 -2.482 -4.943 8.565 868 H THR 116 H THR 116 0.952 2.813 7.717 869 HA THR 116 HA THR 116 3.007 4.122 6.089 870 HB THR 116 HB THR 116 3.003 5.718 7.992 871 HG1 THR 116 1HG THR 116 1.080 5.141 9.489 872 HG21 THR 116 3HG2 THR 116 0.217 5.128 7.124 873 HG22 THR 116 1HG2 THR 116 1.415 6.211 6.310 874 HG23 THR 116 2HG2 THR 116 0.786 6.587 7.906 875 H THR 117 H THR 117 5.030 4.744 7.395 876 HA THR 117 HA THR 117 5.397 3.206 9.850 877 HB THR 117 HB THR 117 6.928 2.028 8.495 878 HG1 THR 117 1HG THR 117 8.622 2.325 9.702 879 HG21 THR 117 3HG2 THR 117 8.049 4.666 7.435 880 HG22 THR 117 1HG2 THR 117 7.087 3.491 6.514 881 HG23 THR 117 2HG2 THR 117 8.678 3.032 7.087 882 H ALA 118 H ALA 118 6.198 4.535 11.501 883 HA ALA 118 HA ALA 118 6.497 7.433 10.854 884 HB1 ALA 118 1HB ALA 118 4.409 6.852 12.099 885 HB2 ALA 118 2HB ALA 118 5.430 6.188 13.401 886 HB3 ALA 118 3HB ALA 118 5.510 7.911 12.997 887 H THR 119 H THR 119 8.345 4.781 11.505 888 HA THR 119 HA THR 119 10.240 6.316 13.208 889 HB THR 119 HB THR 119 8.971 4.666 14.452 890 HG1 THR 119 1HG THR 119 10.638 4.043 15.531 891 HG21 THR 119 3HG2 THR 119 9.267 2.279 14.211 892 HG22 THR 119 1HG2 THR 119 10.326 2.495 12.817 893 HG23 THR 119 2HG2 THR 119 8.614 2.930 12.696 894 H TYR 120 H TYR 120 10.457 6.769 10.651 895 HA TYR 120 HA TYR 120 12.127 4.802 9.273 896 HB2 TYR 120 1HB TYR 120 12.025 6.638 7.491 897 HB3 TYR 120 2HB TYR 120 10.535 5.815 7.941 898 HD1 TYR 120 1HD TYR 120 12.437 8.985 8.318 899 HD2 TYR 120 2HD TYR 120 8.658 7.002 8.970 900 HE1 TYR 120 1HE TYR 120 11.412 11.136 8.937 901 HE2 TYR 120 2HE TYR 120 7.619 9.176 9.574 902 HH TYR 120 HH TYR 120 8.342 11.549 10.360 903 H ALA 121 H ALA 121 14.183 5.218 8.468 904 HA ALA 121 HA ALA 121 16.050 6.488 10.206 905 HB1 ALA 121 1HB ALA 121 16.561 4.534 8.757 906 HB2 ALA 121 2HB ALA 121 16.301 5.534 7.308 907 HB3 ALA 121 3HB ALA 121 17.657 5.877 8.397 908 HA PRO 122 HA PRO 122 16.045 10.659 8.749 909 HB2 PRO 122 1HB PRO 122 18.796 11.245 8.520 910 HB3 PRO 122 2HB PRO 122 17.810 11.376 9.996 911 HG2 PRO 122 1HG PRO 122 19.650 9.173 9.164 912 HG3 PRO 122 2HG PRO 122 19.302 9.778 10.801 913 HD2 PRO 122 1HD PRO 122 18.266 7.461 9.800 914 HD3 PRO 122 2HD PRO 122 17.366 8.474 10.962 915 H GLU 123 H GLU 123 18.522 8.736 6.943 916 HA GLU 123 HA GLU 123 18.693 10.246 4.645 917 HB2 GLU 123 1HB GLU 123 19.157 8.013 3.524 918 HB3 GLU 123 2HB GLU 123 20.186 8.450 4.880 919 HG2 GLU 123 1HG GLU 123 17.775 6.818 5.600 920 HG3 GLU 123 2HG GLU 123 18.948 6.023 4.546 921 H TRP 124 H TRP 124 15.951 8.171 5.516 922 HA TRP 124 HA TRP 124 15.087 7.894 2.774 923 HB2 TRP 124 1HB TRP 124 13.678 7.347 5.406 924 HB3 TRP 124 2HB TRP 124 13.008 6.976 3.827 925 HD1 TRP 124 HD TRP 124 16.569 6.121 3.552 926 HE1 TRP 124 1HE TRP 124 16.947 3.620 3.787 927 HE3 TRP 124 3HE TRP 124 12.000 4.802 5.445 928 HZ2 TRP 124 2HZ TRP 124 15.516 1.327 4.862 929 HZ3 TRP 124 3HZ TRP 124 11.518 2.433 5.990 930 HH2 TRP 124 HH TRP 124 13.278 0.690 5.703 931 H LEU 125 H LEU 125 14.890 10.497 4.996 932 HA LEU 125 HA LEU 125 12.510 11.756 3.859 933 HB2 LEU 125 1HB LEU 125 14.873 12.802 5.471 934 HB3 LEU 125 2HB LEU 125 13.552 13.827 4.953 935 HG LEU 125 HG LEU 125 13.121 11.356 6.688 936 HD11 LEU 125 1HD1 LEU 125 14.584 12.925 7.854 937 HD12 LEU 125 2HD1 LEU 125 12.978 12.934 8.587 938 HD13 LEU 125 3HD1 LEU 125 13.472 14.273 7.520 939 HD21 LEU 125 3HD2 LEU 125 11.367 13.784 6.018 940 HD22 LEU 125 1HD2 LEU 125 10.973 12.505 7.191 941 HD23 LEU 125 2HD2 LEU 125 11.101 12.107 5.494 942 H PHE 126 H PHE 126 15.840 11.342 2.796 943 HA PHE 126 HA PHE 126 15.824 13.886 1.306 944 HB2 PHE 126 1HB PHE 126 17.976 11.767 1.422 945 HB3 PHE 126 2HB PHE 126 18.166 13.446 0.981 946 HD1 PHE 126 1HD PHE 126 16.272 14.185 3.683 947 HD2 PHE 126 2HD PHE 126 19.953 12.091 2.853 948 HE1 PHE 126 1HE PHE 126 16.885 14.299 6.068 949 HE2 PHE 126 2HE PHE 126 20.608 12.338 5.241 950 HZ PHE 126 HZ PHE 126 19.059 13.388 6.843 951 H LEU 127 H LEU 127 15.336 10.514 0.762 952 HA LEU 127 HA LEU 127 16.217 10.166 -1.880 953 HB2 LEU 127 1HB LEU 127 13.958 8.792 -0.353 954 HB3 LEU 127 2HB LEU 127 14.656 8.165 -1.831 955 HG LEU 127 HG LEU 127 16.058 8.482 0.847 956 HD11 LEU 127 1HD1 LEU 127 16.195 6.021 0.775 957 HD12 LEU 127 2HD1 LEU 127 15.323 6.007 -0.778 958 HD13 LEU 127 3HD1 LEU 127 14.517 6.574 0.700 959 HD21 LEU 127 3HD2 LEU 127 17.199 7.502 -1.797 960 HD22 LEU 127 1HD2 LEU 127 17.994 7.341 -0.194 961 HD23 LEU 127 2HD2 LEU 127 17.720 8.938 -0.860 962 HA PRO 128 HA PRO 128 13.140 12.022 -4.456 963 HB2 PRO 128 1HB PRO 128 12.912 10.330 -6.590 964 HB3 PRO 128 2HB PRO 128 14.345 11.368 -6.302 965 HG2 PRO 128 1HG PRO 128 13.985 8.448 -5.565 966 HG3 PRO 128 2HG PRO 128 15.366 9.229 -6.398 967 HD2 PRO 128 1HD PRO 128 15.431 8.715 -3.748 968 HD3 PRO 128 2HD PRO 128 16.151 10.203 -4.417 969 H TYR 129 H TYR 129 10.920 11.883 -4.928 970 HA TYR 129 HA TYR 129 9.474 9.674 -3.564 971 HB2 TYR 129 1HB TYR 129 8.667 12.516 -4.240 972 HB3 TYR 129 2HB TYR 129 7.627 11.357 -3.433 973 HD1 TYR 129 1HD TYR 129 9.390 10.076 -1.462 974 HD2 TYR 129 2HD TYR 129 9.155 14.195 -2.682 975 HE1 TYR 129 1HE TYR 129 10.473 10.770 0.653 976 HE2 TYR 129 2HE TYR 129 10.132 14.903 -0.554 977 HH TYR 129 HH TYR 129 11.763 12.765 1.480 978 H HIS 130 H HIS 130 7.352 9.091 -4.427 979 HA HIS 130 HA HIS 130 7.240 9.155 -7.402 980 HB2 HIS 130 1HB HIS 130 7.118 6.677 -5.650 981 HB3 HIS 130 2HB HIS 130 6.908 6.719 -7.400 982 HD1 HIS 130 1HD HIS 130 9.259 7.496 -8.815 983 HD2 HIS 130 2HD HIS 130 9.546 6.574 -4.705 984 HE1 HIS 130 1HE HIS 130 11.733 7.486 -8.248 985 H GLU 131 H GLU 131 5.317 8.975 -8.351 986 HA GLU 131 HA GLU 131 2.924 9.458 -6.688 987 HB2 GLU 131 1HB GLU 131 3.784 9.846 -9.548 988 HB3 GLU 131 2HB GLU 131 2.044 9.719 -9.205 989 HG2 GLU 131 1HG GLU 131 2.209 11.529 -7.590 990 HG3 GLU 131 2HG GLU 131 3.947 11.706 -7.965 991 H SER 132 H SER 132 4.453 6.820 -8.292 992 HA SER 132 HA SER 132 2.346 5.059 -7.553 993 HB2 SER 132 1HB SER 132 1.929 4.105 -9.843 994 HB3 SER 132 2HB SER 132 1.294 5.735 -9.665 995 HG SER 132 HG SER 132 3.034 6.545 -10.806 996 H TYR 133 H TYR 133 2.843 2.835 -8.424 997 HA TYR 133 HA TYR 133 5.683 2.234 -8.474 998 HB2 TYR 133 1HB TYR 133 5.116 0.477 -6.608 999 HB3 TYR 133 2HB TYR 133 5.518 2.148 -6.239 1000 HD1 TYR 133 1HD TYR 133 2.091 0.898 -7.143 1001 HD2 TYR 133 2HD TYR 133 4.769 2.269 -4.106 1002 HE1 TYR 133 1HE TYR 133 0.136 1.407 -5.714 1003 HE2 TYR 133 2HE TYR 133 2.841 2.701 -2.586 1004 HH TYR 133 HH TYR 133 -0.568 2.128 -3.585 1005 H ASP 134 H ASP 134 6.044 0.283 -9.321 1006 HA ASP 134 HA ASP 134 4.016 -1.654 -9.932 1007 HB2 ASP 134 1HB ASP 134 3.819 -0.006 -11.887 1008 HB3 ASP 134 2HB ASP 134 5.470 -0.491 -12.335 1009 H SER 135 H SER 135 5.128 -3.389 -9.276 1010 HA SER 135 HA SER 135 8.088 -3.410 -9.358 1011 HB2 SER 135 1HB SER 135 6.342 -4.494 -7.547 1012 HB3 SER 135 2HB SER 135 6.740 -5.906 -8.543 1013 HG SER 135 HG SER 135 8.369 -4.299 -6.889 1014 H GLU 136 H GLU 136 5.651 -3.989 -11.653 1015 HA GLU 136 HA GLU 136 7.655 -5.407 -13.311 1016 HB2 GLU 136 1HB GLU 136 4.614 -5.495 -13.288 1017 HB3 GLU 136 2HB GLU 136 5.539 -5.997 -14.676 1018 HG2 GLU 136 1HG GLU 136 5.753 -7.252 -11.915 1019 HG3 GLU 136 2HG GLU 136 4.915 -7.917 -13.308 1020 H GLY 137 H GLY 137 7.922 -2.774 -12.662 1021 HA2 GLY 137 2HA GLY 137 7.203 -1.427 -15.228 1022 HA3 GLY 137 1HA GLY 137 7.571 -0.571 -13.724 1023 HA PRO 138 HA PRO 138 11.547 -1.709 -16.198 1024 HB2 PRO 138 1HB PRO 138 11.975 0.488 -17.756 1025 HB3 PRO 138 2HB PRO 138 11.010 -0.922 -18.266 1026 HG2 PRO 138 1HG PRO 138 10.010 1.672 -17.070 1027 HG3 PRO 138 2HG PRO 138 9.415 0.836 -18.543 1028 HD2 PRO 138 1HD PRO 138 8.178 0.556 -16.137 1029 HD3 PRO 138 2HD PRO 138 8.338 -0.830 -17.259 1030 H HIS 139 H HIS 139 10.607 0.231 -13.735 1031 HA HIS 139 HA HIS 139 12.610 2.175 -13.445 1032 HB2 HIS 139 1HB HIS 139 11.294 0.633 -11.198 1033 HB3 HIS 139 2HB HIS 139 11.953 2.267 -11.132 1034 HD1 HIS 139 1HD HIS 139 10.357 4.202 -12.570 1035 HD2 HIS 139 2HD HIS 139 8.784 0.372 -11.651 1036 HE1 HIS 139 1HE HIS 139 7.863 4.366 -12.820 1037 H GLY 140 H GLY 140 13.062 -1.237 -13.322 1038 HA2 GLY 140 2HA GLY 140 15.072 -2.377 -13.072 1039 HA3 GLY 140 1HA GLY 140 15.821 -0.936 -12.374 1040 H LEU 141 H LEU 141 14.264 -0.330 -10.256 1041 HA LEU 141 HA LEU 141 14.966 -2.370 -8.348 1042 HB2 LEU 141 1HB LEU 141 13.694 -0.717 -6.751 1043 HB3 LEU 141 2HB LEU 141 15.312 -0.415 -7.366 1044 HG LEU 141 HG LEU 141 14.331 1.134 -9.087 1045 HD11 LEU 141 1HD1 LEU 141 11.798 0.818 -7.423 1046 HD12 LEU 141 2HD1 LEU 141 11.999 0.285 -9.094 1047 HD13 LEU 141 3HD1 LEU 141 12.059 2.010 -8.706 1048 HD21 LEU 141 3HD2 LEU 141 14.013 2.964 -7.498 1049 HD22 LEU 141 1HD2 LEU 141 15.359 1.939 -7.018 1050 HD23 LEU 141 2HD2 LEU 141 13.811 1.798 -6.168 1051 H ARG 142 H ARG 142 13.750 -4.141 -9.195 1052 HA ARG 142 HA ARG 142 10.864 -4.088 -8.445 1053 HB2 ARG 142 1HB ARG 142 12.492 -6.205 -9.958 1054 HB3 ARG 142 2HB ARG 142 10.783 -6.336 -9.555 1055 HG2 ARG 142 1HG ARG 142 10.735 -5.701 -11.763 1056 HG3 ARG 142 2HG ARG 142 10.416 -4.181 -10.892 1057 HD2 ARG 142 1HD ARG 142 12.492 -3.296 -11.399 1058 HD3 ARG 142 2HD ARG 142 13.215 -4.867 -11.778 1059 HE ARG 142 HE ARG 142 11.390 -3.230 -13.462 1060 HH11 ARG 142 1HH1 ARG 142 13.067 -6.372 -13.133 1061 HH12 ARG 142 2HH1 ARG 142 12.939 -6.735 -14.792 1062 HH21 ARG 142 1HH2 ARG 142 11.242 -3.816 -15.706 1063 HH22 ARG 142 2HH2 ARG 142 12.083 -5.179 -16.318 1064 H TYR 143 H TYR 143 9.991 -5.866 -7.241 1065 HA TYR 143 HA TYR 143 11.226 -6.130 -4.748 1066 HB2 TYR 143 1HB TYR 143 8.789 -6.247 -5.172 1067 HB3 TYR 143 2HB TYR 143 8.998 -7.755 -6.042 1068 HD1 TYR 143 2HD TYR 143 10.082 -6.327 -2.684 1069 HD2 TYR 143 1HD TYR 143 8.310 -9.661 -4.828 1070 HE1 TYR 143 2HE TYR 143 10.031 -7.645 -0.618 1071 HE2 TYR 143 1HE TYR 143 8.124 -10.909 -2.681 1072 HH TYR 143 HH TYR 143 9.935 -9.838 0.141 1073 H ASN 144 H ASN 144 11.943 -8.016 -3.630 1074 HA ASN 144 HA ASN 144 13.234 -10.126 -5.308 1075 HB2 ASN 144 1HB ASN 144 14.221 -8.488 -3.018 1076 HB3 ASN 144 2HB ASN 144 14.575 -10.206 -2.910 1077 HD21 ASN 144 1HD2 ASN 144 16.533 -8.083 -3.250 1078 HD22 ASN 144 2HD2 ASN 144 17.419 -8.676 -4.614 1079 HA PRO 145 HA PRO 145 10.031 -12.235 -2.769 1080 HB2 PRO 145 1HB PRO 145 9.052 -13.894 -4.693 1081 HB3 PRO 145 2HB PRO 145 8.612 -12.157 -4.624 1082 HG2 PRO 145 1HG PRO 145 10.764 -13.424 -6.371 1083 HG3 PRO 145 2HG PRO 145 9.452 -12.329 -6.864 1084 HD2 PRO 145 1HD PRO 145 11.975 -11.470 -6.291 1085 HD3 PRO 145 2HD PRO 145 10.521 -10.490 -5.896 1086 H ARG 146 H ARG 146 12.173 -13.779 -5.197 1087 HA ARG 146 HA ARG 146 12.889 -15.847 -3.244 1088 HB2 ARG 146 1HB ARG 146 11.304 -16.600 -4.273 1089 HB3 ARG 146 2HB ARG 146 12.080 -16.404 -5.899 1090 HG2 ARG 146 1HG ARG 146 11.863 -18.684 -4.831 1091 HG3 ARG 146 2HG ARG 146 13.394 -18.279 -5.515 1092 HD2 ARG 146 1HD ARG 146 14.330 -17.932 -3.238 1093 HD3 ARG 146 2HD ARG 146 12.707 -18.011 -2.542 1094 HE ARG 146 HE ARG 146 12.684 -20.428 -3.385 1095 HH11 ARG 146 1HH1 ARG 146 15.881 -19.000 -2.745 1096 HH12 ARG 146 2HH1 ARG 146 16.414 -20.262 -1.740 1097 HH21 ARG 146 1HH2 ARG 146 13.454 -22.203 -2.041 1098 HH22 ARG 146 2HH2 ARG 146 15.083 -22.141 -1.441 1099 H GLU 147 H GLU 147 13.930 -13.489 -4.961 1100 HA GLU 147 HA GLU 147 15.258 -12.692 -6.238 1101 HB2 GLU 147 1HB GLU 147 17.383 -14.235 -4.793 1102 HB3 GLU 147 2HB GLU 147 17.407 -12.548 -5.380 1103 HG2 GLU 147 1HG GLU 147 15.463 -12.170 -3.755 1104 HG3 GLU 147 2HG GLU 147 15.884 -13.714 -3.017 1105 H ASN 148 H ASN 148 14.710 -15.690 -6.796 1106 HA ASN 148 HA ASN 148 16.385 -16.246 -9.187 1107 HB2 ASN 148 1HB ASN 148 16.217 -17.943 -6.638 1108 HB3 ASN 148 2HB ASN 148 17.029 -18.410 -8.115 1109 HD21 ASN 148 1HD2 ASN 148 17.390 -16.635 -5.175 1110 HD22 ASN 148 2HD2 ASN 148 19.010 -16.043 -5.508 1111 H ARG 149 H ARG 149 13.306 -15.977 -8.452 1112 HA ARG 149 HA ARG 149 12.313 -18.734 -8.863 1113 HB2 ARG 149 1HB ARG 149 11.140 -16.292 -7.821 1114 HB3 ARG 149 2HB ARG 149 10.175 -16.935 -9.136 1115 HG2 ARG 149 1HG ARG 149 9.690 -18.948 -8.095 1116 HG3 ARG 149 2HG ARG 149 11.127 -18.925 -7.071 1117 HD2 ARG 149 1HD ARG 149 8.980 -18.530 -5.830 1118 HD3 ARG 149 2HD ARG 149 10.268 -17.328 -5.614 1119 HE ARG 149 HE ARG 149 9.072 -15.892 -7.268 1120 HH11 ARG 149 1HH1 ARG 149 6.980 -18.573 -6.094 1121 HH12 ARG 149 2HH1 ARG 149 5.544 -17.712 -6.565 1122 HH21 ARG 149 1HH2 ARG 149 7.312 -15.048 -8.061 1123 HH22 ARG 149 2HH2 ARG 149 5.708 -15.672 -7.786 Start of MODEL 16 1 H1 MET 1 H MET 1 -16.435 -3.620 9.573 2 HA MET 1 HA MET 1 -16.069 -3.535 6.648 3 HB2 MET 1 1HB MET 1 -17.899 -1.766 8.343 4 HB3 MET 1 2HB MET 1 -17.664 -1.683 6.589 5 HG2 MET 1 1HG MET 1 -18.370 -4.193 6.649 6 HG3 MET 1 2HG MET 1 -19.040 -3.826 8.227 7 HE1 MET 1 3HE MET 1 -21.673 -4.280 5.107 8 HE2 MET 1 1HE MET 1 -19.996 -4.804 5.089 9 HE3 MET 1 2HE MET 1 -20.987 -5.123 6.520 10 H ALA 2 H ALA 2 -14.000 -2.705 6.278 11 HA ALA 2 HA ALA 2 -13.080 -0.340 7.695 12 HB1 ALA 2 1HB ALA 2 -11.766 -3.055 8.159 13 HB2 ALA 2 2HB ALA 2 -11.022 -1.490 8.520 14 HB3 ALA 2 3HB ALA 2 -12.492 -2.000 9.399 15 H HIS 3 H HIS 3 -13.204 0.295 5.501 16 HA HIS 3 HA HIS 3 -12.118 -1.007 3.301 17 HB2 HIS 3 1HB HIS 3 -12.551 1.955 3.870 18 HB3 HIS 3 2HB HIS 3 -12.206 1.300 2.264 19 HD1 HIS 3 1HD HIS 3 -15.100 2.347 4.153 20 HD2 HIS 3 2HD HIS 3 -14.027 -0.685 1.482 21 HE1 HIS 3 1HE HIS 3 -17.300 1.377 3.268 22 H ILE 4 H ILE 4 -10.011 -0.963 2.379 23 HA ILE 4 HA ILE 4 -7.919 0.668 3.719 24 HB ILE 4 HB ILE 4 -6.373 -1.135 3.512 25 HG12 ILE 4 1HG1 ILE 4 -8.619 -2.984 2.604 26 HG13 ILE 4 2HG1 ILE 4 -7.496 -2.243 1.467 27 HG21 ILE 4 1HG2 ILE 4 -8.899 -2.202 4.846 28 HG22 ILE 4 2HG2 ILE 4 -7.219 -2.510 5.316 29 HG23 ILE 4 3HG2 ILE 4 -7.922 -0.912 5.522 30 HD11 ILE 4 3HD1 ILE 4 -6.708 -4.099 3.748 31 HD12 ILE 4 1HD1 ILE 4 -6.759 -4.486 2.026 32 HD13 ILE 4 2HD1 ILE 4 -5.584 -3.294 2.622 33 H PHE 5 H PHE 5 -5.917 0.901 2.205 34 HA PHE 5 HA PHE 5 -6.732 0.976 -0.656 35 HB2 PHE 5 1HB PHE 5 -7.038 3.190 0.328 36 HB3 PHE 5 2HB PHE 5 -5.390 3.182 0.937 37 HD1 PHE 5 1HD PHE 5 -7.516 3.278 -2.098 38 HD2 PHE 5 2HD PHE 5 -3.491 3.647 -0.585 39 HE1 PHE 5 1HE PHE 5 -6.806 4.350 -4.214 40 HE2 PHE 5 2HE PHE 5 -2.790 4.708 -2.693 41 HZ PHE 5 HZ PHE 5 -4.446 5.143 -4.472 42 H VAL 6 H VAL 6 -5.210 0.357 -2.030 43 HA VAL 6 HA VAL 6 -3.084 -1.201 -0.929 44 HB VAL 6 HB VAL 6 -2.663 -1.897 -3.247 45 HG11 VAL 6 1HG1 VAL 6 -4.855 -2.965 -3.543 46 HG12 VAL 6 2HG1 VAL 6 -4.406 -2.939 -1.826 47 HG13 VAL 6 3HG1 VAL 6 -5.587 -1.782 -2.452 48 HG21 VAL 6 3HG2 VAL 6 -4.293 0.484 -3.954 49 HG22 VAL 6 1HG2 VAL 6 -3.137 -0.445 -4.919 50 HG23 VAL 6 2HG2 VAL 6 -4.804 -1.007 -4.765 51 H TYR 7 H TYR 7 -1.163 -0.339 -0.246 52 HA TYR 7 HA TYR 7 -0.076 2.148 -1.128 53 HB2 TYR 7 1HB TYR 7 1.908 1.493 0.158 54 HB3 TYR 7 2HB TYR 7 0.441 1.251 1.064 55 HD1 TYR 7 2HD TYR 7 -0.461 -1.037 1.541 56 HD2 TYR 7 1HD TYR 7 3.333 -0.379 -0.428 57 HE1 TYR 7 2HE TYR 7 0.069 -3.438 1.765 58 HE2 TYR 7 1HE TYR 7 3.876 -2.777 -0.185 59 HH TYR 7 HH TYR 7 2.163 -5.139 1.490 60 H GLY 8 H GLY 8 -0.260 -0.672 -2.922 61 HA2 GLY 8 2HA GLY 8 0.592 0.091 -5.218 62 HA3 GLY 8 1HA GLY 8 2.188 -0.076 -4.522 63 H THR 9 H THR 9 0.476 -2.676 -3.119 64 HA THR 9 HA THR 9 1.956 -4.355 -4.959 65 HB THR 9 HB THR 9 1.726 -5.795 -2.768 66 HG1 THR 9 1HG THR 9 1.619 -4.253 -0.997 67 HG21 THR 9 3HG2 THR 9 3.849 -4.829 -3.544 68 HG22 THR 9 1HG2 THR 9 3.659 -4.567 -1.812 69 HG23 THR 9 2HG2 THR 9 3.371 -3.229 -2.939 70 H LEU 10 H LEU 10 -1.396 -3.884 -4.100 71 HA LEU 10 HA LEU 10 -2.105 -6.545 -5.175 72 HB2 LEU 10 1HB LEU 10 -3.819 -4.834 -3.371 73 HB3 LEU 10 2HB LEU 10 -3.992 -6.514 -3.770 74 HG LEU 10 HG LEU 10 -3.359 -6.419 -1.567 75 HD11 LEU 10 1HD1 LEU 10 -2.215 -8.140 -2.852 76 HD12 LEU 10 2HD1 LEU 10 -1.376 -7.703 -1.372 77 HD13 LEU 10 3HD1 LEU 10 -0.767 -7.109 -2.928 78 HD21 LEU 10 3HD2 LEU 10 -2.693 -4.272 -1.159 79 HD22 LEU 10 1HD2 LEU 10 -1.241 -4.412 -2.128 80 HD23 LEU 10 2HD2 LEU 10 -1.387 -5.328 -0.617 81 H LYS 11 H LYS 11 -1.643 -4.231 -6.930 82 HA LYS 11 HA LYS 11 -4.368 -3.976 -8.089 83 HB2 LYS 11 1HB LYS 11 -4.090 -2.068 -6.745 84 HB3 LYS 11 2HB LYS 11 -2.530 -1.659 -7.400 85 HG2 LYS 11 1HG LYS 11 -4.886 -1.793 -9.283 86 HG3 LYS 11 2HG LYS 11 -4.838 -0.492 -8.084 87 HD2 LYS 11 1HD LYS 11 -2.401 -0.094 -9.004 88 HD3 LYS 11 2HD LYS 11 -3.012 -0.937 -10.438 89 HE2 LYS 11 1HE LYS 11 -4.280 1.529 -9.141 90 HE3 LYS 11 2HE LYS 11 -3.153 1.567 -10.494 91 HZ1 LYS 11 3HZ LYS 11 -4.712 0.272 -11.771 92 HZ2 LYS 11 1HZ LYS 11 -5.287 1.731 -11.343 93 HZ3 LYS 11 2HZ LYS 11 -5.843 0.358 -10.572 94 H ARG 12 H ARG 12 -1.256 -2.531 -9.139 95 HA ARG 12 HA ARG 12 -1.643 -3.025 -11.847 96 HB2 ARG 12 1HB ARG 12 0.940 -2.770 -10.246 97 HB3 ARG 12 2HB ARG 12 0.924 -2.839 -11.998 98 HG2 ARG 12 1HG ARG 12 -0.596 -0.713 -10.454 99 HG3 ARG 12 2HG ARG 12 1.103 -0.577 -10.889 100 HD2 ARG 12 1HD ARG 12 -0.167 -1.304 -13.309 101 HD3 ARG 12 2HD ARG 12 -1.281 -0.191 -12.535 102 HE ARG 12 HE ARG 12 1.528 0.299 -13.333 103 HH11 ARG 12 1HH1 ARG 12 -1.626 1.699 -12.705 104 HH12 ARG 12 2HH1 ARG 12 -1.070 3.310 -12.401 105 HH21 ARG 12 1HH2 ARG 12 2.364 2.441 -12.996 106 HH22 ARG 12 2HH2 ARG 12 1.250 3.746 -13.065 107 H GLY 13 H GLY 13 1.001 -4.765 -10.242 108 HA2 GLY 13 2HA GLY 13 0.387 -7.358 -11.466 109 HA3 GLY 13 1HA GLY 13 1.607 -6.304 -12.231 110 H GLN 14 H GLN 14 1.381 -5.874 -8.851 111 HA GLN 14 HA GLN 14 4.104 -6.785 -8.447 112 HB2 GLN 14 1HB GLN 14 2.029 -5.289 -6.947 113 HB3 GLN 14 2HB GLN 14 2.923 -6.426 -5.945 114 HG2 GLN 14 1HG GLN 14 4.012 -4.297 -5.804 115 HG3 GLN 14 2HG GLN 14 5.063 -5.425 -6.638 116 HE21 GLN 14 1HE2 GLN 14 2.366 -3.211 -7.750 117 HE22 GLN 14 2HE2 GLN 14 3.437 -2.324 -8.798 118 HA PRO 15 HA PRO 15 3.212 -10.961 -7.870 119 HB2 PRO 15 1HB PRO 15 5.000 -11.739 -5.865 120 HB3 PRO 15 2HB PRO 15 5.485 -11.323 -7.555 121 HG2 PRO 15 1HG PRO 15 5.474 -9.673 -5.042 122 HG3 PRO 15 2HG PRO 15 6.779 -9.803 -6.268 123 HD2 PRO 15 1HD PRO 15 5.028 -7.705 -6.202 124 HD3 PRO 15 2HD PRO 15 5.621 -8.380 -7.752 125 H ASN 16 H ASN 16 2.680 -8.902 -5.238 126 HA ASN 16 HA ASN 16 1.734 -10.871 -3.343 127 HB2 ASN 16 1HB ASN 16 1.514 -7.840 -3.306 128 HB3 ASN 16 2HB ASN 16 1.281 -8.912 -1.929 129 HD21 ASN 16 1HD2 ASN 16 3.682 -7.313 -3.960 130 HD22 ASN 16 2HD2 ASN 16 5.059 -7.883 -3.071 131 H HIS 17 H HIS 17 0.163 -9.376 -6.068 132 HA HIS 17 HA HIS 17 -2.317 -8.627 -4.996 133 HB2 HIS 17 1HB HIS 17 -1.403 -8.431 -7.410 134 HB3 HIS 17 2HB HIS 17 -2.070 -10.038 -7.663 135 HD1 HIS 17 1HD HIS 17 -3.071 -6.970 -8.848 136 HD2 HIS 17 2HD HIS 17 -4.953 -9.723 -6.262 137 HE1 HIS 17 1HE HIS 17 -5.537 -6.443 -8.890 138 H LYS 18 H LYS 18 -1.137 -11.858 -5.832 139 HA LYS 18 HA LYS 18 -3.401 -13.367 -5.506 140 HB2 LYS 18 1HB LYS 18 -1.991 -15.243 -5.287 141 HB3 LYS 18 2HB LYS 18 -1.238 -14.100 -6.373 142 HG2 LYS 18 1HG LYS 18 0.567 -14.810 -5.151 143 HG3 LYS 18 2HG LYS 18 0.168 -13.328 -4.281 144 HD2 LYS 18 1HD LYS 18 -0.857 -14.576 -2.487 145 HD3 LYS 18 2HD LYS 18 -0.934 -16.038 -3.455 146 HE2 LYS 18 1HE LYS 18 0.819 -16.569 -2.081 147 HE3 LYS 18 2HE LYS 18 1.606 -16.013 -3.561 148 HZ1 LYS 18 3HZ LYS 18 1.382 -14.558 -1.005 149 HZ2 LYS 18 1HZ LYS 18 2.030 -13.876 -2.378 150 HZ3 LYS 18 2HZ LYS 18 2.709 -15.183 -1.656 151 H VAL 19 H VAL 19 -1.793 -11.762 -2.779 152 HA VAL 19 HA VAL 19 -2.691 -13.518 -0.743 153 HB VAL 19 HB VAL 19 -2.513 -11.629 0.781 154 HG11 VAL 19 1HG1 VAL 19 -0.492 -12.828 0.122 155 HG12 VAL 19 2HG1 VAL 19 -0.213 -11.672 -1.198 156 HG13 VAL 19 3HG1 VAL 19 -0.156 -11.132 0.487 157 HG21 VAL 19 3HG2 VAL 19 -1.721 -9.409 -0.019 158 HG22 VAL 19 1HG2 VAL 19 -2.472 -9.859 -1.578 159 HG23 VAL 19 2HG2 VAL 19 -3.440 -9.775 -0.106 160 H MET 20 H MET 20 -4.434 -10.791 -2.364 161 HA MET 20 HA MET 20 -6.709 -11.045 -0.653 162 HB2 MET 20 1HB MET 20 -6.956 -9.910 -3.353 163 HB3 MET 20 2HB MET 20 -7.636 -9.316 -1.878 164 HG2 MET 20 1HG MET 20 -4.650 -9.035 -2.264 165 HG3 MET 20 2HG MET 20 -5.720 -8.135 -3.309 166 HE1 MET 20 3HE MET 20 -7.317 -5.484 -1.285 167 HE2 MET 20 1HE MET 20 -6.437 -5.865 -2.787 168 HE3 MET 20 2HE MET 20 -7.831 -6.855 -2.303 169 H LEU 21 H LEU 21 -5.619 -13.153 -2.968 170 HA LEU 21 HA LEU 21 -8.307 -13.801 -4.034 171 HB2 LEU 21 1HB LEU 21 -5.674 -14.853 -5.076 172 HB3 LEU 21 2HB LEU 21 -7.239 -14.817 -5.876 173 HG LEU 21 HG LEU 21 -5.393 -12.456 -5.335 174 HD11 LEU 21 1HD1 LEU 21 -4.697 -13.980 -7.140 175 HD12 LEU 21 2HD1 LEU 21 -5.138 -12.378 -7.754 176 HD13 LEU 21 3HD1 LEU 21 -6.261 -13.744 -7.945 177 HD21 LEU 21 3HD2 LEU 21 -7.574 -11.507 -5.148 178 HD22 LEU 21 1HD2 LEU 21 -8.164 -12.405 -6.567 179 HD23 LEU 21 2HD2 LEU 21 -6.960 -11.095 -6.735 180 H ASP 22 H ASP 22 -6.697 -14.486 -1.304 181 HA ASP 22 HA ASP 22 -7.410 -17.353 -1.415 182 HB2 ASP 22 1HB ASP 22 -4.830 -16.766 -1.407 183 HB3 ASP 22 2HB ASP 22 -5.105 -16.451 0.318 184 H HIS 23 H HIS 23 -9.270 -17.383 -0.391 185 HA HIS 23 HA HIS 23 -9.957 -15.485 1.575 186 HB2 HIS 23 1HB HIS 23 -11.498 -16.756 0.071 187 HB3 HIS 23 2HB HIS 23 -11.205 -18.198 1.044 188 HD1 HIS 23 1HD HIS 23 -13.183 -18.445 2.791 189 HD2 HIS 23 2HD HIS 23 -12.078 -14.484 1.895 190 HE1 HIS 23 1HE HIS 23 -14.720 -16.951 4.161 191 H SER 24 H SER 24 -8.077 -18.370 1.919 192 HA SER 24 HA SER 24 -8.484 -18.748 4.783 193 HB2 SER 24 1HB SER 24 -6.647 -19.772 2.746 194 HB3 SER 24 2HB SER 24 -6.015 -19.732 4.392 195 HG SER 24 HG SER 24 -8.580 -20.804 3.864 196 H HIS 25 H HIS 25 -6.779 -16.351 2.849 197 HA HIS 25 HA HIS 25 -5.331 -15.354 5.239 198 HB2 HIS 25 1HB HIS 25 -5.269 -14.450 2.335 199 HB3 HIS 25 2HB HIS 25 -4.331 -13.774 3.649 200 HD1 HIS 25 1HD HIS 25 -3.088 -15.211 1.045 201 HD2 HIS 25 2HD HIS 25 -3.545 -16.813 4.895 202 HE1 HIS 25 1HE HIS 25 -1.281 -17.039 1.298 203 H GLY 26 H GLY 26 -8.275 -14.888 3.366 204 HA2 GLY 26 2HA GLY 26 -9.950 -13.896 4.957 205 HA3 GLY 26 1HA GLY 26 -8.894 -12.483 5.005 206 H LEU 27 H LEU 27 -11.236 -11.796 4.362 207 HA LEU 27 HA LEU 27 -11.879 -12.185 1.530 208 HB2 LEU 27 1HB LEU 27 -13.546 -12.207 3.446 209 HB3 LEU 27 2HB LEU 27 -13.160 -10.503 3.689 210 HG LEU 27 HG LEU 27 -14.062 -9.938 1.451 211 HD11 LEU 27 1HD1 LEU 27 -13.618 -11.825 0.137 212 HD12 LEU 27 2HD1 LEU 27 -15.377 -11.895 0.324 213 HD13 LEU 27 3HD1 LEU 27 -14.350 -12.952 1.300 214 HD21 LEU 27 3HD2 LEU 27 -15.575 -9.863 3.324 215 HD22 LEU 27 1HD2 LEU 27 -15.929 -11.598 3.163 216 HD23 LEU 27 2HD2 LEU 27 -16.431 -10.442 1.895 217 H ALA 28 H ALA 28 -11.940 -10.535 -0.058 218 HA ALA 28 HA ALA 28 -11.557 -7.760 0.783 219 HB1 ALA 28 1HB ALA 28 -10.039 -7.290 -1.085 220 HB2 ALA 28 2HB ALA 28 -9.316 -8.469 0.034 221 HB3 ALA 28 3HB ALA 28 -10.011 -9.020 -1.511 222 H ALA 29 H ALA 29 -12.581 -6.309 -0.720 223 HA ALA 29 HA ALA 29 -14.151 -7.408 -2.989 224 HB1 ALA 29 1HB ALA 29 -16.075 -5.988 -2.217 225 HB2 ALA 29 2HB ALA 29 -15.740 -7.330 -1.109 226 HB3 ALA 29 3HB ALA 29 -15.221 -5.699 -0.704 227 H PHE 30 H PHE 30 -14.354 -5.913 -4.633 228 HA PHE 30 HA PHE 30 -12.394 -3.708 -4.744 229 HB2 PHE 30 1HB PHE 30 -12.461 -5.282 -6.593 230 HB3 PHE 30 2HB PHE 30 -14.208 -5.092 -6.732 231 HD1 PHE 30 1HD PHE 30 -11.326 -2.621 -6.651 232 HD2 PHE 30 2HD PHE 30 -14.853 -4.061 -8.697 233 HE1 PHE 30 1HE PHE 30 -11.090 -0.853 -8.351 234 HE2 PHE 30 2HE PHE 30 -14.564 -2.324 -10.418 235 HZ PHE 30 HZ PHE 30 -12.691 -0.699 -10.258 236 H ARG 31 H ARG 31 -13.519 -2.392 -3.145 237 HA ARG 31 HA ARG 31 -16.017 -1.094 -4.190 238 HB2 ARG 31 1HB ARG 31 -14.707 -1.061 -1.428 239 HB3 ARG 31 2HB ARG 31 -16.074 -0.031 -1.886 240 HG2 ARG 31 1HG ARG 31 -16.084 -3.061 -1.688 241 HG3 ARG 31 2HG ARG 31 -16.867 -1.884 -0.602 242 HD2 ARG 31 1HD ARG 31 -18.277 -1.088 -2.471 243 HD3 ARG 31 2HD ARG 31 -17.533 -2.313 -3.536 244 HE ARG 31 HE ARG 31 -18.627 -3.432 -1.132 245 HH11 ARG 31 1HH1 ARG 31 -19.360 -2.331 -4.402 246 HH12 ARG 31 2HH1 ARG 31 -20.622 -3.446 -4.753 247 HH21 ARG 31 1HH2 ARG 31 -20.724 -4.512 -1.300 248 HH22 ARG 31 2HH2 ARG 31 -21.559 -4.602 -2.826 249 H GLY 32 H GLY 32 -14.312 -0.550 -5.857 250 HA2 GLY 32 2HA GLY 32 -14.447 1.491 -6.964 251 HA3 GLY 32 1HA GLY 32 -14.307 2.352 -5.426 252 H ARG 33 H ARG 33 -12.955 3.504 -7.254 253 HA ARG 33 HA ARG 33 -10.106 2.539 -7.057 254 HB2 ARG 33 1HB ARG 33 -11.471 4.058 -9.293 255 HB3 ARG 33 2HB ARG 33 -9.728 3.849 -9.178 256 HG2 ARG 33 1HG ARG 33 -9.786 1.560 -9.620 257 HG3 ARG 33 2HG ARG 33 -11.454 1.366 -9.058 258 HD2 ARG 33 1HD ARG 33 -11.349 1.151 -11.478 259 HD3 ARG 33 2HD ARG 33 -12.316 2.525 -10.968 260 HE ARG 33 HE ARG 33 -10.828 4.006 -11.856 261 HH11 ARG 33 1HH1 ARG 33 -9.576 0.667 -12.226 262 HH12 ARG 33 2HH1 ARG 33 -8.462 1.095 -13.462 263 HH21 ARG 33 1HH2 ARG 33 -9.280 4.534 -13.449 264 HH22 ARG 33 2HH2 ARG 33 -8.321 3.324 -14.222 265 H GLY 34 H GLY 34 -8.471 4.352 -6.861 266 HA2 GLY 34 2HA GLY 34 -9.401 7.006 -6.257 267 HA3 GLY 34 1HA GLY 34 -9.172 6.035 -4.794 268 H CYS 35 H CYS 35 -7.787 8.184 -4.930 269 HA CYS 35 HA CYS 35 -5.043 7.145 -5.171 270 HB2 CYS 35 1HB CYS 35 -4.334 9.333 -6.075 271 HB3 CYS 35 2HB CYS 35 -5.314 8.407 -7.206 272 HG CYS 35 HG CYS 35 -6.159 10.991 -5.284 273 H THR 36 H THR 36 -3.647 8.068 -3.617 274 HA THR 36 HA THR 36 -4.954 9.156 -1.195 275 HB THR 36 HB THR 36 -2.440 9.248 -0.478 276 HG1 THR 36 1HG THR 36 -2.364 7.523 -2.772 277 HG21 THR 36 3HG2 THR 36 -2.330 6.879 0.052 278 HG22 THR 36 1HG2 THR 36 -3.791 6.587 -0.926 279 HG23 THR 36 2HG2 THR 36 -3.866 7.621 0.535 280 H VAL 37 H VAL 37 -5.768 11.151 -1.792 281 HA VAL 37 HA VAL 37 -4.365 12.938 -3.539 282 HB VAL 37 HB VAL 37 -6.022 14.654 -2.438 283 HG11 VAL 37 1HG1 VAL 37 -7.687 13.921 -4.072 284 HG12 VAL 37 2HG1 VAL 37 -6.059 13.791 -4.724 285 HG13 VAL 37 3HG1 VAL 37 -6.875 12.328 -4.182 286 HG21 VAL 37 3HG2 VAL 37 -6.716 13.238 -0.503 287 HG22 VAL 37 1HG2 VAL 37 -8.068 13.668 -1.559 288 HG23 VAL 37 2HG2 VAL 37 -7.397 12.042 -1.636 289 H GLU 38 H GLU 38 -4.524 12.513 -0.034 290 HA GLU 38 HA GLU 38 -2.648 14.547 0.697 291 HB2 GLU 38 1HB GLU 38 -3.794 12.020 1.825 292 HB3 GLU 38 2HB GLU 38 -2.188 12.420 2.395 293 HG2 GLU 38 1HG GLU 38 -4.277 13.228 3.724 294 HG3 GLU 38 2HG GLU 38 -2.837 14.226 3.582 295 H SER 39 H SER 39 -0.781 14.741 -0.373 296 HA SER 39 HA SER 39 0.532 12.735 -1.836 297 HB2 SER 39 1HB SER 39 1.993 14.936 -0.367 298 HB3 SER 39 2HB SER 39 2.336 14.271 -1.958 299 HG SER 39 HG SER 39 0.576 15.341 -2.782 300 H PHE 40 H PHE 40 2.211 11.181 -1.177 301 HA PHE 40 HA PHE 40 3.111 11.389 1.631 302 HB2 PHE 40 1HB PHE 40 1.838 8.947 0.325 303 HB3 PHE 40 2HB PHE 40 3.056 8.801 1.573 304 HD1 PHE 40 1HD PHE 40 2.683 9.575 3.872 305 HD2 PHE 40 2HD PHE 40 -0.436 9.525 0.920 306 HE1 PHE 40 1HE PHE 40 0.969 9.702 5.675 307 HE2 PHE 40 2HE PHE 40 -2.144 9.592 2.692 308 HZ PHE 40 HZ PHE 40 -1.452 9.611 5.097 309 HA PRO 41 HA PRO 41 6.926 10.514 -0.530 310 HB2 PRO 41 1HB PRO 41 8.492 9.832 1.602 311 HB3 PRO 41 2HB PRO 41 7.856 11.514 1.372 312 HG2 PRO 41 1HG PRO 41 6.689 9.296 3.050 313 HG3 PRO 41 2HG PRO 41 7.044 10.992 3.546 314 HD2 PRO 41 1HD PRO 41 4.598 10.230 2.817 315 HD3 PRO 41 2HD PRO 41 5.249 11.813 2.288 316 H LEU 42 H LEU 42 6.499 8.698 -1.813 317 HA LEU 42 HA LEU 42 6.883 6.023 -0.584 318 HB2 LEU 42 1HB LEU 42 4.963 6.308 -2.178 319 HB3 LEU 42 2HB LEU 42 6.089 6.905 -3.390 320 HG LEU 42 HG LEU 42 7.241 4.671 -3.402 321 HD11 LEU 42 1HD1 LEU 42 6.598 3.809 -1.198 322 HD12 LEU 42 2HD1 LEU 42 5.969 2.735 -2.450 323 HD13 LEU 42 3HD1 LEU 42 4.877 3.874 -1.629 324 HD21 LEU 42 3HD2 LEU 42 4.250 4.632 -4.004 325 HD22 LEU 42 1HD2 LEU 42 5.508 3.559 -4.716 326 HD23 LEU 42 2HD2 LEU 42 5.507 5.285 -5.066 327 H VAL 43 H VAL 43 9.019 5.432 -0.450 328 HA VAL 43 HA VAL 43 10.838 6.267 -2.646 329 HB VAL 43 HB VAL 43 12.629 6.669 -1.113 330 HG11 VAL 43 1HG1 VAL 43 10.228 8.273 -0.149 331 HG12 VAL 43 2HG1 VAL 43 11.934 8.754 -0.094 332 HG13 VAL 43 3HG1 VAL 43 11.132 8.568 -1.657 333 HG21 VAL 43 3HG2 VAL 43 12.299 6.784 1.372 334 HG22 VAL 43 1HG2 VAL 43 10.707 6.031 1.173 335 HG23 VAL 43 2HG2 VAL 43 12.173 5.167 0.689 336 H ILE 44 H ILE 44 12.521 4.681 -3.081 337 HA ILE 44 HA ILE 44 11.727 1.937 -2.267 338 HB ILE 44 HB ILE 44 13.564 2.756 -4.531 339 HG12 ILE 44 1HG1 ILE 44 10.711 1.676 -4.728 340 HG13 ILE 44 2HG1 ILE 44 11.100 3.391 -4.852 341 HG21 ILE 44 1HG2 ILE 44 12.365 0.056 -3.688 342 HG22 ILE 44 2HG2 ILE 44 13.335 0.312 -5.129 343 HG23 ILE 44 3HG2 ILE 44 14.077 0.525 -3.566 344 HD11 ILE 44 3HD1 ILE 44 11.836 1.192 -6.777 345 HD12 ILE 44 1HD1 ILE 44 10.824 2.604 -7.051 346 HD13 ILE 44 2HD1 ILE 44 12.573 2.821 -6.834 347 H ALA 45 H ALA 45 12.912 0.980 -0.662 348 HA ALA 45 HA ALA 45 15.753 1.675 -0.408 349 HB1 ALA 45 1HB ALA 45 13.798 1.730 1.924 350 HB2 ALA 45 2HB ALA 45 15.549 1.987 2.005 351 HB3 ALA 45 3HB ALA 45 14.536 3.168 1.165 352 H GLY 46 H GLY 46 16.634 0.194 1.399 353 HA2 GLY 46 2HA GLY 46 16.918 -1.793 2.455 354 HA3 GLY 46 1HA GLY 46 15.287 -2.299 1.978 355 H GLU 47 H GLU 47 17.674 -3.957 1.951 356 HA GLU 47 HA GLU 47 18.833 -3.977 -0.652 357 HB2 GLU 47 1HB GLU 47 19.555 -5.059 1.741 358 HB3 GLU 47 2HB GLU 47 18.908 -6.511 0.952 359 HG2 GLU 47 1HG GLU 47 20.381 -5.937 -1.048 360 HG3 GLU 47 2HG GLU 47 21.059 -4.622 -0.085 361 H HIS 48 H HIS 48 15.824 -5.120 0.247 362 HA HIS 48 HA HIS 48 15.823 -7.143 -1.885 363 HB2 HIS 48 1HB HIS 48 14.337 -6.718 0.692 364 HB3 HIS 48 2HB HIS 48 13.449 -7.536 -0.570 365 HD1 HIS 48 1HD HIS 48 15.004 -9.739 -1.684 366 HD2 HIS 48 2HD HIS 48 15.951 -8.207 2.133 367 HE1 HIS 48 1HE HIS 48 16.305 -11.562 -0.483 368 H ASN 49 H ASN 49 15.369 -4.015 -1.961 369 HA ASN 49 HA ASN 49 14.193 -2.504 -3.083 370 HB2 ASN 49 1HB ASN 49 13.126 -4.775 -4.777 371 HB3 ASN 49 2HB ASN 49 13.064 -3.090 -5.204 372 HD21 ASN 49 1HD2 ASN 49 14.240 -5.271 -6.709 373 HD22 ASN 49 2HD2 ASN 49 15.954 -4.889 -6.899 374 H ILE 50 H ILE 50 13.141 -2.496 -0.904 375 HA ILE 50 HA ILE 50 10.282 -3.297 -0.943 376 HB ILE 50 HB ILE 50 12.242 -3.164 1.404 377 HG12 ILE 50 1HG1 ILE 50 10.561 -5.481 0.361 378 HG13 ILE 50 2HG1 ILE 50 12.240 -5.235 -0.105 379 HG21 ILE 50 1HG2 ILE 50 10.293 -3.779 2.810 380 HG22 ILE 50 2HG2 ILE 50 10.015 -2.235 2.039 381 HG23 ILE 50 3HG2 ILE 50 9.227 -3.682 1.389 382 HD11 ILE 50 3HD1 ILE 50 12.933 -5.355 2.274 383 HD12 ILE 50 1HD1 ILE 50 11.256 -5.758 2.726 384 HD13 ILE 50 2HD1 ILE 50 12.168 -6.846 1.681 385 HA PRO 51 HA PRO 51 10.507 1.279 -0.840 386 HB2 PRO 51 1HB PRO 51 8.037 1.743 -2.042 387 HB3 PRO 51 2HB PRO 51 9.573 1.646 -2.924 388 HG2 PRO 51 1HG PRO 51 7.503 -0.518 -2.508 389 HG3 PRO 51 2HG PRO 51 8.404 -0.090 -3.992 390 HD2 PRO 51 1HD PRO 51 9.127 -2.196 -2.396 391 HD3 PRO 51 2HD PRO 51 10.343 -1.210 -3.252 392 H TRP 52 H TRP 52 9.477 2.611 0.575 393 HA TRP 52 HA TRP 52 7.396 1.382 2.315 394 HB2 TRP 52 1HB TRP 52 9.620 3.259 3.195 395 HB3 TRP 52 2HB TRP 52 8.433 2.475 4.218 396 HD1 TRP 52 HD TRP 52 11.344 1.459 1.917 397 HE1 TRP 52 1HE TRP 52 12.469 -0.609 2.799 398 HE3 TRP 52 3HE TRP 52 8.415 0.680 6.033 399 HZ2 TRP 52 2HZ TRP 52 12.269 -2.321 5.099 400 HZ3 TRP 52 3HZ TRP 52 8.861 -1.213 7.527 401 HH2 TRP 52 HH TRP 52 10.823 -2.713 7.136 402 H LEU 53 H LEU 53 6.000 2.973 3.352 403 HA LEU 53 HA LEU 53 6.014 5.605 2.042 404 HB2 LEU 53 1HB LEU 53 4.049 3.918 1.696 405 HB3 LEU 53 2HB LEU 53 3.612 4.305 3.352 406 HG LEU 53 HG LEU 53 3.632 6.794 2.603 407 HD11 LEU 53 1HD1 LEU 53 3.204 7.072 0.118 408 HD12 LEU 53 2HD1 LEU 53 3.608 5.367 -0.110 409 HD13 LEU 53 3HD1 LEU 53 4.828 6.509 0.477 410 HD21 LEU 53 3HD2 LEU 53 1.533 5.600 3.034 411 HD22 LEU 53 1HD2 LEU 53 1.595 4.856 1.424 412 HD23 LEU 53 2HD2 LEU 53 1.354 6.617 1.610 413 H LEU 54 H LEU 54 7.402 6.837 3.586 414 HA LEU 54 HA LEU 54 7.046 6.602 6.351 415 HB2 LEU 54 1HB LEU 54 7.758 9.116 4.825 416 HB3 LEU 54 2HB LEU 54 8.150 8.722 6.427 417 HG LEU 54 HG LEU 54 10.097 8.248 5.636 418 HD11 LEU 54 1HD1 LEU 54 10.758 6.095 4.981 419 HD12 LEU 54 2HD1 LEU 54 9.146 5.657 4.432 420 HD13 LEU 54 3HD1 LEU 54 9.461 5.946 6.165 421 HD21 LEU 54 3HD2 LEU 54 10.852 7.928 3.419 422 HD22 LEU 54 1HD2 LEU 54 9.738 9.286 3.529 423 HD23 LEU 54 2HD2 LEU 54 9.176 7.733 2.841 424 H TYR 55 H TYR 55 5.476 7.533 7.736 425 HA TYR 55 HA TYR 55 3.049 8.460 6.455 426 HB2 TYR 55 1HB TYR 55 3.063 7.200 8.640 427 HB3 TYR 55 2HB TYR 55 3.787 8.587 9.411 428 HD1 TYR 55 1HD TYR 55 0.816 7.820 7.177 429 HD2 TYR 55 2HD TYR 55 2.350 10.122 10.481 430 HE1 TYR 55 1HE TYR 55 -1.411 8.860 7.465 431 HE2 TYR 55 2HE TYR 55 0.120 11.191 10.748 432 HH TYR 55 HH TYR 55 -2.443 10.857 8.423 433 H LEU 56 H LEU 56 3.532 10.341 5.243 434 HA LEU 56 HA LEU 56 3.935 12.770 6.878 435 HB2 LEU 56 1HB LEU 56 6.112 11.688 5.743 436 HB3 LEU 56 2HB LEU 56 5.542 12.528 4.350 437 HG LEU 56 HG LEU 56 6.949 14.082 5.218 438 HD11 LEU 56 1HD1 LEU 56 4.486 14.917 6.798 439 HD12 LEU 56 2HD1 LEU 56 4.661 15.141 5.051 440 HD13 LEU 56 3HD1 LEU 56 5.781 15.938 6.180 441 HD21 LEU 56 3HD2 LEU 56 6.018 13.445 8.030 442 HD22 LEU 56 1HD2 LEU 56 7.324 14.570 7.542 443 HD23 LEU 56 2HD2 LEU 56 7.497 12.836 7.270 444 HA PRO 57 HA PRO 57 0.540 12.967 3.699 445 HB2 PRO 57 1HB PRO 57 -1.218 14.445 5.255 446 HB3 PRO 57 2HB PRO 57 -1.153 12.657 5.168 447 HG2 PRO 57 1HG PRO 57 0.048 14.491 7.234 448 HG3 PRO 57 2HG PRO 57 -0.790 12.931 7.489 449 HD2 PRO 57 1HD PRO 57 1.921 13.131 7.509 450 HD3 PRO 57 2HD PRO 57 1.095 11.691 6.853 451 H GLY 58 H GLY 58 0.999 14.390 2.218 452 HA2 GLY 58 2HA GLY 58 0.767 16.555 1.286 453 HA3 GLY 58 1HA GLY 58 1.310 17.296 2.787 454 H LYS 59 H LYS 59 3.467 14.686 2.233 455 HA LYS 59 HA LYS 59 5.309 16.355 0.583 456 HB2 LYS 59 1HB LYS 59 5.632 14.451 2.933 457 HB3 LYS 59 2HB LYS 59 6.951 14.645 1.785 458 HG2 LYS 59 1HG LYS 59 7.157 16.110 3.798 459 HG3 LYS 59 2HG LYS 59 7.192 16.914 2.223 460 HD2 LYS 59 1HD LYS 59 5.214 17.992 2.475 461 HD3 LYS 59 2HD LYS 59 4.585 16.849 3.671 462 HE2 LYS 59 1HE LYS 59 5.866 17.776 5.428 463 HE3 LYS 59 2HE LYS 59 6.889 18.679 4.321 464 HZ1 LYS 59 3HZ LYS 59 4.008 19.106 4.816 465 HZ2 LYS 59 1HZ LYS 59 4.866 19.950 3.701 466 HZ3 LYS 59 2HZ LYS 59 5.223 20.092 5.318 467 H GLY 60 H GLY 60 6.625 15.054 -0.940 468 HA2 GLY 60 2HA GLY 60 6.856 13.326 -2.504 469 HA3 GLY 60 1HA GLY 60 5.784 12.302 -1.544 470 H HIS 61 H HIS 61 4.211 11.727 -3.070 471 HA HIS 61 HA HIS 61 2.744 13.861 -4.496 472 HB2 HIS 61 1HB HIS 61 4.047 11.495 -5.897 473 HB3 HIS 61 2HB HIS 61 3.012 12.725 -6.632 474 HD1 HIS 61 1HD HIS 61 4.132 15.198 -6.998 475 HD2 HIS 61 2HD HIS 61 6.620 12.118 -5.563 476 HE1 HIS 61 1HE HIS 61 6.510 16.057 -7.195 477 H CYS 62 H CYS 62 0.896 12.566 -5.894 478 HA CYS 62 HA CYS 62 -0.622 11.092 -3.887 479 HB2 CYS 62 1HB CYS 62 -1.310 11.617 -6.821 480 HB3 CYS 62 2HB CYS 62 -2.410 11.051 -5.561 481 HG CYS 62 HG CYS 62 -3.071 13.515 -6.093 482 H VAL 63 H VAL 63 -0.285 8.991 -3.401 483 HA VAL 63 HA VAL 63 0.782 7.277 -5.496 484 HB VAL 63 HB VAL 63 -0.197 6.564 -2.754 485 HG11 VAL 63 1HG1 VAL 63 1.624 5.157 -4.749 486 HG12 VAL 63 2HG1 VAL 63 1.261 4.556 -3.109 487 HG13 VAL 63 3HG1 VAL 63 -0.029 4.647 -4.315 488 HG21 VAL 63 3HG2 VAL 63 2.631 7.248 -3.618 489 HG22 VAL 63 1HG2 VAL 63 1.625 8.114 -2.434 490 HG23 VAL 63 2HG2 VAL 63 2.169 6.490 -2.067 491 H THR 64 H THR 64 -0.586 6.773 -7.118 492 HA THR 64 HA THR 64 -3.478 6.660 -6.735 493 HB THR 64 HB THR 64 -3.511 5.849 -9.065 494 HG1 THR 64 1HG THR 64 -0.802 6.445 -9.393 495 HG21 THR 64 3HG2 THR 64 -2.565 7.876 -10.119 496 HG22 THR 64 1HG2 THR 64 -1.806 8.328 -8.579 497 HG23 THR 64 2HG2 THR 64 -3.567 8.243 -8.705 498 H GLY 65 H GLY 65 -4.786 4.656 -7.106 499 HA2 GLY 65 2HA GLY 65 -3.706 2.040 -6.991 500 HA3 GLY 65 1HA GLY 65 -3.957 2.633 -5.340 501 H GLU 66 H GLU 66 -5.617 1.031 -5.007 502 HA GLU 66 HA GLU 66 -8.241 1.763 -6.060 503 HB2 GLU 66 1HB GLU 66 -6.826 -0.874 -6.395 504 HB3 GLU 66 2HB GLU 66 -8.558 -0.902 -6.023 505 HG2 GLU 66 1HG GLU 66 -9.192 0.071 -7.991 506 HG3 GLU 66 2HG GLU 66 -7.704 0.977 -8.190 507 H ILE 67 H ILE 67 -9.933 0.890 -4.676 508 HA ILE 67 HA ILE 67 -9.073 0.987 -1.846 509 HB ILE 67 HB ILE 67 -11.837 1.493 -2.928 510 HG12 ILE 67 1HG1 ILE 67 -10.013 3.863 -2.468 511 HG13 ILE 67 2HG1 ILE 67 -10.245 3.167 -4.074 512 HG21 ILE 67 1HG2 ILE 67 -11.539 1.097 -0.512 513 HG22 ILE 67 2HG2 ILE 67 -10.373 2.432 -0.420 514 HG23 ILE 67 3HG2 ILE 67 -12.082 2.747 -0.790 515 HD11 ILE 67 3HD1 ILE 67 -12.704 3.447 -3.883 516 HD12 ILE 67 1HD1 ILE 67 -12.464 4.308 -2.349 517 HD13 ILE 67 2HD1 ILE 67 -11.802 4.962 -3.853 518 H TYR 68 H TYR 68 -9.501 -0.899 -0.740 519 HA TYR 68 HA TYR 68 -11.513 -2.731 -1.917 520 HB2 TYR 68 1HB TYR 68 -8.899 -3.600 -0.658 521 HB3 TYR 68 2HB TYR 68 -10.230 -4.653 -1.111 522 HD1 TYR 68 1HD TYR 68 -7.547 -2.461 -2.445 523 HD2 TYR 68 2HD TYR 68 -10.787 -5.109 -3.454 524 HE1 TYR 68 1HE TYR 68 -6.722 -2.582 -4.773 525 HE2 TYR 68 2HE TYR 68 -9.988 -5.189 -5.804 526 HH TYR 68 HH TYR 68 -7.705 -3.318 -7.278 527 H GLU 69 H GLU 69 -13.081 -3.228 -0.576 528 HA GLU 69 HA GLU 69 -12.971 -2.656 2.314 529 HB2 GLU 69 1HB GLU 69 -15.077 -2.452 1.085 530 HB3 GLU 69 2HB GLU 69 -14.933 -4.110 0.592 531 HG2 GLU 69 1HG GLU 69 -16.361 -3.677 2.421 532 HG3 GLU 69 2HG GLU 69 -15.199 -4.936 2.819 533 H VAL 70 H VAL 70 -12.771 -4.426 3.778 534 HA VAL 70 HA VAL 70 -12.009 -7.106 2.776 535 HB VAL 70 HB VAL 70 -9.974 -7.053 4.216 536 HG11 VAL 70 1HG1 VAL 70 -8.476 -5.934 2.687 537 HG12 VAL 70 2HG1 VAL 70 -9.769 -6.711 1.768 538 HG13 VAL 70 3HG1 VAL 70 -9.798 -4.957 2.022 539 HG21 VAL 70 3HG2 VAL 70 -10.504 -5.148 5.692 540 HG22 VAL 70 1HG2 VAL 70 -8.915 -4.987 4.927 541 HG23 VAL 70 2HG2 VAL 70 -10.290 -4.042 4.323 542 H ASP 71 H ASP 71 -11.860 -8.619 4.667 543 HA ASP 71 HA ASP 71 -13.520 -7.631 6.925 544 HB2 ASP 71 1HB ASP 71 -13.683 -10.361 5.699 545 HB3 ASP 71 2HB ASP 71 -14.073 -10.074 7.375 546 H GLU 72 H GLU 72 -13.115 -8.921 8.871 547 HA GLU 72 HA GLU 72 -10.782 -7.840 9.785 548 HB2 GLU 72 1HB GLU 72 -12.945 -9.522 10.836 549 HB3 GLU 72 2HB GLU 72 -11.451 -9.756 11.741 550 HG2 GLU 72 1HG GLU 72 -11.637 -7.734 12.712 551 HG3 GLU 72 2HG GLU 72 -12.019 -6.953 11.195 552 H GLN 73 H GLN 73 -11.073 -11.170 8.534 553 HA GLN 73 HA GLN 73 -8.520 -11.877 9.705 554 HB2 GLN 73 1HB GLN 73 -10.225 -13.602 9.121 555 HB3 GLN 73 2HB GLN 73 -9.918 -13.264 7.419 556 HG2 GLN 73 1HG GLN 73 -8.717 -15.267 8.205 557 HG3 GLN 73 2HG GLN 73 -7.654 -14.026 7.566 558 HE21 GLN 73 1HE2 GLN 73 -8.988 -13.799 10.908 559 HE22 GLN 73 2HE2 GLN 73 -7.480 -14.234 11.683 560 H MET 74 H MET 74 -9.546 -10.368 6.560 561 HA MET 74 HA MET 74 -6.902 -10.719 5.378 562 HB2 MET 74 1HB MET 74 -8.808 -10.341 3.951 563 HB3 MET 74 2HB MET 74 -9.265 -8.921 4.825 564 HG2 MET 74 1HG MET 74 -8.282 -8.316 2.704 565 HG3 MET 74 2HG MET 74 -7.283 -7.710 4.020 566 HE1 MET 74 3HE MET 74 -7.558 -10.121 0.927 567 HE2 MET 74 1HE MET 74 -6.303 -11.320 1.344 568 HE3 MET 74 2HE MET 74 -7.737 -11.156 2.380 569 H LEU 75 H LEU 75 -8.574 -8.077 7.106 570 HA LEU 75 HA LEU 75 -6.272 -6.377 7.023 571 HB2 LEU 75 1HB LEU 75 -8.885 -6.081 7.940 572 HB3 LEU 75 2HB LEU 75 -7.940 -5.894 9.410 573 HG LEU 75 HG LEU 75 -7.459 -4.370 6.802 574 HD11 LEU 75 1HD1 LEU 75 -8.367 -2.407 7.956 575 HD12 LEU 75 2HD1 LEU 75 -8.720 -3.386 9.393 576 HD13 LEU 75 3HD1 LEU 75 -9.568 -3.701 7.847 577 HD21 LEU 75 3HD2 LEU 75 -6.052 -2.854 8.214 578 HD22 LEU 75 1HD2 LEU 75 -5.383 -4.473 8.044 579 HD23 LEU 75 2HD2 LEU 75 -6.212 -4.017 9.556 580 H ARG 76 H ARG 76 -7.072 -8.959 9.337 581 HA ARG 76 HA ARG 76 -4.819 -8.426 11.136 582 HB2 ARG 76 1HB ARG 76 -6.549 -10.857 10.622 583 HB3 ARG 76 2HB ARG 76 -5.127 -10.924 11.658 584 HG2 ARG 76 1HG ARG 76 -6.050 -9.022 13.031 585 HG3 ARG 76 2HG ARG 76 -7.539 -9.112 12.062 586 HD2 ARG 76 1HD ARG 76 -7.406 -11.666 12.663 587 HD3 ARG 76 2HD ARG 76 -6.372 -11.116 13.997 588 HE ARG 76 HE ARG 76 -8.588 -9.452 14.028 589 HH11 ARG 76 1HH1 ARG 76 -7.905 -12.879 14.665 590 HH12 ARG 76 2HH1 ARG 76 -9.376 -13.159 15.526 591 HH21 ARG 76 1HH2 ARG 76 -10.498 -9.803 15.279 592 HH22 ARG 76 2HH2 ARG 76 -10.793 -11.373 15.940 593 H PHE 77 H PHE 77 -5.273 -10.575 8.280 594 HA PHE 77 HA PHE 77 -2.772 -11.814 8.412 595 HB2 PHE 77 1HB PHE 77 -4.512 -12.703 7.036 596 HB3 PHE 77 2HB PHE 77 -4.669 -11.208 6.120 597 HD1 PHE 77 2HD PHE 77 -2.436 -14.117 6.753 598 HD2 PHE 77 1HD PHE 77 -3.221 -10.675 4.287 599 HE1 PHE 77 2HE PHE 77 -0.851 -14.964 5.063 600 HE2 PHE 77 1HE PHE 77 -1.466 -11.410 2.701 601 HZ PHE 77 HZ PHE 77 -0.314 -13.605 3.043 602 H LEU 78 H LEU 78 -3.740 -8.915 6.526 603 HA LEU 78 HA LEU 78 -1.213 -8.499 5.323 604 HB2 LEU 78 1HB LEU 78 -3.404 -6.538 6.048 605 HB3 LEU 78 2HB LEU 78 -2.022 -6.126 5.020 606 HG LEU 78 HG LEU 78 -4.035 -8.306 4.356 607 HD11 LEU 78 1HD1 LEU 78 -3.934 -5.389 3.474 608 HD12 LEU 78 2HD1 LEU 78 -5.164 -6.148 4.513 609 HD13 LEU 78 3HD1 LEU 78 -5.028 -6.629 2.816 610 HD21 LEU 78 3HD2 LEU 78 -1.917 -8.602 3.172 611 HD22 LEU 78 1HD2 LEU 78 -1.957 -6.915 2.617 612 HD23 LEU 78 2HD2 LEU 78 -3.187 -8.085 2.064 613 H ASP 79 H ASP 79 -2.402 -7.473 8.474 614 HA ASP 79 HA ASP 79 -0.382 -5.625 9.384 615 HB2 ASP 79 1HB ASP 79 -2.719 -6.522 10.357 616 HB3 ASP 79 2HB ASP 79 -1.715 -7.734 11.126 617 H ASP 80 H ASP 80 -0.698 -9.190 9.673 618 HA ASP 80 HA ASP 80 1.849 -9.567 10.925 619 HB2 ASP 80 1HB ASP 80 -0.197 -11.038 11.090 620 HB3 ASP 80 2HB ASP 80 0.069 -11.566 9.426 621 H PHE 81 H PHE 81 0.706 -9.884 7.612 622 HA PHE 81 HA PHE 81 2.769 -11.371 6.552 623 HB2 PHE 81 1HB PHE 81 0.704 -11.145 5.357 624 HB3 PHE 81 2HB PHE 81 0.868 -9.392 5.271 625 HD1 PHE 81 1HD PHE 81 3.523 -11.941 4.468 626 HD2 PHE 81 2HD PHE 81 0.776 -8.980 2.907 627 HE1 PHE 81 1HE PHE 81 4.770 -11.880 2.348 628 HE2 PHE 81 2HE PHE 81 1.964 -9.056 0.744 629 HZ PHE 81 HZ PHE 81 4.029 -10.431 0.496 630 H GLU 82 H GLU 82 2.477 -7.782 6.483 631 HA GLU 82 HA GLU 82 5.048 -7.511 5.082 632 HB2 GLU 82 1HB GLU 82 3.629 -5.292 6.542 633 HB3 GLU 82 2HB GLU 82 4.764 -5.156 5.219 634 HG2 GLU 82 1HG GLU 82 1.931 -6.243 4.996 635 HG3 GLU 82 2HG GLU 82 2.454 -4.624 4.571 636 H ASP 83 H ASP 83 4.277 -8.273 8.214 637 HA ASP 83 HA ASP 83 5.290 -8.487 10.093 638 HB2 ASP 83 1HB ASP 83 7.599 -8.502 8.603 639 HB3 ASP 83 2HB ASP 83 7.798 -7.014 9.423 640 H CYS 84 H CYS 84 3.658 -6.045 9.538 641 HA CYS 84 HA CYS 84 4.870 -4.034 11.245 642 HB2 CYS 84 1HB CYS 84 2.947 -2.839 10.906 643 HB3 CYS 84 2HB CYS 84 2.881 -3.829 9.500 644 HG CYS 84 HG CYS 84 1.434 -5.656 10.854 645 HA PRO 85 HA PRO 85 3.779 -2.718 12.989 646 HB2 PRO 85 1HB PRO 85 4.267 -2.153 15.625 647 HB3 PRO 85 2HB PRO 85 2.634 -2.511 14.988 648 HG2 PRO 85 1HG PRO 85 4.553 -4.411 16.371 649 HG3 PRO 85 2HG PRO 85 2.804 -4.184 16.677 650 HD2 PRO 85 1HD PRO 85 3.778 -6.193 15.091 651 HD3 PRO 85 2HD PRO 85 2.193 -5.419 14.805 652 H SER 86 H SER 86 5.974 -5.226 13.477 653 HA SER 86 HA SER 86 8.267 -4.086 14.610 654 HB2 SER 86 1HB SER 86 7.460 -6.566 13.913 655 HB3 SER 86 2HB SER 86 8.470 -6.237 12.507 656 HG SER 86 HG SER 86 9.575 -7.253 14.099 657 H MET 87 H MET 87 7.565 -4.714 11.150 658 HA MET 87 HA MET 87 9.724 -2.926 10.257 659 HB2 MET 87 1HB MET 87 7.708 -4.673 8.775 660 HB3 MET 87 2HB MET 87 8.833 -3.591 7.976 661 HG2 MET 87 1HG MET 87 10.707 -4.764 8.972 662 HG3 MET 87 2HG MET 87 9.658 -5.832 9.863 663 HE1 MET 87 3HE MET 87 10.126 -4.576 6.089 664 HE2 MET 87 1HE MET 87 9.620 -6.030 5.213 665 HE3 MET 87 2HE MET 87 8.439 -5.148 6.195 666 H TYR 88 H TYR 88 6.310 -3.145 9.221 667 HA TYR 88 HA TYR 88 6.178 -0.219 8.825 668 HB2 TYR 88 1HB TYR 88 4.339 -2.543 8.092 669 HB3 TYR 88 2HB TYR 88 3.973 -0.865 7.737 670 HD1 TYR 88 1HD TYR 88 5.326 0.461 6.136 671 HD2 TYR 88 2HD TYR 88 6.012 -3.759 6.768 672 HE1 TYR 88 1HE TYR 88 6.551 0.355 4.000 673 HE2 TYR 88 2HE TYR 88 7.199 -3.885 4.620 674 HH TYR 88 HH TYR 88 7.173 -2.744 2.506 675 H GLN 89 H GLN 89 3.750 0.519 9.285 676 HA GLN 89 HA GLN 89 2.422 -0.746 11.538 677 HB2 GLN 89 1HB GLN 89 2.856 2.261 11.483 678 HB3 GLN 89 2HB GLN 89 1.917 1.354 12.650 679 HG2 GLN 89 1HG GLN 89 3.785 1.750 13.878 680 HG3 GLN 89 2HG GLN 89 4.192 0.172 13.232 681 HE21 GLN 89 1HE2 GLN 89 6.258 0.063 12.315 682 HE22 GLN 89 2HE2 GLN 89 7.253 1.453 11.921 683 H ARG 90 H ARG 90 0.118 0.422 11.546 684 HA ARG 90 HA ARG 90 -0.742 0.982 8.717 685 HB2 ARG 90 1HB ARG 90 -1.527 -1.137 9.397 686 HB3 ARG 90 2HB ARG 90 -1.977 -0.595 10.987 687 HG2 ARG 90 1HG ARG 90 -3.397 0.671 8.635 688 HG3 ARG 90 2HG ARG 90 -3.721 -1.027 8.942 689 HD2 ARG 90 1HD ARG 90 -4.253 1.269 10.843 690 HD3 ARG 90 2HD ARG 90 -5.442 0.228 10.032 691 HE ARG 90 HE ARG 90 -3.928 -1.575 11.393 692 HH11 ARG 90 1HH1 ARG 90 -6.229 0.862 12.507 693 HH12 ARG 90 2HH1 ARG 90 -6.017 0.468 14.154 694 HH21 ARG 90 1HH2 ARG 90 -3.287 -1.757 13.577 695 HH22 ARG 90 2HH2 ARG 90 -4.192 -0.942 14.806 696 H THR 91 H THR 91 -1.620 2.997 8.380 697 HA THR 91 HA THR 91 -2.609 4.472 10.771 698 HB THR 91 HB THR 91 -1.102 5.747 8.468 699 HG1 THR 91 1HG THR 91 0.531 4.743 9.427 700 HG21 THR 91 3HG2 THR 91 -0.756 7.532 10.236 701 HG22 THR 91 1HG2 THR 91 -1.889 6.649 11.265 702 HG23 THR 91 2HG2 THR 91 -2.422 7.341 9.714 703 H ALA 92 H ALA 92 -4.308 5.915 10.376 704 HA ALA 92 HA ALA 92 -6.041 5.523 8.015 705 HB1 ALA 92 1HB ALA 92 -6.270 7.257 10.498 706 HB2 ALA 92 2HB ALA 92 -7.485 7.078 9.236 707 HB3 ALA 92 3HB ALA 92 -7.052 5.676 10.240 708 H LEU 93 H LEU 93 -6.127 7.012 6.413 709 HA LEU 93 HA LEU 93 -4.904 9.683 6.575 710 HB2 LEU 93 1HB LEU 93 -3.793 9.409 4.404 711 HB3 LEU 93 2HB LEU 93 -3.127 8.361 5.621 712 HG LEU 93 HG LEU 93 -3.215 7.378 3.388 713 HD11 LEU 93 1HD1 LEU 93 -4.510 5.965 5.718 714 HD12 LEU 93 2HD1 LEU 93 -2.758 6.226 5.400 715 HD13 LEU 93 3HD1 LEU 93 -3.829 5.245 4.368 716 HD21 LEU 93 3HD2 LEU 93 -5.183 6.170 2.671 717 HD22 LEU 93 1HD2 LEU 93 -5.451 7.906 2.618 718 HD23 LEU 93 2HD2 LEU 93 -6.172 6.931 3.926 719 H GLN 94 H GLN 94 -5.353 10.323 3.823 720 HA GLN 94 HA GLN 94 -8.239 9.878 3.568 721 HB2 GLN 94 1HB GLN 94 -7.672 12.237 4.238 722 HB3 GLN 94 2HB GLN 94 -6.557 12.349 2.892 723 HG2 GLN 94 1HG GLN 94 -8.183 13.319 1.740 724 HG3 GLN 94 2HG GLN 94 -8.977 11.764 1.597 725 HE21 GLN 94 1HE2 GLN 94 -10.646 11.195 3.319 726 HE22 GLN 94 2HE2 GLN 94 -11.580 12.580 3.873 727 H VAL 95 H VAL 95 -9.001 9.362 1.553 728 HA VAL 95 HA VAL 95 -7.120 9.306 -0.732 729 HB VAL 95 HB VAL 95 -9.106 7.095 -0.073 730 HG11 VAL 95 1HG1 VAL 95 -8.330 7.373 -2.517 731 HG12 VAL 95 2HG1 VAL 95 -6.715 6.919 -1.940 732 HG13 VAL 95 3HG1 VAL 95 -8.072 5.795 -1.769 733 HG21 VAL 95 3HG2 VAL 95 -7.031 5.697 0.408 734 HG22 VAL 95 1HG2 VAL 95 -6.120 7.214 0.476 735 HG23 VAL 95 2HG2 VAL 95 -7.439 6.905 1.628 736 H GLN 96 H GLN 96 -8.290 9.601 -2.756 737 HA GLN 96 HA GLN 96 -10.798 11.102 -2.601 738 HB2 GLN 96 1HB GLN 96 -9.069 12.209 -3.840 739 HB3 GLN 96 2HB GLN 96 -8.607 10.724 -4.704 740 HG2 GLN 96 1HG GLN 96 -10.831 10.749 -5.852 741 HG3 GLN 96 2HG GLN 96 -11.249 12.231 -4.990 742 HE21 GLN 96 1HE2 GLN 96 -11.583 12.522 -7.504 743 HE22 GLN 96 2HE2 GLN 96 -10.250 13.348 -8.295 744 H VAL 97 H VAL 97 -12.593 10.112 -3.529 745 HA VAL 97 HA VAL 97 -12.223 7.308 -4.435 746 HB VAL 97 HB VAL 97 -13.493 7.551 -2.586 747 HG11 VAL 97 1HG1 VAL 97 -15.391 8.254 -1.935 748 HG12 VAL 97 2HG1 VAL 97 -14.257 9.519 -2.344 749 HG13 VAL 97 3HG1 VAL 97 -15.663 9.062 -3.476 750 HG21 VAL 97 3HG2 VAL 97 -15.362 6.864 -4.890 751 HG22 VAL 97 1HG2 VAL 97 -14.132 5.757 -4.242 752 HG23 VAL 97 2HG2 VAL 97 -15.508 6.267 -3.231 753 H LEU 98 H LEU 98 -11.523 7.433 -6.353 754 HA LEU 98 HA LEU 98 -12.204 9.419 -8.339 755 HB2 LEU 98 1HB LEU 98 -10.469 6.989 -8.193 756 HB3 LEU 98 2HB LEU 98 -11.311 7.149 -9.712 757 HG LEU 98 HG LEU 98 -10.420 9.646 -9.659 758 HD11 LEU 98 1HD1 LEU 98 -8.274 9.856 -8.549 759 HD12 LEU 98 2HD1 LEU 98 -8.295 8.160 -8.027 760 HD13 LEU 98 3HD1 LEU 98 -9.448 9.338 -7.341 761 HD21 LEU 98 3HD2 LEU 98 -9.856 7.972 -11.358 762 HD22 LEU 98 1HD2 LEU 98 -8.659 7.225 -10.294 763 HD23 LEU 98 2HD2 LEU 98 -8.441 8.898 -10.915 764 H GLU 99 H GLU 99 -13.191 6.075 -7.576 765 HA GLU 99 HA GLU 99 -15.705 6.386 -9.050 766 HB2 GLU 99 1HB GLU 99 -13.650 4.181 -9.553 767 HB3 GLU 99 2HB GLU 99 -15.366 3.955 -9.855 768 HG2 GLU 99 1HG GLU 99 -15.306 5.016 -11.777 769 HG3 GLU 99 2HG GLU 99 -14.552 6.431 -11.064 770 H TRP 100 H TRP 100 -17.296 5.396 -7.958 771 HA TRP 100 HA TRP 100 -16.546 3.588 -5.698 772 HB2 TRP 100 1HB TRP 100 -17.779 5.702 -5.101 773 HB3 TRP 100 2HB TRP 100 -19.131 5.136 -6.066 774 HD1 TRP 100 HD TRP 100 -20.908 3.924 -4.523 775 HE1 TRP 100 1HE TRP 100 -20.872 2.596 -2.347 776 HE3 TRP 100 3HE TRP 100 -15.911 4.170 -3.525 777 HZ2 TRP 100 2HZ TRP 100 -18.942 1.878 -0.318 778 HZ3 TRP 100 3HZ TRP 100 -15.019 3.400 -1.382 779 HH2 TRP 100 HH TRP 100 -16.471 2.123 0.196 780 H GLU 101 H GLU 101 -17.408 1.522 -5.714 781 HA GLU 101 HA GLU 101 -19.445 0.854 -7.746 782 HB2 GLU 101 1HB GLU 101 -17.214 -0.960 -6.741 783 HB3 GLU 101 2HB GLU 101 -18.638 -1.435 -7.661 784 HG2 GLU 101 1HG GLU 101 -17.651 0.574 -9.249 785 HG3 GLU 101 2HG GLU 101 -16.178 -0.007 -8.479 786 H GLY 102 H GLY 102 -21.204 1.178 -6.258 787 HA2 GLY 102 2HA GLY 102 -22.394 -0.866 -5.265 788 HA3 GLY 102 1HA GLY 102 -21.241 -0.687 -3.932 789 H ASP 103 H ASP 103 -23.634 -0.693 -3.138 790 HA ASP 103 HA ASP 103 -24.906 1.880 -2.951 791 HB2 ASP 103 1HB ASP 103 -25.750 -0.571 -2.391 792 HB3 ASP 103 2HB ASP 103 -25.081 -0.242 -0.808 793 H GLY 104 H GLY 104 -24.873 3.124 -0.807 794 HA2 GLY 104 2HA GLY 104 -23.752 4.087 1.014 795 HA3 GLY 104 1HA GLY 104 -22.753 2.645 1.086 796 H ASP 105 H ASP 105 -23.222 5.560 -0.858 797 HA ASP 105 HA ASP 105 -20.472 5.715 -1.758 798 HB2 ASP 105 1HB ASP 105 -22.003 6.143 -3.492 799 HB3 ASP 105 2HB ASP 105 -22.934 7.281 -2.500 800 HA PRO 106 HA PRO 106 -20.071 8.402 1.992 801 HB2 PRO 106 1HB PRO 106 -17.344 8.643 1.941 802 HB3 PRO 106 2HB PRO 106 -18.193 7.196 2.564 803 HG2 PRO 106 1HG PRO 106 -17.078 7.644 -0.233 804 HG3 PRO 106 2HG PRO 106 -16.766 6.260 0.859 805 HD2 PRO 106 1HD PRO 106 -18.611 6.118 -1.063 806 HD3 PRO 106 2HD PRO 106 -18.951 5.416 0.552 807 H GLY 107 H GLY 107 -18.860 9.097 -1.401 808 HA2 GLY 107 2HA GLY 107 -19.586 11.557 -1.806 809 HA3 GLY 107 1HA GLY 107 -18.357 11.903 -0.592 810 H ASP 108 H ASP 108 -16.470 12.477 -1.497 811 HA ASP 108 HA ASP 108 -15.181 10.904 -3.705 812 HB2 ASP 108 1HB ASP 108 -14.988 13.928 -3.666 813 HB3 ASP 108 2HB ASP 108 -14.744 12.845 -5.025 814 H SER 109 H SER 109 -14.964 12.155 -0.608 815 HA SER 109 HA SER 109 -12.389 10.905 -0.982 816 HB2 SER 109 1HB SER 109 -11.401 12.259 0.899 817 HB3 SER 109 2HB SER 109 -11.453 12.999 -0.698 818 HG SER 109 HG SER 109 -13.255 14.203 -0.087 819 H VAL 110 H VAL 110 -11.673 9.751 0.794 820 HA VAL 110 HA VAL 110 -13.680 9.063 2.844 821 HB VAL 110 HB VAL 110 -13.471 6.724 2.382 822 HG11 VAL 110 1HG1 VAL 110 -13.897 8.011 -0.291 823 HG12 VAL 110 2HG1 VAL 110 -14.533 6.466 0.303 824 HG13 VAL 110 3HG1 VAL 110 -15.079 8.000 1.035 825 HG21 VAL 110 3HG2 VAL 110 -11.513 7.478 0.182 826 HG22 VAL 110 1HG2 VAL 110 -11.127 6.576 1.657 827 HG23 VAL 110 2HG2 VAL 110 -12.188 5.848 0.430 828 H GLN 111 H GLN 111 -12.690 7.704 4.543 829 HA GLN 111 HA GLN 111 -9.801 8.307 4.959 830 HB2 GLN 111 1HB GLN 111 -11.456 8.762 6.843 831 HB3 GLN 111 2HB GLN 111 -11.789 7.027 6.877 832 HG2 GLN 111 1HG GLN 111 -9.073 6.940 7.042 833 HG3 GLN 111 2HG GLN 111 -9.337 8.545 7.703 834 HE21 GLN 111 1HE2 GLN 111 -9.429 5.143 8.382 835 HE22 GLN 111 2HE2 GLN 111 -10.063 5.295 10.011 836 H CYS 112 H CYS 112 -8.444 6.651 4.227 837 HA CYS 112 HA CYS 112 -9.475 3.845 4.410 838 HB2 CYS 112 1HB CYS 112 -7.296 4.791 2.524 839 HB3 CYS 112 2HB CYS 112 -7.848 3.138 2.762 840 HG CYS 112 HG CYS 112 -10.487 3.850 2.172 841 H PHE 113 H PHE 113 -7.742 2.317 4.945 842 HA PHE 113 HA PHE 113 -5.613 3.430 6.673 843 HB2 PHE 113 1HB PHE 113 -6.547 0.575 6.236 844 HB3 PHE 113 2HB PHE 113 -5.328 1.067 7.377 845 HD1 PHE 113 2HD PHE 113 -6.054 2.909 9.157 846 HD2 PHE 113 1HD PHE 113 -8.821 0.403 6.982 847 HE1 PHE 113 2HE PHE 113 -7.833 3.409 10.810 848 HE2 PHE 113 1HE PHE 113 -10.577 0.910 8.615 849 HZ PHE 113 HZ PHE 113 -10.107 2.435 10.528 850 H VAL 114 H VAL 114 -3.448 3.127 6.068 851 HA VAL 114 HA VAL 114 -2.772 1.510 3.722 852 HB VAL 114 HB VAL 114 -1.854 4.407 4.101 853 HG11 VAL 114 1HG1 VAL 114 -0.643 4.120 1.956 854 HG12 VAL 114 2HG1 VAL 114 0.034 3.175 3.270 855 HG13 VAL 114 3HG1 VAL 114 -0.996 2.384 2.043 856 HG21 VAL 114 3HG2 VAL 114 -2.942 5.021 2.149 857 HG22 VAL 114 1HG2 VAL 114 -3.083 3.321 1.557 858 HG23 VAL 114 2HG2 VAL 114 -4.139 3.920 2.824 859 H TYR 115 H TYR 115 -0.575 0.781 3.941 860 HA TYR 115 HA TYR 115 0.377 0.644 6.724 861 HB2 TYR 115 1HB TYR 115 1.243 -0.754 4.168 862 HB3 TYR 115 2HB TYR 115 2.119 -0.884 5.695 863 HD1 TYR 115 1HD TYR 115 0.865 -1.631 7.798 864 HD2 TYR 115 2HD TYR 115 -0.715 -2.154 3.812 865 HE1 TYR 115 1HE TYR 115 -0.776 -3.228 8.675 866 HE2 TYR 115 2HE TYR 115 -2.360 -3.757 4.673 867 HH TYR 115 HH TYR 115 -2.310 -4.960 7.956 868 H THR 116 H THR 116 2.131 1.702 7.474 869 HA THR 116 HA THR 116 3.700 3.408 5.664 870 HB THR 116 HB THR 116 3.266 5.327 7.238 871 HG1 THR 116 1HG THR 116 2.481 4.357 9.068 872 HG21 THR 116 3HG2 THR 116 0.719 4.252 5.953 873 HG22 THR 116 1HG2 THR 116 2.040 5.088 5.103 874 HG23 THR 116 2HG2 THR 116 1.097 5.929 6.336 875 H THR 117 H THR 117 5.352 4.663 7.268 876 HA THR 117 HA THR 117 6.001 3.062 9.637 877 HB THR 117 HB THR 117 7.539 1.984 8.308 878 HG1 THR 117 1HG THR 117 9.471 2.707 8.894 879 HG21 THR 117 3HG2 THR 117 7.263 2.991 6.161 880 HG22 THR 117 1HG2 THR 117 8.984 3.125 6.561 881 HG23 THR 117 2HG2 THR 117 7.911 4.537 6.726 882 H ALA 118 H ALA 118 6.651 4.377 11.288 883 HA ALA 118 HA ALA 118 6.967 7.290 10.740 884 HB1 ALA 118 1HB ALA 118 5.183 6.759 12.315 885 HB2 ALA 118 2HB ALA 118 6.337 5.856 13.339 886 HB3 ALA 118 3HB ALA 118 6.515 7.608 13.117 887 H THR 119 H THR 119 8.784 4.441 11.132 888 HA THR 119 HA THR 119 10.646 5.412 13.148 889 HB THR 119 HB THR 119 11.051 2.794 13.070 890 HG1 THR 119 1HG THR 119 9.870 1.833 11.653 891 HG21 THR 119 3HG2 THR 119 8.400 4.003 13.970 892 HG22 THR 119 1HG2 THR 119 9.920 3.988 14.891 893 HG23 THR 119 2HG2 THR 119 9.093 2.462 14.529 894 H TYR 120 H TYR 120 10.838 6.134 10.209 895 HA TYR 120 HA TYR 120 12.888 4.505 9.060 896 HB2 TYR 120 1HB TYR 120 12.663 6.305 7.211 897 HB3 TYR 120 2HB TYR 120 11.269 5.314 7.598 898 HD1 TYR 120 2HD TYR 120 9.253 6.258 8.643 899 HD2 TYR 120 1HD TYR 120 12.675 8.712 7.774 900 HE1 TYR 120 2HE TYR 120 7.907 8.283 9.111 901 HE2 TYR 120 1HE TYR 120 11.328 10.756 8.303 902 HH TYR 120 HH TYR 120 7.936 10.574 9.403 903 H ALA 121 H ALA 121 14.874 5.320 8.103 904 HA ALA 121 HA ALA 121 16.552 6.903 9.870 905 HB1 ALA 121 1HB ALA 121 17.084 5.578 7.170 906 HB2 ALA 121 2HB ALA 121 18.317 6.177 8.295 907 HB3 ALA 121 3HB ALA 121 17.300 4.821 8.766 908 HA PRO 122 HA PRO 122 16.170 10.746 7.869 909 HB2 PRO 122 1HB PRO 122 18.679 11.893 7.838 910 HB3 PRO 122 2HB PRO 122 17.665 11.687 9.296 911 HG2 PRO 122 1HG PRO 122 19.891 9.892 8.302 912 HG3 PRO 122 2HG PRO 122 19.616 10.503 9.963 913 HD2 PRO 122 1HD PRO 122 18.839 8.023 9.225 914 HD3 PRO 122 2HD PRO 122 17.828 9.011 10.316 915 H GLU 123 H GLU 123 18.803 8.778 6.388 916 HA GLU 123 HA GLU 123 19.011 10.201 3.969 917 HB2 GLU 123 1HB GLU 123 19.732 8.002 3.022 918 HB3 GLU 123 2HB GLU 123 20.628 8.526 4.433 919 HG2 GLU 123 1HG GLU 123 18.246 6.813 5.063 920 HG3 GLU 123 2HG GLU 123 19.486 6.021 4.092 921 H TRP 124 H TRP 124 16.441 7.975 4.987 922 HA TRP 124 HA TRP 124 15.527 7.509 2.319 923 HB2 TRP 124 1HB TRP 124 14.132 7.202 5.000 924 HB3 TRP 124 2HB TRP 124 13.458 6.678 3.474 925 HD1 TRP 124 HD TRP 124 17.012 5.703 3.303 926 HE1 TRP 124 1HE TRP 124 17.282 3.200 3.799 927 HE3 TRP 124 3HE TRP 124 12.380 4.737 5.158 928 HZ2 TRP 124 2HZ TRP 124 15.735 1.092 4.993 929 HZ3 TRP 124 3HZ TRP 124 11.774 2.405 5.929 930 HH2 TRP 124 HH TRP 124 13.459 0.615 5.850 931 H LEU 125 H LEU 125 15.306 10.310 4.291 932 HA LEU 125 HA LEU 125 12.858 11.366 3.032 933 HB2 LEU 125 1HB LEU 125 15.042 12.674 4.729 934 HB3 LEU 125 2HB LEU 125 13.665 13.520 4.088 935 HG LEU 125 HG LEU 125 13.300 13.090 6.374 936 HD11 LEU 125 1HD1 LEU 125 11.122 12.154 6.330 937 HD12 LEU 125 2HD1 LEU 125 11.471 11.222 4.841 938 HD13 LEU 125 3HD1 LEU 125 11.373 12.992 4.787 939 HD21 LEU 125 3HD2 LEU 125 14.683 10.929 6.402 940 HD22 LEU 125 1HD2 LEU 125 13.203 10.101 5.969 941 HD23 LEU 125 2HD2 LEU 125 13.313 11.047 7.484 942 H PHE 126 H PHE 126 16.222 11.045 2.179 943 HA PHE 126 HA PHE 126 16.206 13.494 0.518 944 HB2 PHE 126 1HB PHE 126 18.439 11.503 0.937 945 HB3 PHE 126 2HB PHE 126 18.573 13.145 0.349 946 HD1 PHE 126 2HD PHE 126 16.560 14.174 2.762 947 HD2 PHE 126 1HD PHE 126 20.215 11.891 2.545 948 HE1 PHE 126 2HE PHE 126 17.041 14.706 5.125 949 HE2 PHE 126 1HE PHE 126 20.707 12.476 4.901 950 HZ PHE 126 HZ PHE 126 19.117 13.862 6.204 951 H LEU 127 H LEU 127 15.790 10.074 0.245 952 HA LEU 127 HA LEU 127 16.596 9.520 -2.416 953 HB2 LEU 127 1HB LEU 127 14.329 8.380 -0.720 954 HB3 LEU 127 2HB LEU 127 14.910 7.640 -2.201 955 HG LEU 127 HG LEU 127 16.489 7.991 0.373 956 HD11 LEU 127 1HD1 LEU 127 16.401 5.533 0.472 957 HD12 LEU 127 2HD1 LEU 127 15.457 5.498 -1.034 958 HD13 LEU 127 3HD1 LEU 127 14.767 6.218 0.430 959 HD21 LEU 127 3HD2 LEU 127 17.352 6.823 -2.294 960 HD22 LEU 127 1HD2 LEU 127 18.233 6.602 -0.751 961 HD23 LEU 127 2HD2 LEU 127 18.069 8.213 -1.427 962 HA PRO 128 HA PRO 128 13.505 11.550 -4.842 963 HB2 PRO 128 1HB PRO 128 13.074 9.876 -6.974 964 HB3 PRO 128 2HB PRO 128 14.576 10.826 -6.768 965 HG2 PRO 128 1HG PRO 128 14.091 7.923 -6.066 966 HG3 PRO 128 2HG PRO 128 15.494 8.646 -6.911 967 HD2 PRO 128 1HD PRO 128 15.540 8.056 -4.249 968 HD3 PRO 128 2HD PRO 128 16.409 9.459 -4.924 969 H TYR 129 H TYR 129 11.250 11.605 -4.969 970 HA TYR 129 HA TYR 129 9.765 9.458 -3.615 971 HB2 TYR 129 1HB TYR 129 8.930 12.136 -4.793 972 HB3 TYR 129 2HB TYR 129 7.873 11.058 -3.897 973 HD1 TYR 129 2HD TYR 129 9.479 10.186 -1.590 974 HD2 TYR 129 1HD TYR 129 9.229 14.067 -3.464 975 HE1 TYR 129 2HE TYR 129 10.079 11.256 0.550 976 HE2 TYR 129 1HE TYR 129 9.665 15.138 -1.294 977 HH TYR 129 HH TYR 129 9.588 13.497 1.773 978 H HIS 130 H HIS 130 7.705 8.671 -4.678 979 HA HIS 130 HA HIS 130 7.847 8.527 -7.639 980 HB2 HIS 130 1HB HIS 130 7.608 6.131 -5.775 981 HB3 HIS 130 2HB HIS 130 7.423 6.092 -7.520 982 HD1 HIS 130 1HD HIS 130 9.622 5.662 -8.894 983 HD2 HIS 130 2HD HIS 130 10.207 6.729 -4.859 984 HE1 HIS 130 1HE HIS 130 12.079 5.239 -8.398 985 H GLU 131 H GLU 131 5.853 8.683 -8.518 986 HA GLU 131 HA GLU 131 3.549 9.128 -6.861 987 HB2 GLU 131 1HB GLU 131 4.395 9.596 -9.597 988 HB3 GLU 131 2HB GLU 131 2.853 8.763 -9.651 989 HG2 GLU 131 1HG GLU 131 2.000 10.535 -7.933 990 HG3 GLU 131 2HG GLU 131 3.517 11.387 -8.322 991 H SER 132 H SER 132 4.725 6.167 -8.371 992 HA SER 132 HA SER 132 2.631 4.693 -7.170 993 HB2 SER 132 1HB SER 132 1.823 3.773 -9.568 994 HB3 SER 132 2HB SER 132 1.038 5.087 -8.719 995 HG SER 132 HG SER 132 1.488 6.368 -10.216 996 H TYR 133 H TYR 133 2.852 2.396 -7.516 997 HA TYR 133 HA TYR 133 5.640 1.662 -8.257 998 HB2 TYR 133 1HB TYR 133 5.003 1.602 -5.820 999 HB3 TYR 133 2HB TYR 133 3.799 0.377 -6.209 1000 HD1 TYR 133 2HD TYR 133 7.435 1.031 -7.045 1001 HD2 TYR 133 1HD TYR 133 4.510 -1.777 -5.564 1002 HE1 TYR 133 2HE TYR 133 9.212 -0.565 -6.629 1003 HE2 TYR 133 1HE TYR 133 6.324 -3.390 -5.071 1004 HH TYR 133 HH TYR 133 8.664 -3.450 -4.676 1005 H ASP 134 H ASP 134 5.894 0.224 -9.851 1006 HA ASP 134 HA ASP 134 3.689 -1.548 -10.632 1007 HB2 ASP 134 1HB ASP 134 4.634 -0.867 -13.061 1008 HB3 ASP 134 2HB ASP 134 3.183 -0.255 -12.303 1009 H SER 135 H SER 135 4.335 -3.504 -11.125 1010 HA SER 135 HA SER 135 7.017 -4.316 -10.579 1011 HB2 SER 135 1HB SER 135 4.840 -5.551 -10.163 1012 HB3 SER 135 2HB SER 135 4.782 -5.897 -11.899 1013 HG SER 135 HG SER 135 5.890 -7.517 -11.409 1014 H GLU 136 H GLU 136 5.460 -3.109 -13.354 1015 HA GLU 136 HA GLU 136 7.767 -3.693 -15.114 1016 HB2 GLU 136 1HB GLU 136 5.088 -3.184 -16.344 1017 HB3 GLU 136 2HB GLU 136 6.401 -4.228 -16.826 1018 HG2 GLU 136 1HG GLU 136 4.768 -5.739 -16.344 1019 HG3 GLU 136 2HG GLU 136 5.573 -5.741 -14.793 1020 H GLY 137 H GLY 137 8.356 -1.728 -13.669 1021 HA2 GLY 137 2HA GLY 137 7.329 0.839 -14.786 1022 HA3 GLY 137 1HA GLY 137 7.766 0.574 -13.089 1023 HA PRO 138 HA PRO 138 11.305 2.010 -15.980 1024 HB2 PRO 138 1HB PRO 138 11.976 4.400 -14.764 1025 HB3 PRO 138 2HB PRO 138 10.783 4.212 -16.080 1026 HG2 PRO 138 1HG PRO 138 10.275 4.373 -13.105 1027 HG3 PRO 138 2HG PRO 138 9.400 5.211 -14.427 1028 HD2 PRO 138 1HD PRO 138 8.430 2.951 -13.255 1029 HD3 PRO 138 2HD PRO 138 8.232 3.227 -15.006 1030 H HIS 139 H HIS 139 10.959 1.575 -12.601 1031 HA HIS 139 HA HIS 139 13.732 1.649 -11.798 1032 HB2 HIS 139 1HB HIS 139 12.729 1.213 -9.588 1033 HB3 HIS 139 2HB HIS 139 12.009 2.545 -10.464 1034 HD1 HIS 139 1HD HIS 139 11.004 -0.893 -9.267 1035 HD2 HIS 139 2HD HIS 139 9.493 2.634 -10.969 1036 HE1 HIS 139 1HE HIS 139 8.407 -1.026 -9.097 1037 H GLY 140 H GLY 140 14.419 0.043 -13.246 1038 HA2 GLY 140 2HA GLY 140 13.688 -2.603 -13.661 1039 HA3 GLY 140 1HA GLY 140 15.375 -2.123 -13.508 1040 H LEU 141 H LEU 141 15.105 -1.349 -10.734 1041 HA LEU 141 HA LEU 141 15.112 -3.725 -9.080 1042 HB2 LEU 141 1HB LEU 141 14.901 -1.924 -7.262 1043 HB3 LEU 141 2HB LEU 141 16.393 -1.978 -8.137 1044 HG LEU 141 HG LEU 141 14.401 -0.179 -9.398 1045 HD11 LEU 141 1HD1 LEU 141 13.702 0.137 -7.180 1046 HD12 LEU 141 2HD1 LEU 141 14.557 1.593 -7.721 1047 HD13 LEU 141 3HD1 LEU 141 15.363 0.456 -6.606 1048 HD21 LEU 141 3HD2 LEU 141 17.193 0.435 -8.414 1049 HD22 LEU 141 1HD2 LEU 141 16.224 1.342 -9.593 1050 HD23 LEU 141 2HD2 LEU 141 16.838 -0.274 -9.999 1051 H ARG 142 H ARG 142 13.119 -4.786 -9.516 1052 HA ARG 142 HA ARG 142 10.743 -3.423 -8.315 1053 HB2 ARG 142 1HB ARG 142 10.540 -6.098 -9.685 1054 HB3 ARG 142 2HB ARG 142 9.295 -4.889 -9.474 1055 HG2 ARG 142 1HG ARG 142 11.625 -4.648 -11.435 1056 HG3 ARG 142 2HG ARG 142 10.067 -5.351 -11.803 1057 HD2 ARG 142 1HD ARG 142 8.911 -3.263 -11.571 1058 HD3 ARG 142 2HD ARG 142 10.259 -2.550 -10.713 1059 HE ARG 142 HE ARG 142 10.971 -1.729 -12.579 1060 HH11 ARG 142 1HH1 ARG 142 9.520 -4.879 -13.585 1061 HH12 ARG 142 2HH1 ARG 142 10.291 -4.926 -15.125 1062 HH21 ARG 142 1HH2 ARG 142 11.642 -1.690 -14.848 1063 HH22 ARG 142 2HH2 ARG 142 11.502 -3.107 -15.841 1064 H TYR 143 H TYR 143 9.316 -5.344 -7.166 1065 HA TYR 143 HA TYR 143 10.767 -5.699 -4.760 1066 HB2 TYR 143 1HB TYR 143 8.287 -5.473 -4.928 1067 HB3 TYR 143 2HB TYR 143 8.213 -7.005 -5.755 1068 HD1 TYR 143 2HD TYR 143 10.172 -6.162 -2.591 1069 HD2 TYR 143 1HD TYR 143 6.962 -8.355 -4.426 1070 HE1 TYR 143 2HE TYR 143 9.788 -7.420 -0.479 1071 HE2 TYR 143 1HE TYR 143 6.466 -9.483 -2.260 1072 HH TYR 143 HH TYR 143 7.199 -8.603 0.551 1073 H ASN 144 H ASN 144 12.375 -7.152 -4.363 1074 HA ASN 144 HA ASN 144 12.305 -9.818 -5.739 1075 HB2 ASN 144 1HB ASN 144 14.642 -7.974 -5.098 1076 HB3 ASN 144 2HB ASN 144 14.832 -9.680 -5.505 1077 HD21 ASN 144 1HD2 ASN 144 15.995 -7.523 -6.904 1078 HD22 ASN 144 2HD2 ASN 144 15.487 -7.779 -8.570 1079 HA PRO 145 HA PRO 145 12.397 -10.269 -1.119 1080 HB2 PRO 145 1HB PRO 145 10.196 -11.841 -0.756 1081 HB3 PRO 145 2HB PRO 145 10.102 -10.083 -0.957 1082 HG2 PRO 145 1HG PRO 145 9.857 -12.175 -3.172 1083 HG3 PRO 145 2HG PRO 145 8.634 -10.946 -2.738 1084 HD2 PRO 145 1HD PRO 145 10.438 -10.581 -4.710 1085 HD3 PRO 145 2HD PRO 145 10.068 -9.234 -3.590 1086 H ARG 146 H ARG 146 12.258 -12.466 -3.881 1087 HA ARG 146 HA ARG 146 13.897 -14.469 -2.594 1088 HB2 ARG 146 1HB ARG 146 11.298 -14.701 -1.865 1089 HB3 ARG 146 2HB ARG 146 11.138 -15.450 -3.430 1090 HG2 ARG 146 1HG ARG 146 11.920 -17.389 -2.566 1091 HG3 ARG 146 2HG ARG 146 13.465 -16.625 -2.171 1092 HD2 ARG 146 1HD ARG 146 12.514 -15.754 -0.062 1093 HD3 ARG 146 2HD ARG 146 10.973 -16.541 -0.405 1094 HE ARG 146 HE ARG 146 13.308 -17.656 0.774 1095 HH11 ARG 146 1HH1 ARG 146 10.539 -18.557 -1.283 1096 HH12 ARG 146 2HH1 ARG 146 10.467 -20.190 -0.725 1097 HH21 ARG 146 1HH2 ARG 146 13.276 -19.890 1.451 1098 HH22 ARG 146 2HH2 ARG 146 12.079 -20.971 0.841 1099 H GLU 147 H GLU 147 14.335 -12.953 -4.886 1100 HA GLU 147 HA GLU 147 13.556 -14.640 -7.214 1101 HB2 GLU 147 1HB GLU 147 14.025 -11.753 -6.913 1102 HB3 GLU 147 2HB GLU 147 15.009 -12.456 -8.205 1103 HG2 GLU 147 1HG GLU 147 12.038 -13.006 -7.954 1104 HG3 GLU 147 2HG GLU 147 12.676 -11.635 -8.861 1105 H ASN 148 H ASN 148 14.828 -16.338 -7.123 1106 HA ASN 148 HA ASN 148 16.557 -17.715 -6.930 1107 HB2 ASN 148 1HB ASN 148 17.629 -15.454 -8.578 1108 HB3 ASN 148 2HB ASN 148 18.722 -16.744 -8.112 1109 HD21 ASN 148 1HD2 ASN 148 16.089 -15.992 -10.335 1110 HD22 ASN 148 2HD2 ASN 148 16.137 -17.616 -11.018 1111 H ARG 149 H ARG 149 16.141 -15.966 -4.665 1112 HA ARG 149 HA ARG 149 16.947 -15.438 -2.657 1113 HB2 ARG 149 1HB ARG 149 17.350 -18.055 -2.834 1114 HB3 ARG 149 2HB ARG 149 19.043 -17.611 -2.891 1115 HG2 ARG 149 1HG ARG 149 18.698 -17.895 -0.590 1116 HG3 ARG 149 2HG ARG 149 18.503 -16.150 -0.769 1117 HD2 ARG 149 1HD ARG 149 16.534 -16.506 0.330 1118 HD3 ARG 149 2HD ARG 149 15.938 -16.946 -1.277 1119 HE ARG 149 HE ARG 149 16.842 -18.733 0.910 1120 HH11 ARG 149 1HH1 ARG 149 15.094 -18.595 -2.262 1121 HH12 ARG 149 2HH1 ARG 149 14.513 -20.209 -2.102 1122 HH21 ARG 149 1HH2 ARG 149 16.344 -20.933 0.816 1123 HH22 ARG 149 2HH2 ARG 149 15.526 -21.579 -0.578 Start of MODEL 17 1 H1 MET 1 H MET 1 -14.926 -4.654 7.794 2 HA MET 1 HA MET 1 -16.257 -3.192 5.619 3 HB2 MET 1 1HB MET 1 -17.739 -4.513 7.403 4 HB3 MET 1 2HB MET 1 -17.495 -3.039 8.347 5 HG2 MET 1 1HG MET 1 -18.398 -3.189 5.438 6 HG3 MET 1 2HG MET 1 -19.509 -3.023 6.789 7 HE1 MET 1 3HE MET 1 -19.368 0.595 7.832 8 HE2 MET 1 1HE MET 1 -20.416 -0.816 7.553 9 HE3 MET 1 2HE MET 1 -19.013 -0.953 8.635 10 H ALA 2 H ALA 2 -14.010 -2.482 5.577 11 HA ALA 2 HA ALA 2 -13.438 -0.063 7.018 12 HB1 ALA 2 1HB ALA 2 -11.235 -0.981 7.873 13 HB2 ALA 2 2HB ALA 2 -12.643 -1.587 8.776 14 HB3 ALA 2 3HB ALA 2 -11.837 -2.621 7.571 15 H HIS 3 H HIS 3 -13.247 0.799 4.955 16 HA HIS 3 HA HIS 3 -12.312 -0.745 2.722 17 HB2 HIS 3 1HB HIS 3 -12.602 2.295 3.022 18 HB3 HIS 3 2HB HIS 3 -12.561 1.371 1.522 19 HD1 HIS 3 1HD HIS 3 -15.042 2.842 3.790 20 HD2 HIS 3 2HD HIS 3 -14.592 -0.646 1.519 21 HE1 HIS 3 1HE HIS 3 -17.412 1.965 3.369 22 H ILE 4 H ILE 4 -10.050 -1.035 2.273 23 HA ILE 4 HA ILE 4 -8.125 0.856 3.557 24 HB ILE 4 HB ILE 4 -6.487 -0.861 3.469 25 HG12 ILE 4 1HG1 ILE 4 -8.551 -2.921 2.639 26 HG13 ILE 4 2HG1 ILE 4 -7.547 -2.104 1.451 27 HG21 ILE 4 1HG2 ILE 4 -7.430 -2.339 5.263 28 HG22 ILE 4 2HG2 ILE 4 -7.868 -0.644 5.493 29 HG23 ILE 4 3HG2 ILE 4 -9.053 -1.772 4.859 30 HD11 ILE 4 3HD1 ILE 4 -5.506 -2.922 2.549 31 HD12 ILE 4 1HD1 ILE 4 -6.493 -3.792 3.752 32 HD13 ILE 4 2HD1 ILE 4 -6.571 -4.240 2.041 33 H PHE 5 H PHE 5 -6.049 0.994 2.200 34 HA PHE 5 HA PHE 5 -6.698 1.062 -0.714 35 HB2 PHE 5 1HB PHE 5 -6.123 3.144 0.615 36 HB3 PHE 5 2HB PHE 5 -4.501 2.525 0.751 37 HD1 PHE 5 2HD PHE 5 -7.165 3.872 -1.347 38 HD2 PHE 5 1HD PHE 5 -3.055 2.560 -1.342 39 HE1 PHE 5 2HE PHE 5 -6.752 5.176 -3.400 40 HE2 PHE 5 1HE PHE 5 -2.662 3.834 -3.448 41 HZ PHE 5 HZ PHE 5 -4.470 5.257 -4.365 42 H VAL 6 H VAL 6 -4.750 0.534 -2.105 43 HA VAL 6 HA VAL 6 -3.066 -1.566 -0.849 44 HB VAL 6 HB VAL 6 -4.741 -2.666 -2.165 45 HG11 VAL 6 1HG1 VAL 6 -5.378 -0.930 -3.786 46 HG12 VAL 6 2HG1 VAL 6 -3.801 -1.056 -4.574 47 HG13 VAL 6 3HG1 VAL 6 -4.921 -2.436 -4.580 48 HG21 VAL 6 3HG2 VAL 6 -3.327 -3.898 -3.689 49 HG22 VAL 6 1HG2 VAL 6 -2.074 -2.647 -3.631 50 HG23 VAL 6 2HG2 VAL 6 -2.469 -3.584 -2.164 51 H TYR 7 H TYR 7 -0.958 -1.303 -1.152 52 HA TYR 7 HA TYR 7 0.086 1.131 -2.016 53 HB2 TYR 7 1HB TYR 7 1.264 -0.301 -0.469 54 HB3 TYR 7 2HB TYR 7 1.287 -1.630 -1.607 55 HD1 TYR 7 2HD TYR 7 2.140 1.991 -2.211 56 HD2 TYR 7 1HD TYR 7 3.568 -2.077 -1.953 57 HE1 TYR 7 2HE TYR 7 4.176 2.650 -3.354 58 HE2 TYR 7 1HE TYR 7 5.672 -1.398 -3.064 59 HH TYR 7 HH TYR 7 6.200 1.921 -4.357 60 H GLY 8 H GLY 8 0.119 -1.964 -3.732 61 HA2 GLY 8 2HA GLY 8 0.077 -1.065 -6.441 62 HA3 GLY 8 1HA GLY 8 1.734 -1.031 -5.880 63 H THR 9 H THR 9 1.586 -3.130 -4.031 64 HA THR 9 HA THR 9 2.377 -5.363 -5.397 65 HB THR 9 HB THR 9 1.890 -6.168 -2.820 66 HG1 THR 9 1HG THR 9 1.656 -4.413 -1.524 67 HG21 THR 9 3HG2 THR 9 4.129 -5.838 -4.047 68 HG22 THR 9 1HG2 THR 9 4.137 -5.376 -2.332 69 HG23 THR 9 2HG2 THR 9 4.038 -4.131 -3.596 70 H LEU 10 H LEU 10 -0.956 -4.510 -4.550 71 HA LEU 10 HA LEU 10 -1.824 -7.124 -5.689 72 HB2 LEU 10 1HB LEU 10 -3.331 -5.997 -3.350 73 HB3 LEU 10 2HB LEU 10 -3.366 -7.564 -4.100 74 HG LEU 10 HG LEU 10 -0.819 -7.682 -3.270 75 HD11 LEU 10 1HD1 LEU 10 -0.498 -6.593 -1.095 76 HD12 LEU 10 2HD1 LEU 10 -2.088 -5.829 -1.197 77 HD13 LEU 10 3HD1 LEU 10 -0.793 -5.345 -2.300 78 HD21 LEU 10 3HD2 LEU 10 -2.483 -9.279 -2.544 79 HD22 LEU 10 1HD2 LEU 10 -3.111 -8.122 -1.343 80 HD23 LEU 10 2HD2 LEU 10 -1.450 -8.731 -1.221 81 H LYS 11 H LYS 11 -1.521 -4.538 -7.070 82 HA LYS 11 HA LYS 11 -4.364 -4.139 -7.857 83 HB2 LYS 11 1HB LYS 11 -4.244 -1.829 -8.018 84 HB3 LYS 11 2HB LYS 11 -3.760 -2.325 -6.425 85 HG2 LYS 11 1HG LYS 11 -2.076 -0.970 -6.615 86 HG3 LYS 11 2HG LYS 11 -1.320 -2.100 -7.756 87 HD2 LYS 11 1HD LYS 11 -2.158 -0.864 -9.652 88 HD3 LYS 11 2HD LYS 11 -3.204 0.123 -8.608 89 HE2 LYS 11 1HE LYS 11 -1.227 1.162 -7.565 90 HE3 LYS 11 2HE LYS 11 -0.155 0.163 -8.564 91 HZ1 LYS 11 3HZ LYS 11 -2.063 2.151 -9.646 92 HZ2 LYS 11 1HZ LYS 11 -0.986 1.264 -10.508 93 HZ3 LYS 11 2HZ LYS 11 -0.438 2.383 -9.463 94 H ARG 12 H ARG 12 -1.770 -5.481 -9.060 95 HA ARG 12 HA ARG 12 -2.510 -4.815 -11.761 96 HB2 ARG 12 1HB ARG 12 0.032 -3.750 -10.661 97 HB3 ARG 12 2HB ARG 12 0.289 -4.736 -12.094 98 HG2 ARG 12 1HG ARG 12 -1.536 -2.320 -11.952 99 HG3 ARG 12 2HG ARG 12 0.062 -2.442 -12.690 100 HD2 ARG 12 1HD ARG 12 -1.128 -4.505 -13.976 101 HD3 ARG 12 2HD ARG 12 -2.558 -3.535 -13.620 102 HE ARG 12 HE ARG 12 -0.205 -2.130 -14.751 103 HH11 ARG 12 1HH1 ARG 12 -3.325 -3.681 -15.689 104 HH12 ARG 12 2HH1 ARG 12 -3.208 -3.107 -17.302 105 HH21 ARG 12 1HH2 ARG 12 -0.171 -1.292 -16.823 106 HH22 ARG 12 2HH2 ARG 12 -1.647 -1.327 -17.738 107 H GLY 13 H GLY 13 0.653 -6.410 -11.031 108 HA2 GLY 13 2HA GLY 13 -0.671 -8.950 -10.663 109 HA3 GLY 13 1HA GLY 13 0.216 -8.725 -12.197 110 H GLN 14 H GLN 14 1.462 -7.064 -9.521 111 HA GLN 14 HA GLN 14 3.914 -8.107 -9.168 112 HB2 GLN 14 1HB GLN 14 1.937 -6.798 -7.352 113 HB3 GLN 14 2HB GLN 14 3.334 -7.519 -6.568 114 HG2 GLN 14 1HG GLN 14 3.720 -5.184 -6.978 115 HG3 GLN 14 2HG GLN 14 4.840 -6.155 -7.921 116 HE21 GLN 14 1HE2 GLN 14 1.532 -4.432 -8.421 117 HE22 GLN 14 2HE2 GLN 14 2.084 -3.958 -10.020 118 HA PRO 15 HA PRO 15 3.852 -12.219 -7.780 119 HB2 PRO 15 1HB PRO 15 5.922 -12.364 -5.917 120 HB3 PRO 15 2HB PRO 15 6.116 -12.262 -7.686 121 HG2 PRO 15 1HG PRO 15 6.300 -10.022 -5.648 122 HG3 PRO 15 2HG PRO 15 7.334 -10.337 -7.074 123 HD2 PRO 15 1HD PRO 15 5.344 -8.499 -7.092 124 HD3 PRO 15 2HD PRO 15 5.743 -9.441 -8.543 125 H ASN 16 H ASN 16 2.674 -10.007 -5.686 126 HA ASN 16 HA ASN 16 2.468 -11.818 -3.325 127 HB2 ASN 16 1HB ASN 16 2.091 -8.789 -3.361 128 HB3 ASN 16 2HB ASN 16 2.470 -9.835 -1.986 129 HD21 ASN 16 1HD2 ASN 16 3.833 -7.685 -4.148 130 HD22 ASN 16 2HD2 ASN 16 5.485 -8.261 -4.173 131 H HIS 17 H HIS 17 0.582 -10.575 -5.882 132 HA HIS 17 HA HIS 17 -1.745 -9.685 -4.589 133 HB2 HIS 17 1HB HIS 17 -0.983 -9.591 -7.064 134 HB3 HIS 17 2HB HIS 17 -1.664 -11.210 -7.198 135 HD1 HIS 17 1HD HIS 17 -2.611 -7.841 -8.003 136 HD2 HIS 17 2HD HIS 17 -4.479 -11.160 -6.198 137 HE1 HIS 17 1HE HIS 17 -5.145 -7.476 -8.218 138 H LYS 18 H LYS 18 -0.686 -13.063 -5.172 139 HA LYS 18 HA LYS 18 -3.122 -14.343 -4.797 140 HB2 LYS 18 1HB LYS 18 -2.006 -16.297 -4.171 141 HB3 LYS 18 2HB LYS 18 -1.057 -15.510 -5.411 142 HG2 LYS 18 1HG LYS 18 -0.288 -15.106 -2.479 143 HG3 LYS 18 2HG LYS 18 -0.014 -16.653 -3.247 144 HD2 LYS 18 1HD LYS 18 1.058 -14.828 -5.076 145 HD3 LYS 18 2HD LYS 18 1.444 -14.117 -3.520 146 HE2 LYS 18 1HE LYS 18 2.515 -16.183 -2.767 147 HE3 LYS 18 2HE LYS 18 1.952 -17.060 -4.188 148 HZ1 LYS 18 3HZ LYS 18 4.346 -16.052 -4.053 149 HZ2 LYS 18 1HZ LYS 18 3.607 -14.729 -4.703 150 HZ3 LYS 18 2HZ LYS 18 3.541 -16.189 -5.463 151 H VAL 19 H VAL 19 -1.330 -12.696 -2.240 152 HA VAL 19 HA VAL 19 -2.344 -14.309 -0.145 153 HB VAL 19 HB VAL 19 -1.350 -12.629 1.299 154 HG11 VAL 19 1HG1 VAL 19 0.100 -14.261 0.031 155 HG12 VAL 19 2HG1 VAL 19 0.419 -13.011 -1.178 156 HG13 VAL 19 3HG1 VAL 19 0.933 -12.776 0.509 157 HG21 VAL 19 3HG2 VAL 19 -1.806 -10.521 0.660 158 HG22 VAL 19 1HG2 VAL 19 -0.162 -10.648 0.040 159 HG23 VAL 19 2HG2 VAL 19 -1.556 -10.862 -1.048 160 H MET 20 H MET 20 -4.015 -11.992 -2.014 161 HA MET 20 HA MET 20 -6.164 -11.678 0.016 162 HB2 MET 20 1HB MET 20 -7.045 -9.932 -1.336 163 HB3 MET 20 2HB MET 20 -5.347 -9.598 -0.978 164 HG2 MET 20 1HG MET 20 -4.652 -9.910 -3.135 165 HG3 MET 20 2HG MET 20 -6.011 -10.940 -3.585 166 HE1 MET 20 3HE MET 20 -6.417 -6.377 -2.953 167 HE2 MET 20 1HE MET 20 -6.881 -7.519 -1.678 168 HE3 MET 20 2HE MET 20 -5.183 -7.407 -2.218 169 H LEU 21 H LEU 21 -5.333 -13.902 -2.265 170 HA LEU 21 HA LEU 21 -8.054 -14.287 -3.404 171 HB2 LEU 21 1HB LEU 21 -5.436 -15.567 -4.234 172 HB3 LEU 21 2HB LEU 21 -6.986 -15.668 -5.056 173 HG LEU 21 HG LEU 21 -5.213 -13.214 -4.824 174 HD11 LEU 21 1HD1 LEU 21 -4.916 -13.500 -7.225 175 HD12 LEU 21 2HD1 LEU 21 -6.044 -14.872 -7.231 176 HD13 LEU 21 3HD1 LEU 21 -4.507 -15.029 -6.382 177 HD21 LEU 21 3HD2 LEU 21 -7.512 -12.428 -4.807 178 HD22 LEU 21 1HD2 LEU 21 -7.935 -13.491 -6.167 179 HD23 LEU 21 2HD2 LEU 21 -6.817 -12.129 -6.396 180 H ASP 22 H ASP 22 -6.543 -15.110 -0.680 181 HA ASP 22 HA ASP 22 -7.120 -18.042 -0.697 182 HB2 ASP 22 1HB ASP 22 -4.975 -16.487 0.746 183 HB3 ASP 22 2HB ASP 22 -5.354 -18.176 1.058 184 H HIS 23 H HIS 23 -9.264 -17.266 -0.188 185 HA HIS 23 HA HIS 23 -10.007 -15.337 1.606 186 HB2 HIS 23 1HB HIS 23 -11.357 -16.287 -0.139 187 HB3 HIS 23 2HB HIS 23 -11.476 -17.819 0.725 188 HD1 HIS 23 1HD HIS 23 -14.027 -17.844 1.042 189 HD2 HIS 23 2HD HIS 23 -12.252 -14.185 2.159 190 HE1 HIS 23 1HE HIS 23 -15.852 -16.432 2.121 191 H SER 24 H SER 24 -8.805 -18.462 2.596 192 HA SER 24 HA SER 24 -9.931 -18.547 5.250 193 HB2 SER 24 1HB SER 24 -7.591 -19.738 3.945 194 HB3 SER 24 2HB SER 24 -7.654 -19.730 5.715 195 HG SER 24 HG SER 24 -9.411 -20.994 3.870 196 H HIS 25 H HIS 25 -7.181 -16.741 3.794 197 HA HIS 25 HA HIS 25 -6.132 -15.751 6.297 198 HB2 HIS 25 1HB HIS 25 -5.987 -14.553 3.506 199 HB3 HIS 25 2HB HIS 25 -5.003 -14.121 4.873 200 HD1 HIS 25 1HD HIS 25 -3.633 -14.987 2.244 201 HD2 HIS 25 2HD HIS 25 -4.537 -17.545 5.460 202 HE1 HIS 25 1HE HIS 25 -2.159 -17.063 1.961 203 H GLY 26 H GLY 26 -8.804 -14.779 4.114 204 HA2 GLY 26 2HA GLY 26 -10.470 -13.550 5.684 205 HA3 GLY 26 1HA GLY 26 -9.228 -12.287 5.608 206 H LEU 27 H LEU 27 -11.370 -11.280 4.726 207 HA LEU 27 HA LEU 27 -11.922 -11.987 1.925 208 HB2 LEU 27 1HB LEU 27 -13.710 -11.737 3.656 209 HB3 LEU 27 2HB LEU 27 -13.222 -10.053 3.858 210 HG LEU 27 HG LEU 27 -13.871 -9.552 1.511 211 HD11 LEU 27 1HD1 LEU 27 -15.182 -11.331 0.283 212 HD12 LEU 27 2HD1 LEU 27 -14.647 -12.498 1.504 213 HD13 LEU 27 3HD1 LEU 27 -13.464 -11.729 0.441 214 HD21 LEU 27 3HD2 LEU 27 -16.296 -9.833 1.840 215 HD22 LEU 27 1HD2 LEU 27 -15.483 -9.290 3.320 216 HD23 LEU 27 2HD2 LEU 27 -15.965 -10.990 3.160 217 H ALA 28 H ALA 28 -11.664 -10.566 0.174 218 HA ALA 28 HA ALA 28 -11.165 -7.733 0.719 219 HB1 ALA 28 1HB ALA 28 -9.543 -9.395 -1.258 220 HB2 ALA 28 2HB ALA 28 -9.391 -7.648 -0.961 221 HB3 ALA 28 3HB ALA 28 -8.949 -8.797 0.314 222 H ALA 29 H ALA 29 -12.231 -6.425 -0.831 223 HA ALA 29 HA ALA 29 -13.577 -7.693 -3.145 224 HB1 ALA 29 1HB ALA 29 -15.715 -6.765 -2.525 225 HB2 ALA 29 2HB ALA 29 -15.130 -7.638 -1.093 226 HB3 ALA 29 3HB ALA 29 -15.015 -5.879 -1.161 227 H PHE 30 H PHE 30 -13.664 -6.306 -4.879 228 HA PHE 30 HA PHE 30 -12.037 -3.894 -4.851 229 HB2 PHE 30 1HB PHE 30 -12.338 -5.629 -6.720 230 HB3 PHE 30 2HB PHE 30 -13.858 -4.850 -7.098 231 HD1 PHE 30 1HD PHE 30 -13.346 -1.961 -7.063 232 HD2 PHE 30 2HD PHE 30 -10.677 -5.148 -8.259 233 HE1 PHE 30 1HE PHE 30 -12.034 -0.376 -8.387 234 HE2 PHE 30 2HE PHE 30 -9.461 -3.557 -9.698 235 HZ PHE 30 HZ PHE 30 -10.146 -1.182 -9.800 236 H ARG 31 H ARG 31 -12.967 -2.323 -3.500 237 HA ARG 31 HA ARG 31 -15.787 -1.435 -4.008 238 HB2 ARG 31 1HB ARG 31 -15.242 -2.480 -1.794 239 HB3 ARG 31 2HB ARG 31 -14.004 -1.242 -1.544 240 HG2 ARG 31 1HG ARG 31 -15.844 -0.462 -0.306 241 HG3 ARG 31 2HG ARG 31 -15.904 0.478 -1.781 242 HD2 ARG 31 1HD ARG 31 -18.097 -0.127 -1.390 243 HD3 ARG 31 2HD ARG 31 -17.538 -1.197 -2.667 244 HE ARG 31 HE ARG 31 -17.766 -1.982 0.224 245 HH11 ARG 31 1HH1 ARG 31 -18.676 -2.486 -3.190 246 HH12 ARG 31 2HH1 ARG 31 -19.252 -4.074 -2.979 247 HH21 ARG 31 1HH2 ARG 31 -18.567 -4.163 0.556 248 HH22 ARG 31 2HH2 ARG 31 -19.190 -5.023 -0.834 249 H GLY 32 H GLY 32 -14.356 -0.532 -5.889 250 HA2 GLY 32 2HA GLY 32 -14.399 1.595 -6.854 251 HA3 GLY 32 1HA GLY 32 -14.179 2.316 -5.245 252 H ARG 33 H ARG 33 -12.764 3.460 -6.916 253 HA ARG 33 HA ARG 33 -9.996 2.487 -6.379 254 HB2 ARG 33 1HB ARG 33 -11.128 3.288 -9.021 255 HB3 ARG 33 2HB ARG 33 -9.546 3.955 -8.647 256 HG2 ARG 33 1HG ARG 33 -8.645 1.711 -8.227 257 HG3 ARG 33 2HG ARG 33 -10.254 1.005 -8.472 258 HD2 ARG 33 1HD ARG 33 -8.969 0.665 -10.479 259 HD3 ARG 33 2HD ARG 33 -10.220 1.884 -10.797 260 HE ARG 33 HE ARG 33 -7.872 3.199 -9.954 261 HH11 ARG 33 1HH1 ARG 33 -9.586 1.802 -12.664 262 HH12 ARG 33 2HH1 ARG 33 -8.751 2.606 -13.917 263 HH21 ARG 33 1HH2 ARG 33 -6.441 4.133 -11.572 264 HH22 ARG 33 2HH2 ARG 33 -7.167 4.368 -13.115 265 H GLY 34 H GLY 34 -8.316 4.298 -6.489 266 HA2 GLY 34 2HA GLY 34 -9.223 6.931 -6.228 267 HA3 GLY 34 1HA GLY 34 -9.095 6.234 -4.604 268 H CYS 35 H CYS 35 -7.671 8.305 -4.995 269 HA CYS 35 HA CYS 35 -4.857 7.307 -5.116 270 HB2 CYS 35 1HB CYS 35 -5.896 9.920 -6.260 271 HB3 CYS 35 2HB CYS 35 -4.219 9.373 -6.189 272 HG CYS 35 HG CYS 35 -5.138 9.257 -8.642 273 H THR 36 H THR 36 -3.607 8.077 -3.334 274 HA THR 36 HA THR 36 -4.968 9.404 -1.175 275 HB THR 36 HB THR 36 -2.458 9.542 -0.418 276 HG1 THR 36 1HG THR 36 -1.191 8.904 -1.884 277 HG21 THR 36 3HG2 THR 36 -3.791 6.873 -0.891 278 HG22 THR 36 1HG2 THR 36 -4.028 7.949 0.523 279 HG23 THR 36 2HG2 THR 36 -2.427 7.218 0.231 280 H VAL 37 H VAL 37 -5.711 11.442 -1.653 281 HA VAL 37 HA VAL 37 -4.185 13.267 -3.327 282 HB VAL 37 HB VAL 37 -5.906 14.909 -2.277 283 HG11 VAL 37 1HG1 VAL 37 -5.759 14.248 -4.608 284 HG12 VAL 37 2HG1 VAL 37 -6.568 12.708 -4.271 285 HG13 VAL 37 3HG1 VAL 37 -7.445 14.264 -4.111 286 HG21 VAL 37 3HG2 VAL 37 -7.436 12.331 -1.785 287 HG22 VAL 37 1HG2 VAL 37 -6.822 13.427 -0.523 288 HG23 VAL 37 2HG2 VAL 37 -8.041 13.990 -1.670 289 H GLU 38 H GLU 38 -4.317 12.530 0.047 290 HA GLU 38 HA GLU 38 -2.403 14.577 0.876 291 HB2 GLU 38 1HB GLU 38 -3.314 11.899 1.945 292 HB3 GLU 38 2HB GLU 38 -1.778 12.622 2.491 293 HG2 GLU 38 1HG GLU 38 -2.770 14.522 3.371 294 HG3 GLU 38 2HG GLU 38 -4.227 14.360 2.442 295 H SER 39 H SER 39 -0.865 14.802 -0.657 296 HA SER 39 HA SER 39 0.573 12.762 -1.976 297 HB2 SER 39 1HB SER 39 1.795 15.330 -0.931 298 HB3 SER 39 2HB SER 39 2.227 14.438 -2.387 299 HG SER 39 HG SER 39 0.602 15.313 -3.451 300 H PHE 40 H PHE 40 2.392 11.474 -1.211 301 HA PHE 40 HA PHE 40 3.196 11.782 1.664 302 HB2 PHE 40 1HB PHE 40 1.965 9.338 0.268 303 HB3 PHE 40 2HB PHE 40 2.986 9.250 1.681 304 HD1 PHE 40 2HD PHE 40 2.230 10.742 3.788 305 HD2 PHE 40 1HD PHE 40 -0.339 9.150 0.725 306 HE1 PHE 40 2HE PHE 40 0.329 10.651 5.405 307 HE2 PHE 40 1HE PHE 40 -2.203 9.082 2.296 308 HZ PHE 40 HZ PHE 40 -1.900 9.707 4.652 309 HA PRO 41 HA PRO 41 7.111 10.783 -0.273 310 HB2 PRO 41 1HB PRO 41 8.462 9.773 1.939 311 HB3 PRO 41 2HB PRO 41 8.111 11.497 1.754 312 HG2 PRO 41 1HG PRO 41 6.528 9.405 3.234 313 HG3 PRO 41 2HG PRO 41 6.975 11.063 3.805 314 HD2 PRO 41 1HD PRO 41 4.546 10.509 2.895 315 HD3 PRO 41 2HD PRO 41 5.354 12.043 2.452 316 H LEU 42 H LEU 42 6.533 9.000 -1.724 317 HA LEU 42 HA LEU 42 6.697 6.266 -0.584 318 HB2 LEU 42 1HB LEU 42 4.899 6.630 -2.166 319 HB3 LEU 42 2HB LEU 42 6.003 7.351 -3.341 320 HG LEU 42 HG LEU 42 7.135 5.202 -3.690 321 HD11 LEU 42 1HD1 LEU 42 6.367 3.148 -2.620 322 HD12 LEU 42 2HD1 LEU 42 5.162 4.051 -1.660 323 HD13 LEU 42 3HD1 LEU 42 6.902 4.241 -1.395 324 HD21 LEU 42 3HD2 LEU 42 5.105 5.768 -5.020 325 HD22 LEU 42 1HD2 LEU 42 4.115 4.889 -3.856 326 HD23 LEU 42 2HD2 LEU 42 5.334 4.028 -4.840 327 H VAL 43 H VAL 43 8.732 5.361 -0.348 328 HA VAL 43 HA VAL 43 10.792 6.107 -2.380 329 HB VAL 43 HB VAL 43 12.412 6.238 -0.555 330 HG11 VAL 43 1HG1 VAL 43 11.743 8.433 0.295 331 HG12 VAL 43 2HG1 VAL 43 11.303 8.270 -1.407 332 HG13 VAL 43 3HG1 VAL 43 10.064 8.117 -0.124 333 HG21 VAL 43 3HG2 VAL 43 11.685 6.520 1.797 334 HG22 VAL 43 1HG2 VAL 43 10.037 6.036 1.358 335 HG23 VAL 43 2HG2 VAL 43 11.378 4.880 1.214 336 H ILE 44 H ILE 44 12.292 4.447 -2.922 337 HA ILE 44 HA ILE 44 11.446 1.724 -2.147 338 HB ILE 44 HB ILE 44 13.231 2.581 -4.435 339 HG12 ILE 44 1HG1 ILE 44 10.274 1.793 -4.451 340 HG13 ILE 44 2HG1 ILE 44 10.871 3.434 -4.652 341 HG21 ILE 44 1HG2 ILE 44 11.818 -0.092 -3.936 342 HG22 ILE 44 2HG2 ILE 44 12.998 0.268 -5.196 343 HG23 ILE 44 3HG2 ILE 44 13.510 0.170 -3.516 344 HD11 ILE 44 3HD1 ILE 44 11.339 1.153 -6.582 345 HD12 ILE 44 1HD1 ILE 44 10.276 2.552 -6.783 346 HD13 ILE 44 2HD1 ILE 44 12.029 2.797 -6.724 347 H ALA 45 H ALA 45 12.551 0.920 -0.387 348 HA ALA 45 HA ALA 45 15.431 1.627 -0.116 349 HB1 ALA 45 1HB ALA 45 13.448 1.101 2.113 350 HB2 ALA 45 2HB ALA 45 15.143 1.574 2.259 351 HB3 ALA 45 3HB ALA 45 13.970 2.724 1.595 352 H GLY 46 H GLY 46 16.349 -0.028 1.529 353 HA2 GLY 46 2HA GLY 46 16.824 -1.984 2.350 354 HA3 GLY 46 1HA GLY 46 15.208 -2.526 1.909 355 H GLU 47 H GLU 47 17.366 -4.131 1.980 356 HA GLU 47 HA GLU 47 18.831 -4.617 -0.322 357 HB2 GLU 47 1HB GLU 47 17.997 -6.601 1.802 358 HB3 GLU 47 2HB GLU 47 19.346 -6.745 0.681 359 HG2 GLU 47 1HG GLU 47 20.462 -6.071 2.567 360 HG3 GLU 47 2HG GLU 47 20.202 -4.511 1.797 361 H HIS 48 H HIS 48 15.537 -5.582 0.237 362 HA HIS 48 HA HIS 48 15.677 -7.259 -2.212 363 HB2 HIS 48 1HB HIS 48 13.940 -7.434 0.242 364 HB3 HIS 48 2HB HIS 48 13.302 -8.036 -1.242 365 HD1 HIS 48 1HD HIS 48 14.608 -10.192 -2.431 366 HD2 HIS 48 2HD HIS 48 15.582 -8.983 1.499 367 HE1 HIS 48 1HE HIS 48 15.843 -12.134 -1.370 368 H ASN 49 H ASN 49 15.231 -4.106 -1.712 369 HA ASN 49 HA ASN 49 14.091 -2.487 -2.648 370 HB2 ASN 49 1HB ASN 49 13.102 -4.495 -4.665 371 HB3 ASN 49 2HB ASN 49 13.239 -2.758 -4.896 372 HD21 ASN 49 1HD2 ASN 49 15.561 -1.852 -4.892 373 HD22 ASN 49 2HD2 ASN 49 16.791 -2.951 -5.484 374 H ILE 50 H ILE 50 13.011 -2.878 -0.545 375 HA ILE 50 HA ILE 50 10.125 -3.493 -0.719 376 HB ILE 50 HB ILE 50 11.984 -3.378 1.688 377 HG12 ILE 50 1HG1 ILE 50 10.632 -5.688 0.224 378 HG13 ILE 50 2HG1 ILE 50 12.368 -5.365 0.266 379 HG21 ILE 50 1HG2 ILE 50 9.073 -4.246 1.550 380 HG22 ILE 50 2HG2 ILE 50 10.066 -4.098 3.003 381 HG23 ILE 50 3HG2 ILE 50 9.584 -2.648 2.134 382 HD11 ILE 50 3HD1 ILE 50 10.614 -6.303 2.543 383 HD12 ILE 50 1HD1 ILE 50 12.043 -7.085 1.839 384 HD13 ILE 50 2HD1 ILE 50 12.218 -5.598 2.807 385 HA PRO 51 HA PRO 51 10.402 1.074 -0.563 386 HB2 PRO 51 1HB PRO 51 7.689 1.141 -1.602 387 HB3 PRO 51 2HB PRO 51 9.173 1.728 -2.382 388 HG2 PRO 51 1HG PRO 51 7.699 -0.768 -2.848 389 HG3 PRO 51 2HG PRO 51 8.980 -0.048 -3.847 390 HD2 PRO 51 1HD PRO 51 9.163 -2.332 -2.230 391 HD3 PRO 51 2HD PRO 51 10.532 -1.411 -2.885 392 H TRP 52 H TRP 52 9.222 2.497 0.762 393 HA TRP 52 HA TRP 52 7.266 1.301 2.633 394 HB2 TRP 52 1HB TRP 52 9.530 3.135 3.550 395 HB3 TRP 52 2HB TRP 52 8.296 2.383 4.533 396 HD1 TRP 52 HD TRP 52 11.215 1.196 2.276 397 HE1 TRP 52 1HE TRP 52 12.220 -0.948 3.251 398 HE3 TRP 52 3HE TRP 52 8.267 0.706 6.436 399 HZ2 TRP 52 2HZ TRP 52 11.741 -2.701 5.396 400 HZ3 TRP 52 3HZ TRP 52 8.571 -1.203 7.916 401 HH2 TRP 52 HH TRP 52 10.291 -2.971 7.420 402 H LEU 53 H LEU 53 6.045 3.192 3.833 403 HA LEU 53 HA LEU 53 6.132 5.613 2.208 404 HB2 LEU 53 1HB LEU 53 4.425 4.035 1.338 405 HB3 LEU 53 2HB LEU 53 3.690 4.002 2.945 406 HG LEU 53 HG LEU 53 2.876 5.427 1.072 407 HD11 LEU 53 1HD1 LEU 53 1.634 6.939 2.369 408 HD12 LEU 53 2HD1 LEU 53 2.827 6.834 3.695 409 HD13 LEU 53 3HD1 LEU 53 1.819 5.426 3.255 410 HD21 LEU 53 3HD2 LEU 53 4.576 7.654 1.795 411 HD22 LEU 53 1HD2 LEU 53 3.375 7.430 0.465 412 HD23 LEU 53 2HD2 LEU 53 4.854 6.499 0.453 413 H LEU 54 H LEU 54 6.443 7.090 3.503 414 HA LEU 54 HA LEU 54 6.145 6.656 6.377 415 HB2 LEU 54 1HB LEU 54 7.348 9.118 5.128 416 HB3 LEU 54 2HB LEU 54 7.658 8.381 6.636 417 HG LEU 54 HG LEU 54 9.343 7.652 5.712 418 HD11 LEU 54 1HD1 LEU 54 8.176 5.500 5.942 419 HD12 LEU 54 2HD1 LEU 54 9.732 5.522 5.103 420 HD13 LEU 54 3HD1 LEU 54 8.250 5.428 4.154 421 HD21 LEU 54 3HD2 LEU 54 8.681 7.644 2.888 422 HD22 LEU 54 1HD2 LEU 54 10.279 7.535 3.644 423 HD23 LEU 54 2HD2 LEU 54 9.339 9.023 3.835 424 H TYR 55 H TYR 55 5.047 8.036 7.791 425 HA TYR 55 HA TYR 55 2.637 9.063 6.531 426 HB2 TYR 55 1HB TYR 55 2.598 7.728 8.624 427 HB3 TYR 55 2HB TYR 55 3.358 9.057 9.478 428 HD1 TYR 55 1HD TYR 55 0.574 8.410 7.044 429 HD2 TYR 55 2HD TYR 55 1.836 10.521 10.558 430 HE1 TYR 55 1HE TYR 55 -1.681 9.465 7.171 431 HE2 TYR 55 2HE TYR 55 -0.425 11.606 10.702 432 HH TYR 55 HH TYR 55 -3.089 10.849 8.431 433 H LEU 56 H LEU 56 3.409 10.736 5.256 434 HA LEU 56 HA LEU 56 3.769 13.287 6.720 435 HB2 LEU 56 1HB LEU 56 5.929 12.117 5.806 436 HB3 LEU 56 2HB LEU 56 5.449 12.916 4.368 437 HG LEU 56 HG LEU 56 6.691 14.045 6.773 438 HD11 LEU 56 1HD1 LEU 56 7.269 14.253 4.357 439 HD12 LEU 56 2HD1 LEU 56 7.098 15.852 5.158 440 HD13 LEU 56 3HD1 LEU 56 5.733 15.177 4.215 441 HD21 LEU 56 3HD2 LEU 56 4.189 15.598 5.856 442 HD22 LEU 56 1HD2 LEU 56 5.527 16.280 6.780 443 HD23 LEU 56 2HD2 LEU 56 4.516 15.048 7.504 444 HA PRO 57 HA PRO 57 0.435 13.498 3.475 445 HB2 PRO 57 1HB PRO 57 -1.406 14.795 5.034 446 HB3 PRO 57 2HB PRO 57 -1.147 13.023 5.111 447 HG2 PRO 57 1HG PRO 57 -0.166 15.177 6.977 448 HG3 PRO 57 2HG PRO 57 -0.794 13.553 7.377 449 HD2 PRO 57 1HD PRO 57 1.928 14.228 7.182 450 HD3 PRO 57 2HD PRO 57 1.272 12.567 6.989 451 H GLY 58 H GLY 58 1.059 14.914 2.037 452 HA2 GLY 58 2HA GLY 58 0.409 17.173 1.244 453 HA3 GLY 58 1HA GLY 58 1.079 17.837 2.738 454 H LYS 59 H LYS 59 3.092 15.243 1.502 455 HA LYS 59 HA LYS 59 4.855 17.143 0.042 456 HB2 LYS 59 1HB LYS 59 5.263 16.675 2.564 457 HB3 LYS 59 2HB LYS 59 5.533 14.999 2.076 458 HG2 LYS 59 1HG LYS 59 7.697 15.678 1.909 459 HG3 LYS 59 2HG LYS 59 7.150 16.223 0.315 460 HD2 LYS 59 1HD LYS 59 7.318 17.843 2.867 461 HD3 LYS 59 2HD LYS 59 8.437 17.940 1.479 462 HE2 LYS 59 1HE LYS 59 6.535 18.724 0.060 463 HE3 LYS 59 2HE LYS 59 5.519 18.777 1.514 464 HZ1 LYS 59 3HZ LYS 59 7.948 20.367 0.981 465 HZ2 LYS 59 1HZ LYS 59 7.166 20.363 2.438 466 HZ3 LYS 59 2HZ LYS 59 6.431 20.910 1.041 467 H GLY 60 H GLY 60 6.088 15.980 -1.697 468 HA2 GLY 60 2HA GLY 60 6.692 14.178 -3.001 469 HA3 GLY 60 1HA GLY 60 5.907 13.069 -1.861 470 H HIS 61 H HIS 61 4.317 11.913 -3.050 471 HA HIS 61 HA HIS 61 2.718 13.467 -5.020 472 HB2 HIS 61 1HB HIS 61 4.115 10.847 -5.646 473 HB3 HIS 61 2HB HIS 61 3.115 11.816 -6.734 474 HD1 HIS 61 1HD HIS 61 4.133 14.487 -6.997 475 HD2 HIS 61 2HD HIS 61 6.674 11.322 -5.873 476 HE1 HIS 61 1HE HIS 61 6.518 15.346 -7.280 477 H CYS 62 H CYS 62 1.002 12.033 -6.008 478 HA CYS 62 HA CYS 62 -0.601 10.911 -3.823 479 HB2 CYS 62 1HB CYS 62 -1.285 11.393 -6.761 480 HB3 CYS 62 2HB CYS 62 -2.405 11.022 -5.439 481 HG CYS 62 HG CYS 62 -2.614 13.604 -6.055 482 H VAL 63 H VAL 63 -0.101 8.802 -3.344 483 HA VAL 63 HA VAL 63 0.982 7.043 -5.350 484 HB VAL 63 HB VAL 63 -0.044 6.463 -2.552 485 HG11 VAL 63 1HG1 VAL 63 1.539 4.533 -2.669 486 HG12 VAL 63 2HG1 VAL 63 0.224 4.414 -3.858 487 HG13 VAL 63 3HG1 VAL 63 1.838 4.935 -4.384 488 HG21 VAL 63 3HG2 VAL 63 2.712 7.316 -3.360 489 HG22 VAL 63 1HG2 VAL 63 1.579 8.078 -2.208 490 HG23 VAL 63 2HG2 VAL 63 2.282 6.537 -1.801 491 H THR 64 H THR 64 -0.364 6.457 -7.009 492 HA THR 64 HA THR 64 -3.251 6.444 -6.577 493 HB THR 64 HB THR 64 -3.442 6.107 -8.946 494 HG1 THR 64 1HG THR 64 -0.625 6.018 -9.097 495 HG21 THR 64 3HG2 THR 64 -1.064 7.991 -8.632 496 HG22 THR 64 1HG2 THR 64 -2.672 8.404 -8.041 497 HG23 THR 64 2HG2 THR 64 -2.422 8.084 -9.764 498 H GLY 65 H GLY 65 -4.755 4.616 -6.729 499 HA2 GLY 65 2HA GLY 65 -3.786 1.910 -7.015 500 HA3 GLY 65 1HA GLY 65 -3.926 2.403 -5.321 501 H GLU 66 H GLU 66 -5.627 0.863 -4.949 502 HA GLU 66 HA GLU 66 -8.221 1.586 -6.075 503 HB2 GLU 66 1HB GLU 66 -8.620 -0.294 -7.234 504 HB3 GLU 66 2HB GLU 66 -6.852 -0.412 -7.181 505 HG2 GLU 66 1HG GLU 66 -6.891 -1.956 -5.419 506 HG3 GLU 66 2HG GLU 66 -8.652 -2.115 -5.636 507 H ILE 67 H ILE 67 -10.034 0.462 -4.673 508 HA ILE 67 HA ILE 67 -9.065 0.624 -1.864 509 HB ILE 67 HB ILE 67 -11.565 1.740 -3.150 510 HG12 ILE 67 1HG1 ILE 67 -9.403 3.130 -1.509 511 HG13 ILE 67 2HG1 ILE 67 -9.350 3.038 -3.264 512 HG21 ILE 67 1HG2 ILE 67 -12.124 2.486 -0.779 513 HG22 ILE 67 2HG2 ILE 67 -12.233 0.748 -1.002 514 HG23 ILE 67 3HG2 ILE 67 -10.824 1.459 -0.189 515 HD11 ILE 67 3HD1 ILE 67 -11.495 4.238 -3.437 516 HD12 ILE 67 1HD1 ILE 67 -11.520 4.438 -1.670 517 HD13 ILE 67 2HD1 ILE 67 -10.207 5.188 -2.570 518 H TYR 68 H TYR 68 -8.931 -1.417 -1.212 519 HA TYR 68 HA TYR 68 -11.002 -3.357 -1.952 520 HB2 TYR 68 1HB TYR 68 -8.342 -3.622 -0.533 521 HB3 TYR 68 2HB TYR 68 -9.585 -4.854 -0.418 522 HD1 TYR 68 2HD TYR 68 -10.378 -6.101 -2.302 523 HD2 TYR 68 1HD TYR 68 -7.195 -3.253 -2.821 524 HE1 TYR 68 2HE TYR 68 -9.846 -7.090 -4.505 525 HE2 TYR 68 1HE TYR 68 -6.829 -4.041 -5.115 526 HH TYR 68 HH TYR 68 -8.053 -5.292 -6.772 527 H GLU 69 H GLU 69 -12.752 -3.323 -0.826 528 HA GLU 69 HA GLU 69 -13.073 -2.609 2.028 529 HB2 GLU 69 1HB GLU 69 -14.915 -2.414 0.575 530 HB3 GLU 69 2HB GLU 69 -14.686 -4.003 -0.069 531 HG2 GLU 69 1HG GLU 69 -16.501 -3.394 1.628 532 HG3 GLU 69 2HG GLU 69 -15.746 -5.001 1.573 533 H VAL 70 H VAL 70 -12.490 -4.051 3.635 534 HA VAL 70 HA VAL 70 -11.900 -6.849 2.918 535 HB VAL 70 HB VAL 70 -9.850 -6.725 4.332 536 HG11 VAL 70 1HG1 VAL 70 -9.699 -4.912 1.902 537 HG12 VAL 70 2HG1 VAL 70 -8.348 -5.771 2.669 538 HG13 VAL 70 3HG1 VAL 70 -9.635 -6.687 1.881 539 HG21 VAL 70 3HG2 VAL 70 -8.732 -4.615 4.783 540 HG22 VAL 70 1HG2 VAL 70 -10.103 -3.717 4.106 541 HG23 VAL 70 2HG2 VAL 70 -10.310 -4.658 5.593 542 H ASP 71 H ASP 71 -11.954 -8.230 4.874 543 HA ASP 71 HA ASP 71 -13.744 -7.021 6.922 544 HB2 ASP 71 1HB ASP 71 -14.620 -8.989 7.430 545 HB3 ASP 71 2HB ASP 71 -14.397 -9.220 5.713 546 H GLU 72 H GLU 72 -13.426 -8.267 9.010 547 HA GLU 72 HA GLU 72 -11.035 -7.262 10.247 548 HB2 GLU 72 1HB GLU 72 -13.533 -8.551 11.058 549 HB3 GLU 72 2HB GLU 72 -12.187 -9.270 11.941 550 HG2 GLU 72 1HG GLU 72 -12.536 -6.285 11.649 551 HG3 GLU 72 2HG GLU 72 -13.326 -7.175 12.951 552 H GLN 73 H GLN 73 -11.885 -10.522 8.927 553 HA GLN 73 HA GLN 73 -9.618 -11.743 10.148 554 HB2 GLN 73 1HB GLN 73 -11.704 -12.881 9.263 555 HB3 GLN 73 2HB GLN 73 -11.068 -12.624 7.645 556 HG2 GLN 73 1HG GLN 73 -10.666 -14.923 8.630 557 HG3 GLN 73 2HG GLN 73 -9.225 -14.108 8.042 558 HE21 GLN 73 1HE2 GLN 73 -7.528 -13.787 9.451 559 HE22 GLN 73 2HE2 GLN 73 -7.569 -14.004 11.178 560 H MET 74 H MET 74 -10.109 -10.167 6.955 561 HA MET 74 HA MET 74 -7.408 -10.668 6.084 562 HB2 MET 74 1HB MET 74 -9.148 -10.102 4.490 563 HB3 MET 74 2HB MET 74 -9.495 -8.609 5.288 564 HG2 MET 74 1HG MET 74 -8.243 -8.263 3.225 565 HG3 MET 74 2HG MET 74 -7.326 -7.682 4.609 566 HE1 MET 74 3HE MET 74 -7.656 -11.544 3.611 567 HE2 MET 74 1HE MET 74 -7.961 -10.575 2.158 568 HE3 MET 74 2HE MET 74 -6.500 -11.593 2.261 569 H LEU 75 H LEU 75 -8.923 -7.729 7.617 570 HA LEU 75 HA LEU 75 -6.453 -6.317 7.657 571 HB2 LEU 75 1HB LEU 75 -9.199 -5.880 8.577 572 HB3 LEU 75 2HB LEU 75 -8.086 -5.418 9.805 573 HG LEU 75 HG LEU 75 -8.456 -4.247 7.042 574 HD11 LEU 75 1HD1 LEU 75 -8.294 -3.019 9.819 575 HD12 LEU 75 2HD1 LEU 75 -9.761 -3.217 8.824 576 HD13 LEU 75 3HD1 LEU 75 -8.487 -2.078 8.343 577 HD21 LEU 75 3HD2 LEU 75 -6.549 -2.680 7.441 578 HD22 LEU 75 1HD2 LEU 75 -6.051 -4.330 7.115 579 HD23 LEU 75 2HD2 LEU 75 -6.052 -3.704 8.794 580 H ARG 76 H ARG 76 -7.539 -8.926 9.707 581 HA ARG 76 HA ARG 76 -5.398 -8.456 11.688 582 HB2 ARG 76 1HB ARG 76 -7.330 -10.737 11.217 583 HB3 ARG 76 2HB ARG 76 -5.987 -10.841 12.357 584 HG2 ARG 76 1HG ARG 76 -6.805 -8.868 13.588 585 HG3 ARG 76 2HG ARG 76 -8.169 -8.697 12.470 586 HD2 ARG 76 1HD ARG 76 -8.430 -11.321 13.112 587 HD3 ARG 76 2HD ARG 76 -7.638 -10.764 14.591 588 HE ARG 76 HE ARG 76 -9.764 -8.964 13.953 589 HH11 ARG 76 1HH1 ARG 76 -9.361 -12.379 14.991 590 HH12 ARG 76 2HH1 ARG 76 -10.946 -12.442 15.683 591 HH21 ARG 76 1HH2 ARG 76 -11.804 -9.118 14.834 592 HH22 ARG 76 2HH2 ARG 76 -12.363 -10.621 15.582 593 H PHE 77 H PHE 77 -5.939 -10.807 8.947 594 HA PHE 77 HA PHE 77 -3.480 -12.153 9.213 595 HB2 PHE 77 1HB PHE 77 -5.110 -13.022 7.703 596 HB3 PHE 77 2HB PHE 77 -5.263 -11.503 6.841 597 HD1 PHE 77 1HD PHE 77 -2.819 -14.279 7.502 598 HD2 PHE 77 2HD PHE 77 -3.993 -11.040 4.919 599 HE1 PHE 77 1HE PHE 77 -1.139 -15.003 5.840 600 HE2 PHE 77 2HE PHE 77 -2.305 -11.749 3.248 601 HZ PHE 77 HZ PHE 77 -0.881 -13.752 3.690 602 H LEU 78 H LEU 78 -4.195 -9.206 7.266 603 HA LEU 78 HA LEU 78 -1.503 -8.963 6.338 604 HB2 LEU 78 1HB LEU 78 -4.000 -7.589 5.987 605 HB3 LEU 78 2HB LEU 78 -2.846 -6.394 6.536 606 HG LEU 78 HG LEU 78 -1.346 -6.881 4.673 607 HD11 LEU 78 1HD1 LEU 78 -3.447 -8.928 3.825 608 HD12 LEU 78 2HD1 LEU 78 -1.785 -9.300 4.291 609 HD13 LEU 78 3HD1 LEU 78 -2.090 -8.385 2.814 610 HD21 LEU 78 3HD2 LEU 78 -2.806 -6.036 2.872 611 HD22 LEU 78 1HD2 LEU 78 -3.242 -5.254 4.395 612 HD23 LEU 78 2HD2 LEU 78 -4.253 -6.566 3.770 613 H ASP 79 H ASP 79 -2.836 -8.276 9.491 614 HA ASP 79 HA ASP 79 -0.771 -6.350 10.238 615 HB2 ASP 79 1HB ASP 79 -3.037 -6.222 11.072 616 HB3 ASP 79 2HB ASP 79 -2.872 -7.771 11.892 617 H ASP 80 H ASP 80 -0.867 -9.611 9.751 618 HA ASP 80 HA ASP 80 1.453 -10.151 11.572 619 HB2 ASP 80 1HB ASP 80 -0.423 -11.712 11.836 620 HB3 ASP 80 2HB ASP 80 -0.539 -11.960 10.110 621 H PHE 81 H PHE 81 0.317 -10.454 8.191 622 HA PHE 81 HA PHE 81 2.748 -11.428 7.131 623 HB2 PHE 81 1HB PHE 81 0.640 -11.621 5.947 624 HB3 PHE 81 2HB PHE 81 0.496 -9.870 5.841 625 HD1 PHE 81 2HD PHE 81 3.662 -11.823 5.116 626 HD2 PHE 81 1HD PHE 81 0.338 -9.583 3.493 627 HE1 PHE 81 2HE PHE 81 4.772 -11.738 2.922 628 HE2 PHE 81 1HE PHE 81 1.457 -9.541 1.296 629 HZ PHE 81 HZ PHE 81 3.683 -10.583 1.005 630 H GLU 82 H GLU 82 1.658 -8.029 7.579 631 HA GLU 82 HA GLU 82 4.072 -6.981 6.266 632 HB2 GLU 82 1HB GLU 82 1.967 -5.453 7.830 633 HB3 GLU 82 2HB GLU 82 3.144 -4.807 6.703 634 HG2 GLU 82 1HG GLU 82 0.837 -6.630 5.911 635 HG3 GLU 82 2HG GLU 82 0.933 -4.889 5.731 636 H ASP 83 H ASP 83 3.897 -8.595 8.977 637 HA ASP 83 HA ASP 83 5.001 -8.834 10.863 638 HB2 ASP 83 1HB ASP 83 6.940 -8.249 9.196 639 HB3 ASP 83 2HB ASP 83 6.950 -6.691 10.026 640 H CYS 84 H CYS 84 3.302 -6.193 10.458 641 HA CYS 84 HA CYS 84 4.478 -4.220 12.155 642 HB2 CYS 84 1HB CYS 84 2.288 -3.096 11.905 643 HB3 CYS 84 2HB CYS 84 2.945 -3.651 10.346 644 HG CYS 84 HG CYS 84 1.227 -5.840 11.935 645 HA PRO 85 HA PRO 85 3.141 -2.448 13.766 646 HB2 PRO 85 1HB PRO 85 3.976 -1.735 16.264 647 HB3 PRO 85 2HB PRO 85 2.282 -2.169 15.910 648 HG2 PRO 85 1HG PRO 85 4.440 -3.985 17.031 649 HG3 PRO 85 2HG PRO 85 2.794 -3.676 17.686 650 HD2 PRO 85 1HD PRO 85 3.296 -5.812 16.090 651 HD3 PRO 85 2HD PRO 85 1.780 -4.884 15.910 652 H SER 86 H SER 86 5.655 -4.779 14.250 653 HA SER 86 HA SER 86 7.872 -3.222 14.854 654 HB2 SER 86 1HB SER 86 7.364 -5.806 13.436 655 HB3 SER 86 2HB SER 86 8.913 -5.090 13.146 656 HG SER 86 HG SER 86 8.531 -6.560 15.054 657 H MET 87 H MET 87 7.175 -4.323 11.514 658 HA MET 87 HA MET 87 9.051 -2.465 10.424 659 HB2 MET 87 1HB MET 87 6.934 -4.284 9.213 660 HB3 MET 87 2HB MET 87 8.006 -3.291 8.249 661 HG2 MET 87 1HG MET 87 9.940 -4.435 9.111 662 HG3 MET 87 2HG MET 87 8.958 -5.372 10.225 663 HE1 MET 87 3HE MET 87 9.258 -4.647 6.240 664 HE2 MET 87 1HE MET 87 8.349 -6.053 5.656 665 HE3 MET 87 2HE MET 87 7.511 -4.794 6.584 666 H TYR 88 H TYR 88 5.541 -2.743 10.000 667 HA TYR 88 HA TYR 88 5.329 0.161 9.342 668 HB2 TYR 88 1HB TYR 88 3.533 -2.175 8.571 669 HB3 TYR 88 2HB TYR 88 3.230 -0.492 8.176 670 HD1 TYR 88 2HD TYR 88 4.902 0.771 6.718 671 HD2 TYR 88 1HD TYR 88 4.916 -3.517 7.147 672 HE1 TYR 88 2HE TYR 88 6.331 0.577 4.689 673 HE2 TYR 88 1HE TYR 88 6.268 -3.720 5.077 674 HH TYR 88 HH TYR 88 7.264 -1.002 3.031 675 H GLN 89 H GLN 89 3.201 1.137 10.099 676 HA GLN 89 HA GLN 89 2.336 -0.017 12.742 677 HB2 GLN 89 1HB GLN 89 3.291 2.758 12.006 678 HB3 GLN 89 2HB GLN 89 2.049 2.585 13.228 679 HG2 GLN 89 1HG GLN 89 3.636 2.333 14.689 680 HG3 GLN 89 2HG GLN 89 3.813 0.685 14.134 681 HE21 GLN 89 1HE2 GLN 89 5.919 0.107 13.572 682 HE22 GLN 89 2HE2 GLN 89 7.181 1.252 13.239 683 H ARG 90 H ARG 90 1.334 1.102 9.861 684 HA ARG 90 HA ARG 90 -0.660 1.587 8.769 685 HB2 ARG 90 1HB ARG 90 -1.365 -0.513 9.765 686 HB3 ARG 90 2HB ARG 90 -1.916 0.289 11.210 687 HG2 ARG 90 1HG ARG 90 -3.137 1.208 8.623 688 HG3 ARG 90 2HG ARG 90 -3.465 -0.453 9.107 689 HD2 ARG 90 1HD ARG 90 -4.262 2.063 10.591 690 HD3 ARG 90 2HD ARG 90 -5.289 0.798 9.825 691 HE ARG 90 HE ARG 90 -3.661 -0.444 11.772 692 HH11 ARG 90 1HH1 ARG 90 -6.556 1.496 11.485 693 HH12 ARG 90 2HH1 ARG 90 -7.160 1.203 13.076 694 HH21 ARG 90 1HH2 ARG 90 -4.576 -1.192 13.646 695 HH22 ARG 90 2HH2 ARG 90 -5.971 -0.451 14.396 696 H THR 91 H THR 91 -2.121 3.351 8.497 697 HA THR 91 HA THR 91 -2.942 4.873 10.836 698 HB THR 91 HB THR 91 -1.366 6.224 8.606 699 HG1 THR 91 1HG THR 91 -0.633 5.111 11.005 700 HG21 THR 91 3HG2 THR 91 -2.674 7.918 9.230 701 HG22 THR 91 1HG2 THR 91 -1.313 8.140 10.325 702 HG23 THR 91 2HG2 THR 91 -2.801 7.373 10.932 703 H ALA 92 H ALA 92 -4.374 6.699 9.894 704 HA ALA 92 HA ALA 92 -5.824 5.894 7.443 705 HB1 ALA 92 1HB ALA 92 -7.753 7.130 8.464 706 HB2 ALA 92 2HB ALA 92 -7.297 5.665 9.356 707 HB3 ALA 92 3HB ALA 92 -6.831 7.272 9.962 708 H LEU 93 H LEU 93 -6.193 7.338 6.015 709 HA LEU 93 HA LEU 93 -5.119 10.108 6.096 710 HB2 LEU 93 1HB LEU 93 -4.117 9.673 3.894 711 HB3 LEU 93 2HB LEU 93 -3.544 8.566 5.122 712 HG LEU 93 HG LEU 93 -3.854 7.571 2.835 713 HD11 LEU 93 1HD1 LEU 93 -3.658 6.521 4.993 714 HD12 LEU 93 2HD1 LEU 93 -4.452 5.566 3.712 715 HD13 LEU 93 3HD1 LEU 93 -5.445 6.236 4.972 716 HD21 LEU 93 3HD2 LEU 93 -5.671 6.952 1.929 717 HD22 LEU 93 1HD2 LEU 93 -5.875 8.679 2.189 718 HD23 LEU 93 2HD2 LEU 93 -6.747 7.503 3.244 719 H GLN 94 H GLN 94 -5.651 10.966 3.733 720 HA GLN 94 HA GLN 94 -8.580 10.728 3.370 721 HB2 GLN 94 1HB GLN 94 -7.675 12.881 4.282 722 HB3 GLN 94 2HB GLN 94 -6.668 13.042 2.842 723 HG2 GLN 94 1HG GLN 94 -8.361 14.488 2.396 724 HG3 GLN 94 2HG GLN 94 -8.907 13.077 1.513 725 HE21 GLN 94 1HE2 GLN 94 -10.399 11.502 3.221 726 HE22 GLN 94 2HE2 GLN 94 -11.604 12.504 3.997 727 H VAL 95 H VAL 95 -9.245 9.916 1.395 728 HA VAL 95 HA VAL 95 -7.463 10.104 -0.941 729 HB VAL 95 HB VAL 95 -6.852 8.441 0.066 730 HG11 VAL 95 1HG1 VAL 95 -7.300 6.536 0.820 731 HG12 VAL 95 2HG1 VAL 95 -8.329 7.685 1.625 732 HG13 VAL 95 3HG1 VAL 95 -8.991 6.593 0.299 733 HG21 VAL 95 3HG2 VAL 95 -8.289 6.608 -1.789 734 HG22 VAL 95 1HG2 VAL 95 -7.546 7.972 -2.527 735 HG23 VAL 95 2HG2 VAL 95 -6.529 6.849 -1.597 736 H GLN 96 H GLN 96 -8.016 10.373 -2.799 737 HA GLN 96 HA GLN 96 -10.629 11.365 -3.170 738 HB2 GLN 96 1HB GLN 96 -8.803 12.507 -4.274 739 HB3 GLN 96 2HB GLN 96 -8.486 11.079 -5.295 740 HG2 GLN 96 1HG GLN 96 -10.788 11.239 -6.239 741 HG3 GLN 96 2HG GLN 96 -11.147 12.590 -5.176 742 HE21 GLN 96 1HE2 GLN 96 -11.677 12.812 -7.786 743 HE22 GLN 96 2HE2 GLN 96 -10.515 13.923 -8.539 744 H VAL 97 H VAL 97 -12.349 10.203 -3.716 745 HA VAL 97 HA VAL 97 -11.927 7.452 -4.590 746 HB VAL 97 HB VAL 97 -13.103 7.767 -2.802 747 HG11 VAL 97 1HG1 VAL 97 -15.248 9.406 -3.719 748 HG12 VAL 97 2HG1 VAL 97 -15.174 8.544 -2.194 749 HG13 VAL 97 3HG1 VAL 97 -13.903 9.702 -2.479 750 HG21 VAL 97 3HG2 VAL 97 -15.138 6.429 -3.212 751 HG22 VAL 97 1HG2 VAL 97 -15.082 6.913 -4.911 752 HG23 VAL 97 2HG2 VAL 97 -13.789 5.888 -4.247 753 H LEU 98 H LEU 98 -11.179 7.586 -6.452 754 HA LEU 98 HA LEU 98 -12.047 9.177 -8.643 755 HB2 LEU 98 1HB LEU 98 -10.256 6.796 -8.204 756 HB3 LEU 98 2HB LEU 98 -10.936 6.931 -9.796 757 HG LEU 98 HG LEU 98 -8.804 7.921 -9.870 758 HD11 LEU 98 1HD1 LEU 98 -10.624 10.344 -9.736 759 HD12 LEU 98 2HD1 LEU 98 -10.673 9.154 -11.055 760 HD13 LEU 98 3HD1 LEU 98 -9.204 10.086 -10.750 761 HD21 LEU 98 3HD2 LEU 98 -8.330 8.350 -7.564 762 HD22 LEU 98 1HD2 LEU 98 -9.532 9.660 -7.500 763 HD23 LEU 98 2HD2 LEU 98 -8.057 9.810 -8.483 764 H GLU 99 H GLU 99 -13.060 5.968 -7.417 765 HA GLU 99 HA GLU 99 -15.451 6.008 -9.071 766 HB2 GLU 99 1HB GLU 99 -13.568 5.081 -10.452 767 HB3 GLU 99 2HB GLU 99 -13.324 3.789 -9.320 768 HG2 GLU 99 1HG GLU 99 -15.377 2.743 -9.938 769 HG3 GLU 99 2HG GLU 99 -16.038 4.225 -10.631 770 H TRP 100 H TRP 100 -16.993 4.470 -8.096 771 HA TRP 100 HA TRP 100 -16.143 3.113 -5.594 772 HB2 TRP 100 1HB TRP 100 -16.951 5.437 -5.097 773 HB3 TRP 100 2HB TRP 100 -18.534 4.986 -5.729 774 HD1 TRP 100 HD TRP 100 -20.149 3.762 -3.962 775 HE1 TRP 100 1HE TRP 100 -19.888 2.862 -1.623 776 HE3 TRP 100 3HE TRP 100 -15.078 4.144 -3.508 777 HZ2 TRP 100 2HZ TRP 100 -17.744 2.254 0.220 778 HZ3 TRP 100 3HZ TRP 100 -13.945 3.332 -1.498 779 HH2 TRP 100 HH TRP 100 -15.271 2.288 0.355 780 H GLU 101 H GLU 101 -17.075 1.079 -5.496 781 HA GLU 101 HA GLU 101 -19.283 0.490 -7.379 782 HB2 GLU 101 1HB GLU 101 -16.951 -1.323 -6.554 783 HB3 GLU 101 2HB GLU 101 -18.309 -1.783 -7.569 784 HG2 GLU 101 1HG GLU 101 -17.542 0.153 -9.132 785 HG3 GLU 101 2HG GLU 101 -16.072 0.156 -8.128 786 H GLY 102 H GLY 102 -20.998 0.606 -6.021 787 HA2 GLY 102 2HA GLY 102 -22.536 -0.870 -4.882 788 HA3 GLY 102 1HA GLY 102 -21.198 -1.488 -3.897 789 H ASP 103 H ASP 103 -22.948 -0.740 -2.258 790 HA ASP 103 HA ASP 103 -23.451 2.009 -1.882 791 HB2 ASP 103 1HB ASP 103 -24.685 -0.147 -0.991 792 HB3 ASP 103 2HB ASP 103 -23.611 0.034 0.383 793 H GLY 104 H GLY 104 -22.997 2.929 0.538 794 HA2 GLY 104 2HA GLY 104 -21.562 3.301 2.313 795 HA3 GLY 104 1HA GLY 104 -20.382 2.185 1.616 796 H ASP 105 H ASP 105 -21.901 4.939 0.175 797 HA ASP 105 HA ASP 105 -19.718 5.888 -1.185 798 HB2 ASP 105 1HB ASP 105 -21.765 5.512 -2.224 799 HB3 ASP 105 2HB ASP 105 -22.683 6.406 -1.001 800 HA PRO 106 HA PRO 106 -19.201 9.147 2.046 801 HB2 PRO 106 1HB PRO 106 -16.528 9.542 1.798 802 HB3 PRO 106 2HB PRO 106 -17.223 8.112 2.638 803 HG2 PRO 106 1HG PRO 106 -16.314 8.333 -0.254 804 HG3 PRO 106 2HG PRO 106 -15.862 7.085 0.981 805 HD2 PRO 106 1HD PRO 106 -17.777 6.648 -0.852 806 HD3 PRO 106 2HD PRO 106 -17.882 6.086 0.838 807 H GLY 107 H GLY 107 -18.086 9.366 -1.438 808 HA2 GLY 107 2HA GLY 107 -19.107 11.596 -2.303 809 HA3 GLY 107 1HA GLY 107 -18.024 12.331 -1.168 810 H ASP 108 H ASP 108 -15.938 12.393 -1.590 811 HA ASP 108 HA ASP 108 -14.569 11.204 -3.971 812 HB2 ASP 108 1HB ASP 108 -14.561 14.211 -3.533 813 HB3 ASP 108 2HB ASP 108 -14.121 13.379 -5.019 814 H SER 109 H SER 109 -14.410 11.922 -0.827 815 HA SER 109 HA SER 109 -11.794 10.974 -1.413 816 HB2 SER 109 1HB SER 109 -10.825 12.347 0.613 817 HB3 SER 109 2HB SER 109 -10.746 12.939 -1.063 818 HG SER 109 HG SER 109 -12.790 13.673 0.791 819 H VAL 110 H VAL 110 -10.944 9.397 0.321 820 HA VAL 110 HA VAL 110 -13.214 9.046 2.283 821 HB VAL 110 HB VAL 110 -13.282 6.818 1.948 822 HG11 VAL 110 1HG1 VAL 110 -14.219 8.299 0.156 823 HG12 VAL 110 2HG1 VAL 110 -12.840 7.891 -0.837 824 HG13 VAL 110 3HG1 VAL 110 -13.985 6.612 -0.321 825 HG21 VAL 110 3HG2 VAL 110 -10.833 6.276 1.713 826 HG22 VAL 110 1HG2 VAL 110 -11.898 5.427 0.588 827 HG23 VAL 110 2HG2 VAL 110 -10.997 6.804 -0.013 828 H GLN 111 H GLN 111 -12.694 7.688 4.119 829 HA GLN 111 HA GLN 111 -9.927 8.243 4.993 830 HB2 GLN 111 1HB GLN 111 -11.658 9.286 6.368 831 HB3 GLN 111 2HB GLN 111 -12.335 7.696 6.750 832 HG2 GLN 111 1HG GLN 111 -9.381 8.236 7.199 833 HG3 GLN 111 2HG GLN 111 -10.552 8.951 8.306 834 HE21 GLN 111 1HE2 GLN 111 -9.212 5.719 7.283 835 HE22 GLN 111 2HE2 GLN 111 -10.261 4.852 8.378 836 H CYS 112 H CYS 112 -8.836 6.611 4.193 837 HA CYS 112 HA CYS 112 -9.890 3.833 4.581 838 HB2 CYS 112 1HB CYS 112 -8.665 3.044 2.747 839 HB3 CYS 112 2HB CYS 112 -9.171 4.610 2.164 840 HG CYS 112 HG CYS 112 -6.241 3.567 3.186 841 H PHE 113 H PHE 113 -7.497 2.476 4.500 842 HA PHE 113 HA PHE 113 -5.727 3.671 6.514 843 HB2 PHE 113 1HB PHE 113 -6.543 0.757 6.303 844 HB3 PHE 113 2HB PHE 113 -5.405 1.358 7.454 845 HD1 PHE 113 2HD PHE 113 -6.175 3.017 9.251 846 HD2 PHE 113 1HD PHE 113 -8.964 1.070 6.599 847 HE1 PHE 113 2HE PHE 113 -8.060 3.715 10.709 848 HE2 PHE 113 1HE PHE 113 -10.837 1.847 8.001 849 HZ PHE 113 HZ PHE 113 -10.396 3.145 10.076 850 H VAL 114 H VAL 114 -3.529 3.276 6.121 851 HA VAL 114 HA VAL 114 -2.559 1.882 3.739 852 HB VAL 114 HB VAL 114 -2.344 4.894 4.199 853 HG11 VAL 114 1HG1 VAL 114 0.001 4.142 3.985 854 HG12 VAL 114 2HG1 VAL 114 -0.443 3.269 2.503 855 HG13 VAL 114 3HG1 VAL 114 -0.532 5.034 2.559 856 HG21 VAL 114 3HG2 VAL 114 -2.737 5.112 1.918 857 HG22 VAL 114 1HG2 VAL 114 -2.518 3.384 1.592 858 HG23 VAL 114 2HG2 VAL 114 -3.949 3.922 2.492 859 H TYR 115 H TYR 115 -0.495 0.971 4.132 860 HA TYR 115 HA TYR 115 0.166 0.735 6.948 861 HB2 TYR 115 1HB TYR 115 0.853 -0.766 4.454 862 HB3 TYR 115 2HB TYR 115 2.025 -0.799 5.751 863 HD1 TYR 115 2HD TYR 115 1.009 -1.037 8.203 864 HD2 TYR 115 1HD TYR 115 -0.696 -2.583 4.536 865 HE1 TYR 115 2HE TYR 115 -0.015 -2.887 9.466 866 HE2 TYR 115 1HE TYR 115 -1.676 -4.464 5.816 867 HH TYR 115 HH TYR 115 -0.765 -5.653 8.230 868 H THR 116 H THR 116 0.845 2.865 7.372 869 HA THR 116 HA THR 116 3.191 3.844 6.051 870 HB THR 116 HB THR 116 2.932 5.686 7.719 871 HG1 THR 116 1HG THR 116 1.005 5.437 9.118 872 HG21 THR 116 3HG2 THR 116 1.752 6.075 5.744 873 HG22 THR 116 1HG2 THR 116 0.563 6.337 7.043 874 HG23 THR 116 2HG2 THR 116 0.518 4.855 6.100 875 H THR 117 H THR 117 4.990 4.723 7.658 876 HA THR 117 HA THR 117 5.237 3.123 10.076 877 HB THR 117 HB THR 117 6.583 1.871 8.456 878 HG1 THR 117 1HG THR 117 7.823 1.538 10.032 879 HG21 THR 117 3HG2 THR 117 8.660 2.804 7.495 880 HG22 THR 117 1HG2 THR 117 8.222 4.408 8.102 881 HG23 THR 117 2HG2 THR 117 7.229 3.617 6.852 882 H ALA 118 H ALA 118 5.644 4.519 11.722 883 HA ALA 118 HA ALA 118 6.228 7.357 11.095 884 HB1 ALA 118 1HB ALA 118 5.323 5.962 13.649 885 HB2 ALA 118 2HB ALA 118 5.617 7.701 13.469 886 HB3 ALA 118 3HB ALA 118 4.321 6.947 12.543 887 H THR 119 H THR 119 7.941 4.520 11.610 888 HA THR 119 HA THR 119 10.198 5.857 12.981 889 HB THR 119 HB THR 119 9.043 4.089 14.209 890 HG1 THR 119 1HG THR 119 11.588 3.166 13.485 891 HG21 THR 119 3HG2 THR 119 8.275 2.585 12.501 892 HG22 THR 119 1HG2 THR 119 9.350 1.707 13.601 893 HG23 THR 119 2HG2 THR 119 9.933 2.198 12.001 894 H TYR 120 H TYR 120 9.682 6.190 10.198 895 HA TYR 120 HA TYR 120 11.520 4.669 8.554 896 HB2 TYR 120 1HB TYR 120 11.322 6.629 7.063 897 HB3 TYR 120 2HB TYR 120 9.735 6.102 7.622 898 HD1 TYR 120 1HD TYR 120 8.368 7.537 9.083 899 HD2 TYR 120 2HD TYR 120 12.321 8.714 7.895 900 HE1 TYR 120 1HE TYR 120 8.144 9.633 10.427 901 HE2 TYR 120 2HE TYR 120 12.168 10.748 9.282 902 HH TYR 120 HH TYR 120 10.943 11.691 11.092 903 H ALA 121 H ALA 121 13.636 5.618 7.806 904 HA ALA 121 HA ALA 121 15.094 7.022 9.970 905 HB1 ALA 121 1HB ALA 121 16.067 4.936 9.106 906 HB2 ALA 121 2HB ALA 121 16.006 5.580 7.442 907 HB3 ALA 121 3HB ALA 121 17.086 6.299 8.642 908 HA PRO 122 HA PRO 122 15.094 10.821 7.666 909 HB2 PRO 122 1HB PRO 122 17.626 11.852 8.073 910 HB3 PRO 122 2HB PRO 122 16.353 11.838 9.327 911 HG2 PRO 122 1HG PRO 122 18.621 9.880 8.938 912 HG3 PRO 122 2HG PRO 122 18.047 10.640 10.457 913 HD2 PRO 122 1HD PRO 122 17.345 8.126 9.748 914 HD3 PRO 122 2HD PRO 122 16.183 9.191 10.584 915 H GLU 123 H GLU 123 17.797 8.554 7.112 916 HA GLU 123 HA GLU 123 18.611 9.671 4.616 917 HB2 GLU 123 1HB GLU 123 19.872 7.536 4.441 918 HB3 GLU 123 2HB GLU 123 20.143 8.445 5.927 919 HG2 GLU 123 1HG GLU 123 18.204 6.705 6.727 920 HG3 GLU 123 2HG GLU 123 18.961 5.737 5.475 921 H TRP 124 H TRP 124 15.713 8.085 5.405 922 HA TRP 124 HA TRP 124 15.374 7.137 2.614 923 HB2 TRP 124 1HB TRP 124 13.735 6.727 5.125 924 HB3 TRP 124 2HB TRP 124 13.200 6.297 3.523 925 HD1 TRP 124 HD TRP 124 16.802 5.407 3.734 926 HE1 TRP 124 1HE TRP 124 17.073 2.876 4.147 927 HE3 TRP 124 3HE TRP 124 12.050 4.330 5.275 928 HZ2 TRP 124 2HZ TRP 124 15.434 0.682 5.027 929 HZ3 TRP 124 3HZ TRP 124 11.480 2.057 6.048 930 HH2 TRP 124 HH TRP 124 13.167 0.216 5.906 931 H LEU 125 H LEU 125 14.751 9.903 4.678 932 HA LEU 125 HA LEU 125 12.454 10.781 3.053 933 HB2 LEU 125 1HB LEU 125 14.003 11.930 5.387 934 HB3 LEU 125 2HB LEU 125 13.025 13.002 4.401 935 HG LEU 125 HG LEU 125 11.914 10.510 5.758 936 HD11 LEU 125 1HD1 LEU 125 12.691 12.159 7.394 937 HD12 LEU 125 2HD1 LEU 125 10.916 12.141 7.344 938 HD13 LEU 125 3HD1 LEU 125 11.813 13.454 6.547 939 HD21 LEU 125 3HD2 LEU 125 9.715 11.623 5.289 940 HD22 LEU 125 1HD2 LEU 125 10.550 11.181 3.811 941 HD23 LEU 125 2HD2 LEU 125 10.560 12.872 4.353 942 H PHE 126 H PHE 126 15.895 10.966 2.886 943 HA PHE 126 HA PHE 126 15.985 13.268 1.110 944 HB2 PHE 126 1HB PHE 126 18.037 11.061 1.424 945 HB3 PHE 126 2HB PHE 126 18.307 12.696 0.839 946 HD1 PHE 126 2HD PHE 126 16.517 13.925 3.294 947 HD2 PHE 126 1HD PHE 126 19.912 11.270 2.998 948 HE1 PHE 126 2HE PHE 126 17.158 14.469 5.611 949 HE2 PHE 126 1HE PHE 126 20.567 11.864 5.299 950 HZ PHE 126 HZ PHE 126 19.191 13.449 6.624 951 H LEU 127 H LEU 127 15.258 9.875 0.747 952 HA LEU 127 HA LEU 127 16.207 9.380 -1.860 953 HB2 LEU 127 1HB LEU 127 13.893 8.197 -0.302 954 HB3 LEU 127 2HB LEU 127 14.365 7.558 -1.848 955 HG LEU 127 HG LEU 127 16.188 7.630 0.586 956 HD11 LEU 127 1HD1 LEU 127 14.692 5.263 -0.638 957 HD12 LEU 127 2HD1 LEU 127 14.254 6.077 0.883 958 HD13 LEU 127 3HD1 LEU 127 15.793 5.222 0.752 959 HD21 LEU 127 3HD2 LEU 127 16.472 6.304 -2.151 960 HD22 LEU 127 1HD2 LEU 127 17.539 6.016 -0.762 961 HD23 LEU 127 2HD2 LEU 127 17.457 7.628 -1.472 962 HA PRO 128 HA PRO 128 13.248 11.497 -4.371 963 HB2 PRO 128 1HB PRO 128 13.345 10.109 -6.717 964 HB3 PRO 128 2HB PRO 128 14.739 11.055 -6.113 965 HG2 PRO 128 1HG PRO 128 14.275 8.083 -5.882 966 HG3 PRO 128 2HG PRO 128 15.777 8.936 -6.344 967 HD2 PRO 128 1HD PRO 128 15.301 8.020 -3.806 968 HD3 PRO 128 2HD PRO 128 16.273 9.484 -4.118 969 H TYR 129 H TYR 129 11.087 11.435 -4.807 970 HA TYR 129 HA TYR 129 9.686 9.122 -3.755 971 HB2 TYR 129 1HB TYR 129 8.651 11.837 -4.624 972 HB3 TYR 129 2HB TYR 129 7.699 10.609 -3.783 973 HD1 TYR 129 1HD TYR 129 9.499 9.624 -1.713 974 HD2 TYR 129 2HD TYR 129 8.905 13.653 -3.098 975 HE1 TYR 129 1HE TYR 129 10.488 10.492 0.391 976 HE2 TYR 129 2HE TYR 129 9.757 14.530 -0.965 977 HH TYR 129 HH TYR 129 11.605 12.504 1.158 978 H HIS 130 H HIS 130 7.585 8.465 -4.760 979 HA HIS 130 HA HIS 130 7.580 8.475 -7.717 980 HB2 HIS 130 1HB HIS 130 7.245 6.003 -5.976 981 HB3 HIS 130 2HB HIS 130 7.078 6.058 -7.714 982 HD1 HIS 130 1HD HIS 130 9.374 6.210 -9.165 983 HD2 HIS 130 2HD HIS 130 9.788 6.086 -4.967 984 HE1 HIS 130 1HE HIS 130 11.820 5.679 -8.699 985 H GLU 131 H GLU 131 5.389 7.530 -8.431 986 HA GLU 131 HA GLU 131 3.212 8.732 -6.749 987 HB2 GLU 131 1HB GLU 131 4.290 9.980 -8.676 988 HB3 GLU 131 2HB GLU 131 3.616 8.759 -9.758 989 HG2 GLU 131 1HG GLU 131 1.363 9.439 -9.276 990 HG3 GLU 131 2HG GLU 131 1.868 10.393 -7.878 991 H SER 132 H SER 132 4.290 6.039 -8.500 992 HA SER 132 HA SER 132 2.092 4.533 -7.489 993 HB2 SER 132 1HB SER 132 1.076 5.134 -9.633 994 HB3 SER 132 2HB SER 132 2.523 4.656 -10.497 995 HG SER 132 HG SER 132 2.054 2.458 -9.850 996 H TYR 133 H TYR 133 2.703 2.353 -7.389 997 HA TYR 133 HA TYR 133 5.581 1.761 -7.871 998 HB2 TYR 133 1HB TYR 133 4.301 1.051 -5.759 999 HB3 TYR 133 2HB TYR 133 3.388 -0.033 -6.781 1000 HD1 TYR 133 2HD TYR 133 7.124 0.685 -6.836 1001 HD2 TYR 133 1HD TYR 133 3.987 -2.147 -5.920 1002 HE1 TYR 133 2HE TYR 133 8.811 -0.975 -6.204 1003 HE2 TYR 133 1HE TYR 133 5.704 -3.815 -5.284 1004 HH TYR 133 HH TYR 133 7.980 -3.754 -4.372 1005 H ASP 134 H ASP 134 5.962 -0.288 -9.017 1006 HA ASP 134 HA ASP 134 4.204 -2.120 -9.775 1007 HB2 ASP 134 1HB ASP 134 4.293 -0.040 -11.905 1008 HB3 ASP 134 2HB ASP 134 4.700 -1.628 -12.477 1009 H SER 135 H SER 135 5.335 -3.973 -10.665 1010 HA SER 135 HA SER 135 8.200 -3.918 -10.378 1011 HB2 SER 135 1HB SER 135 6.415 -5.852 -10.087 1012 HB3 SER 135 2HB SER 135 6.708 -6.110 -11.814 1013 HG SER 135 HG SER 135 8.316 -7.224 -11.058 1014 H GLU 136 H GLU 136 5.863 -3.556 -12.998 1015 HA GLU 136 HA GLU 136 7.747 -3.366 -15.222 1016 HB2 GLU 136 1HB GLU 136 4.790 -2.658 -14.953 1017 HB3 GLU 136 2HB GLU 136 5.722 -2.609 -16.445 1018 HG2 GLU 136 1HG GLU 136 5.967 -4.992 -16.491 1019 HG3 GLU 136 2HG GLU 136 5.273 -5.182 -14.879 1020 H GLY 137 H GLY 137 8.868 -1.925 -13.598 1021 HA2 GLY 137 2HA GLY 137 8.386 0.833 -14.691 1022 HA3 GLY 137 1HA GLY 137 8.913 0.668 -13.012 1023 HA PRO 138 HA PRO 138 12.152 0.327 -16.524 1024 HB2 PRO 138 1HB PRO 138 13.237 2.861 -16.767 1025 HB3 PRO 138 2HB PRO 138 11.771 2.312 -17.618 1026 HG2 PRO 138 1HG PRO 138 11.959 3.914 -15.054 1027 HG3 PRO 138 2HG PRO 138 10.895 4.194 -16.472 1028 HD2 PRO 138 1HD PRO 138 10.032 2.925 -14.210 1029 HD3 PRO 138 2HD PRO 138 9.433 2.473 -15.829 1030 H HIS 139 H HIS 139 12.361 1.461 -13.319 1031 HA HIS 139 HA HIS 139 15.186 1.971 -13.116 1032 HB2 HIS 139 1HB HIS 139 12.989 1.478 -11.065 1033 HB3 HIS 139 2HB HIS 139 14.654 1.913 -10.671 1034 HD1 HIS 139 1HD HIS 139 15.340 4.377 -10.723 1035 HD2 HIS 139 2HD HIS 139 11.552 3.565 -12.409 1036 HE1 HIS 139 1HE HIS 139 14.246 6.611 -11.131 1037 H GLY 140 H GLY 140 13.440 -1.080 -13.132 1038 HA2 GLY 140 2HA GLY 140 14.346 -3.183 -12.826 1039 HA3 GLY 140 1HA GLY 140 15.857 -2.490 -12.259 1040 H LEU 141 H LEU 141 15.519 -1.155 -10.119 1041 HA LEU 141 HA LEU 141 15.060 -2.890 -8.037 1042 HB2 LEU 141 1HB LEU 141 15.021 -0.779 -6.555 1043 HB3 LEU 141 2HB LEU 141 16.445 -1.252 -7.450 1044 HG LEU 141 HG LEU 141 15.956 0.554 -9.124 1045 HD11 LEU 141 1HD1 LEU 141 14.478 2.431 -8.373 1046 HD12 LEU 141 2HD1 LEU 141 13.873 1.391 -7.071 1047 HD13 LEU 141 3HD1 LEU 141 13.569 0.961 -8.768 1048 HD21 LEU 141 3HD2 LEU 141 17.544 0.809 -7.228 1049 HD22 LEU 141 1HD2 LEU 141 16.235 1.458 -6.225 1050 HD23 LEU 141 2HD2 LEU 141 16.782 2.337 -7.672 1051 H ARG 142 H ARG 142 13.129 -3.965 -8.175 1052 HA ARG 142 HA ARG 142 10.954 -2.859 -6.642 1053 HB2 ARG 142 1HB ARG 142 10.592 -4.132 -9.412 1054 HB3 ARG 142 2HB ARG 142 9.303 -4.069 -8.198 1055 HG2 ARG 142 1HG ARG 142 8.811 -2.018 -8.980 1056 HG3 ARG 142 2HG ARG 142 10.212 -1.554 -8.027 1057 HD2 ARG 142 1HD ARG 142 11.543 -2.147 -10.185 1058 HD3 ARG 142 2HD ARG 142 10.022 -1.746 -11.011 1059 HE ARG 142 HE ARG 142 11.831 -0.068 -9.409 1060 HH11 ARG 142 1HH1 ARG 142 8.491 -0.213 -10.633 1061 HH12 ARG 142 2HH1 ARG 142 8.167 1.458 -10.431 1062 HH21 ARG 142 1HH2 ARG 142 11.410 2.203 -9.111 1063 HH22 ARG 142 2HH2 ARG 142 9.786 2.776 -9.338 1064 H TYR 143 H TYR 143 9.392 -4.857 -6.221 1065 HA TYR 143 HA TYR 143 11.040 -6.128 -4.366 1066 HB2 TYR 143 1HB TYR 143 8.562 -5.776 -4.066 1067 HB3 TYR 143 2HB TYR 143 8.268 -7.102 -5.170 1068 HD1 TYR 143 1HD TYR 143 10.362 -6.334 -2.114 1069 HD2 TYR 143 2HD TYR 143 7.894 -9.220 -4.173 1070 HE1 TYR 143 1HE TYR 143 10.531 -7.861 -0.182 1071 HE2 TYR 143 2HE TYR 143 8.076 -10.760 -2.249 1072 HH TYR 143 HH TYR 143 8.527 -10.411 0.387 1073 H ASN 144 H ASN 144 12.172 -7.891 -4.305 1074 HA ASN 144 HA ASN 144 12.160 -9.715 -6.669 1075 HB2 ASN 144 1HB ASN 144 14.272 -8.260 -5.083 1076 HB3 ASN 144 2HB ASN 144 14.687 -9.732 -5.980 1077 HD21 ASN 144 1HD2 ASN 144 16.041 -7.585 -6.869 1078 HD22 ASN 144 2HD2 ASN 144 15.362 -7.155 -8.448 1079 HA PRO 145 HA PRO 145 11.640 -12.636 -3.223 1080 HB2 PRO 145 1HB PRO 145 9.462 -13.975 -4.106 1081 HB3 PRO 145 2HB PRO 145 9.330 -12.356 -3.364 1082 HG2 PRO 145 1HG PRO 145 9.480 -13.009 -6.343 1083 HG3 PRO 145 2HG PRO 145 8.244 -12.026 -5.483 1084 HD2 PRO 145 1HD PRO 145 10.409 -10.952 -6.743 1085 HD3 PRO 145 2HD PRO 145 9.759 -10.258 -5.229 1086 H ARG 146 H ARG 146 12.063 -12.995 -6.739 1087 HA ARG 146 HA ARG 146 13.501 -15.423 -6.439 1088 HB2 ARG 146 1HB ARG 146 10.722 -15.894 -6.385 1089 HB3 ARG 146 2HB ARG 146 11.036 -15.994 -8.093 1090 HG2 ARG 146 1HG ARG 146 11.499 -18.167 -7.607 1091 HG3 ARG 146 2HG ARG 146 13.126 -17.528 -7.203 1092 HD2 ARG 146 1HD ARG 146 12.524 -17.383 -4.849 1093 HD3 ARG 146 2HD ARG 146 10.840 -17.717 -5.243 1094 HE ARG 146 HE ARG 146 12.663 -19.853 -6.012 1095 HH11 ARG 146 1HH1 ARG 146 10.550 -18.515 -3.438 1096 HH12 ARG 146 2HH1 ARG 146 10.086 -20.107 -2.885 1097 HH21 ARG 146 1HH2 ARG 146 12.075 -21.962 -5.059 1098 HH22 ARG 146 2HH2 ARG 146 10.997 -21.970 -3.713 1099 H GLU 147 H GLU 147 13.044 -12.883 -8.253 1100 HA GLU 147 HA GLU 147 12.694 -14.024 -10.874 1101 HB2 GLU 147 1HB GLU 147 13.475 -11.593 -11.524 1102 HB3 GLU 147 2HB GLU 147 11.841 -11.991 -11.084 1103 HG2 GLU 147 1HG GLU 147 12.409 -9.984 -9.903 1104 HG3 GLU 147 2HG GLU 147 12.308 -11.311 -8.749 1105 H ASN 148 H ASN 148 15.357 -12.822 -8.940 1106 HA ASN 148 HA ASN 148 17.287 -14.490 -10.475 1107 HB2 ASN 148 1HB ASN 148 17.732 -11.757 -9.178 1108 HB3 ASN 148 2HB ASN 148 19.023 -12.842 -9.691 1109 HD21 ASN 148 1HD2 ASN 148 16.550 -10.551 -10.855 1110 HD22 ASN 148 2HD2 ASN 148 17.298 -10.433 -12.447 1111 H ARG 149 H ARG 149 16.163 -16.055 -8.862 1112 HA ARG 149 HA ARG 149 16.656 -15.796 -6.082 1113 HB2 ARG 149 1HB ARG 149 15.218 -17.592 -7.232 1114 HB3 ARG 149 2HB ARG 149 16.721 -18.395 -7.639 1115 HG2 ARG 149 1HG ARG 149 15.956 -19.455 -5.634 1116 HG3 ARG 149 2HG ARG 149 17.298 -18.429 -5.141 1117 HD2 ARG 149 1HD ARG 149 15.119 -16.705 -4.943 1118 HD3 ARG 149 2HD ARG 149 14.398 -18.265 -4.558 1119 HE ARG 149 HE ARG 149 15.260 -18.152 -2.518 1120 HH11 ARG 149 1HH1 ARG 149 17.844 -16.448 -4.396 1121 HH12 ARG 149 2HH1 ARG 149 18.159 -15.380 -3.093 1122 HH21 ARG 149 1HH2 ARG 149 15.942 -16.710 -0.762 1123 HH22 ARG 149 2HH2 ARG 149 17.343 -15.739 -1.057 Start of MODEL 18 1 H1 MET 1 H MET 1 -14.494 -5.657 10.480 2 HA MET 1 HA MET 1 -14.959 -5.256 7.588 3 HB2 MET 1 1HB MET 1 -16.423 -4.285 10.072 4 HB3 MET 1 2HB MET 1 -16.621 -3.498 8.502 5 HG2 MET 1 1HG MET 1 -17.348 -5.610 7.490 6 HG3 MET 1 2HG MET 1 -17.161 -6.436 9.043 7 HE1 MET 1 3HE MET 1 -19.696 -6.185 6.982 8 HE2 MET 1 1HE MET 1 -19.754 -7.279 8.380 9 HE3 MET 1 2HE MET 1 -21.066 -6.107 8.107 10 H ALA 2 H ALA 2 -13.481 -3.918 6.631 11 HA ALA 2 HA ALA 2 -13.062 -1.270 7.675 12 HB1 ALA 2 1HB ALA 2 -10.724 -3.207 7.305 13 HB2 ALA 2 2HB ALA 2 -10.572 -1.454 7.533 14 HB3 ALA 2 3HB ALA 2 -11.216 -2.462 8.839 15 H HIS 3 H HIS 3 -11.606 -0.101 5.878 16 HA HIS 3 HA HIS 3 -11.583 -1.581 3.312 17 HB2 HIS 3 1HB HIS 3 -12.233 1.362 3.694 18 HB3 HIS 3 2HB HIS 3 -11.969 0.549 2.153 19 HD1 HIS 3 1HD HIS 3 -14.673 1.012 4.791 20 HD2 HIS 3 2HD HIS 3 -13.942 -0.834 1.094 21 HE1 HIS 3 1HE HIS 3 -16.953 0.231 3.912 22 H ILE 4 H ILE 4 -9.724 -1.034 2.029 23 HA ILE 4 HA ILE 4 -7.804 0.831 3.245 24 HB ILE 4 HB ILE 4 -5.950 -0.717 2.978 25 HG12 ILE 4 1HG1 ILE 4 -8.002 -2.906 2.425 26 HG13 ILE 4 2HG1 ILE 4 -6.980 -2.169 1.194 27 HG21 ILE 4 1HG2 ILE 4 -8.018 -2.006 4.797 28 HG22 ILE 4 2HG2 ILE 4 -6.248 -1.943 4.996 29 HG23 ILE 4 3HG2 ILE 4 -7.203 -0.482 5.131 30 HD11 ILE 4 3HD1 ILE 4 -5.966 -3.679 3.624 31 HD12 ILE 4 1HD1 ILE 4 -6.019 -4.263 1.950 32 HD13 ILE 4 2HD1 ILE 4 -4.958 -2.898 2.365 33 H PHE 5 H PHE 5 -5.947 1.146 1.697 34 HA PHE 5 HA PHE 5 -6.885 1.276 -1.125 35 HB2 PHE 5 1HB PHE 5 -6.827 3.387 0.127 36 HB3 PHE 5 2HB PHE 5 -5.109 3.148 0.488 37 HD1 PHE 5 1HD PHE 5 -7.604 3.442 -2.209 38 HD2 PHE 5 2HD PHE 5 -3.582 4.149 -0.978 39 HE1 PHE 5 1HE PHE 5 -7.109 4.405 -4.468 40 HE2 PHE 5 2HE PHE 5 -3.062 5.158 -3.241 41 HZ PHE 5 HZ PHE 5 -4.811 5.306 -4.935 42 H VAL 6 H VAL 6 -5.495 0.294 -2.645 43 HA VAL 6 HA VAL 6 -3.147 -1.107 -1.561 44 HB VAL 6 HB VAL 6 -3.066 -2.078 -3.944 45 HG11 VAL 6 1HG1 VAL 6 -5.222 -2.771 -1.930 46 HG12 VAL 6 2HG1 VAL 6 -4.713 -3.808 -3.289 47 HG13 VAL 6 3HG1 VAL 6 -3.567 -3.397 -2.010 48 HG21 VAL 6 3HG2 VAL 6 -6.013 -1.488 -3.968 49 HG22 VAL 6 1HG2 VAL 6 -4.832 -0.478 -4.863 50 HG23 VAL 6 2HG2 VAL 6 -5.018 -2.197 -5.221 51 H TYR 7 H TYR 7 -1.127 -0.778 -2.146 52 HA TYR 7 HA TYR 7 -0.231 1.779 -3.142 53 HB2 TYR 7 1HB TYR 7 1.188 -0.829 -2.364 54 HB3 TYR 7 2HB TYR 7 1.988 0.715 -2.626 55 HD1 TYR 7 2HD TYR 7 1.303 2.711 -1.229 56 HD2 TYR 7 1HD TYR 7 0.117 -1.302 -0.200 57 HE1 TYR 7 2HE TYR 7 0.577 3.505 0.929 58 HE2 TYR 7 1HE TYR 7 -0.625 -0.492 2.038 59 HH TYR 7 HH TYR 7 0.192 2.287 3.447 60 H GLY 8 H GLY 8 -0.441 -1.514 -4.354 61 HA2 GLY 8 2HA GLY 8 -0.124 -1.224 -7.088 62 HA3 GLY 8 1HA GLY 8 1.510 -1.162 -6.467 63 H THR 9 H THR 9 1.164 -2.846 -4.133 64 HA THR 9 HA THR 9 2.175 -5.093 -5.299 65 HB THR 9 HB THR 9 1.963 -5.917 -2.824 66 HG1 THR 9 1HG THR 9 1.580 -4.357 -1.398 67 HG21 THR 9 3HG2 THR 9 4.001 -4.988 -3.916 68 HG22 THR 9 1HG2 THR 9 3.847 -4.512 -2.215 69 HG23 THR 9 2HG2 THR 9 3.470 -3.348 -3.502 70 H LEU 10 H LEU 10 -1.165 -4.426 -4.438 71 HA LEU 10 HA LEU 10 -1.835 -7.049 -5.652 72 HB2 LEU 10 1HB LEU 10 -3.386 -5.883 -3.294 73 HB3 LEU 10 2HB LEU 10 -3.614 -7.405 -4.160 74 HG LEU 10 HG LEU 10 -1.113 -7.871 -3.315 75 HD11 LEU 10 1HD1 LEU 10 -0.674 -7.012 -1.089 76 HD12 LEU 10 2HD1 LEU 10 -2.204 -6.122 -1.088 77 HD13 LEU 10 3HD1 LEU 10 -0.887 -5.621 -2.154 78 HD21 LEU 10 3HD2 LEU 10 -2.960 -9.325 -2.747 79 HD22 LEU 10 1HD2 LEU 10 -3.650 -8.099 -1.643 80 HD23 LEU 10 2HD2 LEU 10 -2.132 -8.898 -1.237 81 H LYS 11 H LYS 11 -1.664 -5.266 -7.397 82 HA LYS 11 HA LYS 11 -4.287 -4.216 -8.072 83 HB2 LYS 11 1HB LYS 11 -3.378 -2.443 -6.598 84 HB3 LYS 11 2HB LYS 11 -1.983 -2.269 -7.639 85 HG2 LYS 11 1HG LYS 11 -4.648 -1.978 -8.990 86 HG3 LYS 11 2HG LYS 11 -4.254 -0.750 -7.795 87 HD2 LYS 11 1HD LYS 11 -2.025 -0.431 -8.988 88 HD3 LYS 11 2HD LYS 11 -2.673 -1.433 -10.298 89 HE2 LYS 11 1HE LYS 11 -4.252 0.964 -9.355 90 HE3 LYS 11 2HE LYS 11 -2.792 1.242 -10.305 91 HZ1 LYS 11 3HZ LYS 11 -4.709 1.106 -11.724 92 HZ2 LYS 11 1HZ LYS 11 -5.116 -0.351 -11.171 93 HZ3 LYS 11 2HZ LYS 11 -3.745 -0.182 -12.051 94 H ARG 12 H ARG 12 -0.747 -4.097 -8.897 95 HA ARG 12 HA ARG 12 -1.461 -4.291 -11.777 96 HB2 ARG 12 1HB ARG 12 1.135 -3.803 -10.274 97 HB3 ARG 12 2HB ARG 12 1.189 -4.549 -11.864 98 HG2 ARG 12 1HG ARG 12 1.481 -2.372 -12.405 99 HG3 ARG 12 2HG ARG 12 -0.243 -2.611 -12.727 100 HD2 ARG 12 1HD ARG 12 -0.536 -1.703 -10.291 101 HD3 ARG 12 2HD ARG 12 1.146 -1.209 -10.442 102 HE ARG 12 HE ARG 12 -0.565 -0.395 -12.668 103 HH11 ARG 12 1HH1 ARG 12 1.117 0.668 -9.779 104 HH12 ARG 12 2HH1 ARG 12 0.286 2.169 -9.579 105 HH21 ARG 12 1HH2 ARG 12 -1.244 1.814 -12.849 106 HH22 ARG 12 2HH2 ARG 12 -0.839 2.948 -11.642 107 H GLY 13 H GLY 13 1.165 -6.096 -10.302 108 HA2 GLY 13 2HA GLY 13 -0.141 -8.670 -10.510 109 HA3 GLY 13 1HA GLY 13 0.927 -8.282 -11.873 110 H GLN 14 H GLN 14 1.427 -7.180 -8.579 111 HA GLN 14 HA GLN 14 4.237 -7.916 -8.465 112 HB2 GLN 14 1HB GLN 14 2.228 -6.581 -6.779 113 HB3 GLN 14 2HB GLN 14 3.471 -7.435 -5.896 114 HG2 GLN 14 1HG GLN 14 4.297 -5.285 -6.090 115 HG3 GLN 14 2HG GLN 14 5.177 -6.143 -7.341 116 HE21 GLN 14 1HE2 GLN 14 4.301 -5.885 -9.648 117 HE22 GLN 14 2HE2 GLN 14 3.514 -4.423 -10.083 118 HA PRO 15 HA PRO 15 4.249 -12.014 -7.109 119 HB2 PRO 15 1HB PRO 15 5.918 -11.979 -4.825 120 HB3 PRO 15 2HB PRO 15 6.455 -12.078 -6.526 121 HG2 PRO 15 1HG PRO 15 6.275 -9.713 -4.696 122 HG3 PRO 15 2HG PRO 15 7.511 -10.061 -5.949 123 HD2 PRO 15 1HD PRO 15 5.499 -8.260 -6.245 124 HD3 PRO 15 2HD PRO 15 6.140 -9.165 -7.621 125 H ASN 16 H ASN 16 3.063 -9.607 -4.923 126 HA ASN 16 HA ASN 16 2.268 -11.506 -2.854 127 HB2 ASN 16 1HB ASN 16 1.384 -8.607 -3.065 128 HB3 ASN 16 2HB ASN 16 1.603 -9.590 -1.616 129 HD21 ASN 16 1HD2 ASN 16 3.041 -7.449 -3.873 130 HD22 ASN 16 2HD2 ASN 16 4.679 -7.438 -3.263 131 H HIS 17 H HIS 17 0.904 -10.389 -5.895 132 HA HIS 17 HA HIS 17 -1.640 -9.706 -5.014 133 HB2 HIS 17 1HB HIS 17 -0.430 -9.424 -7.306 134 HB3 HIS 17 2HB HIS 17 -1.144 -10.964 -7.736 135 HD1 HIS 17 1HD HIS 17 -1.721 -7.558 -8.443 136 HD2 HIS 17 2HD HIS 17 -4.163 -10.694 -7.002 137 HE1 HIS 17 1HE HIS 17 -4.144 -6.958 -9.038 138 H LYS 18 H LYS 18 -0.506 -13.038 -5.819 139 HA LYS 18 HA LYS 18 -3.084 -14.220 -5.661 140 HB2 LYS 18 1HB LYS 18 -2.039 -16.349 -5.440 141 HB3 LYS 18 2HB LYS 18 -1.210 -15.367 -6.623 142 HG2 LYS 18 1HG LYS 18 0.476 -16.475 -5.577 143 HG3 LYS 18 2HG LYS 18 0.556 -14.885 -4.798 144 HD2 LYS 18 1HD LYS 18 -0.437 -15.837 -2.773 145 HD3 LYS 18 2HD LYS 18 -0.723 -17.376 -3.597 146 HE2 LYS 18 1HE LYS 18 2.082 -16.569 -3.867 147 HE3 LYS 18 2HE LYS 18 1.604 -16.516 -2.170 148 HZ1 LYS 18 3HZ LYS 18 0.929 -18.754 -2.251 149 HZ2 LYS 18 1HZ LYS 18 2.466 -18.701 -2.842 150 HZ3 LYS 18 2HZ LYS 18 1.172 -18.903 -3.854 151 H VAL 19 H VAL 19 -1.364 -12.811 -2.982 152 HA VAL 19 HA VAL 19 -2.213 -14.693 -1.026 153 HB VAL 19 HB VAL 19 -1.633 -13.049 0.614 154 HG11 VAL 19 1HG1 VAL 19 0.141 -14.390 -0.315 155 HG12 VAL 19 2HG1 VAL 19 0.351 -13.293 -1.690 156 HG13 VAL 19 3HG1 VAL 19 0.744 -12.744 -0.078 157 HG21 VAL 19 3HG2 VAL 19 -0.505 -10.854 -0.509 158 HG22 VAL 19 1HG2 VAL 19 -1.972 -11.070 -1.494 159 HG23 VAL 19 2HG2 VAL 19 -2.082 -10.937 0.263 160 H MET 20 H MET 20 -3.828 -11.818 -2.419 161 HA MET 20 HA MET 20 -6.030 -11.983 -0.539 162 HB2 MET 20 1HB MET 20 -7.058 -10.239 -1.757 163 HB3 MET 20 2HB MET 20 -5.373 -9.826 -1.562 164 HG2 MET 20 1HG MET 20 -4.893 -9.991 -3.802 165 HG3 MET 20 2HG MET 20 -6.185 -11.131 -4.134 166 HE1 MET 20 3HE MET 20 -7.128 -6.648 -3.332 167 HE2 MET 20 1HE MET 20 -6.762 -7.788 -2.030 168 HE3 MET 20 2HE MET 20 -5.497 -7.292 -3.157 169 H LEU 21 H LEU 21 -5.274 -13.942 -3.176 170 HA LEU 21 HA LEU 21 -7.994 -14.120 -4.273 171 HB2 LEU 21 1HB LEU 21 -5.471 -15.734 -4.866 172 HB3 LEU 21 2HB LEU 21 -6.971 -15.800 -5.774 173 HG LEU 21 HG LEU 21 -5.098 -13.425 -5.587 174 HD11 LEU 21 1HD1 LEU 21 -4.421 -15.315 -7.078 175 HD12 LEU 21 2HD1 LEU 21 -4.766 -13.834 -7.984 176 HD13 LEU 21 3HD1 LEU 21 -5.949 -15.179 -7.942 177 HD21 LEU 21 3HD2 LEU 21 -7.368 -12.541 -5.652 178 HD22 LEU 21 1HD2 LEU 21 -7.787 -13.595 -7.005 179 HD23 LEU 21 2HD2 LEU 21 -6.589 -12.279 -7.189 180 H ASP 22 H ASP 22 -6.339 -15.510 -1.605 181 HA ASP 22 HA ASP 22 -8.018 -17.974 -1.709 182 HB2 ASP 22 1HB ASP 22 -5.467 -17.356 -0.232 183 HB3 ASP 22 2HB ASP 22 -6.426 -18.812 0.021 184 H HIS 23 H HIS 23 -9.884 -17.214 -0.885 185 HA HIS 23 HA HIS 23 -10.276 -15.112 0.802 186 HB2 HIS 23 1HB HIS 23 -12.008 -16.174 -0.540 187 HB3 HIS 23 2HB HIS 23 -11.977 -17.610 0.501 188 HD1 HIS 23 1HD HIS 23 -14.082 -17.534 2.080 189 HD2 HIS 23 2HD HIS 23 -12.392 -13.783 1.147 190 HE1 HIS 23 1HE HIS 23 -15.442 -15.813 3.349 191 H SER 24 H SER 24 -9.244 -18.309 1.893 192 HA SER 24 HA SER 24 -9.944 -18.023 4.658 193 HB2 SER 24 1HB SER 24 -7.811 -19.639 3.458 194 HB3 SER 24 2HB SER 24 -8.556 -19.882 5.045 195 HG SER 24 HG SER 24 -9.383 -21.217 3.247 196 H HIS 25 H HIS 25 -7.345 -16.580 2.750 197 HA HIS 25 HA HIS 25 -5.797 -15.778 5.124 198 HB2 HIS 25 1HB HIS 25 -5.712 -14.775 2.256 199 HB3 HIS 25 2HB HIS 25 -4.553 -14.418 3.530 200 HD1 HIS 25 1HD HIS 25 -3.748 -15.905 0.766 201 HD2 HIS 25 2HD HIS 25 -4.737 -17.806 4.409 202 HE1 HIS 25 1HE HIS 25 -2.717 -18.242 0.688 203 H GLY 26 H GLY 26 -8.508 -14.641 3.125 204 HA2 GLY 26 2HA GLY 26 -10.000 -13.494 4.872 205 HA3 GLY 26 1HA GLY 26 -8.788 -12.211 4.748 206 H LEU 27 H LEU 27 -11.194 -11.424 4.155 207 HA LEU 27 HA LEU 27 -11.897 -11.751 1.347 208 HB2 LEU 27 1HB LEU 27 -13.553 -11.546 3.208 209 HB3 LEU 27 2HB LEU 27 -12.937 -9.918 3.520 210 HG LEU 27 HG LEU 27 -13.739 -9.139 1.329 211 HD11 LEU 27 1HD1 LEU 27 -15.221 -10.737 -0.015 212 HD12 LEU 27 2HD1 LEU 27 -14.517 -12.061 0.958 213 HD13 LEU 27 3HD1 LEU 27 -13.495 -11.085 -0.086 214 HD21 LEU 27 3HD2 LEU 27 -15.835 -10.708 2.892 215 HD22 LEU 27 1HD2 LEU 27 -16.149 -9.380 1.744 216 HD23 LEU 27 2HD2 LEU 27 -15.270 -9.065 3.243 217 H ALA 28 H ALA 28 -11.536 -10.323 -0.287 218 HA ALA 28 HA ALA 28 -10.806 -7.508 0.265 219 HB1 ALA 28 1HB ALA 28 -8.661 -8.661 -0.035 220 HB2 ALA 28 2HB ALA 28 -9.235 -9.350 -1.573 221 HB3 ALA 28 3HB ALA 28 -9.008 -7.595 -1.418 222 H ALA 29 H ALA 29 -12.811 -6.755 -0.526 223 HA ALA 29 HA ALA 29 -13.804 -7.748 -3.155 224 HB1 ALA 29 1HB ALA 29 -15.341 -8.051 -1.245 225 HB2 ALA 29 2HB ALA 29 -15.262 -6.313 -0.899 226 HB3 ALA 29 3HB ALA 29 -15.969 -6.871 -2.423 227 H PHE 30 H PHE 30 -13.918 -6.345 -4.807 228 HA PHE 30 HA PHE 30 -12.359 -3.915 -4.759 229 HB2 PHE 30 1HB PHE 30 -12.617 -5.642 -6.624 230 HB3 PHE 30 2HB PHE 30 -14.153 -4.892 -7.004 231 HD1 PHE 30 1HD PHE 30 -13.737 -2.017 -7.099 232 HD2 PHE 30 2HD PHE 30 -10.974 -5.169 -8.143 233 HE1 PHE 30 1HE PHE 30 -12.479 -0.443 -8.565 234 HE2 PHE 30 2HE PHE 30 -9.761 -3.595 -9.615 235 HZ PHE 30 HZ PHE 30 -10.507 -1.257 -9.824 236 H ARG 31 H ARG 31 -13.149 -2.141 -3.787 237 HA ARG 31 HA ARG 31 -15.985 -1.244 -4.281 238 HB2 ARG 31 1HB ARG 31 -14.241 -1.179 -1.738 239 HB3 ARG 31 2HB ARG 31 -15.626 -0.137 -1.918 240 HG2 ARG 31 1HG ARG 31 -15.678 -3.153 -1.762 241 HG3 ARG 31 2HG ARG 31 -16.218 -1.941 -0.564 242 HD2 ARG 31 1HD ARG 31 -17.965 -1.151 -2.030 243 HD3 ARG 31 2HD ARG 31 -17.511 -2.403 -3.232 244 HE ARG 31 HE ARG 31 -18.024 -3.392 -0.522 245 HH11 ARG 31 1HH1 ARG 31 -19.538 -2.559 -3.639 246 HH12 ARG 31 2HH1 ARG 31 -20.943 -3.527 -3.422 247 HH21 ARG 31 1HH2 ARG 31 -19.899 -4.636 -0.162 248 HH22 ARG 31 2HH2 ARG 31 -21.193 -4.694 -1.317 249 H GLY 32 H GLY 32 -14.609 -0.471 -6.181 250 HA2 GLY 32 2HA GLY 32 -14.609 1.680 -7.165 251 HA3 GLY 32 1HA GLY 32 -14.297 2.397 -5.569 252 H ARG 33 H ARG 33 -12.772 3.584 -7.070 253 HA ARG 33 HA ARG 33 -10.143 2.317 -6.948 254 HB2 ARG 33 1HB ARG 33 -9.398 2.888 -9.106 255 HB3 ARG 33 2HB ARG 33 -10.880 1.930 -9.227 256 HG2 ARG 33 1HG ARG 33 -12.023 4.322 -9.316 257 HG3 ARG 33 2HG ARG 33 -10.402 4.845 -9.840 258 HD2 ARG 33 1HD ARG 33 -10.526 3.169 -11.684 259 HD3 ARG 33 2HD ARG 33 -12.097 2.658 -11.010 260 HE ARG 33 HE ARG 33 -11.625 5.468 -11.929 261 HH11 ARG 33 1HH1 ARG 33 -13.343 2.449 -12.816 262 HH12 ARG 33 2HH1 ARG 33 -14.818 3.279 -13.167 263 HH21 ARG 33 1HH2 ARG 33 -13.711 6.459 -12.270 264 HH22 ARG 33 2HH2 ARG 33 -14.988 5.552 -12.921 265 H GLY 34 H GLY 34 -8.315 4.215 -7.064 266 HA2 GLY 34 2HA GLY 34 -9.311 6.873 -6.668 267 HA3 GLY 34 1HA GLY 34 -9.009 6.060 -5.125 268 H CYS 35 H CYS 35 -7.750 8.217 -5.264 269 HA CYS 35 HA CYS 35 -4.962 7.398 -5.627 270 HB2 CYS 35 1HB CYS 35 -4.350 9.427 -6.664 271 HB3 CYS 35 2HB CYS 35 -5.516 8.595 -7.692 272 HG CYS 35 HG CYS 35 -7.521 10.171 -7.003 273 H THR 36 H THR 36 -3.574 8.208 -3.993 274 HA THR 36 HA THR 36 -4.925 9.265 -1.621 275 HB THR 36 HB THR 36 -2.505 9.347 -0.814 276 HG1 THR 36 1HG THR 36 -1.112 9.087 -2.318 277 HG21 THR 36 3HG2 THR 36 -2.883 7.305 0.053 278 HG22 THR 36 1HG2 THR 36 -2.650 6.531 -1.506 279 HG23 THR 36 2HG2 THR 36 -4.257 7.116 -1.066 280 H VAL 37 H VAL 37 -5.715 11.262 -1.956 281 HA VAL 37 HA VAL 37 -4.555 13.157 -3.787 282 HB VAL 37 HB VAL 37 -6.110 14.768 -2.558 283 HG11 VAL 37 1HG1 VAL 37 -7.167 12.281 -3.894 284 HG12 VAL 37 2HG1 VAL 37 -8.073 13.823 -3.688 285 HG13 VAL 37 3HG1 VAL 37 -6.624 13.756 -4.698 286 HG21 VAL 37 3HG2 VAL 37 -6.355 13.542 -0.413 287 HG22 VAL 37 1HG2 VAL 37 -7.889 13.903 -1.215 288 HG23 VAL 37 2HG2 VAL 37 -7.249 12.264 -1.293 289 H GLU 38 H GLU 38 -4.159 12.523 -0.388 290 HA GLU 38 HA GLU 38 -2.485 14.848 0.139 291 HB2 GLU 38 1HB GLU 38 -3.437 12.417 1.612 292 HB3 GLU 38 2HB GLU 38 -1.741 12.806 1.884 293 HG2 GLU 38 1HG GLU 38 -2.621 14.073 3.500 294 HG3 GLU 38 2HG GLU 38 -2.572 15.260 2.210 295 H SER 39 H SER 39 -0.590 15.028 -0.871 296 HA SER 39 HA SER 39 0.632 12.837 -2.205 297 HB2 SER 39 1HB SER 39 2.101 14.331 -2.930 298 HB3 SER 39 2HB SER 39 1.035 15.493 -2.222 299 HG SER 39 HG SER 39 3.101 15.886 -1.818 300 H PHE 40 H PHE 40 2.695 11.962 -1.574 301 HA PHE 40 HA PHE 40 3.336 11.890 1.331 302 HB2 PHE 40 1HB PHE 40 2.219 9.438 -0.107 303 HB3 PHE 40 2HB PHE 40 3.220 9.341 1.289 304 HD1 PHE 40 1HD PHE 40 2.350 10.899 3.404 305 HD2 PHE 40 2HD PHE 40 -0.081 9.224 0.272 306 HE1 PHE 40 1HE PHE 40 0.383 10.791 4.942 307 HE2 PHE 40 2HE PHE 40 -1.992 9.142 1.776 308 HZ PHE 40 HZ PHE 40 -1.789 9.801 4.119 309 HA PRO 41 HA PRO 41 7.268 11.105 -0.695 310 HB2 PRO 41 1HB PRO 41 8.780 10.320 1.446 311 HB3 PRO 41 2HB PRO 41 8.234 12.025 1.192 312 HG2 PRO 41 1HG PRO 41 6.919 9.886 2.910 313 HG3 PRO 41 2HG PRO 41 7.329 11.566 3.377 314 HD2 PRO 41 1HD PRO 41 4.871 10.729 2.597 315 HD3 PRO 41 2HD PRO 41 5.497 12.334 2.118 316 H LEU 42 H LEU 42 6.593 9.166 -1.993 317 HA LEU 42 HA LEU 42 6.803 6.616 -0.642 318 HB2 LEU 42 1HB LEU 42 5.119 6.558 -2.134 319 HB3 LEU 42 2HB LEU 42 5.881 7.596 -3.276 320 HG LEU 42 HG LEU 42 7.188 5.670 -4.160 321 HD11 LEU 42 1HD1 LEU 42 7.407 4.178 -2.388 322 HD12 LEU 42 2HD1 LEU 42 6.397 3.343 -3.572 323 HD13 LEU 42 3HD1 LEU 42 5.673 4.102 -2.127 324 HD21 LEU 42 3HD2 LEU 42 5.395 4.560 -5.341 325 HD22 LEU 42 1HD2 LEU 42 5.017 6.281 -5.178 326 HD23 LEU 42 2HD2 LEU 42 4.220 5.119 -4.130 327 H VAL 43 H VAL 43 9.105 6.237 0.095 328 HA VAL 43 HA VAL 43 11.111 6.529 -1.834 329 HB VAL 43 HB VAL 43 10.994 5.957 1.168 330 HG11 VAL 43 1HG1 VAL 43 13.107 6.629 -0.546 331 HG12 VAL 43 2HG1 VAL 43 13.062 6.690 1.332 332 HG13 VAL 43 3HG1 VAL 43 12.792 5.186 0.455 333 HG21 VAL 43 3HG2 VAL 43 11.637 8.597 -0.238 334 HG22 VAL 43 1HG2 VAL 43 10.073 8.369 0.549 335 HG23 VAL 43 2HG2 VAL 43 11.546 8.359 1.511 336 H ILE 44 H ILE 44 12.436 4.904 -2.055 337 HA ILE 44 HA ILE 44 11.576 2.101 -1.472 338 HB ILE 44 HB ILE 44 12.901 3.042 -4.055 339 HG12 ILE 44 1HG1 ILE 44 10.075 2.051 -3.480 340 HG13 ILE 44 2HG1 ILE 44 10.515 3.699 -3.910 341 HG21 ILE 44 1HG2 ILE 44 12.078 0.306 -2.980 342 HG22 ILE 44 2HG2 ILE 44 12.503 0.595 -4.681 343 HG23 ILE 44 3HG2 ILE 44 13.700 0.835 -3.419 344 HD11 ILE 44 3HD1 ILE 44 11.322 2.880 -6.126 345 HD12 ILE 44 1HD1 ILE 44 10.622 1.289 -5.739 346 HD13 ILE 44 2HD1 ILE 44 9.578 2.713 -5.841 347 H ALA 45 H ALA 45 12.937 1.239 -0.016 348 HA ALA 45 HA ALA 45 15.816 2.017 -0.070 349 HB1 ALA 45 1HB ALA 45 14.087 2.007 2.396 350 HB2 ALA 45 2HB ALA 45 15.804 2.434 2.236 351 HB3 ALA 45 3HB ALA 45 14.577 3.468 1.495 352 H GLY 46 H GLY 46 17.191 0.635 0.926 353 HA2 GLY 46 2HA GLY 46 17.939 -1.211 2.106 354 HA3 GLY 46 1HA GLY 46 16.289 -1.786 2.254 355 H GLU 47 H GLU 47 18.296 -3.634 1.497 356 HA GLU 47 HA GLU 47 18.902 -3.757 -1.168 357 HB2 GLU 47 1HB GLU 47 19.478 -5.264 1.102 358 HB3 GLU 47 2HB GLU 47 18.560 -6.401 0.141 359 HG2 GLU 47 1HG GLU 47 20.503 -6.845 -0.923 360 HG3 GLU 47 2HG GLU 47 20.261 -5.338 -1.786 361 H HIS 48 H HIS 48 15.857 -4.738 0.176 362 HA HIS 48 HA HIS 48 15.569 -6.740 -1.917 363 HB2 HIS 48 1HB HIS 48 13.491 -6.257 0.167 364 HB3 HIS 48 2HB HIS 48 13.942 -7.730 -0.491 365 HD1 HIS 48 1HD HIS 48 14.607 -5.509 2.475 366 HD2 HIS 48 2HD HIS 48 16.578 -8.522 0.338 367 HE1 HIS 48 1HE HIS 48 16.593 -6.203 3.914 368 H ASN 49 H ASN 49 15.069 -3.609 -1.827 369 HA ASN 49 HA ASN 49 13.977 -2.076 -2.988 370 HB2 ASN 49 1HB ASN 49 12.838 -4.298 -4.682 371 HB3 ASN 49 2HB ASN 49 13.050 -2.644 -5.191 372 HD21 ASN 49 1HD2 ASN 49 15.400 -1.921 -5.627 373 HD22 ASN 49 2HD2 ASN 49 16.577 -3.191 -5.823 374 H ILE 50 H ILE 50 12.932 -2.273 -0.778 375 HA ILE 50 HA ILE 50 10.125 -3.034 -0.676 376 HB ILE 50 HB ILE 50 12.009 -2.481 1.629 377 HG12 ILE 50 1HG1 ILE 50 10.925 -5.093 0.488 378 HG13 ILE 50 2HG1 ILE 50 12.552 -4.507 0.281 379 HG21 ILE 50 1HG2 ILE 50 10.183 -2.676 2.962 380 HG22 ILE 50 2HG2 ILE 50 9.148 -2.622 1.511 381 HG23 ILE 50 3HG2 ILE 50 9.659 -4.152 2.148 382 HD11 ILE 50 3HD1 ILE 50 11.264 -5.388 2.927 383 HD12 ILE 50 1HD1 ILE 50 12.539 -6.217 2.058 384 HD13 ILE 50 2HD1 ILE 50 12.866 -4.653 2.816 385 HA PRO 51 HA PRO 51 9.576 1.576 -0.900 386 HB2 PRO 51 1HB PRO 51 6.898 1.537 -1.451 387 HB3 PRO 51 2HB PRO 51 8.158 1.379 -2.692 388 HG2 PRO 51 1HG PRO 51 6.389 -0.722 -1.592 389 HG3 PRO 51 2HG PRO 51 7.194 -0.629 -3.165 390 HD2 PRO 51 1HD PRO 51 8.050 -2.073 -0.823 391 HD3 PRO 51 2HD PRO 51 8.890 -1.965 -2.376 392 H TRP 52 H TRP 52 9.019 2.817 0.790 393 HA TRP 52 HA TRP 52 7.573 1.625 3.125 394 HB2 TRP 52 1HB TRP 52 9.925 3.534 3.125 395 HB3 TRP 52 2HB TRP 52 9.047 2.995 4.535 396 HD1 TRP 52 HD TRP 52 11.645 1.797 2.024 397 HE1 TRP 52 1HE TRP 52 12.705 -0.361 2.864 398 HE3 TRP 52 3HE TRP 52 8.587 0.969 6.003 399 HZ2 TRP 52 2HZ TRP 52 12.402 -2.137 5.245 400 HZ3 TRP 52 3HZ TRP 52 8.978 -0.863 7.548 401 HH2 TRP 52 HH TRP 52 10.915 -2.439 7.179 402 H LEU 53 H LEU 53 5.533 2.792 3.118 403 HA LEU 53 HA LEU 53 5.518 5.430 1.859 404 HB2 LEU 53 1HB LEU 53 3.633 3.693 1.757 405 HB3 LEU 53 2HB LEU 53 3.306 4.088 3.449 406 HG LEU 53 HG LEU 53 3.187 6.561 2.549 407 HD11 LEU 53 1HD1 LEU 53 3.875 5.857 0.164 408 HD12 LEU 53 2HD1 LEU 53 2.406 6.843 0.316 409 HD13 LEU 53 3HD1 LEU 53 2.281 5.086 0.084 410 HD21 LEU 53 3HD2 LEU 53 0.677 5.798 1.718 411 HD22 LEU 53 1HD2 LEU 53 1.174 6.050 3.389 412 HD23 LEU 53 2HD2 LEU 53 1.192 4.420 2.741 413 H LEU 54 H LEU 54 7.162 6.412 3.371 414 HA LEU 54 HA LEU 54 7.028 6.849 6.047 415 HB2 LEU 54 1HB LEU 54 8.035 8.227 3.546 416 HB3 LEU 54 2HB LEU 54 7.998 9.155 5.028 417 HG LEU 54 HG LEU 54 9.291 7.487 6.151 418 HD11 LEU 54 1HD1 LEU 54 8.814 5.552 4.882 419 HD12 LEU 54 2HD1 LEU 54 10.561 5.839 4.846 420 HD13 LEU 54 3HD1 LEU 54 9.548 6.295 3.435 421 HD21 LEU 54 3HD2 LEU 54 10.338 9.515 5.074 422 HD22 LEU 54 1HD2 LEU 54 10.547 8.572 3.584 423 HD23 LEU 54 2HD2 LEU 54 11.455 8.127 5.039 424 H TYR 55 H TYR 55 5.587 7.868 7.379 425 HA TYR 55 HA TYR 55 3.230 8.933 6.195 426 HB2 TYR 55 1HB TYR 55 3.343 7.642 8.364 427 HB3 TYR 55 2HB TYR 55 3.931 9.084 9.138 428 HD1 TYR 55 2HD TYR 55 1.180 8.647 6.520 429 HD2 TYR 55 1HD TYR 55 2.135 9.762 10.588 430 HE1 TYR 55 2HE TYR 55 -1.149 9.309 6.870 431 HE2 TYR 55 1HE TYR 55 -0.214 10.500 10.902 432 HH TYR 55 HH TYR 55 -2.759 9.940 8.454 433 H LEU 56 H LEU 56 3.889 10.743 4.860 434 HA LEU 56 HA LEU 56 3.976 13.174 6.548 435 HB2 LEU 56 1HB LEU 56 6.296 12.399 5.394 436 HB3 LEU 56 2HB LEU 56 5.674 13.339 4.096 437 HG LEU 56 HG LEU 56 6.860 14.929 5.221 438 HD11 LEU 56 1HD1 LEU 56 5.467 16.449 6.512 439 HD12 LEU 56 2HD1 LEU 56 4.232 15.245 6.751 440 HD13 LEU 56 3HD1 LEU 56 4.551 15.834 5.109 441 HD21 LEU 56 3HD2 LEU 56 7.079 15.112 7.652 442 HD22 LEU 56 1HD2 LEU 56 7.589 13.539 7.055 443 HD23 LEU 56 2HD2 LEU 56 6.006 13.697 7.860 444 HA PRO 57 HA PRO 57 0.630 13.149 3.408 445 HB2 PRO 57 1HB PRO 57 -1.164 14.644 4.971 446 HB3 PRO 57 2HB PRO 57 -1.057 12.859 4.879 447 HG2 PRO 57 1HG PRO 57 -0.028 14.733 6.957 448 HG3 PRO 57 2HG PRO 57 -0.638 13.068 7.162 449 HD2 PRO 57 1HD PRO 57 2.030 13.779 7.147 450 HD3 PRO 57 2HD PRO 57 1.442 12.156 6.663 451 H GLY 58 H GLY 58 0.977 14.502 1.762 452 HA2 GLY 58 2HA GLY 58 0.620 16.479 0.618 453 HA3 GLY 58 1HA GLY 58 0.676 17.411 2.102 454 H LYS 59 H LYS 59 3.315 15.054 1.703 455 HA LYS 59 HA LYS 59 4.925 16.970 0.232 456 HB2 LYS 59 1HB LYS 59 5.615 15.396 2.793 457 HB3 LYS 59 2HB LYS 59 6.859 15.650 1.569 458 HG2 LYS 59 1HG LYS 59 7.144 17.364 3.154 459 HG3 LYS 59 2HG LYS 59 6.495 18.012 1.630 460 HD2 LYS 59 1HD LYS 59 4.777 18.971 2.601 461 HD3 LYS 59 2HD LYS 59 4.305 17.464 3.370 462 HE2 LYS 59 1HE LYS 59 5.637 17.892 5.298 463 HE3 LYS 59 2HE LYS 59 6.611 19.101 4.473 464 HZ1 LYS 59 3HZ LYS 59 3.745 19.427 5.117 465 HZ2 LYS 59 1HZ LYS 59 4.744 20.579 4.479 466 HZ3 LYS 59 2HZ LYS 59 4.926 20.027 6.032 467 H GLY 60 H GLY 60 6.099 16.068 -1.292 468 HA2 GLY 60 2HA GLY 60 6.846 14.349 -2.775 469 HA3 GLY 60 1HA GLY 60 6.083 13.120 -1.754 470 H HIS 61 H HIS 61 4.373 12.147 -2.912 471 HA HIS 61 HA HIS 61 3.002 13.720 -5.040 472 HB2 HIS 61 1HB HIS 61 4.591 11.169 -5.500 473 HB3 HIS 61 2HB HIS 61 3.692 12.105 -6.696 474 HD1 HIS 61 1HD HIS 61 4.632 14.812 -6.873 475 HD2 HIS 61 2HD HIS 61 7.081 11.766 -5.322 476 HE1 HIS 61 1HE HIS 61 6.975 15.815 -6.655 477 H CYS 62 H CYS 62 1.403 12.204 -6.295 478 HA CYS 62 HA CYS 62 -0.274 11.048 -4.170 479 HB2 CYS 62 1HB CYS 62 -1.164 11.981 -6.904 480 HB3 CYS 62 2HB CYS 62 -2.143 11.647 -5.480 481 HG CYS 62 HG CYS 62 -2.200 14.166 -5.743 482 H VAL 63 H VAL 63 -0.178 8.920 -3.975 483 HA VAL 63 HA VAL 63 0.547 7.220 -6.154 484 HB VAL 63 HB VAL 63 -0.541 6.435 -3.452 485 HG11 VAL 63 1HG1 VAL 63 -0.450 4.590 -5.104 486 HG12 VAL 63 2HG1 VAL 63 1.251 4.987 -5.463 487 HG13 VAL 63 3HG1 VAL 63 0.782 4.377 -3.863 488 HG21 VAL 63 3HG2 VAL 63 1.348 7.880 -3.046 489 HG22 VAL 63 1HG2 VAL 63 1.843 6.225 -2.766 490 HG23 VAL 63 2HG2 VAL 63 2.326 7.034 -4.276 491 H THR 64 H THR 64 -0.775 6.688 -7.769 492 HA THR 64 HA THR 64 -3.685 6.616 -7.332 493 HB THR 64 HB THR 64 -3.837 6.085 -9.683 494 HG1 THR 64 1HG THR 64 -1.377 6.487 -10.531 495 HG21 THR 64 3HG2 THR 64 -3.474 8.450 -8.882 496 HG22 THR 64 1HG2 THR 64 -2.976 8.148 -10.559 497 HG23 THR 64 2HG2 THR 64 -1.754 8.269 -9.269 498 H GLY 65 H GLY 65 -5.040 4.720 -7.337 499 HA2 GLY 65 2HA GLY 65 -3.942 2.092 -7.449 500 HA3 GLY 65 1HA GLY 65 -4.150 2.666 -5.771 501 H GLU 66 H GLU 66 -5.703 0.838 -5.678 502 HA GLU 66 HA GLU 66 -8.360 1.514 -6.687 503 HB2 GLU 66 1HB GLU 66 -6.762 -0.979 -7.236 504 HB3 GLU 66 2HB GLU 66 -8.522 -1.128 -7.036 505 HG2 GLU 66 1HG GLU 66 -9.018 0.152 -8.919 506 HG3 GLU 66 2HG GLU 66 -7.540 1.066 -8.843 507 H ILE 67 H ILE 67 -10.042 -0.011 -5.394 508 HA ILE 67 HA ILE 67 -9.143 0.131 -2.555 509 HB ILE 67 HB ILE 67 -11.623 1.255 -3.799 510 HG12 ILE 67 1HG1 ILE 67 -9.332 2.255 -2.070 511 HG13 ILE 67 2HG1 ILE 67 -9.527 2.590 -3.778 512 HG21 ILE 67 1HG2 ILE 67 -10.960 0.613 -0.870 513 HG22 ILE 67 2HG2 ILE 67 -12.311 1.659 -1.393 514 HG23 ILE 67 3HG2 ILE 67 -12.318 -0.026 -1.814 515 HD11 ILE 67 3HD1 ILE 67 -10.062 4.456 -2.301 516 HD12 ILE 67 1HD1 ILE 67 -11.437 3.996 -3.409 517 HD13 ILE 67 2HD1 ILE 67 -11.453 3.591 -1.670 518 H TYR 68 H TYR 68 -9.425 -1.615 -1.401 519 HA TYR 68 HA TYR 68 -11.475 -3.553 -2.197 520 HB2 TYR 68 1HB TYR 68 -8.779 -4.165 -0.954 521 HB3 TYR 68 2HB TYR 68 -10.069 -5.325 -1.285 522 HD1 TYR 68 1HD TYR 68 -10.837 -5.640 -3.738 523 HD2 TYR 68 2HD TYR 68 -7.204 -3.559 -2.695 524 HE1 TYR 68 1HE TYR 68 -10.048 -5.844 -6.077 525 HE2 TYR 68 2HE TYR 68 -6.403 -3.848 -5.016 526 HH TYR 68 HH TYR 68 -8.199 -5.542 -7.585 527 H GLU 69 H GLU 69 -12.979 -3.734 -0.742 528 HA GLU 69 HA GLU 69 -12.878 -2.803 2.041 529 HB2 GLU 69 1HB GLU 69 -14.944 -2.831 0.749 530 HB3 GLU 69 2HB GLU 69 -14.799 -4.561 0.453 531 HG2 GLU 69 1HG GLU 69 -15.096 -4.989 2.858 532 HG3 GLU 69 2HG GLU 69 -15.086 -3.252 3.189 533 H VAL 70 H VAL 70 -12.311 -4.163 3.745 534 HA VAL 70 HA VAL 70 -11.472 -6.911 3.068 535 HB VAL 70 HB VAL 70 -9.355 -6.507 4.324 536 HG11 VAL 70 1HG1 VAL 70 -8.115 -5.579 2.454 537 HG12 VAL 70 2HG1 VAL 70 -9.442 -6.567 1.820 538 HG13 VAL 70 3HG1 VAL 70 -9.574 -4.804 1.806 539 HG21 VAL 70 3HG2 VAL 70 -9.925 -3.545 3.944 540 HG22 VAL 70 1HG2 VAL 70 -9.922 -4.416 5.493 541 HG23 VAL 70 2HG2 VAL 70 -8.428 -4.285 4.556 542 H ASP 71 H ASP 71 -11.672 -8.341 4.759 543 HA ASP 71 HA ASP 71 -13.170 -7.216 7.065 544 HB2 ASP 71 1HB ASP 71 -13.553 -9.686 5.605 545 HB3 ASP 71 2HB ASP 71 -13.196 -10.022 7.287 546 H GLU 72 H GLU 72 -12.791 -8.854 8.981 547 HA GLU 72 HA GLU 72 -10.313 -7.790 9.976 548 HB2 GLU 72 1HB GLU 72 -12.575 -9.233 11.162 549 HB3 GLU 72 2HB GLU 72 -11.024 -9.788 11.837 550 HG2 GLU 72 1HG GLU 72 -10.344 -7.458 12.250 551 HG3 GLU 72 2HG GLU 72 -11.860 -6.897 11.525 552 H GLN 73 H GLN 73 -11.086 -11.012 8.663 553 HA GLN 73 HA GLN 73 -8.649 -12.154 9.625 554 HB2 GLN 73 1HB GLN 73 -10.706 -13.382 8.657 555 HB3 GLN 73 2HB GLN 73 -10.032 -12.992 7.073 556 HG2 GLN 73 1HG GLN 73 -9.420 -15.271 7.816 557 HG3 GLN 73 2HG GLN 73 -7.990 -14.253 7.594 558 HE21 GLN 73 1HE2 GLN 73 -6.592 -14.032 9.344 559 HE22 GLN 73 2HE2 GLN 73 -6.993 -14.433 11.002 560 H MET 74 H MET 74 -9.499 -10.339 6.710 561 HA MET 74 HA MET 74 -6.972 -10.777 5.327 562 HB2 MET 74 1HB MET 74 -8.936 -10.123 4.051 563 HB3 MET 74 2HB MET 74 -9.220 -8.719 5.042 564 HG2 MET 74 1HG MET 74 -8.235 -8.141 2.883 565 HG3 MET 74 2HG MET 74 -7.219 -7.623 4.218 566 HE1 MET 74 3HE MET 74 -7.199 -11.520 2.914 567 HE2 MET 74 1HE MET 74 -8.066 -10.404 1.835 568 HE3 MET 74 2HE MET 74 -6.512 -11.107 1.339 569 H LEU 75 H LEU 75 -8.383 -8.058 7.241 570 HA LEU 75 HA LEU 75 -6.064 -6.500 7.054 571 HB2 LEU 75 1HB LEU 75 -8.498 -6.018 8.081 572 HB3 LEU 75 2HB LEU 75 -7.677 -6.394 9.594 573 HG LEU 75 HG LEU 75 -5.871 -4.711 8.877 574 HD11 LEU 75 1HD1 LEU 75 -6.560 -2.940 7.280 575 HD12 LEU 75 2HD1 LEU 75 -8.054 -3.827 6.925 576 HD13 LEU 75 3HD1 LEU 75 -6.478 -4.493 6.453 577 HD21 LEU 75 3HD2 LEU 75 -8.687 -3.685 9.355 578 HD22 LEU 75 1HD2 LEU 75 -7.192 -2.745 9.576 579 HD23 LEU 75 2HD2 LEU 75 -7.482 -4.165 10.598 580 H ARG 76 H ARG 76 -6.851 -8.982 9.504 581 HA ARG 76 HA ARG 76 -4.457 -8.617 11.091 582 HB2 ARG 76 1HB ARG 76 -6.367 -10.962 10.735 583 HB3 ARG 76 2HB ARG 76 -4.980 -11.004 11.816 584 HG2 ARG 76 1HG ARG 76 -5.873 -8.982 13.004 585 HG3 ARG 76 2HG ARG 76 -7.341 -9.077 12.027 586 HD2 ARG 76 1HD ARG 76 -6.971 -11.706 12.958 587 HD3 ARG 76 2HD ARG 76 -6.460 -10.712 14.322 588 HE ARG 76 HE ARG 76 -8.963 -9.765 13.282 589 HH11 ARG 76 1HH1 ARG 76 -7.631 -12.497 15.120 590 HH12 ARG 76 2HH1 ARG 76 -9.172 -13.046 15.687 591 HH21 ARG 76 1HH2 ARG 76 -10.975 -10.295 14.316 592 HH22 ARG 76 2HH2 ARG 76 -11.131 -11.783 15.175 593 H PHE 77 H PHE 77 -5.157 -10.542 8.166 594 HA PHE 77 HA PHE 77 -2.708 -12.027 8.292 595 HB2 PHE 77 1HB PHE 77 -4.495 -12.910 6.942 596 HB3 PHE 77 2HB PHE 77 -4.672 -11.415 6.055 597 HD1 PHE 77 2HD PHE 77 -2.426 -14.389 6.484 598 HD2 PHE 77 1HD PHE 77 -3.282 -10.814 4.234 599 HE1 PHE 77 2HE PHE 77 -0.862 -15.133 4.720 600 HE2 PHE 77 1HE PHE 77 -1.594 -11.494 2.535 601 HZ PHE 77 HZ PHE 77 -0.438 -13.701 2.741 602 H LEU 78 H LEU 78 -3.643 -9.043 6.523 603 HA LEU 78 HA LEU 78 -1.068 -8.539 5.393 604 HB2 LEU 78 1HB LEU 78 -3.124 -6.495 6.310 605 HB3 LEU 78 2HB LEU 78 -1.771 -6.198 5.218 606 HG LEU 78 HG LEU 78 -4.126 -8.028 4.613 607 HD11 LEU 78 1HD1 LEU 78 -3.474 -5.254 3.557 608 HD12 LEU 78 2HD1 LEU 78 -4.753 -5.649 4.734 609 HD13 LEU 78 3HD1 LEU 78 -4.849 -6.277 3.082 610 HD21 LEU 78 3HD2 LEU 78 -1.842 -7.131 2.832 611 HD22 LEU 78 1HD2 LEU 78 -3.312 -7.958 2.291 612 HD23 LEU 78 2HD2 LEU 78 -2.178 -8.792 3.368 613 H ASP 79 H ASP 79 -2.462 -7.766 8.555 614 HA ASP 79 HA ASP 79 -0.385 -6.229 9.621 615 HB2 ASP 79 1HB ASP 79 -2.857 -6.933 10.469 616 HB3 ASP 79 2HB ASP 79 -1.918 -8.035 11.464 617 H ASP 80 H ASP 80 -0.201 -9.419 8.761 618 HA ASP 80 HA ASP 80 2.095 -10.022 10.580 619 HB2 ASP 80 1HB ASP 80 0.222 -11.546 10.879 620 HB3 ASP 80 2HB ASP 80 0.095 -11.829 9.141 621 H PHE 81 H PHE 81 0.964 -9.545 7.307 622 HA PHE 81 HA PHE 81 2.937 -11.075 5.932 623 HB2 PHE 81 1HB PHE 81 0.652 -10.236 5.093 624 HB3 PHE 81 2HB PHE 81 1.406 -8.664 4.851 625 HD1 PHE 81 1HD PHE 81 3.137 -8.391 3.036 626 HD2 PHE 81 2HD PHE 81 1.158 -12.129 3.736 627 HE1 PHE 81 1HE PHE 81 3.972 -9.226 0.864 628 HE2 PHE 81 2HE PHE 81 2.103 -13.023 1.613 629 HZ PHE 81 HZ PHE 81 3.462 -11.553 0.142 630 H GLU 82 H GLU 82 2.748 -7.658 6.897 631 HA GLU 82 HA GLU 82 5.327 -7.067 5.528 632 HB2 GLU 82 1HB GLU 82 3.330 -5.234 6.802 633 HB3 GLU 82 2HB GLU 82 4.616 -4.746 5.710 634 HG2 GLU 82 1HG GLU 82 2.120 -6.306 4.986 635 HG3 GLU 82 2HG GLU 82 2.404 -4.611 4.691 636 H ASP 83 H ASP 83 4.855 -8.361 8.390 637 HA ASP 83 HA ASP 83 5.747 -8.239 10.482 638 HB2 ASP 83 1HB ASP 83 7.955 -6.706 9.097 639 HB3 ASP 83 2HB ASP 83 8.068 -7.551 10.629 640 H CYS 84 H CYS 84 3.894 -6.002 9.776 641 HA CYS 84 HA CYS 84 4.761 -3.764 11.432 642 HB2 CYS 84 1HB CYS 84 2.129 -3.354 11.297 643 HB3 CYS 84 2HB CYS 84 3.224 -2.983 9.976 644 HG CYS 84 HG CYS 84 1.746 -3.959 8.452 645 HA PRO 85 HA PRO 85 3.314 -2.339 12.922 646 HB2 PRO 85 1HB PRO 85 3.530 -1.440 15.445 647 HB3 PRO 85 2HB PRO 85 1.996 -2.042 14.744 648 HG2 PRO 85 1HG PRO 85 3.963 -3.521 16.474 649 HG3 PRO 85 2HG PRO 85 2.181 -3.461 16.641 650 HD2 PRO 85 1HD PRO 85 3.500 -5.534 15.389 651 HD3 PRO 85 2HD PRO 85 1.870 -5.002 14.896 652 H SER 86 H SER 86 5.779 -4.550 13.837 653 HA SER 86 HA SER 86 7.821 -3.052 14.897 654 HB2 SER 86 1HB SER 86 8.280 -5.311 12.954 655 HB3 SER 86 2HB SER 86 9.177 -4.895 14.405 656 HG SER 86 HG SER 86 7.417 -6.699 14.382 657 H MET 87 H MET 87 7.450 -3.921 11.420 658 HA MET 87 HA MET 87 9.459 -1.957 10.608 659 HB2 MET 87 1HB MET 87 7.631 -3.828 9.044 660 HB3 MET 87 2HB MET 87 8.846 -2.789 8.329 661 HG2 MET 87 1HG MET 87 10.483 -3.960 9.957 662 HG3 MET 87 2HG MET 87 9.259 -5.223 9.977 663 HE1 MET 87 3HE MET 87 9.256 -5.453 5.755 664 HE2 MET 87 1HE MET 87 8.470 -6.298 7.089 665 HE3 MET 87 2HE MET 87 8.224 -4.562 6.880 666 H TYR 88 H TYR 88 6.033 -2.442 9.699 667 HA TYR 88 HA TYR 88 5.741 0.429 8.964 668 HB2 TYR 88 1HB TYR 88 4.196 -2.086 8.308 669 HB3 TYR 88 2HB TYR 88 3.682 -0.480 7.804 670 HD1 TYR 88 2HD TYR 88 6.073 -3.226 7.229 671 HD2 TYR 88 1HD TYR 88 4.797 0.697 5.997 672 HE1 TYR 88 2HE TYR 88 7.487 -3.412 5.205 673 HE2 TYR 88 1HE TYR 88 6.107 0.465 3.929 674 HH TYR 88 HH TYR 88 7.633 -0.862 2.693 675 H GLN 89 H GLN 89 3.385 1.241 9.448 676 HA GLN 89 HA GLN 89 2.150 -0.004 11.834 677 HB2 GLN 89 1HB GLN 89 2.860 2.961 11.577 678 HB3 GLN 89 2HB GLN 89 1.751 2.287 12.764 679 HG2 GLN 89 1HG GLN 89 3.635 2.413 14.039 680 HG3 GLN 89 2HG GLN 89 3.760 0.758 13.481 681 HE21 GLN 89 1HE2 GLN 89 5.753 0.200 12.643 682 HE22 GLN 89 2HE2 GLN 89 6.952 1.276 11.984 683 H ARG 90 H ARG 90 -0.125 0.291 11.831 684 HA ARG 90 HA ARG 90 -1.290 0.886 9.174 685 HB2 ARG 90 1HB ARG 90 -2.147 -1.049 10.353 686 HB3 ARG 90 2HB ARG 90 -2.511 -0.097 11.792 687 HG2 ARG 90 1HG ARG 90 -3.788 0.554 9.099 688 HG3 ARG 90 2HG ARG 90 -4.418 -0.748 10.071 689 HD2 ARG 90 1HD ARG 90 -4.435 2.162 10.889 690 HD3 ARG 90 2HD ARG 90 -5.789 1.123 10.433 691 HE ARG 90 HE ARG 90 -4.379 -0.113 12.555 692 HH11 ARG 90 1HH1 ARG 90 -6.730 2.453 11.989 693 HH12 ARG 90 2HH1 ARG 90 -7.299 2.503 13.636 694 HH21 ARG 90 1HH2 ARG 90 -5.142 -0.126 14.691 695 HH22 ARG 90 2HH2 ARG 90 -6.248 1.048 15.258 696 H THR 91 H THR 91 -2.090 2.859 8.656 697 HA THR 91 HA THR 91 -2.750 4.806 10.797 698 HB THR 91 HB THR 91 -1.558 5.308 8.049 699 HG1 THR 91 1HG THR 91 -0.135 5.094 10.525 700 HG21 THR 91 3HG2 THR 91 -1.614 6.996 10.555 701 HG22 THR 91 1HG2 THR 91 -2.244 7.363 8.913 702 HG23 THR 91 2HG2 THR 91 -0.513 7.268 9.194 703 H ALA 92 H ALA 92 -4.084 6.674 9.732 704 HA ALA 92 HA ALA 92 -5.914 5.729 7.587 705 HB1 ALA 92 1HB ALA 92 -7.476 7.405 8.585 706 HB2 ALA 92 2HB ALA 92 -7.126 6.055 9.686 707 HB3 ALA 92 3HB ALA 92 -6.352 7.633 9.932 708 H LEU 93 H LEU 93 -6.370 7.203 5.937 709 HA LEU 93 HA LEU 93 -4.902 9.773 5.832 710 HB2 LEU 93 1HB LEU 93 -3.910 9.231 3.758 711 HB3 LEU 93 2HB LEU 93 -3.555 7.973 4.870 712 HG LEU 93 HG LEU 93 -4.113 6.621 3.100 713 HD11 LEU 93 1HD1 LEU 93 -6.333 6.016 2.618 714 HD12 LEU 93 2HD1 LEU 93 -7.028 7.336 3.520 715 HD13 LEU 93 3HD1 LEU 93 -6.127 6.052 4.368 716 HD21 LEU 93 3HD2 LEU 93 -4.090 8.639 1.619 717 HD22 LEU 93 1HD2 LEU 93 -5.848 8.574 1.724 718 HD23 LEU 93 2HD2 LEU 93 -4.981 7.189 1.092 719 H GLN 94 H GLN 94 -5.600 10.446 3.149 720 HA GLN 94 HA GLN 94 -8.548 10.275 3.004 721 HB2 GLN 94 1HB GLN 94 -7.690 12.438 4.032 722 HB3 GLN 94 2HB GLN 94 -6.859 12.774 2.510 723 HG2 GLN 94 1HG GLN 94 -8.801 14.055 2.421 724 HG3 GLN 94 2HG GLN 94 -9.209 12.638 1.448 725 HE21 GLN 94 1HE2 GLN 94 -11.173 11.803 2.016 726 HE22 GLN 94 2HE2 GLN 94 -11.964 11.765 3.576 727 H VAL 95 H VAL 95 -9.063 9.460 1.011 728 HA VAL 95 HA VAL 95 -7.281 9.838 -1.331 729 HB VAL 95 HB VAL 95 -6.644 8.025 -0.355 730 HG11 VAL 95 1HG1 VAL 95 -7.997 5.888 0.056 731 HG12 VAL 95 2HG1 VAL 95 -7.618 7.140 1.213 732 HG13 VAL 95 3HG1 VAL 95 -9.199 7.214 0.333 733 HG21 VAL 95 3HG2 VAL 95 -6.394 6.633 -2.111 734 HG22 VAL 95 1HG2 VAL 95 -8.126 6.233 -2.131 735 HG23 VAL 95 2HG2 VAL 95 -7.578 7.665 -2.945 736 H GLN 96 H GLN 96 -8.043 10.302 -3.152 737 HA GLN 96 HA GLN 96 -10.778 11.138 -3.451 738 HB2 GLN 96 1HB GLN 96 -9.131 12.288 -4.742 739 HB3 GLN 96 2HB GLN 96 -8.719 10.819 -5.647 740 HG2 GLN 96 1HG GLN 96 -11.072 10.843 -6.526 741 HG3 GLN 96 2HG GLN 96 -11.420 12.249 -5.533 742 HE21 GLN 96 1HE2 GLN 96 -12.045 13.473 -7.337 743 HE22 GLN 96 2HE2 GLN 96 -10.909 14.005 -8.573 744 H VAL 97 H VAL 97 -12.485 9.993 -3.971 745 HA VAL 97 HA VAL 97 -12.456 7.158 -4.705 746 HB VAL 97 HB VAL 97 -14.613 9.250 -4.102 747 HG11 VAL 97 1HG1 VAL 97 -15.522 7.417 -5.480 748 HG12 VAL 97 2HG1 VAL 97 -14.845 6.239 -4.337 749 HG13 VAL 97 3HG1 VAL 97 -16.130 7.366 -3.827 750 HG21 VAL 97 3HG2 VAL 97 -13.270 8.728 -2.092 751 HG22 VAL 97 1HG2 VAL 97 -14.883 8.066 -1.951 752 HG23 VAL 97 2HG2 VAL 97 -13.517 6.988 -2.355 753 H LEU 98 H LEU 98 -11.526 7.168 -6.703 754 HA LEU 98 HA LEU 98 -12.442 8.952 -8.817 755 HB2 LEU 98 1HB LEU 98 -10.320 6.884 -8.539 756 HB3 LEU 98 2HB LEU 98 -11.058 7.003 -10.120 757 HG LEU 98 HG LEU 98 -10.685 9.650 -9.754 758 HD11 LEU 98 1HD1 LEU 98 -8.383 8.436 -8.169 759 HD12 LEU 98 2HD1 LEU 98 -9.813 9.259 -7.469 760 HD13 LEU 98 3HD1 LEU 98 -8.703 10.153 -8.519 761 HD21 LEU 98 3HD2 LEU 98 -8.523 9.458 -10.904 762 HD22 LEU 98 1HD2 LEU 98 -9.768 8.429 -11.615 763 HD23 LEU 98 2HD2 LEU 98 -8.526 7.691 -10.586 764 H GLU 99 H GLU 99 -13.456 5.945 -7.467 765 HA GLU 99 HA GLU 99 -15.885 6.064 -8.900 766 HB2 GLU 99 1HB GLU 99 -14.354 4.577 -10.383 767 HB3 GLU 99 2HB GLU 99 -14.387 3.412 -9.091 768 HG2 GLU 99 1HG GLU 99 -16.205 2.552 -9.989 769 HG3 GLU 99 2HG GLU 99 -17.110 4.004 -9.562 770 H TRP 100 H TRP 100 -17.439 4.591 -7.674 771 HA TRP 100 HA TRP 100 -16.399 3.209 -5.288 772 HB2 TRP 100 1HB TRP 100 -16.935 5.456 -4.555 773 HB3 TRP 100 2HB TRP 100 -18.575 5.326 -5.162 774 HD1 TRP 100 HD TRP 100 -20.264 4.004 -3.620 775 HE1 TRP 100 1HE TRP 100 -20.112 2.769 -1.376 776 HE3 TRP 100 3HE TRP 100 -15.191 4.161 -2.916 777 HZ2 TRP 100 2HZ TRP 100 -18.103 1.765 0.307 778 HZ3 TRP 100 3HZ TRP 100 -14.169 2.907 -1.064 779 HH2 TRP 100 HH TRP 100 -15.605 1.643 0.553 780 H GLU 101 H GLU 101 -17.078 1.184 -5.754 781 HA GLU 101 HA GLU 101 -19.675 0.779 -7.124 782 HB2 GLU 101 1HB GLU 101 -17.308 -1.127 -6.756 783 HB3 GLU 101 2HB GLU 101 -18.781 -1.491 -7.648 784 HG2 GLU 101 1HG GLU 101 -16.603 0.506 -8.308 785 HG3 GLU 101 2HG GLU 101 -16.982 -0.965 -9.189 786 H GLY 102 H GLY 102 -20.814 1.263 -5.143 787 HA2 GLY 102 2HA GLY 102 -21.991 -0.788 -3.967 788 HA3 GLY 102 1HA GLY 102 -20.582 -0.594 -2.885 789 H ASP 103 H ASP 103 -22.713 -0.351 -1.594 790 HA ASP 103 HA ASP 103 -23.812 2.341 -1.497 791 HB2 ASP 103 1HB ASP 103 -24.844 0.103 -0.729 792 HB3 ASP 103 2HB ASP 103 -23.798 0.234 0.679 793 H GLY 104 H GLY 104 -23.387 3.584 0.670 794 HA2 GLY 104 2HA GLY 104 -22.021 4.329 2.399 795 HA3 GLY 104 1HA GLY 104 -20.951 2.950 2.124 796 H ASP 105 H ASP 105 -21.953 5.823 0.300 797 HA ASP 105 HA ASP 105 -19.435 6.196 -0.935 798 HB2 ASP 105 1HB ASP 105 -21.314 6.423 -2.336 799 HB3 ASP 105 2HB ASP 105 -22.136 7.493 -1.186 800 HA PRO 106 HA PRO 106 -18.673 8.779 2.770 801 HB2 PRO 106 1HB PRO 106 -15.979 8.762 2.764 802 HB3 PRO 106 2HB PRO 106 -16.891 7.232 2.951 803 HG2 PRO 106 1HG PRO 106 -15.688 8.382 0.407 804 HG3 PRO 106 2HG PRO 106 -15.528 6.716 1.055 805 HD2 PRO 106 1HD PRO 106 -17.386 7.442 -0.833 806 HD3 PRO 106 2HD PRO 106 -17.603 6.095 0.312 807 H GLY 107 H GLY 107 -18.511 9.909 -0.422 808 HA2 GLY 107 2HA GLY 107 -18.611 12.236 -0.948 809 HA3 GLY 107 1HA GLY 107 -17.479 12.578 0.355 810 H ASP 108 H ASP 108 -16.381 13.584 -1.643 811 HA ASP 108 HA ASP 108 -15.539 12.002 -3.825 812 HB2 ASP 108 1HB ASP 108 -15.728 14.517 -3.770 813 HB3 ASP 108 2HB ASP 108 -14.240 14.539 -2.797 814 H SER 109 H SER 109 -14.067 12.015 -0.640 815 HA SER 109 HA SER 109 -11.944 10.407 -1.781 816 HB2 SER 109 1HB SER 109 -10.218 11.548 -0.378 817 HB3 SER 109 2HB SER 109 -10.893 12.578 -1.625 818 HG SER 109 HG SER 109 -11.026 13.838 0.038 819 H VAL 110 H VAL 110 -10.686 9.006 0.241 820 HA VAL 110 HA VAL 110 -12.880 8.713 2.245 821 HB VAL 110 HB VAL 110 -13.325 7.203 0.417 822 HG11 VAL 110 1HG1 VAL 110 -10.697 5.795 1.036 823 HG12 VAL 110 2HG1 VAL 110 -11.983 5.200 -0.012 824 HG13 VAL 110 3HG1 VAL 110 -11.084 6.657 -0.462 825 HG21 VAL 110 3HG2 VAL 110 -13.784 5.315 1.758 826 HG22 VAL 110 1HG2 VAL 110 -12.432 5.637 2.852 827 HG23 VAL 110 2HG2 VAL 110 -13.860 6.696 2.843 828 H GLN 111 H GLN 111 -12.416 7.995 4.218 829 HA GLN 111 HA GLN 111 -9.564 8.079 4.921 830 HB2 GLN 111 1HB GLN 111 -11.175 9.534 6.079 831 HB3 GLN 111 2HB GLN 111 -12.045 8.121 6.674 832 HG2 GLN 111 1HG GLN 111 -9.072 8.352 7.171 833 HG3 GLN 111 2HG GLN 111 -10.166 9.395 8.085 834 HE21 GLN 111 1HE2 GLN 111 -9.179 5.947 7.661 835 HE22 GLN 111 2HE2 GLN 111 -10.093 5.423 9.055 836 H CYS 112 H CYS 112 -9.047 6.204 3.934 837 HA CYS 112 HA CYS 112 -10.307 3.659 4.930 838 HB2 CYS 112 1HB CYS 112 -9.402 2.568 3.094 839 HB3 CYS 112 2HB CYS 112 -9.534 4.209 2.438 840 HG CYS 112 HG CYS 112 -6.866 2.734 3.550 841 H PHE 113 H PHE 113 -8.177 1.928 5.158 842 HA PHE 113 HA PHE 113 -6.103 3.339 6.784 843 HB2 PHE 113 1HB PHE 113 -6.752 0.378 6.989 844 HB3 PHE 113 2HB PHE 113 -5.612 1.274 7.937 845 HD1 PHE 113 1HD PHE 113 -6.765 3.503 9.100 846 HD2 PHE 113 2HD PHE 113 -8.773 -0.102 7.914 847 HE1 PHE 113 1HE PHE 113 -8.594 4.088 10.632 848 HE2 PHE 113 2HE PHE 113 -10.667 0.454 9.490 849 HZ PHE 113 HZ PHE 113 -10.599 2.558 10.800 850 H VAL 114 H VAL 114 -4.050 2.791 6.652 851 HA VAL 114 HA VAL 114 -3.022 1.772 4.105 852 HB VAL 114 HB VAL 114 -1.936 4.198 3.996 853 HG11 VAL 114 1HG1 VAL 114 -3.332 4.770 2.290 854 HG12 VAL 114 2HG1 VAL 114 -3.491 3.036 2.353 855 HG13 VAL 114 3HG1 VAL 114 -4.747 4.057 3.085 856 HG21 VAL 114 3HG2 VAL 114 -2.896 4.898 6.197 857 HG22 VAL 114 1HG2 VAL 114 -2.972 5.981 4.839 858 HG23 VAL 114 2HG2 VAL 114 -4.434 5.081 5.345 859 H TYR 115 H TYR 115 -1.275 0.600 4.742 860 HA TYR 115 HA TYR 115 0.034 1.036 7.301 861 HB2 TYR 115 1HB TYR 115 0.720 -0.582 4.831 862 HB3 TYR 115 2HB TYR 115 1.777 -0.469 6.242 863 HD1 TYR 115 1HD TYR 115 0.764 -0.984 8.561 864 HD2 TYR 115 2HD TYR 115 -0.996 -2.278 4.843 865 HE1 TYR 115 1HE TYR 115 -0.424 -2.782 9.772 866 HE2 TYR 115 2HE TYR 115 -2.217 -4.064 6.050 867 HH TYR 115 HH TYR 115 -1.752 -4.656 9.552 868 H THR 116 H THR 116 1.628 2.420 7.784 869 HA THR 116 HA THR 116 3.150 3.760 5.632 870 HB THR 116 HB THR 116 2.945 5.887 6.683 871 HG1 THR 116 1HG THR 116 1.312 4.867 8.768 872 HG21 THR 116 3HG2 THR 116 0.952 5.201 5.329 873 HG22 THR 116 1HG2 THR 116 0.587 6.418 6.560 874 HG23 THR 116 2HG2 THR 116 0.129 4.727 6.792 875 H THR 117 H THR 117 4.991 5.080 7.264 876 HA THR 117 HA THR 117 5.474 3.443 9.592 877 HB THR 117 HB THR 117 6.778 2.176 7.966 878 HG1 THR 117 1HG THR 117 8.170 1.929 9.454 879 HG21 THR 117 3HG2 THR 117 8.289 4.767 7.418 880 HG22 THR 117 1HG2 THR 117 7.264 3.874 6.267 881 HG23 THR 117 2HG2 THR 117 8.769 3.152 6.872 882 H ALA 118 H ALA 118 6.444 4.574 11.191 883 HA ALA 118 HA ALA 118 7.118 7.418 10.673 884 HB1 ALA 118 1HB ALA 118 6.700 7.724 13.098 885 HB2 ALA 118 2HB ALA 118 5.289 7.169 12.187 886 HB3 ALA 118 3HB ALA 118 6.210 6.027 13.208 887 H THR 119 H THR 119 8.591 4.353 11.216 888 HA THR 119 HA THR 119 10.796 5.454 12.834 889 HB THR 119 HB THR 119 9.644 3.572 13.762 890 HG1 THR 119 1HG THR 119 12.208 2.886 12.800 891 HG21 THR 119 3HG2 THR 119 9.753 1.300 12.767 892 HG22 THR 119 1HG2 THR 119 10.354 2.005 11.255 893 HG23 THR 119 2HG2 THR 119 8.725 2.405 11.859 894 H TYR 120 H TYR 120 10.526 6.120 10.010 895 HA TYR 120 HA TYR 120 12.392 4.688 8.385 896 HB2 TYR 120 1HB TYR 120 12.341 6.894 7.085 897 HB3 TYR 120 2HB TYR 120 10.832 6.025 7.287 898 HD1 TYR 120 2HD TYR 120 12.750 9.004 8.414 899 HD2 TYR 120 1HD TYR 120 8.971 6.952 8.508 900 HE1 TYR 120 2HE TYR 120 11.678 11.005 9.481 901 HE2 TYR 120 1HE TYR 120 7.882 8.967 9.442 902 HH TYR 120 HH TYR 120 8.142 11.144 10.102 903 H ALA 121 H ALA 121 14.551 5.122 7.911 904 HA ALA 121 HA ALA 121 16.276 6.190 9.929 905 HB1 ALA 121 1HB ALA 121 16.836 4.378 8.269 906 HB2 ALA 121 2HB ALA 121 16.813 5.596 6.982 907 HB3 ALA 121 3HB ALA 121 18.024 5.694 8.279 908 HA PRO 122 HA PRO 122 16.199 10.402 8.680 909 HB2 PRO 122 1HB PRO 122 18.720 11.390 9.195 910 HB3 PRO 122 2HB PRO 122 17.498 10.986 10.443 911 HG2 PRO 122 1HG PRO 122 19.819 9.308 9.489 912 HG3 PRO 122 2HG PRO 122 19.287 9.596 11.170 913 HD2 PRO 122 1HD PRO 122 18.571 7.321 9.836 914 HD3 PRO 122 2HD PRO 122 17.467 8.135 10.970 915 H GLU 123 H GLU 123 18.932 8.564 7.259 916 HA GLU 123 HA GLU 123 19.385 10.222 5.028 917 HB2 GLU 123 1HB GLU 123 19.998 8.058 3.864 918 HB3 GLU 123 2HB GLU 123 20.966 8.630 5.194 919 HG2 GLU 123 1HG GLU 123 18.738 6.724 5.904 920 HG3 GLU 123 2HG GLU 123 20.127 6.062 5.008 921 H TRP 124 H TRP 124 16.575 8.189 5.715 922 HA TRP 124 HA TRP 124 15.889 7.932 2.900 923 HB2 TRP 124 1HB TRP 124 14.406 7.212 5.437 924 HB3 TRP 124 2HB TRP 124 13.823 6.882 3.832 925 HD1 TRP 124 HD TRP 124 17.470 6.113 3.751 926 HE1 TRP 124 1HE TRP 124 17.842 3.614 3.919 927 HE3 TRP 124 3HE TRP 124 12.794 4.798 4.892 928 HZ2 TRP 124 2HZ TRP 124 16.302 1.253 4.878 929 HZ3 TRP 124 3HZ TRP 124 12.199 2.398 5.544 930 HH2 TRP 124 HH TRP 124 13.983 0.666 5.556 931 H LEU 125 H LEU 125 15.607 10.562 5.031 932 HA LEU 125 HA LEU 125 13.113 11.604 3.869 933 HB2 LEU 125 1HB LEU 125 15.403 12.901 5.417 934 HB3 LEU 125 2HB LEU 125 14.110 13.829 4.703 935 HG LEU 125 HG LEU 125 13.712 13.553 7.031 936 HD11 LEU 125 1HD1 LEU 125 11.757 13.666 5.519 937 HD12 LEU 125 2HD1 LEU 125 11.413 12.791 7.023 938 HD13 LEU 125 3HD1 LEU 125 11.677 11.878 5.519 939 HD21 LEU 125 3HD2 LEU 125 13.439 10.564 6.656 940 HD22 LEU 125 1HD2 LEU 125 13.357 11.506 8.165 941 HD23 LEU 125 2HD2 LEU 125 14.878 11.379 7.288 942 H PHE 126 H PHE 126 16.557 11.574 3.081 943 HA PHE 126 HA PHE 126 16.323 13.636 1.006 944 HB2 PHE 126 1HB PHE 126 18.637 11.756 1.477 945 HB3 PHE 126 2HB PHE 126 18.661 13.293 0.658 946 HD1 PHE 126 1HD PHE 126 18.458 11.631 3.925 947 HD2 PHE 126 2HD PHE 126 18.928 15.390 1.975 948 HE1 PHE 126 1HE PHE 126 19.431 12.490 5.989 949 HE2 PHE 126 2HE PHE 126 19.784 16.371 4.100 950 HZ PHE 126 HZ PHE 126 20.111 14.934 6.097 951 H LEU 127 H LEU 127 15.987 10.183 1.240 952 HA LEU 127 HA LEU 127 16.687 9.349 -1.371 953 HB2 LEU 127 1HB LEU 127 14.678 8.388 0.694 954 HB3 LEU 127 2HB LEU 127 14.729 7.649 -0.881 955 HG LEU 127 HG LEU 127 17.007 7.624 1.131 956 HD11 LEU 127 1HD1 LEU 127 15.171 5.407 0.073 957 HD12 LEU 127 2HD1 LEU 127 15.028 6.123 1.649 958 HD13 LEU 127 3HD1 LEU 127 16.486 5.196 1.251 959 HD21 LEU 127 3HD2 LEU 127 17.956 7.610 -1.105 960 HD22 LEU 127 1HD2 LEU 127 16.832 6.326 -1.621 961 HD23 LEU 127 2HD2 LEU 127 18.078 6.011 -0.388 962 HA PRO 128 HA PRO 128 13.543 11.202 -3.838 963 HB2 PRO 128 1HB PRO 128 13.220 9.464 -5.922 964 HB3 PRO 128 2HB PRO 128 14.693 10.455 -5.697 965 HG2 PRO 128 1HG PRO 128 14.235 7.578 -4.832 966 HG3 PRO 128 2HG PRO 128 15.608 8.248 -5.764 967 HD2 PRO 128 1HD PRO 128 15.772 7.874 -3.080 968 HD3 PRO 128 2HD PRO 128 16.507 9.321 -3.841 969 H TYR 129 H TYR 129 11.382 11.052 -4.429 970 HA TYR 129 HA TYR 129 9.697 8.959 -3.149 971 HB2 TYR 129 1HB TYR 129 9.018 11.696 -4.166 972 HB3 TYR 129 2HB TYR 129 7.964 10.647 -3.219 973 HD1 TYR 129 2HD TYR 129 10.313 9.876 -1.274 974 HD2 TYR 129 1HD TYR 129 8.893 13.632 -2.757 975 HE1 TYR 129 2HE TYR 129 11.472 11.036 0.610 976 HE2 TYR 129 1HE TYR 129 9.890 14.802 -0.834 977 HH TYR 129 HH TYR 129 12.262 13.226 1.254 978 H HIS 130 H HIS 130 7.847 8.335 -4.448 979 HA HIS 130 HA HIS 130 8.095 8.742 -7.371 980 HB2 HIS 130 1HB HIS 130 7.503 6.004 -6.176 981 HB3 HIS 130 2HB HIS 130 7.595 6.423 -7.849 982 HD1 HIS 130 1HD HIS 130 9.588 5.226 -8.817 983 HD2 HIS 130 2HD HIS 130 10.372 6.699 -4.921 984 HE1 HIS 130 1HE HIS 130 12.024 4.730 -8.300 985 H GLU 131 H GLU 131 5.892 7.793 -8.351 986 HA GLU 131 HA GLU 131 3.628 9.029 -6.794 987 HB2 GLU 131 1HB GLU 131 4.879 10.191 -8.759 988 HB3 GLU 131 2HB GLU 131 4.123 9.006 -9.767 989 HG2 GLU 131 1HG GLU 131 1.894 10.041 -8.390 990 HG3 GLU 131 2HG GLU 131 2.964 11.421 -8.439 991 H SER 132 H SER 132 4.662 6.246 -8.527 992 HA SER 132 HA SER 132 2.306 4.933 -7.596 993 HB2 SER 132 1HB SER 132 1.715 3.869 -9.859 994 HB3 SER 132 2HB SER 132 1.130 5.486 -9.515 995 HG SER 132 HG SER 132 2.687 6.355 -10.838 996 H TYR 133 H TYR 133 2.441 2.466 -8.237 997 HA TYR 133 HA TYR 133 5.307 1.691 -8.084 998 HB2 TYR 133 1HB TYR 133 3.871 1.475 -5.976 999 HB3 TYR 133 2HB TYR 133 3.021 0.204 -6.809 1000 HD1 TYR 133 2HD TYR 133 6.702 1.128 -6.623 1001 HD2 TYR 133 1HD TYR 133 3.679 -1.878 -5.829 1002 HE1 TYR 133 2HE TYR 133 8.420 -0.397 -5.914 1003 HE2 TYR 133 1HE TYR 133 5.456 -3.400 -4.996 1004 HH TYR 133 HH TYR 133 8.895 -2.661 -5.283 1005 H ASP 134 H ASP 134 6.023 0.125 -9.357 1006 HA ASP 134 HA ASP 134 4.290 -1.872 -10.589 1007 HB2 ASP 134 1HB ASP 134 4.019 0.283 -11.947 1008 HB3 ASP 134 2HB ASP 134 5.706 0.090 -12.443 1009 H SER 135 H SER 135 5.558 -3.740 -10.804 1010 HA SER 135 HA SER 135 8.411 -3.691 -10.313 1011 HB2 SER 135 1HB SER 135 6.546 -5.928 -11.160 1012 HB3 SER 135 2HB SER 135 8.196 -6.125 -10.572 1013 HG SER 135 HG SER 135 7.510 -6.073 -8.667 1014 H GLU 136 H GLU 136 6.710 -3.035 -13.143 1015 HA GLU 136 HA GLU 136 9.084 -3.750 -14.788 1016 HB2 GLU 136 1HB GLU 136 6.172 -3.848 -15.633 1017 HB3 GLU 136 2HB GLU 136 7.560 -4.018 -16.684 1018 HG2 GLU 136 1HG GLU 136 8.275 -5.973 -15.106 1019 HG3 GLU 136 2HG GLU 136 6.606 -5.909 -14.523 1020 H GLY 137 H GLY 137 8.269 -1.331 -13.120 1021 HA2 GLY 137 2HA GLY 137 7.694 0.727 -15.112 1022 HA3 GLY 137 1HA GLY 137 8.043 0.968 -13.392 1023 HA PRO 138 HA PRO 138 11.681 1.898 -16.391 1024 HB2 PRO 138 1HB PRO 138 11.833 4.623 -16.067 1025 HB3 PRO 138 2HB PRO 138 10.890 3.791 -17.337 1026 HG2 PRO 138 1HG PRO 138 9.893 4.838 -14.670 1027 HG3 PRO 138 2HG PRO 138 9.157 5.049 -16.294 1028 HD2 PRO 138 1HD PRO 138 8.269 3.156 -14.577 1029 HD3 PRO 138 2HD PRO 138 8.396 2.801 -16.326 1030 H HIS 139 H HIS 139 10.832 2.594 -13.138 1031 HA HIS 139 HA HIS 139 13.022 3.742 -12.030 1032 HB2 HIS 139 1HB HIS 139 11.460 1.675 -10.519 1033 HB3 HIS 139 2HB HIS 139 12.090 3.217 -9.961 1034 HD1 HIS 139 1HD HIS 139 10.648 5.453 -11.388 1035 HD2 HIS 139 2HD HIS 139 9.026 1.553 -11.192 1036 HE1 HIS 139 1HE HIS 139 8.170 5.671 -11.881 1037 H GLY 140 H GLY 140 13.010 0.470 -13.159 1038 HA2 GLY 140 2HA GLY 140 14.856 -0.970 -13.309 1039 HA3 GLY 140 1HA GLY 140 15.800 0.203 -12.389 1040 H LEU 141 H LEU 141 14.670 0.314 -9.969 1041 HA LEU 141 HA LEU 141 15.357 -2.191 -8.742 1042 HB2 LEU 141 1HB LEU 141 14.370 -0.832 -6.655 1043 HB3 LEU 141 2HB LEU 141 15.986 -0.627 -7.317 1044 HG LEU 141 HG LEU 141 15.261 1.427 -8.489 1045 HD11 LEU 141 1HD1 LEU 141 12.634 0.980 -7.013 1046 HD12 LEU 141 2HD1 LEU 141 12.860 1.047 -8.759 1047 HD13 LEU 141 3HD1 LEU 141 13.121 2.507 -7.796 1048 HD21 LEU 141 3HD2 LEU 141 14.755 1.325 -5.496 1049 HD22 LEU 141 1HD2 LEU 141 15.068 2.798 -6.441 1050 HD23 LEU 141 2HD2 LEU 141 16.317 1.551 -6.307 1051 H ARG 142 H ARG 142 14.046 -3.966 -8.693 1052 HA ARG 142 HA ARG 142 11.104 -3.521 -8.440 1053 HB2 ARG 142 1HB ARG 142 12.224 -6.019 -9.663 1054 HB3 ARG 142 2HB ARG 142 10.654 -5.269 -9.905 1055 HG2 ARG 142 1HG ARG 142 13.328 -4.424 -11.088 1056 HG3 ARG 142 2HG ARG 142 12.017 -5.215 -11.916 1057 HD2 ARG 142 1HD ARG 142 10.587 -3.169 -11.660 1058 HD3 ARG 142 2HD ARG 142 11.871 -2.397 -10.773 1059 HE ARG 142 HE ARG 142 12.822 -1.762 -12.664 1060 HH11 ARG 142 1HH1 ARG 142 10.962 -4.652 -13.592 1061 HH12 ARG 142 2HH1 ARG 142 11.444 -4.591 -15.249 1062 HH21 ARG 142 1HH2 ARG 142 13.398 -1.648 -14.956 1063 HH22 ARG 142 2HH2 ARG 142 12.881 -2.905 -15.976 1064 H TYR 143 H TYR 143 9.919 -5.069 -7.078 1065 HA TYR 143 HA TYR 143 11.286 -5.657 -4.663 1066 HB2 TYR 143 1HB TYR 143 8.783 -5.307 -4.871 1067 HB3 TYR 143 2HB TYR 143 8.682 -6.851 -5.646 1068 HD1 TYR 143 2HD TYR 143 10.643 -5.798 -2.522 1069 HD2 TYR 143 1HD TYR 143 7.493 -8.177 -4.207 1070 HE1 TYR 143 2HE TYR 143 10.352 -6.932 -0.372 1071 HE2 TYR 143 1HE TYR 143 7.025 -9.156 -1.964 1072 HH TYR 143 HH TYR 143 7.330 -8.277 0.460 1073 H ASN 144 H ASN 144 12.306 -7.445 -3.906 1074 HA ASN 144 HA ASN 144 12.274 -9.948 -5.555 1075 HB2 ASN 144 1HB ASN 144 14.581 -8.191 -4.737 1076 HB3 ASN 144 2HB ASN 144 14.829 -9.927 -4.795 1077 HD21 ASN 144 1HD2 ASN 144 14.308 -7.061 -6.777 1078 HD22 ASN 144 2HD2 ASN 144 14.508 -7.866 -8.298 1079 HA PRO 145 HA PRO 145 11.438 -11.077 -1.195 1080 HB2 PRO 145 1HB PRO 145 9.209 -12.582 -1.595 1081 HB3 PRO 145 2HB PRO 145 9.173 -10.808 -1.512 1082 HG2 PRO 145 1HG PRO 145 9.256 -12.533 -4.019 1083 HG3 PRO 145 2HG PRO 145 8.151 -11.171 -3.644 1084 HD2 PRO 145 1HD PRO 145 10.409 -10.919 -5.149 1085 HD3 PRO 145 2HD PRO 145 9.852 -9.610 -4.078 1086 H ARG 146 H ARG 146 11.247 -13.119 -4.158 1087 HA ARG 146 HA ARG 146 12.921 -15.231 -2.932 1088 HB2 ARG 146 1HB ARG 146 10.356 -15.576 -2.650 1089 HB3 ARG 146 2HB ARG 146 10.279 -15.745 -4.376 1090 HG2 ARG 146 1HG ARG 146 11.696 -17.784 -4.285 1091 HG3 ARG 146 2HG ARG 146 11.947 -17.501 -2.534 1092 HD2 ARG 146 1HD ARG 146 9.513 -17.697 -2.122 1093 HD3 ARG 146 2HD ARG 146 9.245 -18.005 -3.843 1094 HE ARG 146 HE ARG 146 11.068 -19.910 -3.217 1095 HH11 ARG 146 1HH1 ARG 146 7.708 -19.263 -2.155 1096 HH12 ARG 146 2HH1 ARG 146 7.440 -20.915 -1.738 1097 HH21 ARG 146 1HH2 ARG 146 10.841 -21.864 -2.117 1098 HH22 ARG 146 2HH2 ARG 146 9.255 -22.416 -1.681 1099 H GLU 147 H GLU 147 12.533 -13.266 -5.366 1100 HA GLU 147 HA GLU 147 13.010 -12.842 -7.250 1101 HB2 GLU 147 1HB GLU 147 15.508 -14.470 -6.866 1102 HB3 GLU 147 2HB GLU 147 15.275 -12.952 -7.716 1103 HG2 GLU 147 1HG GLU 147 14.522 -12.005 -5.419 1104 HG3 GLU 147 2HG GLU 147 15.199 -13.458 -4.724 1105 H ASN 148 H ASN 148 13.663 -16.258 -7.017 1106 HA ASN 148 HA ASN 148 12.223 -16.890 -9.458 1107 HB2 ASN 148 1HB ASN 148 14.130 -17.386 -10.793 1108 HB3 ASN 148 2HB ASN 148 14.464 -15.837 -9.949 1109 HD21 ASN 148 1HD2 ASN 148 16.477 -15.706 -9.084 1110 HD22 ASN 148 2HD2 ASN 148 17.447 -17.090 -8.573 1111 H ARG 149 H ARG 149 12.929 -17.571 -6.437 1112 HA ARG 149 HA ARG 149 13.686 -20.442 -6.686 1113 HB2 ARG 149 1HB ARG 149 15.471 -19.164 -5.894 1114 HB3 ARG 149 2HB ARG 149 14.491 -18.227 -4.812 1115 HG2 ARG 149 1HG ARG 149 14.835 -21.113 -4.194 1116 HG3 ARG 149 2HG ARG 149 16.177 -20.018 -3.944 1117 HD2 ARG 149 1HD ARG 149 13.584 -18.968 -2.924 1118 HD3 ARG 149 2HD ARG 149 14.213 -20.409 -2.076 1119 HE ARG 149 HE ARG 149 16.378 -18.674 -2.240 1120 HH11 ARG 149 1HH1 ARG 149 13.133 -18.513 -0.841 1121 HH12 ARG 149 2HH1 ARG 149 13.585 -17.349 0.378 1122 HH21 ARG 149 1HH2 ARG 149 16.945 -17.206 -0.701 1123 HH22 ARG 149 2HH2 ARG 149 15.828 -16.548 0.482 Start of MODEL 19 1 H1 MET 1 H MET 1 -15.512 -4.614 6.559 2 HA MET 1 HA MET 1 -17.285 -3.077 7.121 3 HB2 MET 1 1HB MET 1 -18.099 -2.882 9.390 4 HB3 MET 1 2HB MET 1 -18.274 -4.534 8.824 5 HG2 MET 1 1HG MET 1 -16.259 -5.201 10.118 6 HG3 MET 1 2HG MET 1 -16.097 -3.532 10.688 7 HE1 MET 1 3HE MET 1 -17.186 -4.934 14.012 8 HE2 MET 1 1HE MET 1 -16.079 -5.723 12.864 9 HE3 MET 1 2HE MET 1 -16.035 -3.959 13.081 10 H ALA 2 H ALA 2 -14.475 -2.866 6.521 11 HA ALA 2 HA ALA 2 -13.784 -0.377 7.761 12 HB1 ALA 2 1HB ALA 2 -11.541 -1.232 8.563 13 HB2 ALA 2 2HB ALA 2 -12.900 -1.789 9.553 14 HB3 ALA 2 3HB ALA 2 -12.142 -2.896 8.387 15 H HIS 3 H HIS 3 -13.380 0.588 5.740 16 HA HIS 3 HA HIS 3 -12.483 -1.066 3.493 17 HB2 HIS 3 1HB HIS 3 -13.128 1.919 3.798 18 HB3 HIS 3 2HB HIS 3 -12.593 1.181 2.298 19 HD1 HIS 3 1HD HIS 3 -15.793 1.857 4.111 20 HD2 HIS 3 2HD HIS 3 -14.204 -0.986 1.410 21 HE1 HIS 3 1HE HIS 3 -17.761 0.554 3.165 22 H ILE 4 H ILE 4 -10.481 -0.652 2.372 23 HA ILE 4 HA ILE 4 -8.477 0.965 3.838 24 HB ILE 4 HB ILE 4 -6.759 -0.683 3.547 25 HG12 ILE 4 1HG1 ILE 4 -8.836 -2.713 2.625 26 HG13 ILE 4 2HG1 ILE 4 -7.820 -1.818 1.506 27 HG21 ILE 4 1HG2 ILE 4 -7.383 -2.156 5.333 28 HG22 ILE 4 2HG2 ILE 4 -8.173 -0.607 5.614 29 HG23 ILE 4 3HG2 ILE 4 -9.115 -1.961 4.960 30 HD11 ILE 4 3HD1 ILE 4 -6.785 -3.946 1.904 31 HD12 ILE 4 1HD1 ILE 4 -5.778 -2.688 2.634 32 HD13 ILE 4 2HD1 ILE 4 -6.811 -3.711 3.663 33 H PHE 5 H PHE 5 -6.416 0.906 2.303 34 HA PHE 5 HA PHE 5 -7.232 1.161 -0.544 35 HB2 PHE 5 1HB PHE 5 -7.123 3.399 0.482 36 HB3 PHE 5 2HB PHE 5 -5.557 3.029 1.159 37 HD1 PHE 5 2HD PHE 5 -7.232 3.038 -2.176 38 HD2 PHE 5 1HD PHE 5 -3.701 3.886 0.096 39 HE1 PHE 5 2HE PHE 5 -6.150 3.943 -4.223 40 HE2 PHE 5 1HE PHE 5 -2.587 4.794 -1.959 41 HZ PHE 5 HZ PHE 5 -3.824 4.870 -4.095 42 H VAL 6 H VAL 6 -5.162 0.986 -1.929 43 HA VAL 6 HA VAL 6 -3.141 -0.699 -0.578 44 HB VAL 6 HB VAL 6 -4.787 -2.044 -1.912 45 HG11 VAL 6 1HG1 VAL 6 -5.139 -0.741 -3.897 46 HG12 VAL 6 2HG1 VAL 6 -3.405 -0.762 -4.322 47 HG13 VAL 6 3HG1 VAL 6 -4.337 -2.240 -4.364 48 HG21 VAL 6 3HG2 VAL 6 -2.601 -2.858 -1.240 49 HG22 VAL 6 1HG2 VAL 6 -3.090 -3.485 -2.816 50 HG23 VAL 6 2HG2 VAL 6 -1.863 -2.200 -2.728 51 H TYR 7 H TYR 7 -1.121 0.002 -0.850 52 HA TYR 7 HA TYR 7 -0.445 2.332 -2.361 53 HB2 TYR 7 1HB TYR 7 1.945 1.499 -1.807 54 HB3 TYR 7 2HB TYR 7 0.927 2.044 -0.522 55 HD1 TYR 7 2HD TYR 7 -0.403 0.155 0.882 56 HD2 TYR 7 1HD TYR 7 3.020 -0.599 -1.640 57 HE1 TYR 7 2HE TYR 7 -0.171 -2.108 1.855 58 HE2 TYR 7 1HE TYR 7 3.375 -2.747 -0.503 59 HH TYR 7 HH TYR 7 1.331 -4.142 1.963 60 H GLY 8 H GLY 8 -0.106 -1.176 -2.967 61 HA2 GLY 8 2HA GLY 8 -0.649 -1.219 -5.578 62 HA3 GLY 8 1HA GLY 8 0.971 -0.550 -5.657 63 H THR 9 H THR 9 0.251 -3.184 -3.241 64 HA THR 9 HA THR 9 2.116 -4.938 -4.709 65 HB THR 9 HB THR 9 1.677 -6.053 -2.314 66 HG1 THR 9 1HG THR 9 1.402 -4.300 -0.789 67 HG21 THR 9 3HG2 THR 9 3.781 -5.181 -3.314 68 HG22 THR 9 1HG2 THR 9 3.658 -4.930 -1.577 69 HG23 THR 9 2HG2 THR 9 3.387 -3.571 -2.705 70 H LEU 10 H LEU 10 -1.253 -4.539 -3.658 71 HA LEU 10 HA LEU 10 -1.927 -7.206 -4.750 72 HB2 LEU 10 1HB LEU 10 -3.602 -5.561 -2.842 73 HB3 LEU 10 2HB LEU 10 -3.773 -7.221 -3.325 74 HG LEU 10 HG LEU 10 -3.163 -7.028 -1.062 75 HD11 LEU 10 1HD1 LEU 10 -2.356 -9.034 -2.175 76 HD12 LEU 10 2HD1 LEU 10 -1.203 -8.523 -0.942 77 HD13 LEU 10 3HD1 LEU 10 -0.864 -8.184 -2.649 78 HD21 LEU 10 3HD2 LEU 10 -1.660 -4.924 -1.331 79 HD22 LEU 10 1HD2 LEU 10 -0.382 -6.168 -1.396 80 HD23 LEU 10 2HD2 LEU 10 -1.463 -6.079 -0.016 81 H LYS 11 H LYS 11 -1.492 -5.163 -6.687 82 HA LYS 11 HA LYS 11 -4.300 -4.594 -7.515 83 HB2 LYS 11 1HB LYS 11 -3.599 -2.565 -6.418 84 HB3 LYS 11 2HB LYS 11 -2.086 -2.522 -7.304 85 HG2 LYS 11 1HG LYS 11 -3.474 -2.257 -9.442 86 HG3 LYS 11 2HG LYS 11 -4.898 -2.133 -8.400 87 HD2 LYS 11 1HD LYS 11 -3.989 -0.116 -7.362 88 HD3 LYS 11 2HD LYS 11 -2.438 -0.344 -8.168 89 HE2 LYS 11 1HE LYS 11 -3.443 1.343 -9.454 90 HE3 LYS 11 2HE LYS 11 -3.666 -0.135 -10.394 91 HZ1 LYS 11 3HZ LYS 11 -5.720 1.275 -8.831 92 HZ2 LYS 11 1HZ LYS 11 -5.938 -0.252 -9.441 93 HZ3 LYS 11 2HZ LYS 11 -5.692 0.970 -10.445 94 H ARG 12 H ARG 12 -1.262 -3.475 -8.993 95 HA ARG 12 HA ARG 12 -2.333 -4.114 -11.502 96 HB2 ARG 12 1HB ARG 12 0.109 -2.824 -10.558 97 HB3 ARG 12 2HB ARG 12 0.434 -3.843 -11.929 98 HG2 ARG 12 1HG ARG 12 -0.015 -1.798 -12.890 99 HG3 ARG 12 2HG ARG 12 -1.541 -2.624 -13.101 100 HD2 ARG 12 1HD ARG 12 -2.648 -1.105 -11.877 101 HD3 ARG 12 2HD ARG 12 -1.489 -1.182 -10.544 102 HE ARG 12 HE ARG 12 -1.367 0.585 -12.934 103 HH11 ARG 12 1HH1 ARG 12 0.199 -0.302 -9.807 104 HH12 ARG 12 2HH1 ARG 12 1.472 0.821 -10.080 105 HH21 ARG 12 1HH2 ARG 12 0.398 1.965 -13.122 106 HH22 ARG 12 2HH2 ARG 12 1.562 2.024 -11.882 107 H GLY 13 H GLY 13 0.607 -5.794 -10.196 108 HA2 GLY 13 2HA GLY 13 -0.256 -8.419 -10.779 109 HA3 GLY 13 1HA GLY 13 0.550 -7.757 -12.212 110 H GLN 14 H GLN 14 1.224 -7.163 -8.757 111 HA GLN 14 HA GLN 14 4.081 -7.792 -9.260 112 HB2 GLN 14 1HB GLN 14 4.495 -6.222 -7.309 113 HB3 GLN 14 2HB GLN 14 3.882 -5.469 -8.756 114 HG2 GLN 14 1HG GLN 14 2.202 -6.338 -6.423 115 HG3 GLN 14 2HG GLN 14 3.006 -4.782 -6.536 116 HE21 GLN 14 1HE2 GLN 14 2.573 -4.108 -9.238 117 HE22 GLN 14 2HE2 GLN 14 0.871 -3.761 -9.417 118 HA PRO 15 HA PRO 15 3.836 -11.219 -7.012 119 HB2 PRO 15 1HB PRO 15 6.288 -11.603 -5.874 120 HB3 PRO 15 2HB PRO 15 6.107 -11.242 -7.622 121 HG2 PRO 15 1HG PRO 15 6.802 -9.373 -5.372 122 HG3 PRO 15 2HG PRO 15 7.598 -9.520 -6.964 123 HD2 PRO 15 1HD PRO 15 5.628 -7.653 -6.315 124 HD3 PRO 15 2HD PRO 15 5.929 -8.228 -7.984 125 H ASN 16 H ASN 16 2.280 -9.756 -5.517 126 HA ASN 16 HA ASN 16 2.549 -10.909 -2.792 127 HB2 ASN 16 1HB ASN 16 1.565 -8.076 -3.172 128 HB3 ASN 16 2HB ASN 16 2.021 -8.859 -1.713 129 HD21 ASN 16 1HD2 ASN 16 3.277 -7.471 -4.738 130 HD22 ASN 16 2HD2 ASN 16 4.899 -7.142 -4.135 131 H HIS 17 H HIS 17 0.579 -9.590 -5.477 132 HA HIS 17 HA HIS 17 -1.885 -9.328 -4.408 133 HB2 HIS 17 1HB HIS 17 -0.993 -8.941 -6.795 134 HB3 HIS 17 2HB HIS 17 -1.452 -10.604 -7.123 135 HD1 HIS 17 1HD HIS 17 -2.792 -7.473 -8.025 136 HD2 HIS 17 2HD HIS 17 -4.372 -10.817 -6.018 137 HE1 HIS 17 1HE HIS 17 -5.290 -7.293 -8.190 138 H LYS 18 H LYS 18 -0.370 -12.400 -5.217 139 HA LYS 18 HA LYS 18 -2.410 -14.231 -4.976 140 HB2 LYS 18 1HB LYS 18 -0.711 -15.841 -4.371 141 HB3 LYS 18 2HB LYS 18 -0.143 -14.755 -5.626 142 HG2 LYS 18 1HG LYS 18 1.727 -14.781 -4.336 143 HG3 LYS 18 2HG LYS 18 0.933 -13.406 -3.585 144 HD2 LYS 18 1HD LYS 18 0.002 -15.001 -1.846 145 HD3 LYS 18 2HD LYS 18 0.910 -16.289 -2.611 146 HE2 LYS 18 1HE LYS 18 3.015 -14.869 -2.317 147 HE3 LYS 18 2HE LYS 18 2.068 -13.803 -1.265 148 HZ1 LYS 18 3HZ LYS 18 3.331 -15.475 -0.092 149 HZ2 LYS 18 1HZ LYS 18 2.523 -16.692 -0.862 150 HZ3 LYS 18 2HZ LYS 18 1.736 -15.715 0.215 151 H VAL 19 H VAL 19 -1.077 -12.447 -2.159 152 HA VAL 19 HA VAL 19 -2.147 -14.301 -0.282 153 HB VAL 19 HB VAL 19 -1.905 -12.515 1.361 154 HG11 VAL 19 1HG1 VAL 19 0.458 -12.209 1.234 155 HG12 VAL 19 2HG1 VAL 19 0.089 -13.803 0.570 156 HG13 VAL 19 3HG1 VAL 19 0.470 -12.443 -0.524 157 HG21 VAL 19 3HG2 VAL 19 -0.999 -10.291 0.687 158 HG22 VAL 19 1HG2 VAL 19 -1.555 -10.694 -0.958 159 HG23 VAL 19 2HG2 VAL 19 -2.713 -10.566 0.365 160 H MET 20 H MET 20 -3.691 -11.653 -2.096 161 HA MET 20 HA MET 20 -6.168 -12.024 -0.516 162 HB2 MET 20 1HB MET 20 -6.992 -10.070 -1.531 163 HB3 MET 20 2HB MET 20 -5.432 -9.726 -0.801 164 HG2 MET 20 1HG MET 20 -4.384 -9.483 -2.841 165 HG3 MET 20 2HG MET 20 -5.506 -10.478 -3.716 166 HE1 MET 20 3HE MET 20 -6.885 -6.253 -2.363 167 HE2 MET 20 1HE MET 20 -6.873 -7.660 -1.290 168 HE3 MET 20 2HE MET 20 -5.353 -6.937 -1.800 169 H LEU 21 H LEU 21 -4.835 -13.771 -2.839 170 HA LEU 21 HA LEU 21 -7.375 -14.175 -4.338 171 HB2 LEU 21 1HB LEU 21 -4.537 -15.112 -4.968 172 HB3 LEU 21 2HB LEU 21 -5.966 -15.550 -5.897 173 HG LEU 21 HG LEU 21 -5.089 -12.677 -5.502 174 HD11 LEU 21 1HD1 LEU 21 -4.473 -14.527 -7.831 175 HD12 LEU 21 2HD1 LEU 21 -3.303 -13.795 -6.701 176 HD13 LEU 21 3HD1 LEU 21 -4.198 -12.774 -7.816 177 HD21 LEU 21 3HD2 LEU 21 -7.462 -12.954 -6.145 178 HD22 LEU 21 1HD2 LEU 21 -6.961 -13.931 -7.544 179 HD23 LEU 21 2HD2 LEU 21 -6.517 -12.209 -7.432 180 H ASP 22 H ASP 22 -6.558 -14.859 -1.455 181 HA ASP 22 HA ASP 22 -7.525 -17.625 -1.597 182 HB2 ASP 22 1HB ASP 22 -5.006 -17.660 -1.279 183 HB3 ASP 22 2HB ASP 22 -5.246 -16.785 0.217 184 H HIS 23 H HIS 23 -9.516 -16.935 -0.966 185 HA HIS 23 HA HIS 23 -10.175 -14.944 0.861 186 HB2 HIS 23 1HB HIS 23 -11.686 -15.987 -0.733 187 HB3 HIS 23 2HB HIS 23 -11.642 -17.514 0.179 188 HD1 HIS 23 1HD HIS 23 -13.564 -17.664 1.963 189 HD2 HIS 23 2HD HIS 23 -12.428 -13.793 0.843 190 HE1 HIS 23 1HE HIS 23 -15.292 -16.115 3.013 191 H SER 24 H SER 24 -8.780 -17.962 1.579 192 HA SER 24 HA SER 24 -9.689 -18.285 4.339 193 HB2 SER 24 1HB SER 24 -8.562 -19.993 2.583 194 HB3 SER 24 2HB SER 24 -7.085 -19.485 3.414 195 HG SER 24 HG SER 24 -7.863 -20.308 5.290 196 H HIS 25 H HIS 25 -7.210 -16.330 2.729 197 HA HIS 25 HA HIS 25 -5.951 -15.578 5.299 198 HB2 HIS 25 1HB HIS 25 -5.734 -14.349 2.530 199 HB3 HIS 25 2HB HIS 25 -4.768 -13.943 3.932 200 HD1 HIS 25 1HD HIS 25 -3.854 -15.169 1.048 201 HD2 HIS 25 2HD HIS 25 -3.947 -17.017 4.818 202 HE1 HIS 25 1HE HIS 25 -2.092 -17.055 0.984 203 H GLY 26 H GLY 26 -8.886 -14.900 3.644 204 HA2 GLY 26 2HA GLY 26 -10.421 -13.569 5.041 205 HA3 GLY 26 1HA GLY 26 -9.200 -12.298 5.037 206 H LEU 27 H LEU 27 -11.530 -11.526 4.231 207 HA LEU 27 HA LEU 27 -12.120 -11.915 1.426 208 HB2 LEU 27 1HB LEU 27 -13.733 -11.550 3.360 209 HB3 LEU 27 2HB LEU 27 -13.126 -9.899 3.432 210 HG LEU 27 HG LEU 27 -15.368 -10.295 2.384 211 HD11 LEU 27 1HD1 LEU 27 -14.023 -8.192 2.089 212 HD12 LEU 27 2HD1 LEU 27 -15.155 -8.551 0.778 213 HD13 LEU 27 3HD1 LEU 27 -13.447 -8.868 0.545 214 HD21 LEU 27 3HD2 LEU 27 -14.725 -12.269 1.027 215 HD22 LEU 27 1HD2 LEU 27 -13.760 -11.219 -0.013 216 HD23 LEU 27 2HD2 LEU 27 -15.524 -10.967 0.106 217 H ALA 28 H ALA 28 -11.557 -10.678 -0.256 218 HA ALA 28 HA ALA 28 -10.966 -7.834 0.164 219 HB1 ALA 28 1HB ALA 28 -9.104 -7.842 -1.452 220 HB2 ALA 28 2HB ALA 28 -8.695 -8.752 0.031 221 HB3 ALA 28 3HB ALA 28 -9.125 -9.622 -1.464 222 H ALA 29 H ALA 29 -12.665 -6.990 -0.991 223 HA ALA 29 HA ALA 29 -13.225 -8.125 -3.703 224 HB1 ALA 29 1HB ALA 29 -15.575 -7.455 -3.360 225 HB2 ALA 29 2HB ALA 29 -15.050 -8.713 -2.219 226 HB3 ALA 29 3HB ALA 29 -15.197 -7.024 -1.676 227 H PHE 30 H PHE 30 -13.508 -6.678 -5.312 228 HA PHE 30 HA PHE 30 -12.127 -4.178 -5.128 229 HB2 PHE 30 1HB PHE 30 -12.118 -5.519 -7.151 230 HB3 PHE 30 2HB PHE 30 -13.869 -5.406 -7.292 231 HD1 PHE 30 2HD PHE 30 -10.751 -3.279 -7.221 232 HD2 PHE 30 1HD PHE 30 -14.827 -3.672 -8.586 233 HE1 PHE 30 2HE PHE 30 -10.484 -1.245 -8.604 234 HE2 PHE 30 1HE PHE 30 -14.545 -1.641 -9.988 235 HZ PHE 30 HZ PHE 30 -12.394 -0.446 -10.013 236 H ARG 31 H ARG 31 -12.883 -2.432 -4.138 237 HA ARG 31 HA ARG 31 -15.757 -1.727 -4.352 238 HB2 ARG 31 1HB ARG 31 -15.118 -2.590 -2.098 239 HB3 ARG 31 2HB ARG 31 -13.872 -1.360 -1.989 240 HG2 ARG 31 1HG ARG 31 -15.761 -0.667 -0.658 241 HG3 ARG 31 2HG ARG 31 -15.646 0.400 -2.032 242 HD2 ARG 31 1HD ARG 31 -17.927 -0.044 -1.867 243 HD3 ARG 31 2HD ARG 31 -17.373 -1.082 -3.176 244 HE ARG 31 HE ARG 31 -17.254 -2.520 -0.726 245 HH11 ARG 31 1HH1 ARG 31 -19.562 -1.311 -3.112 246 HH12 ARG 31 2HH1 ARG 31 -20.656 -2.654 -2.909 247 HH21 ARG 31 1HH2 ARG 31 -18.841 -4.134 -0.271 248 HH22 ARG 31 2HH2 ARG 31 -20.384 -4.071 -1.057 249 H GLY 32 H GLY 32 -14.160 -1.063 -6.378 250 HA2 GLY 32 2HA GLY 32 -13.972 0.871 -7.625 251 HA3 GLY 32 1HA GLY 32 -14.224 1.816 -6.152 252 H ARG 33 H ARG 33 -12.536 3.162 -7.002 253 HA ARG 33 HA ARG 33 -9.751 2.004 -6.983 254 HB2 ARG 33 1HB ARG 33 -10.922 3.934 -8.991 255 HB3 ARG 33 2HB ARG 33 -9.236 3.428 -8.956 256 HG2 ARG 33 1HG ARG 33 -9.719 1.208 -9.637 257 HG3 ARG 33 2HG ARG 33 -11.405 1.333 -9.145 258 HD2 ARG 33 1HD ARG 33 -11.608 1.469 -11.412 259 HD3 ARG 33 2HD ARG 33 -11.720 3.128 -10.873 260 HE ARG 33 HE ARG 33 -9.732 3.674 -11.860 261 HH11 ARG 33 1HH1 ARG 33 -10.790 0.369 -12.635 262 HH12 ARG 33 2HH1 ARG 33 -9.765 0.237 -14.015 263 HH21 ARG 33 1HH2 ARG 33 -8.197 3.376 -13.649 264 HH22 ARG 33 2HH2 ARG 33 -8.470 1.990 -14.647 265 H GLY 34 H GLY 34 -7.973 3.819 -6.758 266 HA2 GLY 34 2HA GLY 34 -8.913 6.400 -6.035 267 HA3 GLY 34 1HA GLY 34 -8.558 5.469 -4.574 268 H CYS 35 H CYS 35 -7.346 7.671 -4.776 269 HA CYS 35 HA CYS 35 -4.525 6.921 -5.131 270 HB2 CYS 35 1HB CYS 35 -4.001 9.023 -6.184 271 HB3 CYS 35 2HB CYS 35 -5.226 8.219 -7.181 272 HG CYS 35 HG CYS 35 -5.543 10.789 -7.248 273 H THR 36 H THR 36 -3.081 8.261 -3.686 274 HA THR 36 HA THR 36 -4.542 9.448 -1.415 275 HB THR 36 HB THR 36 -2.355 9.862 -0.506 276 HG1 THR 36 1HG THR 36 -1.160 10.242 -2.205 277 HG21 THR 36 3HG2 THR 36 -3.320 7.670 -0.055 278 HG22 THR 36 1HG2 THR 36 -1.557 7.562 -0.178 279 HG23 THR 36 2HG2 THR 36 -2.565 7.015 -1.534 280 H VAL 37 H VAL 37 -5.645 11.293 -2.204 281 HA VAL 37 HA VAL 37 -4.498 13.175 -4.022 282 HB VAL 37 HB VAL 37 -6.116 14.770 -2.765 283 HG11 VAL 37 1HG1 VAL 37 -6.897 12.412 -4.451 284 HG12 VAL 37 2HG1 VAL 37 -8.003 13.760 -4.059 285 HG13 VAL 37 3HG1 VAL 37 -6.509 14.059 -4.963 286 HG21 VAL 37 3HG2 VAL 37 -7.247 12.152 -1.682 287 HG22 VAL 37 1HG2 VAL 37 -6.417 13.409 -0.718 288 HG23 VAL 37 2HG2 VAL 37 -7.941 13.767 -1.534 289 H GLU 38 H GLU 38 -4.402 12.857 -0.479 290 HA GLU 38 HA GLU 38 -2.494 14.971 -0.068 291 HB2 GLU 38 1HB GLU 38 -3.538 12.576 1.449 292 HB3 GLU 38 2HB GLU 38 -1.920 13.160 1.847 293 HG2 GLU 38 1HG GLU 38 -3.292 14.401 3.299 294 HG3 GLU 38 2HG GLU 38 -2.823 15.458 1.990 295 H SER 39 H SER 39 -0.840 15.002 -1.404 296 HA SER 39 HA SER 39 0.491 12.883 -2.647 297 HB2 SER 39 1HB SER 39 1.886 15.347 -1.548 298 HB3 SER 39 2HB SER 39 2.128 14.522 -3.091 299 HG SER 39 HG SER 39 0.536 15.571 -3.972 300 H PHE 40 H PHE 40 2.215 11.464 -1.869 301 HA PHE 40 HA PHE 40 3.121 11.983 0.931 302 HB2 PHE 40 1HB PHE 40 1.976 9.403 -0.211 303 HB3 PHE 40 2HB PHE 40 3.135 9.431 1.100 304 HD1 PHE 40 1HD PHE 40 2.602 10.668 3.259 305 HD2 PHE 40 2HD PHE 40 -0.318 9.694 0.300 306 HE1 PHE 40 1HE PHE 40 0.802 10.719 5.018 307 HE2 PHE 40 2HE PHE 40 -2.123 9.770 2.031 308 HZ PHE 40 HZ PHE 40 -1.555 10.185 4.377 309 HA PRO 41 HA PRO 41 7.003 10.900 -1.041 310 HB2 PRO 41 1HB PRO 41 8.536 10.449 1.175 311 HB3 PRO 41 2HB PRO 41 8.013 12.088 0.618 312 HG2 PRO 41 1HG PRO 41 6.888 10.478 2.888 313 HG3 PRO 41 2HG PRO 41 7.114 12.241 2.742 314 HD2 PRO 41 1HD PRO 41 4.726 10.911 2.326 315 HD3 PRO 41 2HD PRO 41 5.148 12.511 1.652 316 H LEU 42 H LEU 42 6.396 8.929 -2.070 317 HA LEU 42 HA LEU 42 6.766 6.462 -0.524 318 HB2 LEU 42 1HB LEU 42 5.283 7.042 -2.824 319 HB3 LEU 42 2HB LEU 42 6.708 6.294 -3.520 320 HG LEU 42 HG LEU 42 4.620 5.119 -1.674 321 HD11 LEU 42 1HD1 LEU 42 4.307 4.925 -4.130 322 HD12 LEU 42 2HD1 LEU 42 4.490 3.364 -3.378 323 HD13 LEU 42 3HD1 LEU 42 5.860 4.091 -4.271 324 HD21 LEU 42 3HD2 LEU 42 6.641 4.348 -0.641 325 HD22 LEU 42 1HD2 LEU 42 7.351 3.892 -2.211 326 HD23 LEU 42 2HD2 LEU 42 5.930 3.029 -1.537 327 H VAL 43 H VAL 43 8.856 5.757 -0.090 328 HA VAL 43 HA VAL 43 11.088 6.558 -1.941 329 HB VAL 43 HB VAL 43 12.477 6.635 0.236 330 HG11 VAL 43 1HG1 VAL 43 11.797 8.965 0.651 331 HG12 VAL 43 2HG1 VAL 43 11.767 8.637 -1.093 332 HG13 VAL 43 3HG1 VAL 43 10.248 8.701 -0.173 333 HG21 VAL 43 3HG2 VAL 43 9.818 7.246 1.555 334 HG22 VAL 43 1HG2 VAL 43 10.488 5.611 1.626 335 HG23 VAL 43 2HG2 VAL 43 11.410 6.968 2.297 336 H ILE 44 H ILE 44 12.428 4.969 -2.540 337 HA ILE 44 HA ILE 44 11.643 2.228 -1.736 338 HB ILE 44 HB ILE 44 13.153 3.062 -4.230 339 HG12 ILE 44 1HG1 ILE 44 10.132 2.722 -3.961 340 HG13 ILE 44 2HG1 ILE 44 10.972 4.251 -4.215 341 HG21 ILE 44 1HG2 ILE 44 12.469 0.821 -5.003 342 HG22 ILE 44 2HG2 ILE 44 13.306 0.684 -3.454 343 HG23 ILE 44 3HG2 ILE 44 11.534 0.564 -3.513 344 HD11 ILE 44 3HD1 ILE 44 11.874 3.406 -6.360 345 HD12 ILE 44 1HD1 ILE 44 10.871 1.942 -6.152 346 HD13 ILE 44 2HD1 ILE 44 10.110 3.518 -6.322 347 H ALA 45 H ALA 45 12.879 1.934 0.118 348 HA ALA 45 HA ALA 45 15.823 2.261 -0.194 349 HB1 ALA 45 1HB ALA 45 14.268 2.486 2.375 350 HB2 ALA 45 2HB ALA 45 15.976 2.847 2.061 351 HB3 ALA 45 3HB ALA 45 14.743 3.888 1.357 352 H GLY 46 H GLY 46 17.073 0.973 1.122 353 HA2 GLY 46 2HA GLY 46 17.560 -0.977 2.461 354 HA3 GLY 46 1HA GLY 46 16.004 -1.671 2.025 355 H GLU 47 H GLU 47 17.531 -3.564 1.367 356 HA GLU 47 HA GLU 47 19.033 -3.080 -1.167 357 HB2 GLU 47 1HB GLU 47 19.956 -4.273 1.050 358 HB3 GLU 47 2HB GLU 47 19.120 -5.657 0.338 359 HG2 GLU 47 1HG GLU 47 20.488 -4.903 -1.843 360 HG3 GLU 47 2HG GLU 47 21.519 -4.111 -0.662 361 H HIS 48 H HIS 48 16.080 -4.563 -0.066 362 HA HIS 48 HA HIS 48 16.081 -6.278 -2.448 363 HB2 HIS 48 1HB HIS 48 14.728 -6.383 0.242 364 HB3 HIS 48 2HB HIS 48 13.912 -7.138 -1.095 365 HD1 HIS 48 1HD HIS 48 16.259 -8.614 -2.627 366 HD2 HIS 48 2HD HIS 48 15.750 -8.412 1.565 367 HE1 HIS 48 1HE HIS 48 17.208 -10.746 -1.701 368 H ASN 49 H ASN 49 15.221 -3.299 -1.929 369 HA ASN 49 HA ASN 49 13.966 -1.747 -2.923 370 HB2 ASN 49 1HB ASN 49 13.083 -3.851 -4.897 371 HB3 ASN 49 2HB ASN 49 12.928 -2.107 -5.097 372 HD21 ASN 49 1HD2 ASN 49 15.303 -0.959 -4.736 373 HD22 ASN 49 2HD2 ASN 49 16.628 -1.896 -5.422 374 H ILE 50 H ILE 50 12.948 -2.033 -0.856 375 HA ILE 50 HA ILE 50 10.177 -2.979 -0.898 376 HB ILE 50 HB ILE 50 12.050 -2.436 1.415 377 HG12 ILE 50 1HG1 ILE 50 10.832 -5.039 0.339 378 HG13 ILE 50 2HG1 ILE 50 12.481 -4.567 0.013 379 HG21 ILE 50 1HG2 ILE 50 9.226 -3.573 1.296 380 HG22 ILE 50 2HG2 ILE 50 10.199 -3.394 2.767 381 HG23 ILE 50 3HG2 ILE 50 9.643 -1.951 1.927 382 HD11 ILE 50 3HD1 ILE 50 12.553 -6.153 1.782 383 HD12 ILE 50 1HD1 ILE 50 12.929 -4.575 2.505 384 HD13 ILE 50 2HD1 ILE 50 11.317 -5.307 2.719 385 HA PRO 51 HA PRO 51 9.718 1.616 -1.454 386 HB2 PRO 51 1HB PRO 51 7.222 1.553 -2.564 387 HB3 PRO 51 2HB PRO 51 8.708 1.200 -3.473 388 HG2 PRO 51 1HG PRO 51 6.825 -0.797 -2.219 389 HG3 PRO 51 2HG PRO 51 7.459 -0.757 -3.896 390 HD2 PRO 51 1HD PRO 51 8.615 -2.282 -2.010 391 HD3 PRO 51 2HD PRO 51 9.609 -1.401 -3.210 392 H TRP 52 H TRP 52 9.571 2.436 0.632 393 HA TRP 52 HA TRP 52 7.476 1.468 2.483 394 HB2 TRP 52 1HB TRP 52 9.731 3.478 2.918 395 HB3 TRP 52 2HB TRP 52 8.661 2.824 4.143 396 HD1 TRP 52 HD TRP 52 11.630 1.888 1.988 397 HE1 TRP 52 1HE TRP 52 12.642 -0.322 2.760 398 HE3 TRP 52 3HE TRP 52 8.163 0.679 5.504 399 HZ2 TRP 52 2HZ TRP 52 11.976 -2.419 4.750 400 HZ3 TRP 52 3HZ TRP 52 8.281 -1.429 6.715 401 HH2 TRP 52 HH TRP 52 10.203 -3.003 6.384 402 H LEU 53 H LEU 53 5.562 2.712 2.862 403 HA LEU 53 HA LEU 53 5.550 5.317 1.574 404 HB2 LEU 53 1HB LEU 53 3.664 3.510 1.393 405 HB3 LEU 53 2HB LEU 53 3.169 4.114 2.962 406 HG LEU 53 HG LEU 53 2.972 5.283 0.266 407 HD11 LEU 53 1HD1 LEU 53 0.967 4.681 1.563 408 HD12 LEU 53 2HD1 LEU 53 0.966 6.431 1.363 409 HD13 LEU 53 3HD1 LEU 53 1.481 5.714 2.906 410 HD21 LEU 53 3HD2 LEU 53 4.534 6.926 0.868 411 HD22 LEU 53 1HD2 LEU 53 3.505 7.379 2.267 412 HD23 LEU 53 2HD2 LEU 53 2.909 7.448 0.568 413 H LEU 54 H LEU 54 6.473 6.813 2.833 414 HA LEU 54 HA LEU 54 6.416 6.829 5.680 415 HB2 LEU 54 1HB LEU 54 7.476 8.517 3.384 416 HB3 LEU 54 2HB LEU 54 7.488 9.132 5.031 417 HG LEU 54 HG LEU 54 8.601 7.238 5.796 418 HD11 LEU 54 1HD1 LEU 54 8.237 5.480 4.545 419 HD12 LEU 54 2HD1 LEU 54 9.930 5.832 4.155 420 HD13 LEU 54 3HD1 LEU 54 8.592 6.348 3.053 421 HD21 LEU 54 3HD2 LEU 54 10.876 7.924 4.879 422 HD22 LEU 54 1HD2 LEU 54 9.849 9.324 5.220 423 HD23 LEU 54 2HD2 LEU 54 10.033 8.751 3.549 424 H TYR 55 H TYR 55 5.171 8.018 7.062 425 HA TYR 55 HA TYR 55 2.764 9.231 5.970 426 HB2 TYR 55 1HB TYR 55 2.835 7.840 8.039 427 HB3 TYR 55 2HB TYR 55 3.655 9.164 8.857 428 HD1 TYR 55 2HD TYR 55 0.605 8.457 6.730 429 HD2 TYR 55 1HD TYR 55 2.308 10.806 9.916 430 HE1 TYR 55 2HE TYR 55 -1.667 9.240 7.367 431 HE2 TYR 55 1HE TYR 55 0.065 11.716 10.441 432 HH TYR 55 HH TYR 55 -2.222 11.913 9.558 433 H LEU 56 H LEU 56 3.624 10.892 4.690 434 HA LEU 56 HA LEU 56 3.758 13.336 6.290 435 HB2 LEU 56 1HB LEU 56 6.099 12.450 5.030 436 HB3 LEU 56 2HB LEU 56 5.508 13.601 3.922 437 HG LEU 56 HG LEU 56 5.136 14.838 6.489 438 HD11 LEU 56 1HD1 LEU 56 6.689 13.171 7.389 439 HD12 LEU 56 2HD1 LEU 56 7.380 14.804 7.408 440 HD13 LEU 56 3HD1 LEU 56 7.910 13.639 6.174 441 HD21 LEU 56 3HD2 LEU 56 6.806 16.432 5.661 442 HD22 LEU 56 1HD2 LEU 56 5.551 16.052 4.475 443 HD23 LEU 56 2HD2 LEU 56 7.184 15.336 4.317 444 HA PRO 57 HA PRO 57 0.636 13.416 2.934 445 HB2 PRO 57 1HB PRO 57 -1.211 14.996 4.234 446 HB3 PRO 57 2HB PRO 57 -1.099 13.220 4.445 447 HG2 PRO 57 1HG PRO 57 0.045 15.399 6.212 448 HG3 PRO 57 2HG PRO 57 -0.856 13.934 6.708 449 HD2 PRO 57 1HD PRO 57 1.877 14.075 6.763 450 HD3 PRO 57 2HD PRO 57 1.026 12.554 6.362 451 H GLY 58 H GLY 58 0.624 14.951 1.387 452 HA2 GLY 58 2HA GLY 58 0.653 17.062 0.400 453 HA3 GLY 58 1HA GLY 58 0.921 17.801 1.977 454 H LYS 59 H LYS 59 3.194 15.147 1.300 455 HA LYS 59 HA LYS 59 5.095 16.980 -0.084 456 HB2 LYS 59 1HB LYS 59 5.699 16.671 2.312 457 HB3 LYS 59 2HB LYS 59 5.540 14.922 2.119 458 HG2 LYS 59 1HG LYS 59 7.834 15.250 2.065 459 HG3 LYS 59 2HG LYS 59 7.412 15.062 0.389 460 HD2 LYS 59 1HD LYS 59 8.748 16.904 0.208 461 HD3 LYS 59 2HD LYS 59 7.234 17.762 0.497 462 HE2 LYS 59 1HE LYS 59 7.755 18.079 2.832 463 HE3 LYS 59 2HE LYS 59 9.121 16.956 2.744 464 HZ1 LYS 59 3HZ LYS 59 9.036 19.494 1.213 465 HZ2 LYS 59 1HZ LYS 59 10.274 18.450 1.318 466 HZ3 LYS 59 2HZ LYS 59 9.824 19.314 2.633 467 H GLY 60 H GLY 60 6.288 15.813 -1.792 468 HA2 GLY 60 2HA GLY 60 6.743 14.017 -3.193 469 HA3 GLY 60 1HA GLY 60 5.902 12.916 -2.084 470 H HIS 61 H HIS 61 4.301 11.923 -3.397 471 HA HIS 61 HA HIS 61 2.805 13.668 -5.294 472 HB2 HIS 61 1HB HIS 61 4.241 11.129 -6.109 473 HB3 HIS 61 2HB HIS 61 3.406 12.293 -7.141 474 HD1 HIS 61 1HD HIS 61 4.662 14.858 -7.192 475 HD2 HIS 61 2HD HIS 61 6.801 11.505 -5.800 476 HE1 HIS 61 1HE HIS 61 7.087 15.574 -7.053 477 H CYS 62 H CYS 62 1.060 12.331 -6.473 478 HA CYS 62 HA CYS 62 -0.503 11.070 -4.348 479 HB2 CYS 62 1HB CYS 62 -1.140 11.655 -7.269 480 HB3 CYS 62 2HB CYS 62 -2.286 10.973 -6.109 481 HG CYS 62 HG CYS 62 -2.202 12.853 -4.356 482 H VAL 63 H VAL 63 0.124 9.132 -3.769 483 HA VAL 63 HA VAL 63 1.028 7.128 -5.538 484 HB VAL 63 HB VAL 63 -0.195 6.677 -2.782 485 HG11 VAL 63 1HG1 VAL 63 0.432 4.671 -4.102 486 HG12 VAL 63 2HG1 VAL 63 2.047 5.356 -4.385 487 HG13 VAL 63 3HG1 VAL 63 1.551 4.872 -2.742 488 HG21 VAL 63 3HG2 VAL 63 1.279 8.480 -2.331 489 HG22 VAL 63 1HG2 VAL 63 2.092 7.002 -1.834 490 HG23 VAL 63 2HG2 VAL 63 2.554 7.811 -3.343 491 H THR 64 H THR 64 -0.290 6.495 -7.225 492 HA THR 64 HA THR 64 -3.170 6.254 -6.788 493 HB THR 64 HB THR 64 -3.191 5.440 -9.152 494 HG1 THR 64 1HG THR 64 -1.027 6.425 -10.097 495 HG21 THR 64 3HG2 THR 64 -3.542 7.797 -8.414 496 HG22 THR 64 1HG2 THR 64 -2.937 7.631 -10.045 497 HG23 THR 64 2HG2 THR 64 -1.829 8.115 -8.732 498 H GLY 65 H GLY 65 -4.428 4.390 -6.765 499 HA2 GLY 65 2HA GLY 65 -3.187 1.762 -6.462 500 HA3 GLY 65 1HA GLY 65 -3.706 2.573 -4.985 501 H GLU 66 H GLU 66 -5.398 1.028 -4.568 502 HA GLU 66 HA GLU 66 -7.827 1.345 -6.167 503 HB2 GLU 66 1HB GLU 66 -6.329 -0.596 -7.001 504 HB3 GLU 66 2HB GLU 66 -6.785 -1.446 -5.533 505 HG2 GLU 66 1HG GLU 66 -8.993 -1.713 -6.326 506 HG3 GLU 66 2HG GLU 66 -8.913 -0.234 -7.296 507 H ILE 67 H ILE 67 -9.740 0.234 -4.920 508 HA ILE 67 HA ILE 67 -9.258 0.496 -1.997 509 HB ILE 67 HB ILE 67 -11.588 1.407 -3.725 510 HG12 ILE 67 1HG1 ILE 67 -9.665 2.944 -1.918 511 HG13 ILE 67 2HG1 ILE 67 -9.613 2.919 -3.671 512 HG21 ILE 67 1HG2 ILE 67 -12.500 0.401 -1.712 513 HG22 ILE 67 2HG2 ILE 67 -11.330 1.231 -0.685 514 HG23 ILE 67 3HG2 ILE 67 -12.615 2.131 -1.547 515 HD11 ILE 67 3HD1 ILE 67 -11.788 4.157 -1.962 516 HD12 ILE 67 1HD1 ILE 67 -10.690 4.946 -3.099 517 HD13 ILE 67 2HD1 ILE 67 -11.959 3.851 -3.706 518 H TYR 68 H TYR 68 -9.735 -1.301 -0.918 519 HA TYR 68 HA TYR 68 -11.473 -3.321 -2.205 520 HB2 TYR 68 1HB TYR 68 -9.104 -3.809 -0.377 521 HB3 TYR 68 2HB TYR 68 -10.219 -5.028 -0.975 522 HD1 TYR 68 1HD TYR 68 -10.561 -5.188 -3.536 523 HD2 TYR 68 2HD TYR 68 -7.072 -3.341 -1.738 524 HE1 TYR 68 1HE TYR 68 -9.433 -5.157 -5.752 525 HE2 TYR 68 2HE TYR 68 -5.950 -3.452 -3.903 526 HH TYR 68 HH TYR 68 -7.566 -4.058 -6.962 527 H GLU 69 H GLU 69 -13.179 -3.908 -1.144 528 HA GLU 69 HA GLU 69 -13.777 -3.149 1.643 529 HB2 GLU 69 1HB GLU 69 -15.691 -3.550 0.097 530 HB3 GLU 69 2HB GLU 69 -15.031 -5.139 -0.305 531 HG2 GLU 69 1HG GLU 69 -15.237 -5.725 2.189 532 HG3 GLU 69 2HG GLU 69 -16.095 -4.209 2.389 533 H VAL 70 H VAL 70 -12.664 -4.254 3.211 534 HA VAL 70 HA VAL 70 -11.870 -7.027 2.594 535 HB VAL 70 HB VAL 70 -9.915 -6.739 4.042 536 HG11 VAL 70 1HG1 VAL 70 -9.683 -6.515 1.580 537 HG12 VAL 70 2HG1 VAL 70 -9.879 -4.758 1.735 538 HG13 VAL 70 3HG1 VAL 70 -8.481 -5.563 2.476 539 HG21 VAL 70 3HG2 VAL 70 -9.055 -4.551 4.672 540 HG22 VAL 70 1HG2 VAL 70 -10.504 -3.761 4.006 541 HG23 VAL 70 2HG2 VAL 70 -10.635 -4.846 5.409 542 H ASP 71 H ASP 71 -11.785 -8.318 4.598 543 HA ASP 71 HA ASP 71 -13.850 -7.378 6.564 544 HB2 ASP 71 1HB ASP 71 -13.137 -10.180 5.650 545 HB3 ASP 71 2HB ASP 71 -13.909 -9.849 7.190 546 H GLU 72 H GLU 72 -13.428 -8.449 8.738 547 HA GLU 72 HA GLU 72 -11.006 -7.367 9.726 548 HB2 GLU 72 1HB GLU 72 -13.386 -8.678 10.822 549 HB3 GLU 72 2HB GLU 72 -11.928 -9.202 11.686 550 HG2 GLU 72 1HG GLU 72 -11.266 -6.946 12.162 551 HG3 GLU 72 2HG GLU 72 -12.444 -6.310 11.036 552 H GLN 73 H GLN 73 -11.789 -10.749 8.817 553 HA GLN 73 HA GLN 73 -9.409 -11.881 9.747 554 HB2 GLN 73 1HB GLN 73 -11.331 -13.140 8.846 555 HB3 GLN 73 2HB GLN 73 -10.915 -12.601 7.226 556 HG2 GLN 73 1HG GLN 73 -10.156 -14.965 7.825 557 HG3 GLN 73 2HG GLN 73 -8.903 -13.900 7.198 558 HE21 GLN 73 1HE2 GLN 73 -10.297 -14.473 10.479 559 HE22 GLN 73 2HE2 GLN 73 -8.695 -14.432 11.276 560 H MET 74 H MET 74 -9.908 -10.021 6.742 561 HA MET 74 HA MET 74 -7.278 -10.691 5.657 562 HB2 MET 74 1HB MET 74 -9.090 -10.103 4.157 563 HB3 MET 74 2HB MET 74 -9.438 -8.644 5.011 564 HG2 MET 74 1HG MET 74 -8.397 -8.084 2.963 565 HG3 MET 74 2HG MET 74 -7.320 -7.629 4.272 566 HE1 MET 74 3HE MET 74 -6.710 -11.255 1.463 567 HE2 MET 74 1HE MET 74 -7.580 -11.433 2.998 568 HE3 MET 74 2HE MET 74 -8.242 -10.384 1.724 569 H LEU 75 H LEU 75 -8.725 -7.776 7.302 570 HA LEU 75 HA LEU 75 -6.273 -6.379 7.365 571 HB2 LEU 75 1HB LEU 75 -8.662 -5.626 8.092 572 HB3 LEU 75 2HB LEU 75 -8.268 -6.300 9.656 573 HG LEU 75 HG LEU 75 -6.214 -4.825 9.760 574 HD11 LEU 75 1HD1 LEU 75 -5.773 -4.300 7.430 575 HD12 LEU 75 2HD1 LEU 75 -6.207 -2.797 8.231 576 HD13 LEU 75 3HD1 LEU 75 -7.400 -3.638 7.216 577 HD21 LEU 75 3HD2 LEU 75 -8.852 -3.363 9.448 578 HD22 LEU 75 1HD2 LEU 75 -7.416 -2.790 10.330 579 HD23 LEU 75 2HD2 LEU 75 -8.282 -4.236 10.880 580 H ARG 76 H ARG 76 -7.512 -8.820 9.553 581 HA ARG 76 HA ARG 76 -5.503 -8.652 11.602 582 HB2 ARG 76 1HB ARG 76 -7.499 -10.778 10.753 583 HB3 ARG 76 2HB ARG 76 -6.241 -11.220 11.867 584 HG2 ARG 76 1HG ARG 76 -6.984 -9.046 13.205 585 HG3 ARG 76 2HG ARG 76 -8.466 -9.183 12.241 586 HD2 ARG 76 1HD ARG 76 -8.361 -11.707 12.988 587 HD3 ARG 76 2HD ARG 76 -7.253 -11.117 14.238 588 HE ARG 76 HE ARG 76 -9.575 -9.475 14.211 589 HH11 ARG 76 1HH1 ARG 76 -8.419 -12.668 15.292 590 HH12 ARG 76 2HH1 ARG 76 -9.783 -13.026 16.254 591 HH21 ARG 76 1HH2 ARG 76 -11.524 -9.997 15.484 592 HH22 ARG 76 2HH2 ARG 76 -11.584 -11.516 16.325 593 H PHE 77 H PHE 77 -5.878 -10.891 8.827 594 HA PHE 77 HA PHE 77 -3.497 -12.251 9.192 595 HB2 PHE 77 1HB PHE 77 -5.289 -13.031 7.671 596 HB3 PHE 77 2HB PHE 77 -5.138 -11.585 6.709 597 HD1 PHE 77 2HD PHE 77 -3.237 -14.703 7.652 598 HD2 PHE 77 1HD PHE 77 -3.558 -11.317 4.993 599 HE1 PHE 77 2HE PHE 77 -1.616 -15.757 6.102 600 HE2 PHE 77 1HE PHE 77 -1.843 -12.309 3.529 601 HZ PHE 77 HZ PHE 77 -0.939 -14.589 4.025 602 H LEU 78 H LEU 78 -4.110 -9.406 7.066 603 HA LEU 78 HA LEU 78 -1.491 -9.283 6.046 604 HB2 LEU 78 1HB LEU 78 -3.470 -7.032 6.511 605 HB3 LEU 78 2HB LEU 78 -1.975 -6.860 5.591 606 HG LEU 78 HG LEU 78 -4.214 -8.757 4.810 607 HD11 LEU 78 1HD1 LEU 78 -4.965 -6.443 4.676 608 HD12 LEU 78 2HD1 LEU 78 -4.629 -7.031 3.040 609 HD13 LEU 78 3HD1 LEU 78 -3.469 -5.959 3.838 610 HD21 LEU 78 3HD2 LEU 78 -2.033 -9.475 3.913 611 HD22 LEU 78 1HD2 LEU 78 -1.781 -7.844 3.231 612 HD23 LEU 78 2HD2 LEU 78 -3.106 -8.888 2.651 613 H ASP 79 H ASP 79 -2.644 -8.317 9.228 614 HA ASP 79 HA ASP 79 -0.536 -6.419 9.818 615 HB2 ASP 79 1HB ASP 79 -2.886 -6.810 10.904 616 HB3 ASP 79 2HB ASP 79 -2.070 -8.024 11.883 617 H ASP 80 H ASP 80 -0.729 -9.854 9.693 618 HA ASP 80 HA ASP 80 1.788 -10.350 11.173 619 HB2 ASP 80 1HB ASP 80 -0.035 -12.037 11.294 620 HB3 ASP 80 2HB ASP 80 -0.041 -12.180 9.546 621 H PHE 81 H PHE 81 0.422 -10.584 7.863 622 HA PHE 81 HA PHE 81 2.721 -11.496 6.560 623 HB2 PHE 81 1HB PHE 81 0.497 -11.488 5.503 624 HB3 PHE 81 2HB PHE 81 0.476 -9.730 5.549 625 HD1 PHE 81 1HD PHE 81 3.257 -12.011 4.325 626 HD2 PHE 81 2HD PHE 81 0.326 -8.983 3.368 627 HE1 PHE 81 1HE PHE 81 4.078 -11.937 1.998 628 HE2 PHE 81 2HE PHE 81 1.185 -8.884 1.055 629 HZ PHE 81 HZ PHE 81 3.038 -10.389 0.348 630 H GLU 82 H GLU 82 1.773 -8.115 7.255 631 HA GLU 82 HA GLU 82 4.158 -7.135 5.787 632 HB2 GLU 82 1HB GLU 82 2.007 -5.399 7.042 633 HB3 GLU 82 2HB GLU 82 3.172 -5.002 5.783 634 HG2 GLU 82 1HG GLU 82 1.640 -7.261 4.799 635 HG3 GLU 82 2HG GLU 82 0.523 -6.146 5.508 636 H ASP 83 H ASP 83 3.962 -8.552 8.482 637 HA ASP 83 HA ASP 83 4.972 -8.592 10.504 638 HB2 ASP 83 1HB ASP 83 7.142 -7.395 8.745 639 HB3 ASP 83 2HB ASP 83 7.428 -7.913 10.393 640 H CYS 84 H CYS 84 3.228 -6.439 10.411 641 HA CYS 84 HA CYS 84 4.423 -4.072 11.630 642 HB2 CYS 84 1HB CYS 84 1.603 -5.121 11.412 643 HB3 CYS 84 2HB CYS 84 1.994 -3.470 11.928 644 HG CYS 84 HG CYS 84 3.280 -4.766 9.184 645 HA PRO 85 HA PRO 85 3.408 -2.519 13.353 646 HB2 PRO 85 1HB PRO 85 4.251 -1.521 15.705 647 HB3 PRO 85 2HB PRO 85 2.600 -2.157 15.471 648 HG2 PRO 85 1HG PRO 85 4.987 -3.591 16.674 649 HG3 PRO 85 2HG PRO 85 3.329 -3.457 17.345 650 HD2 PRO 85 1HD PRO 85 4.139 -5.634 15.902 651 HD3 PRO 85 2HD PRO 85 2.474 -4.998 15.790 652 H SER 86 H SER 86 6.078 -4.692 13.852 653 HA SER 86 HA SER 86 8.276 -3.016 14.131 654 HB2 SER 86 1HB SER 86 7.808 -5.667 12.718 655 HB3 SER 86 2HB SER 86 9.334 -4.905 12.660 656 HG SER 86 HG SER 86 8.740 -6.540 14.336 657 H MET 87 H MET 87 7.179 -4.456 10.965 658 HA MET 87 HA MET 87 9.143 -2.702 9.732 659 HB2 MET 87 1HB MET 87 7.104 -4.536 8.450 660 HB3 MET 87 2HB MET 87 8.374 -3.631 7.611 661 HG2 MET 87 1HG MET 87 10.017 -4.796 9.129 662 HG3 MET 87 2HG MET 87 8.716 -5.918 9.514 663 HE1 MET 87 3HE MET 87 7.183 -6.325 6.751 664 HE2 MET 87 1HE MET 87 7.956 -4.936 5.950 665 HE3 MET 87 2HE MET 87 8.195 -6.560 5.299 666 H TYR 88 H TYR 88 5.522 -2.855 9.815 667 HA TYR 88 HA TYR 88 5.564 -0.038 8.833 668 HB2 TYR 88 1HB TYR 88 3.568 -2.164 8.051 669 HB3 TYR 88 2HB TYR 88 3.361 -0.476 7.736 670 HD1 TYR 88 2HD TYR 88 4.872 0.662 6.025 671 HD2 TYR 88 1HD TYR 88 5.056 -3.553 6.881 672 HE1 TYR 88 2HE TYR 88 6.145 0.289 3.933 673 HE2 TYR 88 1HE TYR 88 6.346 -3.941 4.887 674 HH TYR 88 HH TYR 88 7.495 -2.962 3.168 675 H GLN 89 H GLN 89 3.616 1.131 9.502 676 HA GLN 89 HA GLN 89 2.313 0.131 11.977 677 HB2 GLN 89 1HB GLN 89 3.251 2.982 11.425 678 HB3 GLN 89 2HB GLN 89 2.244 2.459 12.770 679 HG2 GLN 89 1HG GLN 89 4.199 2.297 13.892 680 HG3 GLN 89 2HG GLN 89 4.291 0.726 13.146 681 HE21 GLN 89 1HE2 GLN 89 6.209 0.311 12.108 682 HE22 GLN 89 2HE2 GLN 89 7.379 1.478 11.571 683 H ARG 90 H ARG 90 0.282 -0.204 11.446 684 HA ARG 90 HA ARG 90 -1.012 0.885 9.071 685 HB2 ARG 90 1HB ARG 90 -1.711 -1.233 9.923 686 HB3 ARG 90 2HB ARG 90 -2.051 -0.590 11.523 687 HG2 ARG 90 1HG ARG 90 -3.526 0.422 9.055 688 HG3 ARG 90 2HG ARG 90 -3.997 -1.086 9.822 689 HD2 ARG 90 1HD ARG 90 -4.036 1.633 11.195 690 HD3 ARG 90 2HD ARG 90 -5.411 0.712 10.589 691 HE ARG 90 HE ARG 90 -3.946 -0.934 12.377 692 HH11 ARG 90 1HH1 ARG 90 -5.931 2.001 12.601 693 HH12 ARG 90 2HH1 ARG 90 -6.925 1.391 13.877 694 HH21 ARG 90 1HH2 ARG 90 -4.858 -1.511 14.277 695 HH22 ARG 90 2HH2 ARG 90 -6.067 -0.576 15.095 696 H THR 91 H THR 91 -1.986 2.833 8.868 697 HA THR 91 HA THR 91 -2.495 4.515 11.256 698 HB THR 91 HB THR 91 -1.241 5.284 8.585 699 HG1 THR 91 1HG THR 91 -0.083 4.828 11.136 700 HG21 THR 91 3HG2 THR 91 -0.539 7.352 9.554 701 HG22 THR 91 1HG2 THR 91 -1.228 6.936 11.122 702 HG23 THR 91 2HG2 THR 91 -2.286 7.237 9.713 703 H ALA 92 H ALA 92 -4.053 6.264 10.673 704 HA ALA 92 HA ALA 92 -6.011 5.406 8.594 705 HB1 ALA 92 1HB ALA 92 -7.686 6.463 9.887 706 HB2 ALA 92 2HB ALA 92 -6.781 5.410 10.990 707 HB3 ALA 92 3HB ALA 92 -6.491 7.170 11.007 708 H LEU 93 H LEU 93 -6.253 6.733 6.927 709 HA LEU 93 HA LEU 93 -5.098 9.445 6.913 710 HB2 LEU 93 1HB LEU 93 -3.534 8.991 5.297 711 HB3 LEU 93 2HB LEU 93 -3.426 7.548 6.290 712 HG LEU 93 HG LEU 93 -4.542 7.533 3.645 713 HD11 LEU 93 1HD1 LEU 93 -2.061 6.532 4.692 714 HD12 LEU 93 2HD1 LEU 93 -2.393 7.947 3.672 715 HD13 LEU 93 3HD1 LEU 93 -2.757 6.382 3.029 716 HD21 LEU 93 3HD2 LEU 93 -6.129 6.332 4.951 717 HD22 LEU 93 1HD2 LEU 93 -4.827 5.330 5.583 718 HD23 LEU 93 2HD2 LEU 93 -5.290 5.382 3.830 719 H GLN 94 H GLN 94 -5.298 9.874 4.117 720 HA GLN 94 HA GLN 94 -8.155 9.442 3.633 721 HB2 GLN 94 1HB GLN 94 -7.512 11.774 4.452 722 HB3 GLN 94 2HB GLN 94 -6.484 11.925 3.034 723 HG2 GLN 94 1HG GLN 94 -8.273 13.063 2.261 724 HG3 GLN 94 2HG GLN 94 -8.801 11.477 1.738 725 HE21 GLN 94 1HE2 GLN 94 -10.899 10.914 2.427 726 HE22 GLN 94 2HE2 GLN 94 -11.802 11.862 3.584 727 H VAL 95 H VAL 95 -8.828 8.933 1.596 728 HA VAL 95 HA VAL 95 -6.785 8.981 -0.623 729 HB VAL 95 HB VAL 95 -8.502 6.683 0.362 730 HG11 VAL 95 1HG1 VAL 95 -6.869 6.543 -2.174 731 HG12 VAL 95 2HG1 VAL 95 -7.876 5.289 -1.427 732 HG13 VAL 95 3HG1 VAL 95 -8.645 6.703 -2.100 733 HG21 VAL 95 3HG2 VAL 95 -6.351 5.480 0.565 734 HG22 VAL 95 1HG2 VAL 95 -5.472 6.877 -0.106 735 HG23 VAL 95 2HG2 VAL 95 -6.271 6.943 1.492 736 H GLN 96 H GLN 96 -7.794 9.370 -2.698 737 HA GLN 96 HA GLN 96 -10.446 10.429 -2.613 738 HB2 GLN 96 1HB GLN 96 -9.000 11.858 -3.693 739 HB3 GLN 96 2HB GLN 96 -8.191 10.544 -4.656 740 HG2 GLN 96 1HG GLN 96 -10.625 10.289 -5.714 741 HG3 GLN 96 2HG GLN 96 -10.894 11.884 -5.048 742 HE21 GLN 96 1HE2 GLN 96 -9.129 13.599 -5.771 743 HE22 GLN 96 2HE2 GLN 96 -8.815 13.489 -7.489 744 H VAL 97 H VAL 97 -12.002 9.489 -3.426 745 HA VAL 97 HA VAL 97 -11.706 6.713 -4.436 746 HB VAL 97 HB VAL 97 -13.173 7.238 -2.690 747 HG11 VAL 97 1HG1 VAL 97 -15.049 8.069 -2.386 748 HG12 VAL 97 2HG1 VAL 97 -13.760 9.196 -2.750 749 HG13 VAL 97 3HG1 VAL 97 -15.061 8.738 -4.011 750 HG21 VAL 97 3HG2 VAL 97 -13.713 5.255 -4.147 751 HG22 VAL 97 1HG2 VAL 97 -15.186 5.967 -3.437 752 HG23 VAL 97 2HG2 VAL 97 -14.758 6.318 -5.108 753 H LEU 98 H LEU 98 -11.124 6.626 -6.390 754 HA LEU 98 HA LEU 98 -11.616 8.736 -8.383 755 HB2 LEU 98 1HB LEU 98 -9.866 6.315 -8.108 756 HB3 LEU 98 2HB LEU 98 -10.536 6.569 -9.725 757 HG LEU 98 HG LEU 98 -9.759 9.035 -9.428 758 HD11 LEU 98 1HD1 LEU 98 -9.073 8.701 -6.985 759 HD12 LEU 98 2HD1 LEU 98 -7.836 9.372 -8.046 760 HD13 LEU 98 3HD1 LEU 98 -7.751 7.674 -7.591 761 HD21 LEU 98 3HD2 LEU 98 -8.852 7.530 -11.044 762 HD22 LEU 98 1HD2 LEU 98 -7.821 6.729 -9.830 763 HD23 LEU 98 2HD2 LEU 98 -7.518 8.426 -10.296 764 H GLU 99 H GLU 99 -13.039 5.744 -7.283 765 HA GLU 99 HA GLU 99 -15.249 5.829 -9.118 766 HB2 GLU 99 1HB GLU 99 -13.528 4.717 -10.483 767 HB3 GLU 99 2HB GLU 99 -13.202 3.561 -9.195 768 HG2 GLU 99 1HG GLU 99 -15.414 2.557 -9.507 769 HG3 GLU 99 2HG GLU 99 -15.804 3.769 -10.746 770 H TRP 100 H TRP 100 -16.911 4.861 -7.965 771 HA TRP 100 HA TRP 100 -16.229 3.291 -5.522 772 HB2 TRP 100 1HB TRP 100 -17.132 5.554 -4.943 773 HB3 TRP 100 2HB TRP 100 -18.587 5.177 -5.857 774 HD1 TRP 100 HD TRP 100 -20.530 4.088 -4.413 775 HE1 TRP 100 1HE TRP 100 -20.725 2.957 -2.208 776 HE3 TRP 100 3HE TRP 100 -15.554 3.780 -3.199 777 HZ2 TRP 100 2HZ TRP 100 -18.986 2.099 -0.031 778 HZ3 TRP 100 3HZ TRP 100 -14.865 2.793 -1.061 779 HH2 TRP 100 HH TRP 100 -16.575 1.935 0.557 780 H GLU 101 H GLU 101 -17.084 1.335 -5.532 781 HA GLU 101 HA GLU 101 -19.214 0.664 -7.499 782 HB2 GLU 101 1HB GLU 101 -17.121 -1.029 -6.069 783 HB3 GLU 101 2HB GLU 101 -18.477 -1.728 -6.957 784 HG2 GLU 101 1HG GLU 101 -16.482 0.169 -8.267 785 HG3 GLU 101 2HG GLU 101 -16.246 -1.571 -8.162 786 H GLY 102 H GLY 102 -21.168 0.705 -6.624 787 HA2 GLY 102 2HA GLY 102 -22.786 -0.640 -5.444 788 HA3 GLY 102 1HA GLY 102 -21.623 -0.893 -4.147 789 H ASP 103 H ASP 103 -23.949 -0.132 -3.182 790 HA ASP 103 HA ASP 103 -24.047 2.813 -3.149 791 HB2 ASP 103 1HB ASP 103 -26.138 1.217 -3.101 792 HB3 ASP 103 2HB ASP 103 -25.735 1.115 -1.349 793 H GLY 104 H GLY 104 -23.881 4.064 -1.326 794 HA2 GLY 104 2HA GLY 104 -23.446 4.358 1.040 795 HA3 GLY 104 1HA GLY 104 -22.354 2.953 0.969 796 H ASP 105 H ASP 105 -22.902 5.901 -0.855 797 HA ASP 105 HA ASP 105 -20.251 6.228 -1.757 798 HB2 ASP 105 1HB ASP 105 -21.981 6.302 -3.326 799 HB3 ASP 105 2HB ASP 105 -22.947 7.410 -2.336 800 HA PRO 106 HA PRO 106 -19.798 9.351 1.646 801 HB2 PRO 106 1HB PRO 106 -17.070 9.205 1.918 802 HB3 PRO 106 2HB PRO 106 -18.163 7.918 2.514 803 HG2 PRO 106 1HG PRO 106 -16.754 8.040 -0.168 804 HG3 PRO 106 2HG PRO 106 -16.675 6.730 1.063 805 HD2 PRO 106 1HD PRO 106 -18.359 6.603 -1.012 806 HD3 PRO 106 2HD PRO 106 -18.857 6.079 0.624 807 H GLY 107 H GLY 107 -19.236 9.746 -1.684 808 HA2 GLY 107 2HA GLY 107 -18.569 11.550 -2.920 809 HA3 GLY 107 1HA GLY 107 -18.205 12.461 -1.457 810 H ASP 108 H ASP 108 -16.421 12.777 -3.179 811 HA ASP 108 HA ASP 108 -14.626 10.641 -3.984 812 HB2 ASP 108 1HB ASP 108 -13.779 13.527 -4.077 813 HB3 ASP 108 2HB ASP 108 -13.725 12.348 -5.413 814 H SER 109 H SER 109 -14.303 11.975 -0.935 815 HA SER 109 HA SER 109 -11.979 10.263 -1.200 816 HB2 SER 109 1HB SER 109 -11.712 13.036 -0.092 817 HB3 SER 109 2HB SER 109 -10.617 11.759 0.344 818 HG SER 109 HG SER 109 -11.180 12.460 -2.301 819 H VAL 110 H VAL 110 -11.385 9.179 0.551 820 HA VAL 110 HA VAL 110 -13.484 8.918 2.631 821 HB VAL 110 HB VAL 110 -13.570 6.598 2.163 822 HG11 VAL 110 1HG1 VAL 110 -13.386 7.841 -0.564 823 HG12 VAL 110 2HG1 VAL 110 -14.395 6.467 -0.012 824 HG13 VAL 110 3HG1 VAL 110 -14.695 8.131 0.592 825 HG21 VAL 110 3HG2 VAL 110 -12.153 5.503 0.379 826 HG22 VAL 110 1HG2 VAL 110 -11.164 6.955 0.313 827 HG23 VAL 110 2HG2 VAL 110 -11.229 5.979 1.797 828 H GLN 111 H GLN 111 -12.869 7.693 4.397 829 HA GLN 111 HA GLN 111 -10.067 8.005 5.350 830 HB2 GLN 111 1HB GLN 111 -11.837 8.978 6.789 831 HB3 GLN 111 2HB GLN 111 -12.572 7.388 6.981 832 HG2 GLN 111 1HG GLN 111 -9.656 7.851 7.709 833 HG3 GLN 111 2HG GLN 111 -10.942 8.377 8.799 834 HE21 GLN 111 1HE2 GLN 111 -9.122 5.548 7.704 835 HE22 GLN 111 2HE2 GLN 111 -10.145 4.375 8.475 836 H CYS 112 H CYS 112 -8.889 6.269 4.944 837 HA CYS 112 HA CYS 112 -10.038 3.541 5.237 838 HB2 CYS 112 1HB CYS 112 -7.885 3.200 3.503 839 HB3 CYS 112 2HB CYS 112 -9.581 3.382 3.019 840 HG CYS 112 HG CYS 112 -9.381 6.023 2.786 841 H PHE 113 H PHE 113 -8.278 1.978 5.770 842 HA PHE 113 HA PHE 113 -6.103 3.204 7.371 843 HB2 PHE 113 1HB PHE 113 -6.958 0.306 7.097 844 HB3 PHE 113 2HB PHE 113 -5.602 0.852 8.022 845 HD1 PHE 113 2HD PHE 113 -6.346 3.044 9.655 846 HD2 PHE 113 1HD PHE 113 -8.875 -0.209 8.365 847 HE1 PHE 113 2HE PHE 113 -7.914 3.510 11.522 848 HE2 PHE 113 1HE PHE 113 -10.426 0.270 10.239 849 HZ PHE 113 HZ PHE 113 -9.962 2.144 11.796 850 H VAL 114 H VAL 114 -4.029 2.996 6.778 851 HA VAL 114 HA VAL 114 -3.224 1.581 4.382 852 HB VAL 114 HB VAL 114 -3.058 4.644 4.630 853 HG11 VAL 114 1HG1 VAL 114 -1.303 4.504 2.811 854 HG12 VAL 114 2HG1 VAL 114 -0.689 3.964 4.373 855 HG13 VAL 114 3HG1 VAL 114 -1.138 2.764 3.155 856 HG21 VAL 114 3HG2 VAL 114 -3.700 4.600 2.414 857 HG22 VAL 114 1HG2 VAL 114 -3.413 2.829 2.243 858 HG23 VAL 114 2HG2 VAL 114 -4.747 3.448 3.234 859 H TYR 115 H TYR 115 -1.222 0.686 4.648 860 HA TYR 115 HA TYR 115 0.120 0.816 7.244 861 HB2 TYR 115 1HB TYR 115 0.792 -0.465 4.562 862 HB3 TYR 115 2HB TYR 115 1.879 -0.501 5.941 863 HD1 TYR 115 2HD TYR 115 0.612 -1.221 8.281 864 HD2 TYR 115 1HD TYR 115 -0.417 -2.457 4.259 865 HE1 TYR 115 2HE TYR 115 -0.367 -3.321 9.161 866 HE2 TYR 115 1HE TYR 115 -1.330 -4.549 5.141 867 HH TYR 115 HH TYR 115 -0.705 -5.969 7.467 868 H THR 116 H THR 116 1.530 2.394 7.794 869 HA THR 116 HA THR 116 3.082 3.658 5.628 870 HB THR 116 HB THR 116 2.920 5.785 6.634 871 HG1 THR 116 1HG THR 116 1.392 4.726 8.792 872 HG21 THR 116 3HG2 THR 116 0.524 6.338 6.635 873 HG22 THR 116 1HG2 THR 116 0.090 4.637 6.740 874 HG23 THR 116 2HG2 THR 116 0.941 5.257 5.304 875 H THR 117 H THR 117 4.956 4.957 7.048 876 HA THR 117 HA THR 117 5.442 3.562 9.530 877 HB THR 117 HB THR 117 6.944 2.240 8.386 878 HG1 THR 117 1HG THR 117 8.823 2.810 9.291 879 HG21 THR 117 3HG2 THR 117 8.620 2.955 6.747 880 HG22 THR 117 1HG2 THR 117 7.976 4.623 6.805 881 HG23 THR 117 2HG2 THR 117 6.988 3.291 6.170 882 H ALA 118 H ALA 118 6.260 4.899 11.031 883 HA ALA 118 HA ALA 118 6.475 7.817 10.418 884 HB1 ALA 118 1HB ALA 118 4.706 7.233 11.998 885 HB2 ALA 118 2HB ALA 118 5.853 6.293 12.980 886 HB3 ALA 118 3HB ALA 118 6.030 8.064 12.845 887 H THR 119 H THR 119 8.249 4.955 11.240 888 HA THR 119 HA THR 119 10.571 6.526 12.186 889 HB THR 119 HB THR 119 9.782 5.589 14.119 890 HG1 THR 119 1HG THR 119 11.532 3.548 13.388 891 HG21 THR 119 3HG2 THR 119 8.089 4.077 13.521 892 HG22 THR 119 1HG2 THR 119 9.277 3.133 14.416 893 HG23 THR 119 2HG2 THR 119 9.196 3.015 12.643 894 H TYR 120 H TYR 120 10.785 6.679 9.906 895 HA TYR 120 HA TYR 120 11.620 4.297 8.412 896 HB2 TYR 120 1HB TYR 120 11.984 6.364 6.719 897 HB3 TYR 120 2HB TYR 120 10.456 5.549 6.966 898 HD1 TYR 120 1HD TYR 120 8.638 6.542 8.187 899 HD2 TYR 120 2HD TYR 120 12.319 8.705 7.596 900 HE1 TYR 120 1HE TYR 120 7.444 8.660 8.648 901 HE2 TYR 120 2HE TYR 120 11.140 10.829 8.141 902 HH TYR 120 HH TYR 120 7.643 10.898 9.004 903 H ALA 121 H ALA 121 13.115 6.594 10.444 904 HA ALA 121 HA ALA 121 15.223 7.076 10.986 905 HB1 ALA 121 1HB ALA 121 16.248 5.080 8.936 906 HB2 ALA 121 2HB ALA 121 17.107 5.730 10.304 907 HB3 ALA 121 3HB ALA 121 15.753 4.652 10.596 908 HA PRO 122 HA PRO 122 15.866 10.365 8.406 909 HB2 PRO 122 1HB PRO 122 18.521 11.144 8.594 910 HB3 PRO 122 2HB PRO 122 17.317 11.298 9.904 911 HG2 PRO 122 1HG PRO 122 19.332 9.080 9.513 912 HG3 PRO 122 2HG PRO 122 18.979 10.007 11.010 913 HD2 PRO 122 1HD PRO 122 17.887 7.598 10.571 914 HD3 PRO 122 2HD PRO 122 16.903 8.891 11.312 915 H GLU 123 H GLU 123 18.081 7.742 7.630 916 HA GLU 123 HA GLU 123 19.164 8.778 5.244 917 HB2 GLU 123 1HB GLU 123 19.440 6.413 4.592 918 HB3 GLU 123 2HB GLU 123 20.156 6.844 6.132 919 HG2 GLU 123 1HG GLU 123 17.372 5.777 6.347 920 HG3 GLU 123 2HG GLU 123 18.546 4.645 5.672 921 H TRP 124 H TRP 124 15.970 7.100 5.589 922 HA TRP 124 HA TRP 124 15.531 6.921 2.903 923 HB2 TRP 124 1HB TRP 124 13.722 6.806 5.286 924 HB3 TRP 124 2HB TRP 124 13.263 6.343 3.648 925 HD1 TRP 124 HD TRP 124 16.726 5.198 3.897 926 HE1 TRP 124 1HE TRP 124 16.889 2.730 4.402 927 HE3 TRP 124 3HE TRP 124 11.910 4.367 5.422 928 HZ2 TRP 124 2HZ TRP 124 15.208 0.632 5.334 929 HZ3 TRP 124 3HZ TRP 124 11.233 2.109 6.158 930 HH2 TRP 124 HH TRP 124 12.889 0.225 6.135 931 H LEU 125 H LEU 125 15.580 9.741 4.804 932 HA LEU 125 HA LEU 125 13.623 11.233 3.213 933 HB2 LEU 125 1HB LEU 125 15.616 12.118 5.326 934 HB3 LEU 125 2HB LEU 125 14.473 13.183 4.542 935 HG LEU 125 HG LEU 125 13.527 10.713 6.058 936 HD11 LEU 125 1HD1 LEU 125 13.143 12.119 7.998 937 HD12 LEU 125 2HD1 LEU 125 13.839 13.524 7.158 938 HD13 LEU 125 3HD1 LEU 125 14.861 12.138 7.559 939 HD21 LEU 125 3HD2 LEU 125 11.407 12.019 6.181 940 HD22 LEU 125 1HD2 LEU 125 11.879 11.694 4.514 941 HD23 LEU 125 2HD2 LEU 125 12.155 13.308 5.217 942 H PHE 126 H PHE 126 16.634 10.026 2.413 943 HA PHE 126 HA PHE 126 17.243 12.368 0.646 944 HB2 PHE 126 1HB PHE 126 18.849 9.910 1.393 945 HB3 PHE 126 2HB PHE 126 19.397 11.146 0.306 946 HD1 PHE 126 2HD PHE 126 18.866 13.727 1.528 947 HD2 PHE 126 1HD PHE 126 19.657 10.006 3.542 948 HE1 PHE 126 2HE PHE 126 19.257 14.952 3.643 949 HE2 PHE 126 1HE PHE 126 19.946 11.200 5.668 950 HZ PHE 126 HZ PHE 126 19.779 13.692 5.740 951 H LEU 127 H LEU 127 15.441 9.572 0.514 952 HA LEU 127 HA LEU 127 16.327 8.469 -1.964 953 HB2 LEU 127 1HB LEU 127 13.933 8.267 -0.140 954 HB3 LEU 127 2HB LEU 127 13.963 7.357 -1.635 955 HG LEU 127 HG LEU 127 14.679 6.228 0.660 956 HD11 LEU 127 1HD1 LEU 127 16.267 4.785 -0.595 957 HD12 LEU 127 2HD1 LEU 127 16.626 6.098 -1.735 958 HD13 LEU 127 3HD1 LEU 127 15.030 5.293 -1.768 959 HD21 LEU 127 3HD2 LEU 127 17.340 7.387 0.006 960 HD22 LEU 127 1HD2 LEU 127 16.855 6.203 1.260 961 HD23 LEU 127 2HD2 LEU 127 16.212 7.873 1.288 962 HA PRO 128 HA PRO 128 13.792 11.138 -4.609 963 HB2 PRO 128 1HB PRO 128 13.342 9.496 -6.754 964 HB3 PRO 128 2HB PRO 128 14.915 10.293 -6.442 965 HG2 PRO 128 1HG PRO 128 14.096 7.460 -5.754 966 HG3 PRO 128 2HG PRO 128 15.611 8.025 -6.533 967 HD2 PRO 128 1HD PRO 128 15.433 7.481 -3.853 968 HD3 PRO 128 2HD PRO 128 16.490 8.781 -4.484 969 H TYR 129 H TYR 129 11.568 11.380 -4.947 970 HA TYR 129 HA TYR 129 9.833 9.369 -3.659 971 HB2 TYR 129 1HB TYR 129 9.197 12.107 -4.776 972 HB3 TYR 129 2HB TYR 129 8.075 11.074 -3.891 973 HD1 TYR 129 2HD TYR 129 10.306 10.206 -1.800 974 HD2 TYR 129 1HD TYR 129 8.886 14.007 -3.251 975 HE1 TYR 129 2HE TYR 129 10.954 11.243 0.323 976 HE2 TYR 129 1HE TYR 129 9.480 15.058 -1.110 977 HH TYR 129 HH TYR 129 11.474 13.327 1.192 978 H HIS 130 H HIS 130 7.961 8.583 -4.711 979 HA HIS 130 HA HIS 130 8.051 8.620 -7.685 980 HB2 HIS 130 1HB HIS 130 7.563 6.247 -5.827 981 HB3 HIS 130 2HB HIS 130 7.342 6.206 -7.558 982 HD1 HIS 130 1HD HIS 130 9.465 5.540 -8.970 983 HD2 HIS 130 2HD HIS 130 10.317 6.824 -5.029 984 HE1 HIS 130 1HE HIS 130 11.970 5.405 -8.693 985 H GLU 131 H GLU 131 5.900 8.005 -8.640 986 HA GLU 131 HA GLU 131 3.631 9.156 -7.038 987 HB2 GLU 131 1HB GLU 131 4.592 10.130 -9.292 988 HB3 GLU 131 2HB GLU 131 3.792 8.769 -10.018 989 HG2 GLU 131 1HG GLU 131 1.685 9.874 -8.519 990 HG3 GLU 131 2HG GLU 131 2.666 11.273 -8.833 991 H SER 132 H SER 132 4.769 6.256 -8.537 992 HA SER 132 HA SER 132 2.534 4.880 -7.374 993 HB2 SER 132 1HB SER 132 1.838 3.685 -9.504 994 HB3 SER 132 2HB SER 132 1.323 5.365 -9.356 995 HG SER 132 HG SER 132 2.708 5.999 -10.877 996 H TYR 133 H TYR 133 2.922 2.639 -7.130 997 HA TYR 133 HA TYR 133 5.694 1.773 -7.709 998 HB2 TYR 133 1HB TYR 133 5.270 1.620 -5.389 999 HB3 TYR 133 2HB TYR 133 3.670 0.945 -5.606 1000 HD1 TYR 133 1HD TYR 133 7.091 0.091 -6.964 1001 HD2 TYR 133 2HD TYR 133 3.613 -1.310 -4.843 1002 HE1 TYR 133 1HE TYR 133 8.084 -2.174 -6.849 1003 HE2 TYR 133 2HE TYR 133 4.630 -3.561 -4.685 1004 HH TYR 133 HH TYR 133 6.684 -4.767 -4.910 1005 H ASP 134 H ASP 134 5.995 0.125 -9.085 1006 HA ASP 134 HA ASP 134 3.821 -1.587 -10.028 1007 HB2 ASP 134 1HB ASP 134 5.500 0.259 -11.786 1008 HB3 ASP 134 2HB ASP 134 4.868 -1.259 -12.390 1009 H SER 135 H SER 135 4.807 -3.566 -10.989 1010 HA SER 135 HA SER 135 7.317 -4.338 -9.758 1011 HB2 SER 135 1HB SER 135 6.570 -6.437 -11.202 1012 HB3 SER 135 2HB SER 135 5.846 -6.060 -9.640 1013 HG SER 135 HG SER 135 4.644 -6.396 -11.885 1014 H GLU 136 H GLU 136 6.231 -3.112 -12.862 1015 HA GLU 136 HA GLU 136 8.859 -3.625 -14.072 1016 HB2 GLU 136 1HB GLU 136 6.166 -3.832 -15.483 1017 HB3 GLU 136 2HB GLU 136 7.758 -3.794 -16.228 1018 HG2 GLU 136 1HG GLU 136 8.204 -5.859 -14.549 1019 HG3 GLU 136 2HG GLU 136 6.458 -6.028 -14.688 1020 H GLY 137 H GLY 137 9.396 -1.760 -13.297 1021 HA2 GLY 137 2HA GLY 137 8.558 0.440 -15.080 1022 HA3 GLY 137 1HA GLY 137 8.858 0.868 -13.383 1023 HA PRO 138 HA PRO 138 12.423 0.267 -16.532 1024 HB2 PRO 138 1HB PRO 138 13.271 2.878 -17.041 1025 HB3 PRO 138 2HB PRO 138 12.015 1.995 -17.952 1026 HG2 PRO 138 1HG PRO 138 11.620 3.941 -15.673 1027 HG3 PRO 138 2HG PRO 138 10.769 3.885 -17.253 1028 HD2 PRO 138 1HD PRO 138 9.643 2.804 -15.064 1029 HD3 PRO 138 2HD PRO 138 9.559 1.931 -16.624 1030 H HIS 139 H HIS 139 12.395 2.181 -13.640 1031 HA HIS 139 HA HIS 139 15.176 2.560 -13.161 1032 HB2 HIS 139 1HB HIS 139 12.972 2.042 -11.174 1033 HB3 HIS 139 2HB HIS 139 14.492 2.883 -10.857 1034 HD1 HIS 139 1HD HIS 139 14.420 5.505 -11.158 1035 HD2 HIS 139 2HD HIS 139 10.982 3.367 -12.352 1036 HE1 HIS 139 1HE HIS 139 12.552 7.196 -11.377 1037 H GLY 140 H GLY 140 13.298 -0.454 -13.027 1038 HA2 GLY 140 2HA GLY 140 14.036 -2.561 -12.609 1039 HA3 GLY 140 1HA GLY 140 15.651 -1.935 -12.294 1040 H LEU 141 H LEU 141 14.925 -0.231 -10.045 1041 HA LEU 141 HA LEU 141 14.912 -1.992 -7.902 1042 HB2 LEU 141 1HB LEU 141 14.215 0.119 -6.514 1043 HB3 LEU 141 2HB LEU 141 15.788 -0.052 -7.238 1044 HG LEU 141 HG LEU 141 15.203 1.474 -9.058 1045 HD11 LEU 141 1HD1 LEU 141 13.101 2.846 -8.841 1046 HD12 LEU 141 2HD1 LEU 141 12.562 1.708 -7.592 1047 HD13 LEU 141 3HD1 LEU 141 12.812 1.123 -9.227 1048 HD21 LEU 141 3HD2 LEU 141 14.606 2.579 -6.282 1049 HD22 LEU 141 1HD2 LEU 141 15.091 3.520 -7.711 1050 HD23 LEU 141 2HD2 LEU 141 16.219 2.354 -7.007 1051 H ARG 142 H ARG 142 13.267 -3.519 -8.177 1052 HA ARG 142 HA ARG 142 10.647 -2.827 -7.072 1053 HB2 ARG 142 1HB ARG 142 11.189 -4.434 -9.624 1054 HB3 ARG 142 2HB ARG 142 9.674 -4.528 -8.710 1055 HG2 ARG 142 1HG ARG 142 9.051 -2.825 -10.052 1056 HG3 ARG 142 2HG ARG 142 9.890 -1.911 -8.776 1057 HD2 ARG 142 1HD ARG 142 11.880 -2.385 -10.491 1058 HD3 ARG 142 2HD ARG 142 10.550 -2.215 -11.644 1059 HE ARG 142 HE ARG 142 11.934 -0.202 -10.226 1060 HH11 ARG 142 1HH1 ARG 142 8.433 -0.849 -10.747 1061 HH12 ARG 142 2HH1 ARG 142 8.037 0.822 -10.811 1062 HH21 ARG 142 1HH2 ARG 142 11.196 1.998 -9.903 1063 HH22 ARG 142 2HH2 ARG 142 9.581 2.420 -10.320 1064 H TYR 143 H TYR 143 9.540 -4.666 -6.117 1065 HA TYR 143 HA TYR 143 11.313 -5.683 -4.240 1066 HB2 TYR 143 1HB TYR 143 8.946 -5.195 -3.834 1067 HB3 TYR 143 2HB TYR 143 8.469 -6.536 -4.886 1068 HD1 TYR 143 2HD TYR 143 10.704 -5.927 -1.892 1069 HD2 TYR 143 1HD TYR 143 7.766 -8.437 -3.760 1070 HE1 TYR 143 2HE TYR 143 10.754 -7.406 0.063 1071 HE2 TYR 143 1HE TYR 143 7.881 -10.036 -1.896 1072 HH TYR 143 HH TYR 143 8.953 -10.574 0.154 1073 H ASN 144 H ASN 144 12.419 -7.507 -3.992 1074 HA ASN 144 HA ASN 144 12.250 -9.572 -6.151 1075 HB2 ASN 144 1HB ASN 144 14.622 -8.205 -4.828 1076 HB3 ASN 144 2HB ASN 144 14.783 -9.765 -5.643 1077 HD21 ASN 144 1HD2 ASN 144 15.847 -6.906 -6.393 1078 HD22 ASN 144 2HD2 ASN 144 15.400 -6.929 -8.099 1079 HA PRO 145 HA PRO 145 11.665 -11.898 -2.238 1080 HB2 PRO 145 1HB PRO 145 9.444 -13.325 -2.953 1081 HB3 PRO 145 2HB PRO 145 9.374 -11.656 -2.336 1082 HG2 PRO 145 1HG PRO 145 9.344 -12.555 -5.253 1083 HG3 PRO 145 2HG PRO 145 8.215 -11.422 -4.432 1084 HD2 PRO 145 1HD PRO 145 10.364 -10.631 -5.917 1085 HD3 PRO 145 2HD PRO 145 9.837 -9.719 -4.479 1086 H ARG 146 H ARG 146 11.520 -12.910 -5.669 1087 HA ARG 146 HA ARG 146 12.828 -15.471 -4.977 1088 HB2 ARG 146 1HB ARG 146 10.130 -15.226 -5.536 1089 HB3 ARG 146 2HB ARG 146 10.759 -15.297 -7.176 1090 HG2 ARG 146 1HG ARG 146 10.640 -17.545 -6.868 1091 HG3 ARG 146 2HG ARG 146 12.205 -17.329 -6.075 1092 HD2 ARG 146 1HD ARG 146 9.416 -17.377 -4.821 1093 HD3 ARG 146 2HD ARG 146 10.632 -18.657 -4.651 1094 HE ARG 146 HE ARG 146 11.758 -16.295 -3.592 1095 HH11 ARG 146 1HH1 ARG 146 8.882 -18.283 -2.812 1096 HH12 ARG 146 2HH1 ARG 146 8.699 -17.563 -1.259 1097 HH21 ARG 146 1HH2 ARG 146 11.465 -15.365 -1.645 1098 HH22 ARG 146 2HH2 ARG 146 10.089 -15.683 -0.651 1099 H GLU 147 H GLU 147 13.496 -12.805 -6.464 1100 HA GLU 147 HA GLU 147 13.148 -13.556 -9.224 1101 HB2 GLU 147 1HB GLU 147 14.170 -11.091 -7.761 1102 HB3 GLU 147 2HB GLU 147 13.931 -11.142 -9.517 1103 HG2 GLU 147 1HG GLU 147 11.683 -11.880 -7.586 1104 HG3 GLU 147 2HG GLU 147 11.941 -10.239 -8.122 1105 H ASN 148 H ASN 148 15.814 -13.459 -7.057 1106 HA ASN 148 HA ASN 148 17.596 -14.658 -9.080 1107 HB2 ASN 148 1HB ASN 148 19.495 -13.717 -7.779 1108 HB3 ASN 148 2HB ASN 148 18.548 -12.463 -8.576 1109 HD21 ASN 148 1HD2 ASN 148 16.979 -11.244 -7.214 1110 HD22 ASN 148 2HD2 ASN 148 17.160 -11.277 -5.443 1111 H ARG 149 H ARG 149 15.406 -15.745 -7.274 1112 HA ARG 149 HA ARG 149 14.806 -16.258 -5.301 1113 HB2 ARG 149 1HB ARG 149 17.509 -17.554 -5.059 1114 HB3 ARG 149 2HB ARG 149 16.280 -17.695 -3.830 1115 HG2 ARG 149 1HG ARG 149 15.966 -18.599 -6.725 1116 HG3 ARG 149 2HG ARG 149 16.367 -19.653 -5.369 1117 HD2 ARG 149 1HD ARG 149 14.114 -18.044 -4.634 1118 HD3 ARG 149 2HD ARG 149 13.779 -18.756 -6.226 1119 HE ARG 149 HE ARG 149 14.139 -20.046 -3.617 1120 HH11 ARG 149 1HH1 ARG 149 13.983 -20.609 -7.158 1121 HH12 ARG 149 2HH1 ARG 149 13.569 -22.278 -6.996 1122 HH21 ARG 149 1HH2 ARG 149 13.454 -22.262 -3.458 1123 HH22 ARG 149 2HH2 ARG 149 12.925 -23.125 -4.871 Start of MODEL 20 1 H1 MET 1 H MET 1 -15.960 -3.449 4.870 2 HA MET 1 HA MET 1 -17.007 -3.236 7.033 3 HB2 MET 1 1HB MET 1 -14.948 -5.326 7.799 4 HB3 MET 1 2HB MET 1 -15.640 -4.208 8.992 5 HG2 MET 1 1HG MET 1 -17.908 -4.893 8.362 6 HG3 MET 1 2HG MET 1 -17.248 -6.093 7.235 7 HE1 MET 1 3HE MET 1 -18.804 -7.751 10.655 8 HE2 MET 1 1HE MET 1 -19.231 -6.168 9.979 9 HE3 MET 1 2HE MET 1 -19.113 -7.590 8.910 10 H ALA 2 H ALA 2 -13.411 -3.622 7.503 11 HA ALA 2 HA ALA 2 -13.042 -0.736 7.641 12 HB1 ALA 2 1HB ALA 2 -11.160 -3.099 7.199 13 HB2 ALA 2 2HB ALA 2 -10.625 -1.414 7.302 14 HB3 ALA 2 3HB ALA 2 -11.399 -2.190 8.703 15 H HIS 3 H HIS 3 -12.069 0.514 5.936 16 HA HIS 3 HA HIS 3 -12.079 -0.686 3.218 17 HB2 HIS 3 1HB HIS 3 -12.539 2.201 4.052 18 HB3 HIS 3 2HB HIS 3 -12.189 1.682 2.406 19 HD1 HIS 3 1HD HIS 3 -15.060 2.585 4.366 20 HD2 HIS 3 2HD HIS 3 -14.107 -0.456 1.586 21 HE1 HIS 3 1HE HIS 3 -17.265 1.704 3.463 22 H ILE 4 H ILE 4 -10.079 -0.661 2.274 23 HA ILE 4 HA ILE 4 -7.915 0.895 3.563 24 HB ILE 4 HB ILE 4 -6.375 -0.910 3.284 25 HG12 ILE 4 1HG1 ILE 4 -8.621 -2.833 2.610 26 HG13 ILE 4 2HG1 ILE 4 -7.676 -2.045 1.348 27 HG21 ILE 4 1HG2 ILE 4 -7.624 -0.650 5.404 28 HG22 ILE 4 2HG2 ILE 4 -8.794 -1.870 4.884 29 HG23 ILE 4 3HG2 ILE 4 -7.089 -2.303 5.141 30 HD11 ILE 4 3HD1 ILE 4 -6.548 -3.866 3.499 31 HD12 ILE 4 1HD1 ILE 4 -6.708 -4.198 1.761 32 HD13 ILE 4 2HD1 ILE 4 -5.587 -2.939 2.319 33 H PHE 5 H PHE 5 -6.020 1.001 2.029 34 HA PHE 5 HA PHE 5 -6.898 1.176 -0.796 35 HB2 PHE 5 1HB PHE 5 -7.275 3.335 0.060 36 HB3 PHE 5 2HB PHE 5 -5.826 3.333 1.043 37 HD1 PHE 5 1HD PHE 5 -7.100 3.444 -2.480 38 HD2 PHE 5 2HD PHE 5 -3.785 4.229 0.166 39 HE1 PHE 5 1HE PHE 5 -5.988 4.769 -4.236 40 HE2 PHE 5 2HE PHE 5 -2.647 5.474 -1.632 41 HZ PHE 5 HZ PHE 5 -3.705 5.752 -3.819 42 H VAL 6 H VAL 6 -5.263 0.809 -2.216 43 HA VAL 6 HA VAL 6 -2.913 -0.574 -1.079 44 HB VAL 6 HB VAL 6 -2.783 -1.538 -3.455 45 HG11 VAL 6 1HG1 VAL 6 -4.452 -3.226 -2.903 46 HG12 VAL 6 2HG1 VAL 6 -3.476 -2.801 -1.478 47 HG13 VAL 6 3HG1 VAL 6 -5.118 -2.173 -1.624 48 HG21 VAL 6 3HG2 VAL 6 -4.686 -1.632 -4.787 49 HG22 VAL 6 1HG2 VAL 6 -5.684 -0.804 -3.596 50 HG23 VAL 6 2HG2 VAL 6 -4.380 0.092 -4.444 51 H TYR 7 H TYR 7 -0.852 -0.403 -2.503 52 HA TYR 7 HA TYR 7 -0.555 2.304 -3.740 53 HB2 TYR 7 1HB TYR 7 1.616 2.480 -2.949 54 HB3 TYR 7 2HB TYR 7 0.715 1.946 -1.563 55 HD1 TYR 7 2HD TYR 7 3.214 1.073 -4.084 56 HD2 TYR 7 1HD TYR 7 1.166 -0.363 -0.579 57 HE1 TYR 7 2HE TYR 7 4.944 -0.714 -3.767 58 HE2 TYR 7 1HE TYR 7 2.918 -2.068 -0.240 59 HH TYR 7 HH TYR 7 5.438 -2.321 -0.900 60 H GLY 8 H GLY 8 -0.030 -1.190 -4.074 61 HA2 GLY 8 2HA GLY 8 0.836 -1.105 -6.843 62 HA3 GLY 8 1HA GLY 8 2.189 -0.988 -5.739 63 H THR 9 H THR 9 1.796 -2.697 -3.718 64 HA THR 9 HA THR 9 2.414 -5.231 -4.579 65 HB THR 9 HB THR 9 1.360 -5.792 -2.204 66 HG1 THR 9 1HG THR 9 1.379 -3.917 -0.915 67 HG21 THR 9 3HG2 THR 9 3.656 -5.977 -2.244 68 HG22 THR 9 1HG2 THR 9 3.530 -4.544 -1.256 69 HG23 THR 9 2HG2 THR 9 3.895 -4.385 -3.000 70 H LEU 10 H LEU 10 -0.774 -3.960 -3.737 71 HA LEU 10 HA LEU 10 -2.083 -6.443 -4.743 72 HB2 LEU 10 1HB LEU 10 -2.568 -4.645 -2.352 73 HB3 LEU 10 2HB LEU 10 -3.701 -5.894 -2.846 74 HG LEU 10 HG LEU 10 -0.890 -6.859 -2.569 75 HD11 LEU 10 1HD1 LEU 10 -0.781 -6.889 -0.189 76 HD12 LEU 10 2HD1 LEU 10 -2.358 -6.124 -0.041 77 HD13 LEU 10 3HD1 LEU 10 -0.980 -5.207 -0.700 78 HD21 LEU 10 3HD2 LEU 10 -2.810 -8.397 -2.889 79 HD22 LEU 10 1HD2 LEU 10 -3.436 -7.906 -1.310 80 HD23 LEU 10 2HD2 LEU 10 -1.841 -8.669 -1.426 81 H LYS 11 H LYS 11 -1.409 -3.934 -6.237 82 HA LYS 11 HA LYS 11 -4.200 -3.020 -6.871 83 HB2 LYS 11 1HB LYS 11 -2.632 -1.334 -5.779 84 HB3 LYS 11 2HB LYS 11 -1.692 -1.363 -7.286 85 HG2 LYS 11 1HG LYS 11 -4.343 -1.027 -8.187 86 HG3 LYS 11 2HG LYS 11 -4.340 -0.149 -6.700 87 HD2 LYS 11 1HD LYS 11 -3.897 1.393 -8.408 88 HD3 LYS 11 2HD LYS 11 -2.365 1.168 -7.549 89 HE2 LYS 11 1HE LYS 11 -1.579 -0.325 -9.352 90 HE3 LYS 11 2HE LYS 11 -3.141 -0.183 -10.181 91 HZ1 LYS 11 3HZ LYS 11 -1.214 1.321 -10.921 92 HZ2 LYS 11 1HZ LYS 11 -1.502 2.203 -9.595 93 HZ3 LYS 11 2HZ LYS 11 -2.685 2.014 -10.742 94 H ARG 12 H ARG 12 -1.041 -3.950 -8.363 95 HA ARG 12 HA ARG 12 -2.601 -4.180 -10.914 96 HB2 ARG 12 1HB ARG 12 -0.562 -3.569 -12.075 97 HB3 ARG 12 2HB ARG 12 -1.255 -2.310 -11.057 98 HG2 ARG 12 1HG ARG 12 0.461 -2.409 -9.432 99 HG3 ARG 12 2HG ARG 12 1.153 -3.884 -10.090 100 HD2 ARG 12 1HD ARG 12 1.026 -1.258 -11.590 101 HD3 ARG 12 2HD ARG 12 2.429 -1.831 -10.699 102 HE ARG 12 HE ARG 12 2.661 -3.700 -12.229 103 HH11 ARG 12 1HH1 ARG 12 0.885 -0.905 -13.536 104 HH12 ARG 12 2HH1 ARG 12 0.606 -1.633 -15.058 105 HH21 ARG 12 1HH2 ARG 12 2.591 -4.486 -14.221 106 HH22 ARG 12 2HH2 ARG 12 1.756 -3.702 -15.540 107 H GLY 13 H GLY 13 0.736 -5.447 -10.429 108 HA2 GLY 13 2HA GLY 13 -0.198 -8.149 -10.007 109 HA3 GLY 13 1HA GLY 13 0.428 -7.767 -11.643 110 H GLN 14 H GLN 14 1.074 -6.897 -8.289 111 HA GLN 14 HA GLN 14 4.000 -7.111 -8.544 112 HB2 GLN 14 1HB GLN 14 2.128 -5.734 -6.811 113 HB3 GLN 14 2HB GLN 14 3.040 -6.880 -5.847 114 HG2 GLN 14 1HG GLN 14 4.011 -4.600 -5.875 115 HG3 GLN 14 2HG GLN 14 5.136 -5.815 -6.420 116 HE21 GLN 14 1HE2 GLN 14 2.536 -3.817 -8.053 117 HE22 GLN 14 2HE2 GLN 14 3.708 -2.996 -9.027 118 HA PRO 15 HA PRO 15 3.887 -11.326 -7.574 119 HB2 PRO 15 1HB PRO 15 5.840 -11.709 -5.592 120 HB3 PRO 15 2HB PRO 15 6.106 -11.375 -7.345 121 HG2 PRO 15 1HG PRO 15 6.150 -9.547 -4.998 122 HG3 PRO 15 2HG PRO 15 7.311 -9.589 -6.369 123 HD2 PRO 15 1HD PRO 15 5.257 -7.823 -6.127 124 HD3 PRO 15 2HD PRO 15 5.849 -8.358 -7.726 125 H ASN 16 H ASN 16 2.466 -9.415 -5.436 126 HA ASN 16 HA ASN 16 2.154 -11.370 -3.208 127 HB2 ASN 16 1HB ASN 16 1.934 -8.354 -2.972 128 HB3 ASN 16 2HB ASN 16 2.202 -9.540 -1.702 129 HD21 ASN 16 1HD2 ASN 16 3.756 -7.259 -3.547 130 HD22 ASN 16 2HD2 ASN 16 5.392 -7.879 -3.553 131 H HIS 17 H HIS 17 0.581 -9.884 -5.851 132 HA HIS 17 HA HIS 17 -1.790 -8.935 -4.673 133 HB2 HIS 17 1HB HIS 17 -0.750 -8.737 -7.082 134 HB3 HIS 17 2HB HIS 17 -1.542 -10.262 -7.416 135 HD1 HIS 17 1HD HIS 17 -2.053 -6.851 -8.092 136 HD2 HIS 17 2HD HIS 17 -4.456 -10.051 -6.865 137 HE1 HIS 17 1HE HIS 17 -4.417 -6.217 -8.680 138 H LYS 18 H LYS 18 -1.103 -12.220 -5.909 139 HA LYS 18 HA LYS 18 -3.599 -13.436 -5.529 140 HB2 LYS 18 1HB LYS 18 -2.407 -15.520 -5.531 141 HB3 LYS 18 2HB LYS 18 -1.679 -14.406 -6.683 142 HG2 LYS 18 1HG LYS 18 0.218 -15.255 -5.798 143 HG3 LYS 18 2HG LYS 18 0.001 -13.857 -4.754 144 HD2 LYS 18 1HD LYS 18 -1.246 -15.526 -3.150 145 HD3 LYS 18 2HD LYS 18 -0.525 -16.800 -4.150 146 HE2 LYS 18 1HE LYS 18 1.724 -15.793 -3.721 147 HE3 LYS 18 2HE LYS 18 0.929 -14.483 -2.857 148 HZ1 LYS 18 3HZ LYS 18 1.707 -15.915 -1.264 149 HZ2 LYS 18 1HZ LYS 18 1.269 -17.282 -2.018 150 HZ3 LYS 18 2HZ LYS 18 0.093 -16.353 -1.320 151 H VAL 19 H VAL 19 -1.525 -12.262 -2.851 152 HA VAL 19 HA VAL 19 -2.405 -14.247 -0.990 153 HB VAL 19 HB VAL 19 -1.714 -12.663 0.720 154 HG11 VAL 19 1HG1 VAL 19 0.315 -12.769 -1.549 155 HG12 VAL 19 2HG1 VAL 19 0.661 -12.542 0.170 156 HG13 VAL 19 3HG1 VAL 19 -0.008 -14.076 -0.382 157 HG21 VAL 19 3HG2 VAL 19 -1.966 -10.538 0.507 158 HG22 VAL 19 1HG2 VAL 19 -0.497 -10.522 -0.451 159 HG23 VAL 19 2HG2 VAL 19 -2.085 -10.666 -1.263 160 H MET 20 H MET 20 -4.340 -11.703 -2.547 161 HA MET 20 HA MET 20 -6.130 -11.684 -0.199 162 HB2 MET 20 1HB MET 20 -7.128 -9.758 -1.067 163 HB3 MET 20 2HB MET 20 -5.399 -9.456 -1.121 164 HG2 MET 20 1HG MET 20 -5.290 -9.323 -3.366 165 HG3 MET 20 2HG MET 20 -6.567 -10.482 -3.641 166 HE1 MET 20 3HE MET 20 -7.185 -6.023 -2.589 167 HE2 MET 20 1HE MET 20 -6.872 -7.209 -1.299 168 HE3 MET 20 2HE MET 20 -5.653 -6.921 -2.553 169 H LEU 21 H LEU 21 -5.545 -13.350 -3.011 170 HA LEU 21 HA LEU 21 -8.234 -13.542 -4.086 171 HB2 LEU 21 1HB LEU 21 -5.574 -14.931 -4.766 172 HB3 LEU 21 2HB LEU 21 -7.096 -15.220 -5.547 173 HG LEU 21 HG LEU 21 -7.306 -12.973 -6.229 174 HD11 LEU 21 1HD1 LEU 21 -4.806 -11.926 -6.319 175 HD12 LEU 21 2HD1 LEU 21 -5.198 -12.307 -4.644 176 HD13 LEU 21 3HD1 LEU 21 -6.304 -11.300 -5.596 177 HD21 LEU 21 3HD2 LEU 21 -6.396 -14.673 -7.788 178 HD22 LEU 21 1HD2 LEU 21 -4.751 -14.241 -7.236 179 HD23 LEU 21 2HD2 LEU 21 -5.737 -13.056 -8.108 180 H ASP 22 H ASP 22 -6.069 -15.232 -1.869 181 HA ASP 22 HA ASP 22 -7.807 -17.573 -1.468 182 HB2 ASP 22 1HB ASP 22 -5.521 -16.349 0.089 183 HB3 ASP 22 2HB ASP 22 -6.448 -17.703 0.702 184 H HIS 23 H HIS 23 -9.821 -16.693 -1.104 185 HA HIS 23 HA HIS 23 -10.483 -14.665 0.783 186 HB2 HIS 23 1HB HIS 23 -12.047 -15.473 -0.879 187 HB3 HIS 23 2HB HIS 23 -12.035 -17.093 -0.166 188 HD1 HIS 23 1HD HIS 23 -13.934 -17.519 1.513 189 HD2 HIS 23 2HD HIS 23 -12.842 -13.478 1.097 190 HE1 HIS 23 1HE HIS 23 -15.534 -16.191 3.000 191 H SER 24 H SER 24 -9.481 -17.927 1.174 192 HA SER 24 HA SER 24 -10.031 -18.636 3.832 193 HB2 SER 24 1HB SER 24 -7.407 -19.024 2.578 194 HB3 SER 24 2HB SER 24 -8.284 -20.121 3.640 195 HG SER 24 HG SER 24 -9.779 -20.442 1.955 196 H HIS 25 H HIS 25 -7.790 -16.192 2.532 197 HA HIS 25 HA HIS 25 -6.611 -15.698 5.184 198 HB2 HIS 25 1HB HIS 25 -5.953 -14.634 2.412 199 HB3 HIS 25 2HB HIS 25 -5.099 -14.217 3.876 200 HD1 HIS 25 1HD HIS 25 -3.719 -15.624 1.387 201 HD2 HIS 25 2HD HIS 25 -5.249 -17.578 4.781 202 HE1 HIS 25 1HE HIS 25 -2.563 -17.909 1.500 203 H GLY 26 H GLY 26 -9.454 -14.849 3.878 204 HA2 GLY 26 2HA GLY 26 -10.686 -13.244 5.239 205 HA3 GLY 26 1HA GLY 26 -9.334 -12.121 5.069 206 H LEU 27 H LEU 27 -11.484 -11.000 4.477 207 HA LEU 27 HA LEU 27 -12.393 -11.463 1.720 208 HB2 LEU 27 1HB LEU 27 -13.864 -11.126 3.788 209 HB3 LEU 27 2HB LEU 27 -13.287 -9.461 3.795 210 HG LEU 27 HG LEU 27 -15.570 -9.892 2.871 211 HD11 LEU 27 1HD1 LEU 27 -15.509 -8.239 1.180 212 HD12 LEU 27 2HD1 LEU 27 -13.820 -8.563 0.796 213 HD13 LEU 27 3HD1 LEU 27 -14.247 -7.795 2.343 214 HD21 LEU 27 3HD2 LEU 27 -15.846 -10.752 0.646 215 HD22 LEU 27 1HD2 LEU 27 -14.923 -11.939 1.613 216 HD23 LEU 27 2HD2 LEU 27 -14.086 -10.917 0.432 217 H ALA 28 H ALA 28 -11.773 -10.195 0.066 218 HA ALA 28 HA ALA 28 -11.061 -7.371 0.550 219 HB1 ALA 28 1HB ALA 28 -9.326 -9.258 -1.074 220 HB2 ALA 28 2HB ALA 28 -9.153 -7.486 -1.009 221 HB3 ALA 28 3HB ALA 28 -8.874 -8.455 0.452 222 H ALA 29 H ALA 29 -12.592 -6.332 -0.502 223 HA ALA 29 HA ALA 29 -13.686 -7.444 -3.056 224 HB1 ALA 29 1HB ALA 29 -15.806 -6.278 -2.275 225 HB2 ALA 29 2HB ALA 29 -15.311 -7.691 -1.321 226 HB3 ALA 29 3HB ALA 29 -15.023 -6.053 -0.705 227 H PHE 30 H PHE 30 -13.659 -6.128 -4.755 228 HA PHE 30 HA PHE 30 -12.136 -3.642 -4.689 229 HB2 PHE 30 1HB PHE 30 -11.872 -5.107 -6.586 230 HB3 PHE 30 2HB PHE 30 -13.605 -5.203 -6.841 231 HD1 PHE 30 1HD PHE 30 -11.249 -2.226 -6.455 232 HD2 PHE 30 2HD PHE 30 -14.159 -4.279 -8.900 233 HE1 PHE 30 1HE PHE 30 -11.085 -0.462 -8.202 234 HE2 PHE 30 2HE PHE 30 -13.956 -2.515 -10.618 235 HZ PHE 30 HZ PHE 30 -12.442 -0.596 -10.260 236 H ARG 31 H ARG 31 -13.061 -1.811 -3.930 237 HA ARG 31 HA ARG 31 -15.811 -1.129 -4.882 238 HB2 ARG 31 1HB ARG 31 -14.488 -0.251 -2.279 239 HB3 ARG 31 2HB ARG 31 -16.067 0.258 -2.891 240 HG2 ARG 31 1HG ARG 31 -15.344 -2.553 -2.006 241 HG3 ARG 31 2HG ARG 31 -16.319 -1.363 -1.116 242 HD2 ARG 31 1HD ARG 31 -18.021 -1.373 -2.885 243 HD3 ARG 31 2HD ARG 31 -17.040 -2.519 -3.824 244 HE ARG 31 HE ARG 31 -17.622 -3.514 -1.161 245 HH11 ARG 31 1HH1 ARG 31 -18.880 -3.231 -4.445 246 HH12 ARG 31 2HH1 ARG 31 -19.891 -4.632 -4.349 247 HH21 ARG 31 1HH2 ARG 31 -18.857 -5.179 -0.915 248 HH22 ARG 31 2HH2 ARG 31 -20.084 -5.701 -2.084 249 H GLY 32 H GLY 32 -13.928 -0.758 -6.649 250 HA2 GLY 32 2HA GLY 32 -13.603 1.023 -8.104 251 HA3 GLY 32 1HA GLY 32 -14.266 2.098 -6.882 252 H ARG 33 H ARG 33 -12.598 3.613 -7.439 253 HA ARG 33 HA ARG 33 -9.768 2.617 -7.208 254 HB2 ARG 33 1HB ARG 33 -11.014 4.495 -9.209 255 HB3 ARG 33 2HB ARG 33 -9.284 4.140 -9.116 256 HG2 ARG 33 1HG ARG 33 -9.554 1.887 -9.808 257 HG3 ARG 33 2HG ARG 33 -11.266 1.837 -9.381 258 HD2 ARG 33 1HD ARG 33 -11.261 1.914 -11.702 259 HD3 ARG 33 2HD ARG 33 -11.724 3.505 -11.156 260 HE ARG 33 HE ARG 33 -9.706 4.429 -11.830 261 HH11 ARG 33 1HH1 ARG 33 -10.135 1.099 -12.845 262 HH12 ARG 33 2HH1 ARG 33 -8.891 1.088 -14.032 263 HH21 ARG 33 1HH2 ARG 33 -8.128 4.522 -13.488 264 HH22 ARG 33 2HH2 ARG 33 -7.914 3.169 -14.562 265 H GLY 34 H GLY 34 -8.094 4.464 -6.863 266 HA2 GLY 34 2HA GLY 34 -9.130 6.921 -5.812 267 HA3 GLY 34 1HA GLY 34 -8.529 5.816 -4.537 268 H CYS 35 H CYS 35 -7.381 8.063 -4.376 269 HA CYS 35 HA CYS 35 -4.679 7.430 -5.152 270 HB2 CYS 35 1HB CYS 35 -4.200 9.457 -6.234 271 HB3 CYS 35 2HB CYS 35 -5.600 8.832 -7.058 272 HG CYS 35 HG CYS 35 -5.772 11.458 -6.923 273 H THR 36 H THR 36 -2.993 8.656 -3.726 274 HA THR 36 HA THR 36 -4.277 9.678 -1.288 275 HB THR 36 HB THR 36 -2.132 10.088 -0.491 276 HG1 THR 36 1HG THR 36 -1.264 10.883 -2.466 277 HG21 THR 36 3HG2 THR 36 -2.607 7.691 -0.410 278 HG22 THR 36 1HG2 THR 36 -0.882 7.953 -0.781 279 HG23 THR 36 2HG2 THR 36 -1.952 7.545 -2.103 280 H VAL 37 H VAL 37 -5.519 11.583 -1.735 281 HA VAL 37 HA VAL 37 -4.654 13.667 -3.497 282 HB VAL 37 HB VAL 37 -6.124 15.115 -1.866 283 HG11 VAL 37 1HG1 VAL 37 -6.786 14.515 -4.062 284 HG12 VAL 37 2HG1 VAL 37 -7.083 12.839 -3.598 285 HG13 VAL 37 3HG1 VAL 37 -8.157 14.156 -3.008 286 HG21 VAL 37 3HG2 VAL 37 -7.675 13.947 -0.450 287 HG22 VAL 37 1HG2 VAL 37 -7.086 12.349 -0.956 288 HG23 VAL 37 2HG2 VAL 37 -6.090 13.436 0.050 289 H GLU 38 H GLU 38 -4.282 13.310 0.026 290 HA GLU 38 HA GLU 38 -2.335 15.438 0.317 291 HB2 GLU 38 1HB GLU 38 -3.423 13.144 1.972 292 HB3 GLU 38 2HB GLU 38 -1.827 13.777 2.369 293 HG2 GLU 38 1HG GLU 38 -3.423 14.958 3.720 294 HG3 GLU 38 2HG GLU 38 -2.681 16.026 2.551 295 H SER 39 H SER 39 -0.575 15.278 -0.971 296 HA SER 39 HA SER 39 0.497 13.005 -2.119 297 HB2 SER 39 1HB SER 39 2.202 15.295 -1.156 298 HB3 SER 39 2HB SER 39 2.309 14.424 -2.668 299 HG SER 39 HG SER 39 0.886 15.623 -3.565 300 H PHE 40 H PHE 40 1.814 11.379 -1.297 301 HA PHE 40 HA PHE 40 3.031 11.784 1.477 302 HB2 PHE 40 1HB PHE 40 1.517 9.405 0.344 303 HB3 PHE 40 2HB PHE 40 2.692 9.223 1.638 304 HD1 PHE 40 1HD PHE 40 2.384 10.421 3.843 305 HD2 PHE 40 2HD PHE 40 -0.630 10.170 0.840 306 HE1 PHE 40 1HE PHE 40 0.623 10.745 5.593 307 HE2 PHE 40 2HE PHE 40 -2.380 10.667 2.516 308 HZ PHE 40 HZ PHE 40 -1.798 10.783 4.908 309 HA PRO 41 HA PRO 41 6.827 10.677 -0.368 310 HB2 PRO 41 1HB PRO 41 8.299 9.955 1.842 311 HB3 PRO 41 2HB PRO 41 7.663 11.629 1.591 312 HG2 PRO 41 1HG PRO 41 6.483 9.360 3.191 313 HG3 PRO 41 2HG PRO 41 6.731 11.063 3.712 314 HD2 PRO 41 1HD PRO 41 4.361 10.139 2.841 315 HD3 PRO 41 2HD PRO 41 4.934 11.781 2.486 316 H LEU 42 H LEU 42 6.876 8.895 -1.736 317 HA LEU 42 HA LEU 42 6.775 6.208 -0.500 318 HB2 LEU 42 1HB LEU 42 5.045 6.902 -2.210 319 HB3 LEU 42 2HB LEU 42 6.337 7.106 -3.381 320 HG LEU 42 HG LEU 42 6.868 4.707 -3.280 321 HD11 LEU 42 1HD1 LEU 42 5.176 3.205 -1.976 322 HD12 LEU 42 2HD1 LEU 42 4.637 4.684 -1.210 323 HD13 LEU 42 3HD1 LEU 42 6.315 4.141 -1.011 324 HD21 LEU 42 3HD2 LEU 42 4.002 4.326 -3.808 325 HD22 LEU 42 1HD2 LEU 42 5.350 4.362 -4.973 326 HD23 LEU 42 2HD2 LEU 42 4.560 5.857 -4.474 327 H VAL 43 H VAL 43 8.938 5.850 0.104 328 HA VAL 43 HA VAL 43 11.072 6.473 -1.908 329 HB VAL 43 HB VAL 43 12.568 6.559 0.097 330 HG11 VAL 43 1HG1 VAL 43 11.562 8.687 1.021 331 HG12 VAL 43 2HG1 VAL 43 11.605 8.587 -0.748 332 HG13 VAL 43 3HG1 VAL 43 10.075 8.349 0.135 333 HG21 VAL 43 3HG2 VAL 43 10.059 6.235 1.778 334 HG22 VAL 43 1HG2 VAL 43 11.395 5.070 1.660 335 HG23 VAL 43 2HG2 VAL 43 11.687 6.662 2.342 336 H ILE 44 H ILE 44 12.565 4.949 -2.512 337 HA ILE 44 HA ILE 44 11.844 2.170 -1.807 338 HB ILE 44 HB ILE 44 13.558 2.986 -4.161 339 HG12 ILE 44 1HG1 ILE 44 10.529 2.673 -4.040 340 HG13 ILE 44 2HG1 ILE 44 11.370 4.209 -4.279 341 HG21 ILE 44 1HG2 ILE 44 12.851 0.713 -4.933 342 HG22 ILE 44 2HG2 ILE 44 13.575 0.608 -3.340 343 HG23 ILE 44 3HG2 ILE 44 11.817 0.534 -3.495 344 HD11 ILE 44 3HD1 ILE 44 12.344 3.412 -6.375 345 HD12 ILE 44 1HD1 ILE 44 11.473 1.884 -6.140 346 HD13 ILE 44 2HD1 ILE 44 10.564 3.361 -6.406 347 H ALA 45 H ALA 45 12.848 2.024 0.146 348 HA ALA 45 HA ALA 45 15.787 2.499 0.302 349 HB1 ALA 45 1HB ALA 45 13.800 2.700 2.604 350 HB2 ALA 45 2HB ALA 45 15.515 3.119 2.520 351 HB3 ALA 45 3HB ALA 45 14.343 4.112 1.637 352 H GLY 46 H GLY 46 16.906 1.045 1.530 353 HA2 GLY 46 2HA GLY 46 17.261 -1.024 2.752 354 HA3 GLY 46 1HA GLY 46 15.572 -1.459 2.503 355 H GLU 47 H GLU 47 17.439 -3.313 2.068 356 HA GLU 47 HA GLU 47 18.444 -3.299 -0.683 357 HB2 GLU 47 1HB GLU 47 19.726 -3.757 1.503 358 HB3 GLU 47 2HB GLU 47 18.843 -5.286 1.555 359 HG2 GLU 47 1HG GLU 47 20.102 -4.982 -1.057 360 HG3 GLU 47 2HG GLU 47 21.289 -4.623 0.189 361 H HIS 48 H HIS 48 15.643 -4.560 0.834 362 HA HIS 48 HA HIS 48 15.374 -6.561 -1.333 363 HB2 HIS 48 1HB HIS 48 14.214 -6.411 1.458 364 HB3 HIS 48 2HB HIS 48 13.436 -7.380 0.218 365 HD1 HIS 48 1HD HIS 48 15.288 -9.135 -1.128 366 HD2 HIS 48 2HD HIS 48 16.134 -7.671 2.713 367 HE1 HIS 48 1HE HIS 48 17.137 -10.585 -0.229 368 H ASN 49 H ASN 49 14.871 -3.494 -1.113 369 HA ASN 49 HA ASN 49 13.619 -2.031 -2.331 370 HB2 ASN 49 1HB ASN 49 12.746 -4.420 -3.931 371 HB3 ASN 49 2HB ASN 49 12.938 -2.770 -4.512 372 HD21 ASN 49 1HD2 ASN 49 15.229 -1.995 -4.768 373 HD22 ASN 49 2HD2 ASN 49 16.479 -3.205 -4.995 374 H ILE 50 H ILE 50 12.393 -2.173 -0.206 375 HA ILE 50 HA ILE 50 9.600 -3.146 -0.351 376 HB ILE 50 HB ILE 50 11.365 -2.518 2.071 377 HG12 ILE 50 1HG1 ILE 50 10.390 -5.251 1.164 378 HG13 ILE 50 2HG1 ILE 50 12.030 -4.656 0.882 379 HG21 ILE 50 1HG2 ILE 50 8.568 -3.723 1.862 380 HG22 ILE 50 2HG2 ILE 50 9.456 -3.383 3.369 381 HG23 ILE 50 3HG2 ILE 50 8.945 -2.052 2.350 382 HD11 ILE 50 3HD1 ILE 50 12.332 -4.383 3.352 383 HD12 ILE 50 1HD1 ILE 50 10.763 -5.196 3.579 384 HD13 ILE 50 2HD1 ILE 50 12.101 -6.054 2.809 385 HA PRO 51 HA PRO 51 9.977 1.447 -0.835 386 HB2 PRO 51 1HB PRO 51 7.565 2.002 -1.966 387 HB3 PRO 51 2HB PRO 51 8.939 1.339 -2.913 388 HG2 PRO 51 1HG PRO 51 6.665 -0.216 -1.638 389 HG3 PRO 51 2HG PRO 51 7.221 -0.314 -3.321 390 HD2 PRO 51 1HD PRO 51 8.128 -2.114 -1.556 391 HD3 PRO 51 2HD PRO 51 9.272 -1.346 -2.699 392 H TRP 52 H TRP 52 9.556 2.752 0.934 393 HA TRP 52 HA TRP 52 7.440 1.881 2.841 394 HB2 TRP 52 1HB TRP 52 9.788 3.762 3.310 395 HB3 TRP 52 2HB TRP 52 8.661 3.155 4.504 396 HD1 TRP 52 HD TRP 52 11.631 2.063 2.384 397 HE1 TRP 52 1HE TRP 52 12.557 -0.153 3.181 398 HE3 TRP 52 3HE TRP 52 8.105 0.993 5.917 399 HZ2 TRP 52 2HZ TRP 52 11.862 -2.183 5.200 400 HZ3 TRP 52 3HZ TRP 52 8.174 -1.135 7.144 401 HH2 TRP 52 HH TRP 52 10.111 -2.709 6.843 402 H LEU 53 H LEU 53 5.644 3.208 3.094 403 HA LEU 53 HA LEU 53 5.775 5.917 1.953 404 HB2 LEU 53 1HB LEU 53 3.876 4.282 1.379 405 HB3 LEU 53 2HB LEU 53 3.355 4.454 3.053 406 HG LEU 53 HG LEU 53 3.385 7.037 2.556 407 HD11 LEU 53 1HD1 LEU 53 3.165 5.943 -0.282 408 HD12 LEU 53 2HD1 LEU 53 4.563 6.847 0.355 409 HD13 LEU 53 3HD1 LEU 53 2.989 7.622 0.189 410 HD21 LEU 53 3HD2 LEU 53 1.347 5.199 1.214 411 HD22 LEU 53 1HD2 LEU 53 1.089 6.918 1.619 412 HD23 LEU 53 2HD2 LEU 53 1.326 5.734 2.911 413 H LEU 54 H LEU 54 7.080 7.059 3.646 414 HA LEU 54 HA LEU 54 6.513 6.699 6.379 415 HB2 LEU 54 1HB LEU 54 7.430 9.249 5.034 416 HB3 LEU 54 2HB LEU 54 7.688 8.767 6.631 417 HG LEU 54 HG LEU 54 9.685 8.350 5.884 418 HD11 LEU 54 1HD1 LEU 54 10.336 6.121 5.346 419 HD12 LEU 54 2HD1 LEU 54 8.705 5.706 4.808 420 HD13 LEU 54 3HD1 LEU 54 9.021 6.090 6.518 421 HD21 LEU 54 3HD2 LEU 54 10.513 7.907 3.738 422 HD22 LEU 54 1HD2 LEU 54 9.412 9.279 3.728 423 HD23 LEU 54 2HD2 LEU 54 8.860 7.696 3.098 424 H TYR 55 H TYR 55 5.137 7.988 7.771 425 HA TYR 55 HA TYR 55 2.745 8.969 6.410 426 HB2 TYR 55 1HB TYR 55 2.678 7.650 8.539 427 HB3 TYR 55 2HB TYR 55 3.359 9.038 9.374 428 HD1 TYR 55 2HD TYR 55 0.532 8.161 6.998 429 HD2 TYR 55 1HD TYR 55 1.847 10.564 10.338 430 HE1 TYR 55 2HE TYR 55 -1.721 9.195 7.143 431 HE2 TYR 55 1HE TYR 55 -0.385 11.659 10.424 432 HH TYR 55 HH TYR 55 -2.338 12.049 9.143 433 H LEU 56 H LEU 56 3.486 10.696 5.164 434 HA LEU 56 HA LEU 56 3.668 13.150 6.706 435 HB2 LEU 56 1HB LEU 56 5.977 12.216 5.626 436 HB3 LEU 56 2HB LEU 56 5.492 13.259 4.348 437 HG LEU 56 HG LEU 56 5.105 14.493 7.051 438 HD11 LEU 56 1HD1 LEU 56 7.369 14.968 7.489 439 HD12 LEU 56 2HD1 LEU 56 7.931 14.034 6.086 440 HD13 LEU 56 3HD1 LEU 56 7.120 13.215 7.468 441 HD21 LEU 56 3HD2 LEU 56 6.576 15.513 4.620 442 HD22 LEU 56 1HD2 LEU 56 5.993 16.457 6.004 443 HD23 LEU 56 2HD2 LEU 56 4.822 15.720 4.900 444 HA PRO 57 HA PRO 57 0.531 13.482 3.376 445 HB2 PRO 57 1HB PRO 57 -1.106 15.281 4.642 446 HB3 PRO 57 2HB PRO 57 -1.138 13.531 5.017 447 HG2 PRO 57 1HG PRO 57 0.287 15.751 6.506 448 HG3 PRO 57 2HG PRO 57 -0.708 14.425 7.180 449 HD2 PRO 57 1HD PRO 57 2.075 14.343 7.048 450 HD3 PRO 57 2HD PRO 57 1.059 12.871 6.944 451 H GLY 58 H GLY 58 0.541 15.058 1.772 452 HA2 GLY 58 2HA GLY 58 0.714 17.130 0.769 453 HA3 GLY 58 1HA GLY 58 1.115 17.865 2.314 454 H LYS 59 H LYS 59 3.338 15.234 1.973 455 HA LYS 59 HA LYS 59 5.093 16.704 0.111 456 HB2 LYS 59 1HB LYS 59 5.526 16.674 2.858 457 HB3 LYS 59 2HB LYS 59 6.514 15.304 2.324 458 HG2 LYS 59 1HG LYS 59 6.500 18.083 1.172 459 HG3 LYS 59 2HG LYS 59 7.640 17.531 2.393 460 HD2 LYS 59 1HD LYS 59 7.495 16.349 -0.391 461 HD3 LYS 59 2HD LYS 59 8.530 17.703 0.077 462 HE2 LYS 59 1HE LYS 59 9.584 16.207 1.838 463 HE3 LYS 59 2HE LYS 59 8.679 14.865 1.154 464 HZ1 LYS 59 3HZ LYS 59 9.774 15.463 -1.035 465 HZ2 LYS 59 1HZ LYS 59 10.818 14.877 0.099 466 HZ3 LYS 59 2HZ LYS 59 10.764 16.473 -0.232 467 H GLY 60 H GLY 60 5.358 15.371 -1.560 468 HA2 GLY 60 2HA GLY 60 5.989 12.647 -1.673 469 HA3 GLY 60 1HA GLY 60 4.311 12.740 -1.143 470 H HIS 61 H HIS 61 3.626 11.649 -2.946 471 HA HIS 61 HA HIS 61 2.928 13.418 -5.190 472 HB2 HIS 61 1HB HIS 61 3.981 10.568 -5.371 473 HB3 HIS 61 2HB HIS 61 3.316 11.509 -6.714 474 HD1 HIS 61 1HD HIS 61 4.562 14.250 -6.721 475 HD2 HIS 61 2HD HIS 61 6.677 10.731 -5.775 476 HE1 HIS 61 1HE HIS 61 6.984 14.756 -7.153 477 H CYS 62 H CYS 62 1.041 12.214 -6.454 478 HA CYS 62 HA CYS 62 -0.821 11.276 -4.373 479 HB2 CYS 62 1HB CYS 62 -1.298 12.240 -7.249 480 HB3 CYS 62 2HB CYS 62 -2.565 11.682 -6.155 481 HG CYS 62 HG CYS 62 -2.799 14.171 -6.346 482 H VAL 63 H VAL 63 0.070 9.275 -4.111 483 HA VAL 63 HA VAL 63 0.490 7.551 -6.310 484 HB VAL 63 HB VAL 63 1.527 7.374 -4.319 485 HG11 VAL 63 1HG1 VAL 63 -0.349 6.306 -2.522 486 HG12 VAL 63 2HG1 VAL 63 1.404 6.615 -2.378 487 HG13 VAL 63 3HG1 VAL 63 0.391 7.988 -2.644 488 HG21 VAL 63 3HG2 VAL 63 0.015 4.779 -4.643 489 HG22 VAL 63 1HG2 VAL 63 1.338 5.289 -5.707 490 HG23 VAL 63 2HG2 VAL 63 1.674 4.927 -4.008 491 H THR 64 H THR 64 -0.827 6.262 -7.522 492 HA THR 64 HA THR 64 -3.677 6.502 -6.804 493 HB THR 64 HB THR 64 -4.282 5.893 -8.852 494 HG1 THR 64 1HG THR 64 -3.620 4.147 -9.506 495 HG21 THR 64 3HG2 THR 64 -3.002 7.116 -10.476 496 HG22 THR 64 1HG2 THR 64 -1.519 6.983 -9.509 497 HG23 THR 64 2HG2 THR 64 -2.882 7.972 -8.920 498 H GLY 65 H GLY 65 -5.006 4.710 -6.444 499 HA2 GLY 65 2HA GLY 65 -3.875 2.044 -6.149 500 HA3 GLY 65 1HA GLY 65 -4.340 2.791 -4.626 501 H GLU 66 H GLU 66 -5.809 0.656 -5.132 502 HA GLU 66 HA GLU 66 -8.391 1.722 -6.081 503 HB2 GLU 66 1HB GLU 66 -7.159 -1.027 -6.305 504 HB3 GLU 66 2HB GLU 66 -8.890 -0.881 -6.012 505 HG2 GLU 66 1HG GLU 66 -8.582 -1.035 -8.372 506 HG3 GLU 66 2HG GLU 66 -9.161 0.568 -7.968 507 H ILE 67 H ILE 67 -10.207 0.903 -4.676 508 HA ILE 67 HA ILE 67 -9.342 0.978 -1.836 509 HB ILE 67 HB ILE 67 -11.970 1.731 -3.167 510 HG12 ILE 67 1HG1 ILE 67 -10.073 3.534 -1.608 511 HG13 ILE 67 2HG1 ILE 67 -9.931 3.344 -3.351 512 HG21 ILE 67 1HG2 ILE 67 -11.111 1.547 -0.242 513 HG22 ILE 67 2HG2 ILE 67 -12.488 2.520 -0.749 514 HG23 ILE 67 3HG2 ILE 67 -12.510 0.781 -1.038 515 HD11 ILE 67 3HD1 ILE 67 -11.216 5.338 -2.838 516 HD12 ILE 67 1HD1 ILE 67 -12.201 4.150 -3.713 517 HD13 ILE 67 2HD1 ILE 67 -12.431 4.382 -1.972 518 H TYR 68 H TYR 68 -9.434 -0.904 -0.827 519 HA TYR 68 HA TYR 68 -11.311 -2.967 -1.838 520 HB2 TYR 68 1HB TYR 68 -8.713 -3.463 -0.386 521 HB3 TYR 68 2HB TYR 68 -9.934 -4.664 -0.744 522 HD1 TYR 68 2HD TYR 68 -10.575 -5.227 -3.060 523 HD2 TYR 68 1HD TYR 68 -7.182 -2.653 -2.242 524 HE1 TYR 68 2HE TYR 68 -9.834 -5.472 -5.407 525 HE2 TYR 68 1HE TYR 68 -6.456 -2.935 -4.583 526 HH TYR 68 HH TYR 68 -8.450 -4.418 -7.067 527 H GLU 69 H GLU 69 -12.942 -3.260 -0.678 528 HA GLU 69 HA GLU 69 -13.306 -2.449 2.129 529 HB2 GLU 69 1HB GLU 69 -15.123 -2.278 0.512 530 HB3 GLU 69 2HB GLU 69 -14.896 -3.938 -0.003 531 HG2 GLU 69 1HG GLU 69 -15.412 -4.028 2.805 532 HG3 GLU 69 2HG GLU 69 -16.525 -2.840 2.123 533 H VAL 70 H VAL 70 -12.680 -3.856 3.784 534 HA VAL 70 HA VAL 70 -12.073 -6.674 3.092 535 HB VAL 70 HB VAL 70 -9.974 -6.506 4.348 536 HG11 VAL 70 1HG1 VAL 70 -8.611 -5.386 2.677 537 HG12 VAL 70 2HG1 VAL 70 -9.894 -6.305 1.907 538 HG13 VAL 70 3HG1 VAL 70 -10.037 -4.546 2.025 539 HG21 VAL 70 3HG2 VAL 70 -10.443 -3.508 4.410 540 HG22 VAL 70 1HG2 VAL 70 -10.385 -4.630 5.796 541 HG23 VAL 70 2HG2 VAL 70 -8.931 -4.343 4.844 542 H ASP 71 H ASP 71 -11.798 -8.056 5.014 543 HA ASP 71 HA ASP 71 -13.415 -7.058 7.297 544 HB2 ASP 71 1HB ASP 71 -14.175 -9.125 7.726 545 HB3 ASP 71 2HB ASP 71 -14.092 -9.206 5.983 546 H GLU 72 H GLU 72 -12.832 -8.524 9.242 547 HA GLU 72 HA GLU 72 -10.382 -7.514 10.359 548 HB2 GLU 72 1HB GLU 72 -12.730 -9.060 11.214 549 HB3 GLU 72 2HB GLU 72 -11.260 -9.611 12.008 550 HG2 GLU 72 1HG GLU 72 -11.704 -6.636 11.858 551 HG3 GLU 72 2HG GLU 72 -12.786 -7.544 12.887 552 H GLN 73 H GLN 73 -11.252 -10.749 8.920 553 HA GLN 73 HA GLN 73 -8.778 -11.879 9.813 554 HB2 GLN 73 1HB GLN 73 -10.708 -13.278 9.191 555 HB3 GLN 73 2HB GLN 73 -10.550 -12.753 7.523 556 HG2 GLN 73 1HG GLN 73 -9.523 -15.033 8.024 557 HG3 GLN 73 2HG GLN 73 -8.466 -13.875 7.240 558 HE21 GLN 73 1HE2 GLN 73 -9.295 -14.261 10.739 559 HE22 GLN 73 2HE2 GLN 73 -7.605 -14.338 11.228 560 H MET 74 H MET 74 -9.775 -10.194 6.754 561 HA MET 74 HA MET 74 -7.218 -10.635 5.452 562 HB2 MET 74 1HB MET 74 -9.249 -9.920 4.265 563 HB3 MET 74 2HB MET 74 -9.418 -8.510 5.267 564 HG2 MET 74 1HG MET 74 -8.633 -7.857 3.117 565 HG3 MET 74 2HG MET 74 -7.389 -7.513 4.310 566 HE1 MET 74 3HE MET 74 -7.728 -11.348 3.032 567 HE2 MET 74 1HE MET 74 -8.719 -10.325 1.953 568 HE3 MET 74 2HE MET 74 -7.223 -11.097 1.371 569 H LEU 75 H LEU 75 -8.482 -7.927 7.471 570 HA LEU 75 HA LEU 75 -6.048 -6.490 7.337 571 HB2 LEU 75 1HB LEU 75 -8.490 -5.908 8.326 572 HB3 LEU 75 2HB LEU 75 -7.707 -6.321 9.844 573 HG LEU 75 HG LEU 75 -5.891 -4.595 9.274 574 HD11 LEU 75 1HD1 LEU 75 -6.198 -4.444 6.814 575 HD12 LEU 75 2HD1 LEU 75 -6.444 -2.879 7.573 576 HD13 LEU 75 3HD1 LEU 75 -7.849 -3.841 7.056 577 HD21 LEU 75 3HD2 LEU 75 -7.745 -4.099 10.803 578 HD22 LEU 75 1HD2 LEU 75 -8.761 -3.595 9.424 579 HD23 LEU 75 2HD2 LEU 75 -7.291 -2.670 9.855 580 H ARG 76 H ARG 76 -7.013 -9.019 9.650 581 HA ARG 76 HA ARG 76 -4.677 -8.791 11.346 582 HB2 ARG 76 1HB ARG 76 -6.790 -10.940 10.929 583 HB3 ARG 76 2HB ARG 76 -5.384 -11.209 11.960 584 HG2 ARG 76 1HG ARG 76 -5.928 -9.348 13.381 585 HG3 ARG 76 2HG ARG 76 -7.313 -8.887 12.376 586 HD2 ARG 76 1HD ARG 76 -8.519 -10.877 12.929 587 HD3 ARG 76 2HD ARG 76 -7.090 -11.666 13.600 588 HE ARG 76 HE ARG 76 -8.840 -9.728 14.892 589 HH11 ARG 76 1HH1 ARG 76 -5.628 -11.358 15.069 590 HH12 ARG 76 2HH1 ARG 76 -5.334 -10.869 16.676 591 HH21 ARG 76 1HH2 ARG 76 -8.554 -9.428 17.165 592 HH22 ARG 76 2HH2 ARG 76 -7.026 -9.783 17.911 593 H PHE 77 H PHE 77 -5.455 -10.800 8.492 594 HA PHE 77 HA PHE 77 -3.111 -12.409 8.625 595 HB2 PHE 77 1HB PHE 77 -5.010 -13.015 7.175 596 HB3 PHE 77 2HB PHE 77 -4.866 -11.514 6.306 597 HD1 PHE 77 2HD PHE 77 -2.756 -14.580 7.096 598 HD2 PHE 77 1HD PHE 77 -3.538 -11.247 4.497 599 HE1 PHE 77 2HE PHE 77 -1.153 -15.501 5.449 600 HE2 PHE 77 1HE PHE 77 -1.844 -12.104 2.883 601 HZ PHE 77 HZ PHE 77 -0.678 -14.274 3.339 602 H LEU 78 H LEU 78 -3.868 -9.452 6.769 603 HA LEU 78 HA LEU 78 -1.266 -9.061 5.695 604 HB2 LEU 78 1HB LEU 78 -3.835 -7.727 5.678 605 HB3 LEU 78 2HB LEU 78 -2.647 -6.543 6.079 606 HG LEU 78 HG LEU 78 -1.396 -7.003 4.025 607 HD11 LEU 78 1HD1 LEU 78 -1.835 -9.411 3.676 608 HD12 LEU 78 2HD1 LEU 78 -2.414 -8.502 2.285 609 HD13 LEU 78 3HD1 LEU 78 -3.572 -9.081 3.506 610 HD21 LEU 78 3HD2 LEU 78 -3.327 -5.388 4.029 611 HD22 LEU 78 1HD2 LEU 78 -4.409 -6.704 3.569 612 HD23 LEU 78 2HD2 LEU 78 -3.127 -6.195 2.458 613 H ASP 79 H ASP 79 -2.671 -8.138 8.812 614 HA ASP 79 HA ASP 79 -0.626 -6.376 9.674 615 HB2 ASP 79 1HB ASP 79 -2.707 -6.380 10.757 616 HB3 ASP 79 2HB ASP 79 -2.655 -8.101 11.070 617 H ASP 80 H ASP 80 -0.769 -9.920 9.598 618 HA ASP 80 HA ASP 80 1.770 -10.182 11.070 619 HB2 ASP 80 1HB ASP 80 -0.025 -11.925 11.151 620 HB3 ASP 80 2HB ASP 80 0.223 -12.250 9.432 621 H PHE 81 H PHE 81 0.591 -10.476 7.708 622 HA PHE 81 HA PHE 81 2.971 -11.447 6.595 623 HB2 PHE 81 1HB PHE 81 0.839 -11.594 5.421 624 HB3 PHE 81 2HB PHE 81 0.725 -9.840 5.349 625 HD1 PHE 81 1HD PHE 81 3.707 -12.022 4.519 626 HD2 PHE 81 2HD PHE 81 0.676 -9.302 3.063 627 HE1 PHE 81 1HE PHE 81 4.868 -11.867 2.350 628 HE2 PHE 81 2HE PHE 81 1.803 -9.225 0.878 629 HZ PHE 81 HZ PHE 81 3.919 -10.489 0.507 630 H GLU 82 H GLU 82 1.911 -8.023 6.901 631 HA GLU 82 HA GLU 82 4.323 -7.069 5.515 632 HB2 GLU 82 1HB GLU 82 2.220 -5.456 6.992 633 HB3 GLU 82 2HB GLU 82 3.439 -4.841 5.886 634 HG2 GLU 82 1HG GLU 82 1.069 -6.587 5.148 635 HG3 GLU 82 2HG GLU 82 1.351 -4.905 4.755 636 H ASP 83 H ASP 83 4.183 -8.520 8.354 637 HA ASP 83 HA ASP 83 5.116 -8.484 10.322 638 HB2 ASP 83 1HB ASP 83 7.238 -8.438 8.710 639 HB3 ASP 83 2HB ASP 83 7.371 -6.803 9.294 640 H CYS 84 H CYS 84 3.335 -6.182 9.828 641 HA CYS 84 HA CYS 84 4.484 -4.084 11.535 642 HB2 CYS 84 1HB CYS 84 2.441 -2.955 11.488 643 HB3 CYS 84 2HB CYS 84 2.666 -3.581 9.856 644 HG CYS 84 HG CYS 84 1.022 -5.255 12.174 645 HA PRO 85 HA PRO 85 3.258 -2.798 13.383 646 HB2 PRO 85 1HB PRO 85 3.727 -2.337 15.966 647 HB3 PRO 85 2HB PRO 85 2.140 -2.805 15.333 648 HG2 PRO 85 1HG PRO 85 4.212 -4.637 16.615 649 HG3 PRO 85 2HG PRO 85 2.460 -4.531 16.984 650 HD2 PRO 85 1HD PRO 85 3.540 -6.384 15.274 651 HD3 PRO 85 2HD PRO 85 1.897 -5.722 15.054 652 H SER 86 H SER 86 5.750 -5.113 13.507 653 HA SER 86 HA SER 86 7.915 -3.576 14.537 654 HB2 SER 86 1HB SER 86 7.583 -6.177 14.145 655 HB3 SER 86 2HB SER 86 8.252 -5.827 12.551 656 HG SER 86 HG SER 86 9.853 -6.382 13.932 657 H MET 87 H MET 87 7.287 -4.610 11.120 658 HA MET 87 HA MET 87 9.289 -2.809 10.078 659 HB2 MET 87 1HB MET 87 7.144 -4.531 8.807 660 HB3 MET 87 2HB MET 87 8.112 -3.409 7.853 661 HG2 MET 87 1HG MET 87 10.130 -4.525 8.436 662 HG3 MET 87 2HG MET 87 9.318 -5.604 9.552 663 HE1 MET 87 3HE MET 87 8.225 -5.884 5.025 664 HE2 MET 87 1HE MET 87 7.261 -5.015 6.227 665 HE3 MET 87 2HE MET 87 8.865 -4.388 5.739 666 H TYR 88 H TYR 88 5.754 -2.876 9.763 667 HA TYR 88 HA TYR 88 5.622 0.064 9.182 668 HB2 TYR 88 1HB TYR 88 3.795 -2.250 8.390 669 HB3 TYR 88 2HB TYR 88 3.375 -0.565 8.121 670 HD1 TYR 88 2HD TYR 88 4.902 0.908 6.720 671 HD2 TYR 88 1HD TYR 88 5.118 -3.401 6.753 672 HE1 TYR 88 2HE TYR 88 5.971 0.941 4.495 673 HE2 TYR 88 1HE TYR 88 6.167 -3.376 4.518 674 HH TYR 88 HH TYR 88 5.755 -1.040 2.481 675 H GLN 89 H GLN 89 3.389 0.944 10.013 676 HA GLN 89 HA GLN 89 2.586 -0.485 12.536 677 HB2 GLN 89 1HB GLN 89 3.035 2.514 12.166 678 HB3 GLN 89 2HB GLN 89 2.296 1.764 13.572 679 HG2 GLN 89 1HG GLN 89 4.347 1.857 14.398 680 HG3 GLN 89 2HG GLN 89 4.541 0.312 13.612 681 HE21 GLN 89 1HE2 GLN 89 6.407 0.150 12.440 682 HE22 GLN 89 2HE2 GLN 89 7.339 1.425 11.720 683 H ARG 90 H ARG 90 1.538 0.927 9.772 684 HA ARG 90 HA ARG 90 -0.411 1.383 8.761 685 HB2 ARG 90 1HB ARG 90 -1.117 -0.779 9.195 686 HB3 ARG 90 2HB ARG 90 -1.463 -0.492 10.863 687 HG2 ARG 90 1HG ARG 90 -3.032 1.080 8.784 688 HG3 ARG 90 2HG ARG 90 -3.371 -0.606 9.020 689 HD2 ARG 90 1HD ARG 90 -3.696 1.566 11.101 690 HD3 ARG 90 2HD ARG 90 -4.953 0.594 10.322 691 HE ARG 90 HE ARG 90 -2.871 -0.811 11.882 692 HH11 ARG 90 1HH1 ARG 90 -6.317 0.313 12.079 693 HH12 ARG 90 2HH1 ARG 90 -6.568 -0.625 13.476 694 HH21 ARG 90 1HH2 ARG 90 -3.333 -2.051 13.553 695 HH22 ARG 90 2HH2 ARG 90 -4.949 -2.185 14.200 696 H THR 91 H THR 91 -1.500 3.199 8.573 697 HA THR 91 HA THR 91 -2.617 4.519 10.989 698 HB THR 91 HB THR 91 -0.910 5.798 8.829 699 HG1 THR 91 1HG THR 91 -0.561 5.389 11.658 700 HG21 THR 91 3HG2 THR 91 -0.896 7.844 10.275 701 HG22 THR 91 1HG2 THR 91 -2.254 7.153 11.169 702 HG23 THR 91 2HG2 THR 91 -2.407 7.518 9.433 703 H ALA 92 H ALA 92 -4.207 6.149 10.350 704 HA ALA 92 HA ALA 92 -5.788 5.361 7.980 705 HB1 ALA 92 1HB ALA 92 -6.947 5.346 10.147 706 HB2 ALA 92 2HB ALA 92 -6.457 7.024 10.442 707 HB3 ALA 92 3HB ALA 92 -7.572 6.645 9.110 708 H LEU 93 H LEU 93 -5.808 6.605 6.282 709 HA LEU 93 HA LEU 93 -5.079 9.474 6.431 710 HB2 LEU 93 1HB LEU 93 -3.619 9.379 4.661 711 HB3 LEU 93 2HB LEU 93 -3.211 8.002 5.636 712 HG LEU 93 HG LEU 93 -2.946 7.161 3.506 713 HD11 LEU 93 1HD1 LEU 93 -5.901 6.494 4.059 714 HD12 LEU 93 2HD1 LEU 93 -4.494 5.572 4.629 715 HD13 LEU 93 3HD1 LEU 93 -4.893 5.696 2.895 716 HD21 LEU 93 3HD2 LEU 93 -3.840 9.186 2.422 717 HD22 LEU 93 1HD2 LEU 93 -5.407 8.378 2.472 718 HD23 LEU 93 2HD2 LEU 93 -4.070 7.635 1.590 719 H GLN 94 H GLN 94 -5.626 10.425 4.032 720 HA GLN 94 HA GLN 94 -8.532 9.937 3.582 721 HB2 GLN 94 1HB GLN 94 -7.726 12.236 4.397 722 HB3 GLN 94 2HB GLN 94 -6.825 12.375 2.900 723 HG2 GLN 94 1HG GLN 94 -8.762 13.544 2.412 724 HG3 GLN 94 2HG GLN 94 -9.131 11.984 1.693 725 HE21 GLN 94 1HE2 GLN 94 -10.893 10.671 2.737 726 HE22 GLN 94 2HE2 GLN 94 -11.882 11.435 3.965 727 H VAL 95 H VAL 95 -9.141 9.163 1.507 728 HA VAL 95 HA VAL 95 -7.100 9.344 -0.666 729 HB VAL 95 HB VAL 95 -8.750 6.963 0.214 730 HG11 VAL 95 1HG1 VAL 95 -8.775 7.015 -2.235 731 HG12 VAL 95 2HG1 VAL 95 -6.987 7.022 -2.246 732 HG13 VAL 95 3HG1 VAL 95 -7.909 5.651 -1.587 733 HG21 VAL 95 3HG2 VAL 95 -6.670 7.116 1.445 734 HG22 VAL 95 1HG2 VAL 95 -6.479 5.831 0.299 735 HG23 VAL 95 2HG2 VAL 95 -5.727 7.409 -0.046 736 H GLN 96 H GLN 96 -7.961 9.835 -2.663 737 HA GLN 96 HA GLN 96 -10.700 10.878 -2.699 738 HB2 GLN 96 1HB GLN 96 -8.898 11.907 -3.977 739 HB3 GLN 96 2HB GLN 96 -8.623 10.434 -4.928 740 HG2 GLN 96 1HG GLN 96 -10.876 10.723 -5.865 741 HG3 GLN 96 2HG GLN 96 -11.267 11.960 -4.698 742 HE21 GLN 96 1HE2 GLN 96 -11.708 13.680 -6.014 743 HE22 GLN 96 2HE2 GLN 96 -10.479 14.452 -7.013 744 H VAL 97 H VAL 97 -12.483 9.772 -3.514 745 HA VAL 97 HA VAL 97 -12.177 6.946 -4.309 746 HB VAL 97 HB VAL 97 -14.749 8.571 -4.061 747 HG11 VAL 97 1HG1 VAL 97 -15.641 6.184 -3.757 748 HG12 VAL 97 2HG1 VAL 97 -15.020 6.568 -5.365 749 HG13 VAL 97 3HG1 VAL 97 -14.041 5.602 -4.236 750 HG21 VAL 97 3HG2 VAL 97 -13.410 6.816 -1.968 751 HG22 VAL 97 1HG2 VAL 97 -13.710 8.569 -1.854 752 HG23 VAL 97 2HG2 VAL 97 -15.069 7.457 -1.882 753 H LEU 98 H LEU 98 -11.087 7.185 -6.201 754 HA LEU 98 HA LEU 98 -11.706 9.156 -8.248 755 HB2 LEU 98 1HB LEU 98 -9.761 6.983 -7.889 756 HB3 LEU 98 2HB LEU 98 -10.496 6.836 -9.452 757 HG LEU 98 HG LEU 98 -8.496 8.030 -9.683 758 HD11 LEU 98 1HD1 LEU 98 -10.438 8.846 -11.034 759 HD12 LEU 98 2HD1 LEU 98 -9.143 10.032 -10.805 760 HD13 LEU 98 3HD1 LEU 98 -10.646 10.173 -9.876 761 HD21 LEU 98 3HD2 LEU 98 -9.491 10.026 -7.628 762 HD22 LEU 98 1HD2 LEU 98 -7.954 10.099 -8.505 763 HD23 LEU 98 2HD2 LEU 98 -8.252 8.789 -7.353 764 H GLU 99 H GLU 99 -13.054 6.051 -7.315 765 HA GLU 99 HA GLU 99 -15.347 6.316 -8.922 766 HB2 GLU 99 1HB GLU 99 -13.163 4.581 -9.979 767 HB3 GLU 99 2HB GLU 99 -14.678 3.716 -9.761 768 HG2 GLU 99 1HG GLU 99 -15.866 5.108 -11.231 769 HG3 GLU 99 2HG GLU 99 -14.675 6.390 -11.128 770 H TRP 100 H TRP 100 -16.860 4.527 -8.271 771 HA TRP 100 HA TRP 100 -16.028 2.945 -5.895 772 HB2 TRP 100 1HB TRP 100 -17.217 5.068 -5.242 773 HB3 TRP 100 2HB TRP 100 -18.629 4.519 -6.148 774 HD1 TRP 100 HD TRP 100 -20.337 3.166 -4.713 775 HE1 TRP 100 1HE TRP 100 -20.303 1.995 -2.459 776 HE3 TRP 100 3HE TRP 100 -15.374 3.719 -3.569 777 HZ2 TRP 100 2HZ TRP 100 -18.416 1.357 -0.416 778 HZ3 TRP 100 3HZ TRP 100 -14.494 2.865 -1.440 779 HH2 TRP 100 HH TRP 100 -15.972 1.640 0.149 780 H GLU 101 H GLU 101 -16.677 0.799 -6.191 781 HA GLU 101 HA GLU 101 -18.829 0.271 -8.180 782 HB2 GLU 101 1HB GLU 101 -16.400 -1.445 -7.551 783 HB3 GLU 101 2HB GLU 101 -17.758 -1.881 -8.576 784 HG2 GLU 101 1HG GLU 101 -15.586 0.116 -9.105 785 HG3 GLU 101 2HG GLU 101 -15.985 -1.332 -9.999 786 H GLY 102 H GLY 102 -20.476 0.359 -6.662 787 HA2 GLY 102 2HA GLY 102 -21.808 -1.668 -5.917 788 HA3 GLY 102 1HA GLY 102 -20.556 -1.853 -4.683 789 H ASP 103 H ASP 103 -22.687 -1.727 -3.539 790 HA ASP 103 HA ASP 103 -23.760 0.791 -2.898 791 HB2 ASP 103 1HB ASP 103 -25.093 -0.306 -1.824 792 HB3 ASP 103 2HB ASP 103 -24.261 -1.861 -2.116 793 H GLY 104 H GLY 104 -23.047 2.392 -2.041 794 HA2 GLY 104 2HA GLY 104 -23.086 3.008 0.191 795 HA3 GLY 104 1HA GLY 104 -21.871 1.819 0.531 796 H ASP 105 H ASP 105 -22.615 4.806 -1.026 797 HA ASP 105 HA ASP 105 -20.038 5.600 -1.882 798 HB2 ASP 105 1HB ASP 105 -21.685 5.790 -3.529 799 HB3 ASP 105 2HB ASP 105 -22.853 6.547 -2.461 800 HA PRO 106 HA PRO 106 -20.040 8.201 1.946 801 HB2 PRO 106 1HB PRO 106 -17.384 8.833 1.937 802 HB3 PRO 106 2HB PRO 106 -18.016 7.266 2.535 803 HG2 PRO 106 1HG PRO 106 -16.695 7.876 -0.103 804 HG3 PRO 106 2HG PRO 106 -16.564 6.406 0.911 805 HD2 PRO 106 1HD PRO 106 -18.201 6.693 -1.327 806 HD3 PRO 106 2HD PRO 106 -18.425 5.462 -0.063 807 H GLY 107 H GLY 107 -18.043 9.060 -0.978 808 HA2 GLY 107 2HA GLY 107 -19.380 11.231 -1.976 809 HA3 GLY 107 1HA GLY 107 -18.338 11.861 -0.669 810 H ASP 108 H ASP 108 -17.225 12.888 -2.669 811 HA ASP 108 HA ASP 108 -15.645 11.263 -4.438 812 HB2 ASP 108 1HB ASP 108 -16.254 13.700 -4.774 813 HB3 ASP 108 2HB ASP 108 -15.105 14.089 -3.485 814 H SER 109 H SER 109 -15.278 11.719 -1.013 815 HA SER 109 HA SER 109 -12.558 10.625 -1.265 816 HB2 SER 109 1HB SER 109 -11.750 12.006 0.583 817 HB3 SER 109 2HB SER 109 -12.141 12.883 -0.894 818 HG SER 109 HG SER 109 -14.316 13.061 0.467 819 H VAL 110 H VAL 110 -11.878 9.314 0.519 820 HA VAL 110 HA VAL 110 -13.928 8.683 2.520 821 HB VAL 110 HB VAL 110 -14.185 7.215 0.495 822 HG11 VAL 110 1HG1 VAL 110 -11.540 5.970 1.367 823 HG12 VAL 110 2HG1 VAL 110 -12.623 5.394 0.090 824 HG13 VAL 110 3HG1 VAL 110 -11.781 6.940 -0.104 825 HG21 VAL 110 3HG2 VAL 110 -14.566 5.192 1.688 826 HG22 VAL 110 1HG2 VAL 110 -13.469 5.668 2.993 827 HG23 VAL 110 2HG2 VAL 110 -14.989 6.564 2.723 828 H GLN 111 H GLN 111 -12.983 7.320 4.232 829 HA GLN 111 HA GLN 111 -10.139 7.920 4.831 830 HB2 GLN 111 1HB GLN 111 -11.885 8.591 6.481 831 HB3 GLN 111 2HB GLN 111 -12.400 6.911 6.639 832 HG2 GLN 111 1HG GLN 111 -9.494 7.607 7.128 833 HG3 GLN 111 2HG GLN 111 -10.698 8.096 8.316 834 HE21 GLN 111 1HE2 GLN 111 -8.770 5.385 7.202 835 HE22 GLN 111 2HE2 GLN 111 -9.502 4.232 8.307 836 H CYS 112 H CYS 112 -8.694 6.229 4.838 837 HA CYS 112 HA CYS 112 -9.657 3.469 5.069 838 HB2 CYS 112 1HB CYS 112 -7.699 3.149 3.135 839 HB3 CYS 112 2HB CYS 112 -9.433 3.114 2.804 840 HG CYS 112 HG CYS 112 -9.606 5.657 2.281 841 H PHE 113 H PHE 113 -7.752 1.955 5.299 842 HA PHE 113 HA PHE 113 -5.651 3.212 6.981 843 HB2 PHE 113 1HB PHE 113 -6.428 0.287 6.778 844 HB3 PHE 113 2HB PHE 113 -5.335 0.980 7.912 845 HD1 PHE 113 2HD PHE 113 -6.351 2.934 9.422 846 HD2 PHE 113 1HD PHE 113 -8.658 -0.078 7.404 847 HE1 PHE 113 2HE PHE 113 -8.389 3.625 10.707 848 HE2 PHE 113 1HE PHE 113 -10.692 0.617 8.678 849 HZ PHE 113 HZ PHE 113 -10.559 2.503 10.287 850 H VAL 114 H VAL 114 -3.493 2.839 6.470 851 HA VAL 114 HA VAL 114 -2.827 1.314 4.048 852 HB VAL 114 HB VAL 114 -2.275 4.262 4.577 853 HG11 VAL 114 1HG1 VAL 114 -0.725 4.257 2.611 854 HG12 VAL 114 2HG1 VAL 114 -0.058 3.387 3.985 855 HG13 VAL 114 3HG1 VAL 114 -0.740 2.484 2.642 856 HG21 VAL 114 3HG2 VAL 114 -4.252 3.580 3.156 857 HG22 VAL 114 1HG2 VAL 114 -3.036 4.510 2.266 858 HG23 VAL 114 2HG2 VAL 114 -3.142 2.744 2.065 859 H TYR 115 H TYR 115 -0.766 0.415 4.180 860 HA TYR 115 HA TYR 115 0.517 0.319 6.791 861 HB2 TYR 115 1HB TYR 115 1.306 -0.747 4.063 862 HB3 TYR 115 2HB TYR 115 2.399 -0.791 5.430 863 HD1 TYR 115 1HD TYR 115 1.498 -1.629 7.677 864 HD2 TYR 115 2HD TYR 115 -0.395 -2.518 3.894 865 HE1 TYR 115 1HE TYR 115 0.315 -3.502 8.721 866 HE2 TYR 115 2HE TYR 115 -1.575 -4.417 4.959 867 HH TYR 115 HH TYR 115 -0.813 -5.879 7.609 868 H THR 116 H THR 116 1.366 2.130 7.559 869 HA THR 116 HA THR 116 3.346 3.540 5.886 870 HB THR 116 HB THR 116 2.673 5.560 7.151 871 HG1 THR 116 1HG THR 116 1.762 4.825 8.998 872 HG21 THR 116 3HG2 THR 116 0.165 4.297 5.971 873 HG22 THR 116 1HG2 THR 116 1.484 5.004 4.999 874 HG23 THR 116 2HG2 THR 116 0.545 6.009 6.121 875 H THR 117 H THR 117 4.882 4.795 7.386 876 HA THR 117 HA THR 117 5.388 3.398 9.926 877 HB THR 117 HB THR 117 7.002 2.271 8.702 878 HG1 THR 117 1HG THR 117 8.602 2.961 9.846 879 HG21 THR 117 3HG2 THR 117 6.823 3.217 6.492 880 HG22 THR 117 1HG2 THR 117 8.513 3.408 6.990 881 HG23 THR 117 2HG2 THR 117 7.396 4.790 7.064 882 H ALA 118 H ALA 118 6.106 4.698 11.464 883 HA ALA 118 HA ALA 118 6.389 7.624 10.946 884 HB1 ALA 118 1HB ALA 118 5.440 6.030 13.351 885 HB2 ALA 118 2HB ALA 118 5.754 7.786 13.381 886 HB3 ALA 118 3HB ALA 118 4.479 7.140 12.333 887 H THR 119 H THR 119 8.148 4.748 11.715 888 HA THR 119 HA THR 119 10.281 6.246 13.146 889 HB THR 119 HB THR 119 8.977 4.954 14.691 890 HG1 THR 119 1HG THR 119 11.513 3.760 14.234 891 HG21 THR 119 3HG2 THR 119 9.755 2.335 13.407 892 HG22 THR 119 1HG2 THR 119 8.207 3.136 13.084 893 HG23 THR 119 2HG2 THR 119 8.620 2.664 14.723 894 H TYR 120 H TYR 120 10.674 6.536 10.752 895 HA TYR 120 HA TYR 120 12.226 4.333 9.524 896 HB2 TYR 120 1HB TYR 120 12.126 5.976 7.557 897 HB3 TYR 120 2HB TYR 120 10.622 5.207 8.043 898 HD1 TYR 120 2HD TYR 120 8.809 6.491 9.109 899 HD2 TYR 120 1HD TYR 120 12.463 8.415 7.861 900 HE1 TYR 120 2HE TYR 120 7.708 8.702 9.334 901 HE2 TYR 120 1HE TYR 120 11.363 10.636 8.131 902 HH TYR 120 HH TYR 120 7.977 11.048 9.167 903 H ALA 121 H ALA 121 14.293 4.864 8.595 904 HA ALA 121 HA ALA 121 16.060 6.486 10.173 905 HB1 ALA 121 1HB ALA 121 16.397 5.077 7.489 906 HB2 ALA 121 2HB ALA 121 17.715 5.724 8.483 907 HB3 ALA 121 3HB ALA 121 16.740 4.386 9.086 908 HA PRO 122 HA PRO 122 15.723 10.239 7.834 909 HB2 PRO 122 1HB PRO 122 18.171 11.438 8.003 910 HB3 PRO 122 2HB PRO 122 17.053 11.242 9.395 911 HG2 PRO 122 1HG PRO 122 19.432 9.532 8.648 912 HG3 PRO 122 2HG PRO 122 18.994 10.155 10.260 913 HD2 PRO 122 1HD PRO 122 18.380 7.611 9.462 914 HD3 PRO 122 2HD PRO 122 17.340 8.550 10.553 915 H GLU 123 H GLU 123 18.485 8.160 6.874 916 HA GLU 123 HA GLU 123 19.112 9.177 4.370 917 HB2 GLU 123 1HB GLU 123 19.393 6.648 3.742 918 HB3 GLU 123 2HB GLU 123 20.499 7.419 4.833 919 HG2 GLU 123 1HG GLU 123 18.106 5.993 6.026 920 HG3 GLU 123 2HG GLU 123 19.415 5.035 5.332 921 H TRP 124 H TRP 124 16.351 7.059 5.061 922 HA TRP 124 HA TRP 124 15.626 6.587 2.536 923 HB2 TRP 124 1HB TRP 124 13.957 6.823 5.040 924 HB3 TRP 124 2HB TRP 124 13.471 5.995 3.567 925 HD1 TRP 124 HD TRP 124 16.984 4.996 3.902 926 HE1 TRP 124 1HE TRP 124 17.139 2.665 4.837 927 HE3 TRP 124 3HE TRP 124 12.208 4.550 5.649 928 HZ2 TRP 124 2HZ TRP 124 15.311 0.661 5.867 929 HZ3 TRP 124 3HZ TRP 124 11.392 2.401 6.496 930 HH2 TRP 124 HH TRP 124 12.940 0.418 6.573 931 H LEU 125 H LEU 125 15.282 9.584 4.234 932 HA LEU 125 HA LEU 125 13.054 10.624 2.645 933 HB2 LEU 125 1HB LEU 125 15.091 12.000 4.431 934 HB3 LEU 125 2HB LEU 125 13.670 12.780 3.780 935 HG LEU 125 HG LEU 125 13.444 10.303 5.555 936 HD11 LEU 125 1HD1 LEU 125 13.489 13.243 6.287 937 HD12 LEU 125 2HD1 LEU 125 14.655 11.978 6.785 938 HD13 LEU 125 3HD1 LEU 125 12.976 11.922 7.381 939 HD21 LEU 125 3HD2 LEU 125 11.181 11.111 5.931 940 HD22 LEU 125 1HD2 LEU 125 11.430 10.875 4.190 941 HD23 LEU 125 2HD2 LEU 125 11.440 12.530 4.884 942 H PHE 126 H PHE 126 16.338 10.038 1.886 943 HA PHE 126 HA PHE 126 16.603 12.400 0.104 944 HB2 PHE 126 1HB PHE 126 18.527 10.152 0.765 945 HB3 PHE 126 2HB PHE 126 18.920 11.537 -0.178 946 HD1 PHE 126 2HD PHE 126 17.744 13.804 1.479 947 HD2 PHE 126 1HD PHE 126 19.909 10.268 2.651 948 HE1 PHE 126 2HE PHE 126 18.378 14.886 3.613 949 HE2 PHE 126 1HE PHE 126 20.461 11.333 4.820 950 HZ PHE 126 HZ PHE 126 19.660 13.625 5.331 951 H LEU 127 H LEU 127 15.391 9.287 -0.038 952 HA LEU 127 HA LEU 127 16.460 8.282 -2.510 953 HB2 LEU 127 1HB LEU 127 14.061 7.752 -0.747 954 HB3 LEU 127 2HB LEU 127 14.336 6.781 -2.158 955 HG LEU 127 HG LEU 127 15.085 5.894 0.196 956 HD11 LEU 127 1HD1 LEU 127 17.266 5.967 -1.977 957 HD12 LEU 127 2HD1 LEU 127 15.812 4.957 -2.165 958 HD13 LEU 127 3HD1 LEU 127 16.950 4.641 -0.828 959 HD21 LEU 127 3HD2 LEU 127 16.238 7.762 0.887 960 HD22 LEU 127 1HD2 LEU 127 17.554 7.479 -0.285 961 HD23 LEU 127 2HD2 LEU 127 17.194 6.250 0.969 962 HA PRO 128 HA PRO 128 13.591 10.305 -5.337 963 HB2 PRO 128 1HB PRO 128 12.876 8.287 -7.051 964 HB3 PRO 128 2HB PRO 128 14.471 9.089 -7.101 965 HG2 PRO 128 1HG PRO 128 13.765 6.493 -5.679 966 HG3 PRO 128 2HG PRO 128 15.124 6.808 -6.799 967 HD2 PRO 128 1HD PRO 128 15.493 6.896 -4.146 968 HD3 PRO 128 2HD PRO 128 16.264 8.128 -5.188 969 H TYR 129 H TYR 129 11.454 10.677 -5.203 970 HA TYR 129 HA TYR 129 9.690 8.853 -3.663 971 HB2 TYR 129 1HB TYR 129 9.444 11.672 -4.747 972 HB3 TYR 129 2HB TYR 129 8.091 10.795 -4.070 973 HD1 TYR 129 1HD TYR 129 11.239 10.129 -2.327 974 HD2 TYR 129 2HD TYR 129 7.833 12.712 -2.625 975 HE1 TYR 129 1HE TYR 129 11.761 10.990 -0.132 976 HE2 TYR 129 2HE TYR 129 8.168 13.437 -0.262 977 HH TYR 129 HH TYR 129 11.151 12.501 1.514 978 H HIS 130 H HIS 130 7.683 8.279 -4.525 979 HA HIS 130 HA HIS 130 7.464 8.188 -7.501 980 HB2 HIS 130 1HB HIS 130 7.477 5.789 -5.628 981 HB3 HIS 130 2HB HIS 130 7.095 5.723 -7.353 982 HD1 HIS 130 1HD HIS 130 9.181 6.218 -9.081 983 HD2 HIS 130 2HD HIS 130 10.151 6.208 -4.960 984 HE1 HIS 130 1HE HIS 130 11.711 6.058 -8.915 985 H GLU 131 H GLU 131 5.365 7.121 -8.145 986 HA GLU 131 HA GLU 131 3.084 7.906 -6.353 987 HB2 GLU 131 1HB GLU 131 4.079 9.407 -8.328 988 HB3 GLU 131 2HB GLU 131 3.146 8.347 -9.355 989 HG2 GLU 131 1HG GLU 131 1.054 8.983 -8.216 990 HG3 GLU 131 2HG GLU 131 1.953 9.832 -6.985 991 H SER 132 H SER 132 4.542 5.490 -7.978 992 HA SER 132 HA SER 132 2.258 3.785 -7.534 993 HB2 SER 132 1HB SER 132 2.120 2.822 -9.754 994 HB3 SER 132 2HB SER 132 1.927 4.550 -9.918 995 HG SER 132 HG SER 132 3.355 3.814 -11.468 996 H TYR 133 H TYR 133 2.996 1.401 -7.899 997 HA TYR 133 HA TYR 133 5.931 1.143 -7.732 998 HB2 TYR 133 1HB TYR 133 4.790 0.668 -5.554 999 HB3 TYR 133 2HB TYR 133 4.144 -0.767 -6.297 1000 HD1 TYR 133 1HD TYR 133 7.446 0.999 -5.925 1001 HD2 TYR 133 2HD TYR 133 5.362 -2.731 -6.180 1002 HE1 TYR 133 1HE TYR 133 9.550 -0.179 -5.345 1003 HE2 TYR 133 2HE TYR 133 7.490 -3.958 -5.766 1004 HH TYR 133 HH TYR 133 10.130 -2.759 -4.298 1005 H ASP 134 H ASP 134 6.259 0.689 -9.711 1006 HA ASP 134 HA ASP 134 4.617 -1.447 -11.017 1007 HB2 ASP 134 1HB ASP 134 5.560 1.222 -11.851 1008 HB3 ASP 134 2HB ASP 134 5.933 -0.045 -13.031 1009 H SER 135 H SER 135 5.510 -3.288 -11.405 1010 HA SER 135 HA SER 135 8.159 -4.111 -10.722 1011 HB2 SER 135 1HB SER 135 5.958 -5.355 -10.563 1012 HB3 SER 135 2HB SER 135 5.975 -5.440 -12.324 1013 HG SER 135 HG SER 135 6.767 -7.230 -11.838 1014 H GLU 136 H GLU 136 6.663 -2.843 -13.607 1015 HA GLU 136 HA GLU 136 9.057 -3.349 -15.252 1016 HB2 GLU 136 1HB GLU 136 7.536 -3.299 -17.256 1017 HB3 GLU 136 2HB GLU 136 7.552 -4.785 -16.313 1018 HG2 GLU 136 1HG GLU 136 5.407 -4.375 -15.371 1019 HG3 GLU 136 2HG GLU 136 5.381 -2.710 -15.959 1020 H GLY 137 H GLY 137 9.760 -1.470 -14.299 1021 HA2 GLY 137 2HA GLY 137 8.948 0.906 -15.853 1022 HA3 GLY 137 1HA GLY 137 8.891 1.071 -14.093 1023 HA PRO 138 HA PRO 138 13.169 1.723 -15.806 1024 HB2 PRO 138 1HB PRO 138 13.573 4.438 -15.470 1025 HB3 PRO 138 2HB PRO 138 12.700 3.764 -16.880 1026 HG2 PRO 138 1HG PRO 138 11.509 4.851 -14.303 1027 HG3 PRO 138 2HG PRO 138 11.049 5.257 -15.987 1028 HD2 PRO 138 1HD PRO 138 9.680 3.387 -14.538 1029 HD3 PRO 138 2HD PRO 138 9.968 3.172 -16.291 1030 H HIS 139 H HIS 139 11.734 2.463 -12.803 1031 HA HIS 139 HA HIS 139 13.604 3.364 -11.122 1032 HB2 HIS 139 1HB HIS 139 12.091 0.977 -10.183 1033 HB3 HIS 139 2HB HIS 139 12.265 2.562 -9.442 1034 HD1 HIS 139 1HD HIS 139 10.068 0.510 -11.750 1035 HD2 HIS 139 2HD HIS 139 10.388 4.416 -10.185 1036 HE1 HIS 139 1HE HIS 139 7.798 1.641 -12.128 1037 H GLY 140 H GLY 140 13.229 -0.080 -11.475 1038 HA2 GLY 140 2HA GLY 140 14.916 -1.594 -12.401 1039 HA3 GLY 140 1HA GLY 140 16.181 -0.643 -11.590 1040 H LEU 141 H LEU 141 15.598 -0.357 -9.245 1041 HA LEU 141 HA LEU 141 15.577 -2.502 -7.476 1042 HB2 LEU 141 1HB LEU 141 14.717 -0.703 -5.896 1043 HB3 LEU 141 2HB LEU 141 16.371 -0.779 -6.472 1044 HG LEU 141 HG LEU 141 15.107 1.354 -6.392 1045 HD11 LEU 141 1HD1 LEU 141 16.796 0.748 -8.798 1046 HD12 LEU 141 2HD1 LEU 141 17.310 1.319 -7.208 1047 HD13 LEU 141 3HD1 LEU 141 16.373 2.382 -8.253 1048 HD21 LEU 141 3HD2 LEU 141 13.134 1.147 -7.279 1049 HD22 LEU 141 1HD2 LEU 141 13.753 0.630 -8.835 1050 HD23 LEU 141 2HD2 LEU 141 14.043 2.302 -8.255 1051 H ARG 142 H ARG 142 13.706 -3.762 -8.692 1052 HA ARG 142 HA ARG 142 11.054 -3.158 -7.569 1053 HB2 ARG 142 1HB ARG 142 12.133 -5.344 -9.357 1054 HB3 ARG 142 2HB ARG 142 10.416 -5.117 -8.976 1055 HG2 ARG 142 1HG ARG 142 12.186 -3.202 -10.543 1056 HG3 ARG 142 2HG ARG 142 10.872 -4.208 -11.128 1057 HD2 ARG 142 1HD ARG 142 9.996 -2.150 -10.933 1058 HD3 ARG 142 2HD ARG 142 9.335 -2.928 -9.492 1059 HE ARG 142 HE ARG 142 11.748 -1.414 -9.000 1060 HH11 ARG 142 1HH1 ARG 142 8.400 -0.718 -9.827 1061 HH12 ARG 142 2HH1 ARG 142 8.301 0.654 -8.737 1062 HH21 ARG 142 1HH2 ARG 142 11.482 0.103 -7.396 1063 HH22 ARG 142 2HH2 ARG 142 10.102 1.184 -7.412 1064 H TYR 143 H TYR 143 9.808 -5.224 -6.780 1065 HA TYR 143 HA TYR 143 11.114 -5.620 -4.268 1066 HB2 TYR 143 1HB TYR 143 8.718 -5.256 -4.489 1067 HB3 TYR 143 2HB TYR 143 8.536 -6.797 -5.332 1068 HD1 TYR 143 2HD TYR 143 10.345 -5.670 -2.167 1069 HD2 TYR 143 1HD TYR 143 7.478 -8.352 -3.942 1070 HE1 TYR 143 2HE TYR 143 10.313 -6.981 -0.130 1071 HE2 TYR 143 1HE TYR 143 7.231 -9.536 -1.812 1072 HH TYR 143 HH TYR 143 9.629 -8.866 0.851 1073 H ASN 144 H ASN 144 11.692 -7.546 -3.174 1074 HA ASN 144 HA ASN 144 12.269 -9.937 -4.890 1075 HB2 ASN 144 1HB ASN 144 14.088 -8.491 -2.934 1076 HB3 ASN 144 2HB ASN 144 14.291 -10.211 -3.307 1077 HD21 ASN 144 1HD2 ASN 144 16.186 -7.949 -3.977 1078 HD22 ASN 144 2HD2 ASN 144 16.224 -7.880 -5.726 1079 HA PRO 145 HA PRO 145 9.819 -11.521 -1.367 1080 HB2 PRO 145 1HB PRO 145 8.100 -13.041 -2.846 1081 HB3 PRO 145 2HB PRO 145 7.843 -11.296 -2.653 1082 HG2 PRO 145 1HG PRO 145 9.216 -12.698 -4.938 1083 HG3 PRO 145 2HG PRO 145 7.913 -11.501 -5.029 1084 HD2 PRO 145 1HD PRO 145 10.514 -10.869 -5.357 1085 HD3 PRO 145 2HD PRO 145 9.386 -9.739 -4.563 1086 H ARG 146 H ARG 146 12.132 -12.476 -3.588 1087 HA ARG 146 HA ARG 146 13.144 -14.396 -4.264 1088 HB2 ARG 146 1HB ARG 146 13.761 -14.118 -1.817 1089 HB3 ARG 146 2HB ARG 146 12.591 -15.386 -1.454 1090 HG2 ARG 146 1HG ARG 146 14.127 -16.954 -1.971 1091 HG3 ARG 146 2HG ARG 146 14.208 -16.358 -3.637 1092 HD2 ARG 146 1HD ARG 146 15.894 -14.652 -2.915 1093 HD3 ARG 146 2HD ARG 146 15.824 -15.327 -1.274 1094 HE ARG 146 HE ARG 146 16.574 -16.918 -3.705 1095 HH11 ARG 146 1HH1 ARG 146 17.240 -16.158 -0.274 1096 HH12 ARG 146 2HH1 ARG 146 18.173 -17.602 -0.055 1097 HH21 ARG 146 1HH2 ARG 146 17.705 -18.667 -3.400 1098 HH22 ARG 146 2HH2 ARG 146 18.475 -19.086 -1.872 1099 H GLU 147 H GLU 147 10.235 -14.341 -4.821 1100 HA GLU 147 HA GLU 147 8.850 -16.542 -4.140 1101 HB2 GLU 147 1HB GLU 147 7.389 -16.060 -6.008 1102 HB3 GLU 147 2HB GLU 147 7.779 -14.672 -4.979 1103 HG2 GLU 147 1HG GLU 147 9.612 -14.155 -6.562 1104 HG3 GLU 147 2HG GLU 147 8.917 -15.350 -7.709 1105 H ASN 148 H ASN 148 11.353 -16.396 -6.421 1106 HA ASN 148 HA ASN 148 11.194 -19.177 -7.343 1107 HB2 ASN 148 1HB ASN 148 11.248 -18.457 -9.674 1108 HB3 ASN 148 2HB ASN 148 9.816 -17.767 -8.918 1109 HD21 ASN 148 1HD2 ASN 148 11.928 -16.752 -11.281 1110 HD22 ASN 148 2HD2 ASN 148 12.069 -15.125 -10.772 1111 H ARG 149 H ARG 149 13.107 -17.384 -5.661 1112 HA ARG 149 HA ARG 149 15.538 -17.680 -7.274 1113 HB2 ARG 149 1HB ARG 149 15.273 -15.463 -5.212 1114 HB3 ARG 149 2HB ARG 149 16.697 -15.935 -6.095 1115 HG2 ARG 149 1HG ARG 149 15.978 -13.934 -7.049 1116 HG3 ARG 149 2HG ARG 149 15.565 -15.178 -8.222 1117 HD2 ARG 149 1HD ARG 149 13.411 -14.729 -8.108 1118 HD3 ARG 149 2HD ARG 149 13.395 -14.709 -6.323 1119 HE ARG 149 HE ARG 149 14.519 -12.297 -6.959 1120 HH11 ARG 149 1HH1 ARG 149 11.500 -13.766 -8.264 1121 HH12 ARG 149 2HH1 ARG 149 10.718 -12.243 -8.427 1122 HH21 ARG 149 1HH2 ARG 149 13.273 -10.238 -7.166 1123 HH22 ARG 149 2HH2 ARG 149 11.654 -10.362 -7.775
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