NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
281418 | 2rql | 11077 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 6.061 -13.889 -5.345 2 H2 MET 1 2H MET 1 5.547 -13.999 -3.712 3 H3 MET 1 3H MET 1 7.182 -13.624 -4.075 4 HA MET 1 HA MET 1 5.746 -11.749 -3.365 5 HB2 MET 1 2HB MET 1 7.273 -11.813 -5.965 6 HB3 MET 1 3HB MET 1 6.681 -10.314 -5.264 7 HG2 MET 1 2HG MET 1 8.268 -10.272 -3.679 8 HG3 MET 1 3HG MET 1 8.213 -12.016 -3.431 9 HE1 MET 1 2HE MET 1 10.639 -13.554 -5.697 10 HE2 MET 1 3HE MET 1 10.826 -13.215 -3.975 11 HE3 MET 1 1HE MET 1 9.250 -13.676 -4.618 12 H GLN 2 HN GLN 2 3.496 -12.617 -3.642 13 HA GLN 2 HA GLN 2 2.273 -11.498 -6.079 14 HB2 GLN 2 2HB GLN 2 2.128 -14.143 -5.071 15 HB3 GLN 2 3HB GLN 2 0.545 -13.416 -4.829 16 HG2 GLN 2 2HG GLN 2 0.439 -12.834 -7.191 17 HG3 GLN 2 3HG GLN 2 2.037 -13.535 -7.441 18 HE21 GLN 2 1HE2 GLN 2 -1.254 -14.282 -6.431 19 HE22 GLN 2 2HE2 GLN 2 -1.228 -15.935 -6.934 20 H LEU 3 HN LEU 3 0.792 -9.957 -5.792 21 HA LEU 3 HA LEU 3 -0.354 -9.614 -3.099 22 HB2 LEU 3 2HB LEU 3 -0.195 -7.250 -3.280 23 HB3 LEU 3 3HB LEU 3 1.381 -7.913 -3.659 24 HG LEU 3 HG LEU 3 -0.459 -7.322 -5.925 25 HD11 LEU 3 1HD1 LEU 3 0.301 -4.991 -5.970 26 HD12 LEU 3 2HD1 LEU 3 -0.679 -5.339 -4.547 27 HD13 LEU 3 3HD1 LEU 3 1.074 -5.221 -4.401 28 HD21 LEU 3 3HD2 LEU 3 1.468 -8.117 -6.804 29 HD22 LEU 3 1HD2 LEU 3 1.965 -6.434 -6.632 30 HD23 LEU 3 2HD2 LEU 3 2.436 -7.621 -5.416 31 H ASN 4 HN ASN 4 -2.486 -8.890 -2.958 32 HA ASN 4 HA ASN 4 -3.984 -8.621 -5.456 33 HB2 ASN 4 2HB ASN 4 -4.002 -10.977 -3.924 34 HB3 ASN 4 3HB ASN 4 -5.523 -10.167 -3.560 35 HD21 ASN 4 1HD2 ASN 4 -3.972 -12.225 -5.640 36 HD22 ASN 4 2HD2 ASN 4 -5.073 -12.154 -6.970 37 H ILE 5 HN ILE 5 -6.066 -7.618 -5.204 38 HA ILE 5 HA ILE 5 -6.442 -6.215 -2.646 39 HB ILE 5 HB ILE 5 -7.359 -4.319 -4.272 40 HG12 ILE 5 2HG1 ILE 5 -4.978 -5.269 -5.845 41 HG13 ILE 5 3HG1 ILE 5 -6.603 -5.811 -6.252 42 HG21 ILE 5 1HG2 ILE 5 -5.785 -3.173 -3.219 43 HG22 ILE 5 2HG2 ILE 5 -5.091 -4.701 -2.673 44 HG23 ILE 5 3HG2 ILE 5 -4.517 -3.955 -4.165 45 HD11 ILE 5 3HD1 ILE 5 -5.445 -3.062 -6.401 46 HD12 ILE 5 1HD1 ILE 5 -6.250 -4.004 -7.657 47 HD13 ILE 5 2HD1 ILE 5 -7.189 -3.316 -6.331 48 H THR 6 HN THR 6 -8.602 -5.520 -2.212 49 HA THR 6 HA THR 6 -10.692 -6.618 -3.939 50 HB THR 6 HB THR 6 -10.955 -7.002 -0.982 51 HG1 THR 6 1HG THR 6 -9.146 -8.127 -1.157 52 HG21 THR 6 3HG2 THR 6 -12.179 -8.127 -3.423 53 HG22 THR 6 1HG2 THR 6 -12.904 -7.720 -1.868 54 HG23 THR 6 2HG2 THR 6 -11.975 -9.208 -2.046 55 H GLY 7 HN GLY 7 -12.066 -5.019 -4.364 56 HA2 GLY 7 2HA GLY 7 -12.248 -2.793 -2.457 57 HA3 GLY 7 3HA GLY 7 -12.674 -2.718 -4.158 58 H ASN 8 HN ASN 8 -13.955 -2.550 -1.212 59 HA ASN 8 HA ASN 8 -16.409 -4.018 -1.870 60 HB2 ASN 8 2HB ASN 8 -16.998 -3.423 0.561 61 HB3 ASN 8 3HB ASN 8 -15.725 -4.610 0.305 62 HD21 ASN 8 1HD2 ASN 8 -15.608 -3.680 2.667 63 HD22 ASN 8 2HD2 ASN 8 -14.416 -2.447 2.878 64 H ASN 9 HN ASN 9 -17.978 -2.905 -2.809 65 HA ASN 9 HA ASN 9 -19.446 -1.242 -3.324 66 HB2 ASN 9 2HB ASN 9 -19.519 -1.027 -0.779 67 HB3 ASN 9 3HB ASN 9 -18.391 0.312 -0.961 68 HD21 ASN 9 1HD2 ASN 9 -20.084 1.562 0.044 69 HD22 ASN 9 2HD2 ASN 9 -21.371 2.187 -0.926 70 H VAL 10 HN VAL 10 -16.814 -1.306 -4.444 71 HA VAL 10 HA VAL 10 -16.713 1.406 -5.445 72 HB VAL 10 HB VAL 10 -15.183 1.519 -3.535 73 HG11 VAL 10 1HG1 VAL 10 -14.584 -1.037 -3.998 74 HG12 VAL 10 2HG1 VAL 10 -13.223 -0.278 -4.825 75 HG13 VAL 10 3HG1 VAL 10 -13.511 0.051 -3.117 76 HG21 VAL 10 3HG2 VAL 10 -14.779 2.544 -5.954 77 HG22 VAL 10 1HG2 VAL 10 -13.631 2.768 -4.635 78 HG23 VAL 10 2HG2 VAL 10 -13.338 1.531 -5.857 79 H GLU 11 HN GLU 11 -16.125 1.486 -7.552 80 HA GLU 11 HA GLU 11 -15.785 -1.000 -8.947 81 HB2 GLU 11 2HB GLU 11 -15.604 0.523 -10.966 82 HB3 GLU 11 3HB GLU 11 -17.104 0.628 -10.054 83 HG2 GLU 11 2HG GLU 11 -16.503 2.690 -9.102 84 HG3 GLU 11 3HG GLU 11 -14.821 2.519 -9.602 85 H ILE 12 HN ILE 12 -13.916 -2.004 -9.216 86 HA ILE 12 HA ILE 12 -11.413 -0.652 -8.724 87 HB ILE 12 HB ILE 12 -11.880 -3.494 -9.631 88 HG12 ILE 12 2HG1 ILE 12 -12.984 -2.909 -7.463 89 HG13 ILE 12 3HG1 ILE 12 -11.733 -4.140 -7.314 90 HG21 ILE 12 1HG2 ILE 12 -9.484 -1.925 -8.953 91 HG22 ILE 12 2HG2 ILE 12 -9.569 -3.536 -8.244 92 HG23 ILE 12 3HG2 ILE 12 -9.662 -3.338 -9.994 93 HD11 ILE 12 3HD1 ILE 12 -11.984 -1.758 -5.868 94 HD12 ILE 12 1HD1 ILE 12 -10.656 -2.918 -5.822 95 HD13 ILE 12 2HD1 ILE 12 -10.589 -1.545 -6.927 96 H THR 13 HN THR 13 -10.991 0.773 -10.362 97 HA THR 13 HA THR 13 -11.085 -0.164 -13.125 98 HB THR 13 HB THR 13 -10.241 2.335 -13.424 99 HG1 THR 13 1HG THR 13 -10.087 2.513 -11.057 100 HG21 THR 13 3HG2 THR 13 -12.258 2.516 -14.295 101 HG22 THR 13 1HG2 THR 13 -12.922 2.744 -12.677 102 HG23 THR 13 2HG2 THR 13 -12.812 1.123 -13.365 103 H GLU 14 HN GLU 14 -9.314 -0.438 -14.412 104 HA GLU 14 HA GLU 14 -6.979 -1.412 -13.543 105 HB2 GLU 14 2HB GLU 14 -7.892 -0.992 -15.966 106 HB3 GLU 14 3HB GLU 14 -6.843 0.417 -15.904 107 HG2 GLU 14 2HG GLU 14 -5.345 -1.023 -16.758 108 HG3 GLU 14 3HG GLU 14 -5.119 -1.446 -15.062 109 H ALA 15 HN ALA 15 -7.691 2.034 -13.828 110 HA ALA 15 HA ALA 15 -5.043 2.930 -13.340 111 HB1 ALA 15 1HB ALA 15 -7.718 4.150 -13.519 112 HB2 ALA 15 2HB ALA 15 -6.545 5.020 -12.529 113 HB3 ALA 15 3HB ALA 15 -6.183 4.664 -14.219 114 H LEU 16 HN LEU 16 -7.887 2.546 -11.247 115 HA LEU 16 HA LEU 16 -6.780 3.494 -8.875 116 HB2 LEU 16 2HB LEU 16 -9.177 2.989 -9.241 117 HB3 LEU 16 3HB LEU 16 -8.803 1.277 -9.198 118 HG LEU 16 HG LEU 16 -7.768 2.021 -6.824 119 HD11 LEU 16 1HD1 LEU 16 -9.503 4.198 -7.658 120 HD12 LEU 16 2HD1 LEU 16 -9.995 3.485 -6.122 121 HD13 LEU 16 3HD1 LEU 16 -8.359 4.110 -6.320 122 HD21 LEU 16 3HD2 LEU 16 -10.686 1.600 -6.779 123 HD22 LEU 16 1HD2 LEU 16 -9.743 0.401 -7.662 124 HD23 LEU 16 2HD2 LEU 16 -9.395 0.715 -5.963 125 H ARG 17 HN ARG 17 -7.285 0.049 -9.634 126 HA ARG 17 HA ARG 17 -5.776 -1.057 -7.637 127 HB2 ARG 17 2HB ARG 17 -5.375 -2.982 -9.233 128 HB3 ARG 17 3HB ARG 17 -7.053 -2.513 -9.002 129 HG2 ARG 17 2HG ARG 17 -7.311 -2.157 -11.168 130 HG3 ARG 17 3HG ARG 17 -5.932 -1.059 -11.203 131 HD2 ARG 17 2HD ARG 17 -5.912 -4.052 -11.531 132 HD3 ARG 17 3HD ARG 17 -5.494 -2.837 -12.737 133 HE ARG 17 HE ARG 17 -3.834 -2.653 -10.428 134 HH11 ARG 17 2HH1 ARG 17 -4.322 -4.449 -13.379 135 HH12 ARG 17 1HH1 ARG 17 -2.664 -4.931 -13.505 136 HH21 ARG 17 2HH2 ARG 17 -1.654 -3.288 -10.591 137 HH22 ARG 17 1HH2 ARG 17 -1.149 -4.272 -11.922 138 H GLU 18 HN GLU 18 -4.636 0.250 -10.703 139 HA GLU 18 HA GLU 18 -1.976 -0.627 -10.550 140 HB2 GLU 18 2HB GLU 18 -2.970 0.299 -12.596 141 HB3 GLU 18 3HB GLU 18 -3.079 1.882 -11.833 142 HG2 GLU 18 2HG GLU 18 -1.189 1.810 -13.319 143 HG3 GLU 18 3HG GLU 18 -0.634 1.946 -11.652 144 H PHE 19 HN PHE 19 -3.511 2.367 -9.410 145 HA PHE 19 HA PHE 19 -1.264 3.710 -8.506 146 HB2 PHE 19 2HB PHE 19 -3.570 4.649 -8.609 147 HB3 PHE 19 3HB PHE 19 -3.987 3.702 -7.185 148 HD1 PHE 19 2HD PHE 19 -1.437 6.177 -8.319 149 HD2 PHE 19 1HD PHE 19 -3.839 4.709 -5.127 150 HE1 PHE 19 2HE PHE 19 -0.630 8.000 -6.877 151 HE2 PHE 19 1HE PHE 19 -3.037 6.530 -3.680 152 HZ PHE 19 HZ PHE 19 -1.429 8.178 -4.555 153 H VAL 20 HN VAL 20 -3.297 1.368 -6.762 154 HA VAL 20 HA VAL 20 -1.924 1.489 -4.313 155 HB VAL 20 HB VAL 20 -3.283 -0.975 -5.400 156 HG11 VAL 20 1HG1 VAL 20 -2.870 0.061 -2.598 157 HG12 VAL 20 2HG1 VAL 20 -3.789 -1.382 -3.027 158 HG13 VAL 20 3HG1 VAL 20 -2.053 -1.316 -3.339 159 HG21 VAL 20 3HG2 VAL 20 -5.055 0.406 -5.674 160 HG22 VAL 20 1HG2 VAL 20 -5.207 0.189 -3.930 161 HG23 VAL 20 2HG2 VAL 20 -4.412 1.625 -4.575 162 H THR 21 HN THR 21 -1.601 -0.808 -7.017 163 HA THR 21 HA THR 21 0.548 -2.258 -5.912 164 HB THR 21 HB THR 21 0.113 -1.915 -8.869 165 HG1 THR 21 1HG THR 21 -1.370 -3.637 -7.180 166 HG21 THR 21 3HG2 THR 21 1.373 -3.715 -9.097 167 HG22 THR 21 1HG2 THR 21 0.398 -4.608 -7.930 168 HG23 THR 21 2HG2 THR 21 1.746 -3.613 -7.377 169 H ALA 22 HN ALA 22 0.383 0.699 -7.760 170 HA ALA 22 HA ALA 22 3.031 0.891 -8.630 171 HB1 ALA 22 1HB ALA 22 2.437 3.476 -8.243 172 HB2 ALA 22 2HB ALA 22 1.813 2.535 -9.597 173 HB3 ALA 22 3HB ALA 22 0.814 2.789 -8.166 174 H LYS 23 HN LYS 23 1.533 1.954 -5.592 175 HA LYS 23 HA LYS 23 3.859 3.117 -4.490 176 HB2 LYS 23 2HB LYS 23 1.521 1.897 -3.010 177 HB3 LYS 23 3HB LYS 23 2.671 3.063 -2.370 178 HG2 LYS 23 2HG LYS 23 1.141 3.818 -4.796 179 HG3 LYS 23 3HG LYS 23 0.287 3.780 -3.252 180 HD2 LYS 23 2HD LYS 23 1.499 5.514 -2.382 181 HD3 LYS 23 3HD LYS 23 2.919 5.158 -3.366 182 HE2 LYS 23 2HE LYS 23 1.687 5.978 -5.354 183 HE3 LYS 23 3HE LYS 23 0.351 6.433 -4.297 184 HZ1 LYS 23 3HZ LYS 23 3.118 7.491 -4.084 185 HZ2 LYS 23 1HZ LYS 23 1.786 7.971 -3.157 186 HZ3 LYS 23 2HZ LYS 23 1.825 8.301 -4.814 187 H PHE 24 HN PHE 24 2.340 -0.059 -3.927 188 HA PHE 24 HA PHE 24 4.207 -1.111 -2.173 189 HB2 PHE 24 2HB PHE 24 2.213 -2.226 -4.048 190 HB3 PHE 24 3HB PHE 24 3.504 -3.327 -3.577 191 HD1 PHE 24 2HD PHE 24 3.836 -3.877 -1.183 192 HD2 PHE 24 1HD PHE 24 0.487 -1.635 -2.545 193 HE1 PHE 24 2HE PHE 24 2.668 -4.347 0.931 194 HE2 PHE 24 1HE PHE 24 -0.688 -2.098 -0.433 195 HZ PHE 24 HZ PHE 24 0.402 -3.456 1.308 196 H ALA 25 HN ALA 25 4.218 -1.146 -5.720 197 HA ALA 25 HA ALA 25 6.452 -2.712 -6.176 198 HB1 ALA 25 1HB ALA 25 6.204 -0.342 -7.909 199 HB2 ALA 25 2HB ALA 25 6.270 -2.054 -8.326 200 HB3 ALA 25 3HB ALA 25 4.759 -1.340 -7.765 201 H LYS 26 HN LYS 26 6.368 0.849 -5.883 202 HA LYS 26 HA LYS 26 9.089 1.326 -6.032 203 HB2 LYS 26 2HB LYS 26 7.081 2.971 -5.890 204 HB3 LYS 26 3HB LYS 26 7.343 2.887 -4.152 205 HG2 LYS 26 2HG LYS 26 9.685 3.464 -5.882 206 HG3 LYS 26 3HG LYS 26 8.481 4.735 -5.655 207 HD2 LYS 26 2HD LYS 26 9.349 3.326 -3.213 208 HD3 LYS 26 3HD LYS 26 10.567 4.333 -3.997 209 HE2 LYS 26 2HE LYS 26 8.895 6.198 -3.998 210 HE3 LYS 26 3HE LYS 26 7.847 5.176 -3.014 211 HZ1 LYS 26 3HZ LYS 26 10.571 5.503 -2.058 212 HZ2 LYS 26 1HZ LYS 26 9.114 5.480 -1.196 213 HZ3 LYS 26 2HZ LYS 26 9.603 6.888 -1.996 214 H LEU 27 HN LEU 27 7.203 0.049 -3.404 215 HA LEU 27 HA LEU 27 9.269 0.424 -1.424 216 HB2 LEU 27 2HB LEU 27 6.576 -0.869 -1.481 217 HB3 LEU 27 3HB LEU 27 7.691 -1.295 -0.197 218 HG LEU 27 HG LEU 27 7.867 1.259 0.201 219 HD11 LEU 27 1HD1 LEU 27 5.230 1.138 -1.256 220 HD12 LEU 27 2HD1 LEU 27 5.922 2.539 -0.436 221 HD13 LEU 27 3HD1 LEU 27 6.701 1.887 -1.877 222 HD21 LEU 27 3HD2 LEU 27 6.451 -0.716 1.387 223 HD22 LEU 27 1HD2 LEU 27 6.488 0.953 1.954 224 HD23 LEU 27 2HD2 LEU 27 5.155 0.395 0.945 225 H GLU 28 HN GLU 28 8.267 -2.020 -3.674 226 HA GLU 28 HA GLU 28 9.512 -4.266 -2.559 227 HB2 GLU 28 2HB GLU 28 8.130 -3.623 -4.947 228 HB3 GLU 28 3HB GLU 28 9.646 -4.377 -5.420 229 HG2 GLU 28 2HG GLU 28 9.076 -6.216 -3.771 230 HG3 GLU 28 3HG GLU 28 7.463 -5.509 -3.702 231 H GLN 29 HN GLN 29 10.912 -1.458 -3.863 232 HA GLN 29 HA GLN 29 13.280 -2.611 -4.949 233 HB2 GLN 29 2HB GLN 29 12.358 -0.320 -5.487 234 HB3 GLN 29 3HB GLN 29 12.940 0.202 -3.913 235 HG2 GLN 29 2HG GLN 29 14.834 -1.111 -5.797 236 HG3 GLN 29 3HG GLN 29 14.373 0.571 -6.061 237 HE21 GLN 29 1HE2 GLN 29 16.591 -1.383 -4.643 238 HE22 GLN 29 2HE2 GLN 29 17.201 -0.309 -3.436 239 H TYR 30 HN TYR 30 12.634 -0.853 -1.910 240 HA TYR 30 HA TYR 30 15.185 -1.804 -0.857 241 HB2 TYR 30 2HB TYR 30 14.381 -0.347 1.170 242 HB3 TYR 30 3HB TYR 30 15.010 0.420 -0.281 243 HD1 TYR 30 1HD TYR 30 11.794 -0.631 1.293 244 HD2 TYR 30 2HD TYR 30 13.769 2.081 -1.323 245 HE1 TYR 30 1HE TYR 30 9.728 0.688 1.106 246 HE2 TYR 30 2HE TYR 30 11.707 3.405 -1.519 247 HH TYR 30 HH TYR 30 9.326 3.158 -1.230 248 H PHE 31 HN PHE 31 11.748 -2.294 -0.427 249 HA PHE 31 HA PHE 31 12.200 -3.948 1.934 250 HB2 PHE 31 2HB PHE 31 9.679 -3.090 0.508 251 HB3 PHE 31 3HB PHE 31 9.683 -4.216 1.858 252 HD1 PHE 31 1HD PHE 31 12.027 -2.658 3.279 253 HD2 PHE 31 2HD PHE 31 8.253 -1.533 1.671 254 HE1 PHE 31 1HE PHE 31 11.926 -0.773 4.852 255 HE2 PHE 31 2HE PHE 31 8.146 0.358 3.238 256 HZ PHE 31 HZ PHE 31 9.983 0.741 4.832 257 H ASP 32 HN ASP 32 12.677 -6.016 1.734 258 HA ASP 32 HA ASP 32 11.832 -7.437 -0.699 259 HB2 ASP 32 2HB ASP 32 14.188 -7.789 1.136 260 HB3 ASP 32 3HB ASP 32 13.661 -9.093 0.077 261 H ARG 33 HN ARG 33 10.769 -7.026 2.327 262 HA ARG 33 HA ARG 33 10.159 -9.848 2.827 263 HB2 ARG 33 2HB ARG 33 9.529 -7.521 4.635 264 HB3 ARG 33 3HB ARG 33 9.603 -9.227 5.055 265 HG2 ARG 33 2HG ARG 33 12.027 -7.779 4.060 266 HG3 ARG 33 3HG ARG 33 11.544 -7.702 5.756 267 HD2 ARG 33 2HD ARG 33 12.731 -9.575 6.015 268 HD3 ARG 33 3HD ARG 33 11.393 -10.386 5.203 269 HE ARG 33 HE ARG 33 13.369 -9.301 3.414 270 HH11 ARG 33 2HH1 ARG 33 12.442 -12.064 5.334 271 HH12 ARG 33 1HH1 ARG 33 13.362 -13.186 4.389 272 HH21 ARG 33 2HH2 ARG 33 14.581 -10.775 2.172 273 HH22 ARG 33 1HH2 ARG 33 14.577 -12.455 2.595 274 H ILE 34 HN ILE 34 8.796 -9.263 0.713 275 HA ILE 34 HA ILE 34 6.053 -8.934 1.681 276 HB ILE 34 HB ILE 34 7.038 -7.567 -0.823 277 HG12 ILE 34 2HG1 ILE 34 6.212 -5.573 0.865 278 HG13 ILE 34 3HG1 ILE 34 6.980 -6.692 1.987 279 HG21 ILE 34 1HG2 ILE 34 4.700 -6.382 -0.172 280 HG22 ILE 34 2HG2 ILE 34 4.842 -7.743 -1.284 281 HG23 ILE 34 3HG2 ILE 34 4.403 -8.023 0.402 282 HD11 ILE 34 3HD1 ILE 34 8.255 -4.755 0.568 283 HD12 ILE 34 1HD1 ILE 34 9.026 -6.179 1.268 284 HD13 ILE 34 2HD1 ILE 34 8.539 -6.184 -0.427 285 H ASN 35 HN ASN 35 5.276 -10.928 1.293 286 HA ASN 35 HA ASN 35 5.786 -12.118 -1.352 287 HB2 ASN 35 2HB ASN 35 5.042 -14.276 -0.146 288 HB3 ASN 35 3HB ASN 35 6.642 -13.637 0.219 289 HD21 ASN 35 1HD2 ASN 35 3.794 -14.763 1.506 290 HD22 ASN 35 2HD2 ASN 35 3.982 -14.187 3.124 291 H GLN 36 HN GLN 36 3.283 -11.989 1.191 292 HA GLN 36 HA GLN 36 1.261 -11.944 -0.949 293 HB2 GLN 36 2HB GLN 36 1.226 -14.119 0.167 294 HB3 GLN 36 3HB GLN 36 1.066 -13.331 1.730 295 HG2 GLN 36 2HG GLN 36 -1.107 -12.451 1.080 296 HG3 GLN 36 3HG GLN 36 -0.946 -13.206 -0.505 297 HE21 GLN 36 1HE2 GLN 36 -0.504 -14.210 2.875 298 HE22 GLN 36 2HE2 GLN 36 -1.439 -15.656 2.745 299 H VAL 37 HN VAL 37 0.263 -10.035 -0.981 300 HA VAL 37 HA VAL 37 -0.282 -8.710 1.592 301 HB VAL 37 HB VAL 37 0.176 -7.167 -0.946 302 HG11 VAL 37 1HG1 VAL 37 1.017 -5.683 1.216 303 HG12 VAL 37 2HG1 VAL 37 -0.545 -5.550 0.410 304 HG13 VAL 37 3HG1 VAL 37 -0.377 -6.562 1.844 305 HG21 VAL 37 3HG2 VAL 37 2.182 -8.562 -0.475 306 HG22 VAL 37 1HG2 VAL 37 2.481 -6.826 -0.375 307 HG23 VAL 37 2HG2 VAL 37 2.303 -7.777 1.100 308 H TYR 38 HN TYR 38 -2.320 -8.032 1.918 309 HA TYR 38 HA TYR 38 -4.154 -8.007 -0.376 310 HB2 TYR 38 2HB TYR 38 -5.892 -8.770 1.464 311 HB3 TYR 38 3HB TYR 38 -4.924 -9.946 0.583 312 HD1 TYR 38 1HD TYR 38 -2.658 -10.611 1.722 313 HD2 TYR 38 2HD TYR 38 -5.950 -8.867 3.779 314 HE1 TYR 38 1HE TYR 38 -1.803 -11.513 3.841 315 HE2 TYR 38 2HE TYR 38 -5.103 -9.764 5.906 316 HH TYR 38 HH TYR 38 -2.025 -10.891 6.331 317 H VAL 39 HN VAL 39 -5.198 -6.174 -0.610 318 HA VAL 39 HA VAL 39 -5.495 -4.399 1.727 319 HB VAL 39 HB VAL 39 -5.064 -3.457 -1.107 320 HG11 VAL 39 1HG1 VAL 39 -6.268 -2.008 0.625 321 HG12 VAL 39 2HG1 VAL 39 -4.701 -1.885 1.425 322 HG13 VAL 39 3HG1 VAL 39 -4.897 -1.295 -0.225 323 HG21 VAL 39 3HG2 VAL 39 -2.783 -2.946 -0.510 324 HG22 VAL 39 1HG2 VAL 39 -3.038 -3.556 1.125 325 HG23 VAL 39 2HG2 VAL 39 -3.083 -4.663 -0.246 326 H VAL 40 HN VAL 40 -7.395 -3.256 1.926 327 HA VAL 40 HA VAL 40 -9.443 -3.597 -0.138 328 HB VAL 40 HB VAL 40 -10.026 -4.148 2.776 329 HG11 VAL 40 1HG1 VAL 40 -12.199 -4.456 2.195 330 HG12 VAL 40 2HG1 VAL 40 -11.759 -3.306 0.932 331 HG13 VAL 40 3HG1 VAL 40 -11.800 -5.035 0.577 332 HG21 VAL 40 3HG2 VAL 40 -10.093 -6.476 2.288 333 HG22 VAL 40 1HG2 VAL 40 -9.858 -6.187 0.565 334 HG23 VAL 40 2HG2 VAL 40 -8.547 -5.869 1.699 335 H LEU 41 HN LEU 41 -10.675 -1.885 -0.433 336 HA LEU 41 HA LEU 41 -10.616 0.254 1.570 337 HB2 LEU 41 2HB LEU 41 -10.668 1.768 -0.585 338 HB3 LEU 41 3HB LEU 41 -9.160 1.208 0.110 339 HG LEU 41 HG LEU 41 -9.188 1.031 -2.341 340 HD11 LEU 41 1HD1 LEU 41 -7.853 -0.734 -2.252 341 HD12 LEU 41 2HD1 LEU 41 -8.289 -0.837 -0.546 342 HD13 LEU 41 3HD1 LEU 41 -9.161 -1.801 -1.737 343 HD21 LEU 41 3HD2 LEU 41 -10.646 -0.349 -3.539 344 HD22 LEU 41 1HD2 LEU 41 -11.237 -1.138 -2.078 345 HD23 LEU 41 2HD2 LEU 41 -11.682 0.534 -2.418 346 H LYS 42 HN LYS 42 -12.547 0.986 2.119 347 HA LYS 42 HA LYS 42 -14.843 0.283 0.431 348 HB2 LYS 42 2HB LYS 42 -15.005 -0.560 2.692 349 HB3 LYS 42 3HB LYS 42 -14.683 1.037 3.353 350 HG2 LYS 42 2HG LYS 42 -16.797 1.838 2.363 351 HG3 LYS 42 3HG LYS 42 -17.125 0.196 1.806 352 HD2 LYS 42 2HD LYS 42 -18.307 0.665 3.889 353 HD3 LYS 42 3HD LYS 42 -17.096 -0.598 4.121 354 HE2 LYS 42 2HE LYS 42 -15.728 0.758 5.379 355 HE3 LYS 42 3HE LYS 42 -16.342 2.238 4.645 356 HZ1 LYS 42 3HZ LYS 42 -17.050 1.920 6.971 357 HZ2 LYS 42 1HZ LYS 42 -17.897 0.530 6.510 358 HZ3 LYS 42 2HZ LYS 42 -18.353 2.040 5.900 359 H VAL 43 HN VAL 43 -16.203 1.806 -0.375 360 HA VAL 43 HA VAL 43 -15.492 4.620 0.146 361 HB VAL 43 HB VAL 43 -16.563 3.484 -2.440 362 HG11 VAL 43 1HG1 VAL 43 -15.485 6.234 -1.831 363 HG12 VAL 43 2HG1 VAL 43 -16.142 5.671 -3.368 364 HG13 VAL 43 3HG1 VAL 43 -17.196 5.829 -1.962 365 HG21 VAL 43 3HG2 VAL 43 -14.275 4.069 -3.299 366 HG22 VAL 43 1HG2 VAL 43 -13.775 4.274 -1.620 367 HG23 VAL 43 2HG2 VAL 43 -14.330 2.700 -2.189 368 H GLU 44 HN GLU 44 -17.019 5.484 1.375 369 HA GLU 44 HA GLU 44 -19.825 5.060 0.608 370 HB2 GLU 44 2HB GLU 44 -20.321 5.374 3.112 371 HB3 GLU 44 3HB GLU 44 -19.704 3.816 2.584 372 HG2 GLU 44 2HG GLU 44 -17.464 4.458 3.315 373 HG3 GLU 44 3HG GLU 44 -18.091 6.017 3.850 374 H LYS 45 HN LYS 45 -21.237 6.820 1.015 375 HA LYS 45 HA LYS 45 -20.296 9.310 0.308 376 HB2 LYS 45 2HB LYS 45 -22.674 8.530 0.239 377 HB3 LYS 45 3HB LYS 45 -22.763 8.805 1.973 378 HG2 LYS 45 2HG LYS 45 -21.768 11.118 0.517 379 HG3 LYS 45 3HG LYS 45 -23.382 10.622 0.009 380 HD2 LYS 45 2HD LYS 45 -24.320 11.127 2.021 381 HD3 LYS 45 3HD LYS 45 -22.859 10.721 2.925 382 HE2 LYS 45 2HE LYS 45 -22.029 12.885 1.503 383 HE3 LYS 45 3HE LYS 45 -23.727 13.280 1.774 384 HZ1 LYS 45 3HZ LYS 45 -21.859 13.878 3.515 385 HZ2 LYS 45 1HZ LYS 45 -22.193 12.312 4.062 386 HZ3 LYS 45 2HZ LYS 45 -23.426 13.467 3.998 387 H VAL 46 HN VAL 46 -20.206 7.837 3.436 388 HA VAL 46 HA VAL 46 -19.925 10.350 4.837 389 HB VAL 46 HB VAL 46 -19.561 7.539 5.871 390 HG11 VAL 46 1HG1 VAL 46 -20.337 9.549 7.800 391 HG12 VAL 46 2HG1 VAL 46 -19.007 8.393 7.851 392 HG13 VAL 46 3HG1 VAL 46 -18.798 9.942 7.036 393 HG21 VAL 46 3HG2 VAL 46 -21.941 9.318 5.603 394 HG22 VAL 46 1HG2 VAL 46 -21.791 7.588 5.295 395 HG23 VAL 46 2HG2 VAL 46 -21.843 8.188 6.954 396 H THR 47 HN THR 47 -17.803 7.556 5.339 397 HA THR 47 HA THR 47 -15.501 9.263 4.671 398 HB THR 47 HB THR 47 -15.471 7.332 6.980 399 HG1 THR 47 1HG THR 47 -15.990 9.007 8.320 400 HG21 THR 47 3HG2 THR 47 -13.689 8.890 7.787 401 HG22 THR 47 1HG2 THR 47 -13.733 9.649 6.197 402 HG23 THR 47 2HG2 THR 47 -13.280 7.953 6.351 403 H HIS 48 HN HIS 48 -13.580 8.160 4.034 404 HA HIS 48 HA HIS 48 -14.145 5.571 2.786 405 HB2 HIS 48 2HB HIS 48 -11.804 7.439 2.353 406 HB3 HIS 48 3HB HIS 48 -12.173 5.999 1.409 407 HD1 HIS 48 1HD HIS 48 -12.723 6.976 -0.822 408 HD2 HIS 48 2HD HIS 48 -14.734 8.882 2.274 409 HE1 HIS 48 1HE HIS 48 -14.333 8.553 -1.938 410 HE2 HIS 48 2HE HIS 48 -15.604 9.626 -0.045 411 H THR 49 HN THR 49 -13.149 3.722 3.386 412 HA THR 49 HA THR 49 -11.025 3.933 5.423 413 HB THR 49 HB THR 49 -13.182 1.821 5.256 414 HG1 THR 49 1HG THR 49 -12.844 4.066 6.939 415 HG21 THR 49 3HG2 THR 49 -12.391 0.925 7.269 416 HG22 THR 49 1HG2 THR 49 -11.293 2.279 7.536 417 HG23 THR 49 2HG2 THR 49 -10.964 1.119 6.248 418 H SER 50 HN SER 50 -9.268 2.640 5.229 419 HA SER 50 HA SER 50 -9.231 0.617 3.108 420 HB2 SER 50 2HB SER 50 -7.226 1.441 2.129 421 HB3 SER 50 3HB SER 50 -8.278 2.844 2.302 422 HG SER 50 HG SER 50 -7.131 3.341 4.237 423 H ASP 51 HN ASP 51 -7.852 -1.115 3.476 424 HA ASP 51 HA ASP 51 -6.370 -1.085 6.017 425 HB2 ASP 51 2HB ASP 51 -7.087 -3.438 6.398 426 HB3 ASP 51 3HB ASP 51 -8.422 -2.292 6.440 427 H ALA 52 HN ALA 52 -4.480 -2.283 6.092 428 HA ALA 52 HA ALA 52 -3.627 -3.567 3.587 429 HB1 ALA 52 1HB ALA 52 -2.590 -1.439 3.490 430 HB2 ALA 52 2HB ALA 52 -2.102 -1.522 5.182 431 HB3 ALA 52 3HB ALA 52 -1.343 -2.579 3.992 432 H THR 53 HN THR 53 -2.384 -5.370 3.800 433 HA THR 53 HA THR 53 -1.454 -6.140 6.470 434 HB THR 53 HB THR 53 -2.740 -8.294 4.891 435 HG1 THR 53 1HG THR 53 -4.433 -6.991 4.700 436 HG21 THR 53 3HG2 THR 53 -2.545 -7.588 7.796 437 HG22 THR 53 1HG2 THR 53 -1.909 -9.002 6.956 438 HG23 THR 53 2HG2 THR 53 -3.647 -8.830 7.200 439 H LEU 54 HN LEU 54 0.682 -6.300 6.119 440 HA LEU 54 HA LEU 54 1.614 -7.594 3.658 441 HB2 LEU 54 2HB LEU 54 2.828 -5.674 5.594 442 HB3 LEU 54 3HB LEU 54 3.888 -6.724 4.670 443 HG LEU 54 HG LEU 54 2.396 -5.764 2.659 444 HD11 LEU 54 1HD1 LEU 54 1.368 -4.293 4.679 445 HD12 LEU 54 2HD1 LEU 54 2.669 -3.236 4.131 446 HD13 LEU 54 3HD1 LEU 54 1.427 -3.766 2.997 447 HD21 LEU 54 3HD2 LEU 54 4.900 -4.814 3.954 448 HD22 LEU 54 1HD2 LEU 54 4.658 -5.564 2.376 449 HD23 LEU 54 2HD2 LEU 54 4.223 -3.872 2.626 450 H HIS 55 HN HIS 55 3.021 -9.333 3.683 451 HA HIS 55 HA HIS 55 3.117 -10.802 6.232 452 HB2 HIS 55 2HB HIS 55 2.900 -11.663 3.379 453 HB3 HIS 55 3HB HIS 55 3.687 -12.741 4.527 454 HD1 HIS 55 1HD HIS 55 2.130 -14.381 5.499 455 HD2 HIS 55 2HD HIS 55 0.207 -10.824 4.544 456 HE1 HIS 55 1HE HIS 55 -0.285 -14.740 6.102 457 HE2 HIS 55 2HE HIS 55 -1.439 -12.592 5.468 458 H VAL 56 HN VAL 56 5.013 -11.573 7.036 459 HA VAL 56 HA VAL 56 7.466 -11.119 5.486 460 HB VAL 56 HB VAL 56 7.183 -10.360 8.397 461 HG11 VAL 56 1HG1 VAL 56 9.442 -10.535 6.508 462 HG12 VAL 56 2HG1 VAL 56 9.397 -9.108 7.542 463 HG13 VAL 56 3HG1 VAL 56 9.409 -10.718 8.260 464 HG21 VAL 56 3HG2 VAL 56 6.022 -8.639 7.439 465 HG22 VAL 56 1HG2 VAL 56 7.666 -8.022 7.267 466 HG23 VAL 56 2HG2 VAL 56 6.864 -8.786 5.895 467 H ASN 57 HN ASN 57 9.255 -12.428 6.115 468 HA ASN 57 HA ASN 57 8.602 -15.068 6.767 469 HB2 ASN 57 2HB ASN 57 11.219 -13.578 6.683 470 HB3 ASN 57 3HB ASN 57 11.139 -15.283 7.117 471 HD21 ASN 57 1HD2 ASN 57 11.626 -16.543 5.488 472 HD22 ASN 57 2HD2 ASN 57 11.226 -16.275 3.828 473 H GLY 58 HN GLY 58 7.689 -15.558 8.679 474 HA2 GLY 58 2HA GLY 58 7.982 -16.234 10.924 475 HA3 GLY 58 3HA GLY 58 9.288 -15.069 11.080 476 H GLY 59 HN GLY 59 7.382 -13.048 9.735 477 HA2 GLY 59 2HA GLY 59 5.512 -12.641 11.961 478 HA3 GLY 59 3HA GLY 59 6.690 -11.382 11.622 479 H GLU 60 HN GLU 60 3.877 -11.045 11.566 480 HA GLU 60 HA GLU 60 3.580 -10.186 8.785 481 HB2 GLU 60 2HB GLU 60 1.710 -11.975 10.299 482 HB3 GLU 60 3HB GLU 60 1.078 -10.878 9.080 483 HG2 GLU 60 2HG GLU 60 1.825 -12.131 7.392 484 HG3 GLU 60 3HG GLU 60 3.373 -12.435 8.177 485 H ILE 61 HN ILE 61 2.874 -8.147 8.634 486 HA ILE 61 HA ILE 61 1.921 -6.847 11.086 487 HB ILE 61 HB ILE 61 2.821 -5.479 8.554 488 HG12 ILE 61 2HG1 ILE 61 4.906 -5.075 10.161 489 HG13 ILE 61 3HG1 ILE 61 4.389 -6.623 10.821 490 HG21 ILE 61 1HG2 ILE 61 2.727 -3.513 9.710 491 HG22 ILE 61 2HG2 ILE 61 1.426 -4.391 10.513 492 HG23 ILE 61 3HG2 ILE 61 3.015 -4.287 11.268 493 HD11 ILE 61 3HD1 ILE 61 6.126 -6.404 8.819 494 HD12 ILE 61 1HD1 ILE 61 5.021 -7.770 8.981 495 HD13 ILE 61 2HD1 ILE 61 4.631 -6.445 7.884 496 H HIS 62 HN HIS 62 -0.014 -5.793 11.198 497 HA HIS 62 HA HIS 62 -1.686 -5.722 8.788 498 HB2 HIS 62 2HB HIS 62 -2.241 -7.708 10.258 499 HB3 HIS 62 3HB HIS 62 -2.732 -6.559 11.497 500 HD1 HIS 62 1HD HIS 62 -5.157 -7.537 11.338 501 HD2 HIS 62 2HD HIS 62 -3.785 -5.697 7.875 502 HE1 HIS 62 1HE HIS 62 -7.197 -7.188 9.908 503 HE2 HIS 62 2HE HIS 62 -6.352 -6.000 7.853 504 H ALA 63 HN ALA 63 -2.088 -3.628 8.443 505 HA ALA 63 HA ALA 63 -2.943 -1.987 10.726 506 HB1 ALA 63 1HB ALA 63 -0.908 -1.012 10.598 507 HB2 ALA 63 2HB ALA 63 -0.655 -1.510 8.924 508 HB3 ALA 63 3HB ALA 63 -1.671 -0.115 9.284 509 H SER 64 HN SER 64 -4.089 0.011 10.042 510 HA SER 64 HA SER 64 -5.288 -0.142 7.382 511 HB2 SER 64 2HB SER 64 -7.549 0.086 8.267 512 HB3 SER 64 3HB SER 64 -6.799 -1.367 8.929 513 HG SER 64 HG SER 64 -7.387 -0.519 10.765 514 H ALA 65 HN ALA 65 -6.155 1.855 6.641 515 HA ALA 65 HA ALA 65 -5.688 4.187 8.347 516 HB1 ALA 65 1HB ALA 65 -3.763 3.509 6.620 517 HB2 ALA 65 2HB ALA 65 -4.777 4.477 5.552 518 HB3 ALA 65 3HB ALA 65 -4.136 5.181 7.037 519 H GLU 66 HN GLU 66 -6.844 6.048 7.768 520 HA GLU 66 HA GLU 66 -9.003 5.599 5.812 521 HB2 GLU 66 2HB GLU 66 -10.471 6.943 7.221 522 HB3 GLU 66 3HB GLU 66 -9.837 5.576 8.128 523 HG2 GLU 66 2HG GLU 66 -8.047 7.226 8.953 524 HG3 GLU 66 3HG GLU 66 -9.146 8.475 8.368 525 H GLY 67 HN GLY 67 -9.720 7.423 4.615 526 HA2 GLY 67 2HA GLY 67 -8.194 9.893 4.860 527 HA3 GLY 67 3HA GLY 67 -7.968 8.991 3.370 528 H GLN 68 HN GLN 68 -8.958 11.609 3.473 529 HA GLN 68 HA GLN 68 -11.737 11.844 3.445 530 HB2 GLN 68 2HB GLN 68 -10.115 13.734 3.469 531 HB3 GLN 68 3HB GLN 68 -9.766 13.411 1.776 532 HG2 GLN 68 2HG GLN 68 -11.342 14.924 1.359 533 HG3 GLN 68 3HG GLN 68 -12.480 13.636 1.749 534 HE21 GLN 68 1HE2 GLN 68 -13.971 14.146 3.168 535 HE22 GLN 68 2HE2 GLN 68 -13.843 15.353 4.400 536 H ASP 69 HN ASP 69 -9.670 10.274 1.209 537 HA ASP 69 HA ASP 69 -11.934 9.632 -0.468 538 HB2 ASP 69 2HB ASP 69 -10.480 10.201 -2.547 539 HB3 ASP 69 3HB ASP 69 -11.356 11.498 -1.741 540 H MET 70 HN MET 70 -11.226 8.052 -2.238 541 HA MET 70 HA MET 70 -9.984 5.850 -1.042 542 HB2 MET 70 2HB MET 70 -11.591 5.798 -2.975 543 HB3 MET 70 3HB MET 70 -10.269 6.316 -4.012 544 HG2 MET 70 2HG MET 70 -9.737 4.194 -4.300 545 HG3 MET 70 3HG MET 70 -9.280 4.123 -2.600 546 HE1 MET 70 3HE MET 70 -11.893 1.216 -4.275 547 HE2 MET 70 1HE MET 70 -11.546 2.613 -5.293 548 HE3 MET 70 2HE MET 70 -10.229 1.759 -4.492 549 H TYR 71 HN TYR 71 -8.606 8.574 -2.619 550 HA TYR 71 HA TYR 71 -6.114 7.236 -3.250 551 HB2 TYR 71 2HB TYR 71 -6.936 10.140 -3.434 552 HB3 TYR 71 3HB TYR 71 -5.373 9.516 -3.948 553 HD1 TYR 71 1HD TYR 71 -5.719 7.285 -5.526 554 HD2 TYR 71 2HD TYR 71 -8.401 10.565 -5.151 555 HE1 TYR 71 1HE TYR 71 -6.650 6.769 -7.743 556 HE2 TYR 71 2HE TYR 71 -9.341 10.058 -7.367 557 HH TYR 71 HH TYR 71 -8.683 8.909 -9.427 558 H ALA 72 HN ALA 72 -7.355 9.535 -0.875 559 HA ALA 72 HA ALA 72 -4.889 10.082 0.390 560 HB1 ALA 72 1HB ALA 72 -7.638 10.197 1.622 561 HB2 ALA 72 2HB ALA 72 -6.193 11.053 2.160 562 HB3 ALA 72 3HB ALA 72 -6.938 11.466 0.615 563 H ALA 73 HN ALA 73 -7.421 7.690 1.015 564 HA ALA 73 HA ALA 73 -6.487 6.642 3.411 565 HB1 ALA 73 1HB ALA 73 -7.686 4.865 1.324 566 HB2 ALA 73 2HB ALA 73 -7.931 4.862 3.070 567 HB3 ALA 73 3HB ALA 73 -8.647 6.135 2.082 568 H ILE 74 HN ILE 74 -5.542 5.854 0.094 569 HA ILE 74 HA ILE 74 -3.817 3.705 0.842 570 HB ILE 74 HB ILE 74 -3.778 5.305 -1.718 571 HG12 ILE 74 2HG1 ILE 74 -6.011 4.349 -1.233 572 HG13 ILE 74 3HG1 ILE 74 -5.257 3.607 -2.641 573 HG21 ILE 74 1HG2 ILE 74 -2.269 3.863 -2.525 574 HG22 ILE 74 2HG2 ILE 74 -1.960 3.467 -0.834 575 HG23 ILE 74 3HG2 ILE 74 -3.063 2.472 -1.786 576 HD11 ILE 74 3HD1 ILE 74 -5.779 1.666 -1.701 577 HD12 ILE 74 1HD1 ILE 74 -4.460 1.982 -0.572 578 HD13 ILE 74 2HD1 ILE 74 -6.114 2.417 -0.141 579 H ASP 75 HN ASP 75 -3.436 7.152 0.379 580 HA ASP 75 HA ASP 75 -0.628 7.251 0.229 581 HB2 ASP 75 2HB ASP 75 -2.796 9.191 0.853 582 HB3 ASP 75 3HB ASP 75 -1.160 9.627 1.338 583 H GLY 76 HN GLY 76 -2.772 7.827 3.024 584 HA2 GLY 76 2HA GLY 76 -0.618 7.922 4.891 585 HA3 GLY 76 3HA GLY 76 -2.326 7.799 5.283 586 H LEU 77 HN LEU 77 -2.600 5.355 3.616 587 HA LEU 77 HA LEU 77 -2.042 3.456 5.661 588 HB2 LEU 77 2HB LEU 77 -3.983 3.183 4.260 589 HB3 LEU 77 3HB LEU 77 -2.991 3.143 2.815 590 HG LEU 77 HG LEU 77 -2.146 0.981 3.337 591 HD11 LEU 77 1HD1 LEU 77 -3.315 0.006 5.583 592 HD12 LEU 77 2HD1 LEU 77 -1.677 0.653 5.504 593 HD13 LEU 77 3HD1 LEU 77 -3.003 1.676 6.053 594 HD21 LEU 77 3HD2 LEU 77 -4.017 -0.196 2.878 595 HD22 LEU 77 1HD2 LEU 77 -4.922 0.506 4.218 596 HD23 LEU 77 2HD2 LEU 77 -4.722 1.413 2.719 597 H ILE 78 HN ILE 78 -0.648 4.121 2.479 598 HA ILE 78 HA ILE 78 1.312 2.025 2.714 599 HB ILE 78 HB ILE 78 1.070 4.278 0.720 600 HG12 ILE 78 2HG1 ILE 78 -0.778 2.682 0.616 601 HG13 ILE 78 3HG1 ILE 78 0.264 2.505 -0.793 602 HG21 ILE 78 1HG2 ILE 78 2.558 2.356 -0.504 603 HG22 ILE 78 2HG2 ILE 78 3.218 3.792 0.280 604 HG23 ILE 78 3HG2 ILE 78 3.155 2.262 1.154 605 HD11 ILE 78 3HD1 ILE 78 -0.523 0.546 1.101 606 HD12 ILE 78 1HD1 ILE 78 0.463 0.354 -0.348 607 HD13 ILE 78 2HD1 ILE 78 1.227 0.747 1.193 608 H ASP 79 HN ASP 79 1.051 5.231 3.822 609 HA ASP 79 HA ASP 79 3.856 5.847 3.800 610 HB2 ASP 79 2HB ASP 79 2.125 7.616 3.736 611 HB3 ASP 79 3HB ASP 79 1.611 7.153 5.354 612 H LYS 80 HN LYS 80 1.512 5.169 6.403 613 HA LYS 80 HA LYS 80 3.487 4.908 8.415 614 HB2 LYS 80 2HB LYS 80 1.627 3.815 9.718 615 HB3 LYS 80 3HB LYS 80 1.269 5.423 9.105 616 HG2 LYS 80 2HG LYS 80 -0.494 4.675 7.995 617 HG3 LYS 80 3HG LYS 80 0.472 3.437 7.192 618 HD2 LYS 80 2HD LYS 80 -1.079 2.167 8.342 619 HD3 LYS 80 3HD LYS 80 0.278 2.192 9.469 620 HE2 LYS 80 2HE LYS 80 -1.081 4.429 10.208 621 HE3 LYS 80 3HE LYS 80 -2.399 3.373 9.704 622 HZ1 LYS 80 3HZ LYS 80 -1.534 3.304 12.133 623 HZ2 LYS 80 1HZ LYS 80 -0.313 2.324 11.490 624 HZ3 LYS 80 2HZ LYS 80 -1.933 1.859 11.347 625 H LEU 81 HN LEU 81 1.989 2.648 6.186 626 HA LEU 81 HA LEU 81 2.817 0.259 7.423 627 HB2 LEU 81 2HB LEU 81 1.982 1.033 4.662 628 HB3 LEU 81 3HB LEU 81 2.711 -0.540 4.910 629 HG LEU 81 HG LEU 81 0.079 -0.152 5.003 630 HD11 LEU 81 1HD1 LEU 81 0.031 -2.308 5.577 631 HD12 LEU 81 2HD1 LEU 81 1.791 -2.196 5.583 632 HD13 LEU 81 3HD1 LEU 81 0.891 -2.026 7.090 633 HD21 LEU 81 3HD2 LEU 81 0.830 0.055 7.910 634 HD22 LEU 81 1HD2 LEU 81 0.352 1.445 6.936 635 HD23 LEU 81 2HD2 LEU 81 -0.781 0.119 7.195 636 H ALA 82 HN ALA 82 4.326 2.219 4.863 637 HA ALA 82 HA ALA 82 6.553 0.601 4.402 638 HB1 ALA 82 1HB ALA 82 5.688 2.784 3.216 639 HB2 ALA 82 2HB ALA 82 6.857 3.561 4.284 640 HB3 ALA 82 3HB ALA 82 7.391 2.325 3.146 641 H ARG 83 HN ARG 83 6.373 3.509 6.463 642 HA ARG 83 HA ARG 83 8.882 3.442 7.571 643 HB2 ARG 83 2HB ARG 83 6.249 4.273 8.779 644 HB3 ARG 83 3HB ARG 83 7.781 4.504 9.610 645 HG2 ARG 83 2HG ARG 83 7.699 5.517 6.856 646 HG3 ARG 83 3HG ARG 83 6.624 6.333 7.993 647 HD2 ARG 83 2HD ARG 83 8.428 6.906 9.422 648 HD3 ARG 83 3HD ARG 83 9.536 5.835 8.565 649 HE ARG 83 HE ARG 83 9.925 7.521 7.080 650 HH11 ARG 83 2HH1 ARG 83 6.908 8.173 8.710 651 HH12 ARG 83 1HH1 ARG 83 6.704 9.728 7.976 652 HH21 ARG 83 2HH2 ARG 83 9.659 9.566 6.116 653 HH22 ARG 83 1HH2 ARG 83 8.266 10.518 6.502 654 H GLN 84 HN GLN 84 6.104 1.462 8.391 655 HA GLN 84 HA GLN 84 7.228 0.366 10.778 656 HB2 GLN 84 2HB GLN 84 4.938 -0.457 8.999 657 HB3 GLN 84 3HB GLN 84 5.416 -1.401 10.405 658 HG2 GLN 84 2HG GLN 84 4.720 1.512 10.583 659 HG3 GLN 84 3HG GLN 84 3.512 0.235 10.712 660 HE21 GLN 84 1HE2 GLN 84 3.081 -0.443 12.679 661 HE22 GLN 84 2HE2 GLN 84 4.116 -0.310 14.056 662 H LEU 85 HN LEU 85 7.072 -0.632 7.399 663 HA LEU 85 HA LEU 85 8.169 -3.194 7.698 664 HB2 LEU 85 2HB LEU 85 7.943 -1.264 5.437 665 HB3 LEU 85 3HB LEU 85 8.991 -2.655 5.247 666 HG LEU 85 HG LEU 85 6.664 -3.784 6.203 667 HD11 LEU 85 1HD1 LEU 85 5.162 -2.673 4.245 668 HD12 LEU 85 2HD1 LEU 85 5.069 -2.230 5.948 669 HD13 LEU 85 3HD1 LEU 85 6.038 -1.263 4.837 670 HD21 LEU 85 3HD2 LEU 85 6.824 -3.579 3.282 671 HD22 LEU 85 1HD2 LEU 85 8.323 -4.083 4.065 672 HD23 LEU 85 2HD2 LEU 85 6.842 -5.000 4.327 673 H THR 86 HN THR 86 9.693 -0.046 7.190 674 HA THR 86 HA THR 86 12.332 -0.974 6.879 675 HB THR 86 HB THR 86 12.629 1.499 8.042 676 HG1 THR 86 1HG THR 86 10.259 1.706 6.535 677 HG21 THR 86 3HG2 THR 86 13.213 0.532 5.658 678 HG22 THR 86 1HG2 THR 86 13.173 2.265 5.982 679 HG23 THR 86 2HG2 THR 86 11.799 1.483 5.202 680 H LYS 87 HN LYS 87 10.478 -0.022 9.737 681 HA LYS 87 HA LYS 87 12.481 -0.064 11.647 682 HB2 LYS 87 2HB LYS 87 9.578 -0.230 11.621 683 HB3 LYS 87 3HB LYS 87 10.273 -1.168 12.937 684 HG2 LYS 87 2HG LYS 87 10.166 0.794 14.024 685 HG3 LYS 87 3HG LYS 87 11.689 1.103 13.190 686 HD2 LYS 87 2HD LYS 87 9.179 1.781 11.761 687 HD3 LYS 87 3HD LYS 87 9.649 2.812 13.115 688 HE2 LYS 87 2HE LYS 87 12.003 2.648 11.850 689 HE3 LYS 87 3HE LYS 87 10.926 2.434 10.471 690 HZ1 LYS 87 3HZ LYS 87 10.186 4.546 10.607 691 HZ2 LYS 87 1HZ LYS 87 11.677 4.807 11.364 692 HZ3 LYS 87 2HZ LYS 87 10.278 4.609 12.295 693 H HIS 88 HN HIS 88 10.347 -2.781 10.746 694 HA HIS 88 HA HIS 88 11.798 -4.657 12.321 695 HB2 HIS 88 2HB HIS 88 10.267 -6.255 11.605 696 HB3 HIS 88 3HB HIS 88 9.338 -4.766 11.483 697 HD1 HIS 88 1HD HIS 88 8.120 -4.504 9.349 698 HD2 HIS 88 2HD HIS 88 11.441 -6.967 8.932 699 HE1 HIS 88 1HE HIS 88 8.049 -5.334 6.976 700 HE2 HIS 88 2HE HIS 88 10.102 -6.770 6.729 701 H LYS 89 HN LYS 89 12.153 -3.449 9.097 702 HA LYS 89 HA LYS 89 13.676 -5.615 8.054 703 HB2 LYS 89 2HB LYS 89 12.805 -2.991 7.160 704 HB3 LYS 89 3HB LYS 89 14.452 -3.335 6.652 705 HG2 LYS 89 2HG LYS 89 13.272 -5.663 6.006 706 HG3 LYS 89 3HG LYS 89 11.912 -4.556 5.803 707 HD2 LYS 89 2HD LYS 89 12.909 -4.555 3.703 708 HD3 LYS 89 3HD LYS 89 13.585 -3.113 4.465 709 HE2 LYS 89 2HE LYS 89 15.670 -3.983 4.570 710 HE3 LYS 89 3HE LYS 89 15.086 -5.618 4.876 711 HZ1 LYS 89 3HZ LYS 89 14.549 -4.550 2.229 712 HZ2 LYS 89 1HZ LYS 89 15.036 -6.103 2.693 713 HZ3 LYS 89 2HZ LYS 89 16.175 -4.858 2.577 714 H ASP 90 HN ASP 90 14.418 -3.014 10.178 715 HA ASP 90 HA ASP 90 17.219 -2.875 9.607 716 HB2 ASP 90 2HB ASP 90 15.368 -1.712 11.612 717 HB3 ASP 90 3HB ASP 90 17.055 -1.854 12.098 718 H LYS 91 HN LYS 91 15.196 -4.833 11.647 719 HA LYS 91 HA LYS 91 17.191 -5.764 13.425 720 HB2 LYS 91 2HB LYS 91 14.722 -7.276 12.573 721 HB3 LYS 91 3HB LYS 91 15.612 -7.441 14.080 722 HG2 LYS 91 2HG LYS 91 14.939 -5.176 14.719 723 HG3 LYS 91 3HG LYS 91 14.029 -5.031 13.215 724 HD2 LYS 91 2HD LYS 91 12.299 -5.783 14.435 725 HD3 LYS 91 3HD LYS 91 13.050 -7.365 14.219 726 HE2 LYS 91 2HE LYS 91 13.393 -7.538 16.407 727 HE3 LYS 91 3HE LYS 91 14.300 -6.026 16.413 728 HZ1 LYS 91 3HZ LYS 91 12.544 -4.876 17.180 729 HZ2 LYS 91 1HZ LYS 91 12.020 -6.387 17.735 730 HZ3 LYS 91 2HZ LYS 91 11.413 -5.760 16.286 731 H LEU 92 HN LEU 92 15.989 -6.940 10.319 732 HA LEU 92 HA LEU 92 17.434 -9.362 10.298 733 HB2 LEU 92 2HB LEU 92 16.106 -7.680 8.217 734 HB3 LEU 92 3HB LEU 92 17.151 -8.995 7.710 735 HG LEU 92 HG LEU 92 15.618 -10.346 9.436 736 HD11 LEU 92 1HD1 LEU 92 13.238 -9.525 8.935 737 HD12 LEU 92 2HD1 LEU 92 14.164 -8.684 10.179 738 HD13 LEU 92 3HD1 LEU 92 14.000 -7.977 8.572 739 HD21 LEU 92 3HD2 LEU 92 14.054 -10.588 7.279 740 HD22 LEU 92 1HD2 LEU 92 15.434 -9.774 6.543 741 HD23 LEU 92 2HD2 LEU 92 15.662 -11.305 7.386 742 H LYS 93 HN LYS 93 18.052 -6.577 8.166 743 HA LYS 93 HA LYS 93 20.724 -7.344 7.644 744 HB2 LYS 93 2HB LYS 93 20.902 -4.997 6.698 745 HB3 LYS 93 3HB LYS 93 19.650 -6.018 6.004 746 HG2 LYS 93 2HG LYS 93 17.942 -4.817 6.969 747 HG3 LYS 93 3HG LYS 93 18.970 -4.192 8.260 748 HD2 LYS 93 2HD LYS 93 20.097 -2.725 6.705 749 HD3 LYS 93 3HD LYS 93 19.197 -3.416 5.354 750 HE2 LYS 93 2HE LYS 93 17.304 -2.271 5.851 751 HE3 LYS 93 3HE LYS 93 17.597 -2.330 7.588 752 HZ1 LYS 93 3HZ LYS 93 19.572 -0.732 6.815 753 HZ2 LYS 93 1HZ LYS 93 18.046 -0.162 7.275 754 HZ3 LYS 93 2HZ LYS 93 18.422 -0.345 5.635 755 H GLN 94 HN GLN 94 21.696 -7.640 9.689 756 HA GLN 94 HA GLN 94 22.276 -5.142 11.141 757 HB2 GLN 94 2HB GLN 94 22.851 -6.739 13.057 758 HB3 GLN 94 3HB GLN 94 21.150 -6.540 12.659 759 HG2 GLN 94 2HG GLN 94 20.917 -8.671 11.998 760 HG3 GLN 94 3HG GLN 94 22.516 -8.732 11.261 761 HE21 GLN 94 1HE2 GLN 94 20.910 -10.422 13.260 762 HE22 GLN 94 2HE2 GLN 94 22.051 -10.743 14.515 763 H HIS 95 HN HIS 95 24.000 -4.716 9.635 764 HA HIS 95 HA HIS 95 26.474 -6.014 10.451 765 HB2 HIS 95 2HB HIS 95 25.312 -6.162 7.711 766 HB3 HIS 95 3HB HIS 95 27.052 -5.937 7.852 767 HD1 HIS 95 1HD HIS 95 27.453 -7.781 10.363 768 HD2 HIS 95 2HD HIS 95 25.339 -8.797 6.933 769 HE1 HIS 95 1HE HIS 95 27.462 -10.295 10.288 770 HE2 HIS 95 2HE HIS 95 26.103 -10.887 8.250 Start of MODEL 2 1 H1 MET 1 1H MET 1 4.862 -9.166 -5.517 2 H2 MET 1 2H MET 1 6.294 -9.901 -4.926 3 H3 MET 1 3H MET 1 4.773 -10.310 -4.243 4 HA MET 1 HA MET 1 5.451 -10.760 -7.064 5 HB2 MET 1 2HB MET 1 5.858 -12.485 -4.624 6 HB3 MET 1 3HB MET 1 5.737 -13.168 -6.240 7 HG2 MET 1 2HG MET 1 7.789 -11.164 -5.326 8 HG3 MET 1 3HG MET 1 8.053 -12.894 -5.537 9 HE1 MET 1 2HE MET 1 7.153 -9.600 -8.275 10 HE2 MET 1 3HE MET 1 7.896 -9.580 -6.675 11 HE3 MET 1 1HE MET 1 8.908 -9.658 -8.117 12 H GLN 2 HN GLN 2 3.753 -12.344 -4.358 13 HA GLN 2 HA GLN 2 1.422 -12.665 -6.119 14 HB2 GLN 2 2HB GLN 2 2.611 -14.292 -3.949 15 HB3 GLN 2 3HB GLN 2 0.855 -14.259 -4.013 16 HG2 GLN 2 2HG GLN 2 0.870 -15.755 -5.633 17 HG3 GLN 2 3HG GLN 2 1.815 -14.668 -6.648 18 HE21 GLN 2 1HE2 GLN 2 2.739 -16.642 -7.493 19 HE22 GLN 2 2HE2 GLN 2 4.044 -17.398 -6.650 20 H LEU 3 HN LEU 3 0.684 -10.516 -5.752 21 HA LEU 3 HA LEU 3 -0.572 -10.165 -3.108 22 HB2 LEU 3 2HB LEU 3 -0.221 -7.818 -3.203 23 HB3 LEU 3 3HB LEU 3 1.316 -8.590 -3.535 24 HG LEU 3 HG LEU 3 -0.319 -7.853 -5.894 25 HD11 LEU 3 1HD1 LEU 3 -0.195 -5.608 -5.709 26 HD12 LEU 3 2HD1 LEU 3 -0.227 -5.969 -3.984 27 HD13 LEU 3 3HD1 LEU 3 1.310 -5.657 -4.790 28 HD21 LEU 3 3HD2 LEU 3 2.106 -7.003 -6.456 29 HD22 LEU 3 1HD2 LEU 3 2.548 -8.070 -5.124 30 HD23 LEU 3 2HD2 LEU 3 1.704 -8.718 -6.530 31 H ASN 4 HN ASN 4 -2.634 -9.222 -3.052 32 HA ASN 4 HA ASN 4 -3.982 -8.750 -5.598 33 HB2 ASN 4 2HB ASN 4 -5.071 -10.681 -3.540 34 HB3 ASN 4 3HB ASN 4 -5.824 -10.245 -5.070 35 HD21 ASN 4 1HD2 ASN 4 -3.780 -12.385 -3.495 36 HD22 ASN 4 2HD2 ASN 4 -3.155 -13.208 -4.880 37 H ILE 5 HN ILE 5 -6.187 -7.842 -5.271 38 HA ILE 5 HA ILE 5 -6.483 -6.452 -2.701 39 HB ILE 5 HB ILE 5 -7.412 -4.527 -4.319 40 HG12 ILE 5 2HG1 ILE 5 -5.016 -5.565 -5.835 41 HG13 ILE 5 3HG1 ILE 5 -6.674 -5.897 -6.330 42 HG21 ILE 5 1HG2 ILE 5 -4.521 -4.290 -4.070 43 HG22 ILE 5 2HG2 ILE 5 -5.808 -3.329 -3.339 44 HG23 ILE 5 3HG2 ILE 5 -5.302 -4.844 -2.588 45 HD11 ILE 5 3HD1 ILE 5 -5.568 -4.000 -7.511 46 HD12 ILE 5 1HD1 ILE 5 -7.095 -3.595 -6.729 47 HD13 ILE 5 2HD1 ILE 5 -5.569 -3.125 -5.979 48 H THR 6 HN THR 6 -8.643 -5.739 -2.232 49 HA THR 6 HA THR 6 -10.754 -6.787 -3.955 50 HB THR 6 HB THR 6 -10.824 -7.315 -0.992 51 HG1 THR 6 1HG THR 6 -9.785 -9.161 -1.257 52 HG21 THR 6 3HG2 THR 6 -12.735 -8.370 -1.363 53 HG22 THR 6 1HG2 THR 6 -12.068 -9.252 -2.737 54 HG23 THR 6 2HG2 THR 6 -12.729 -7.633 -2.965 55 H GLY 7 HN GLY 7 -12.142 -5.178 -4.293 56 HA2 GLY 7 2HA GLY 7 -12.309 -3.039 -2.282 57 HA3 GLY 7 3HA GLY 7 -12.731 -2.875 -3.979 58 H ASN 8 HN ASN 8 -14.041 -2.798 -1.066 59 HA ASN 8 HA ASN 8 -16.453 -4.322 -1.722 60 HB2 ASN 8 2HB ASN 8 -17.103 -3.541 0.670 61 HB3 ASN 8 3HB ASN 8 -15.878 -4.791 0.492 62 HD21 ASN 8 1HD2 ASN 8 -15.530 -3.944 2.756 63 HD22 ASN 8 2HD2 ASN 8 -14.375 -2.672 2.934 64 H ASN 9 HN ASN 9 -17.893 -3.266 -2.911 65 HA ASN 9 HA ASN 9 -19.397 -1.684 -3.570 66 HB2 ASN 9 2HB ASN 9 -19.543 -1.385 -0.970 67 HB3 ASN 9 3HB ASN 9 -18.656 0.103 -1.278 68 HD21 ASN 9 1HD2 ASN 9 -19.609 1.503 -3.012 69 HD22 ASN 9 2HD2 ASN 9 -21.329 1.656 -3.039 70 H VAL 10 HN VAL 10 -16.779 -1.695 -4.572 71 HA VAL 10 HA VAL 10 -16.606 1.047 -5.517 72 HB VAL 10 HB VAL 10 -14.090 -0.251 -4.496 73 HG11 VAL 10 1HG1 VAL 10 -14.005 1.570 -6.223 74 HG12 VAL 10 2HG1 VAL 10 -14.701 2.649 -5.015 75 HG13 VAL 10 3HG1 VAL 10 -13.126 1.909 -4.732 76 HG21 VAL 10 3HG2 VAL 10 -14.244 1.216 -2.525 77 HG22 VAL 10 1HG2 VAL 10 -15.865 1.697 -3.028 78 HG23 VAL 10 2HG2 VAL 10 -15.543 0.024 -2.573 79 H GLU 11 HN GLU 11 -16.094 1.118 -7.627 80 HA GLU 11 HA GLU 11 -15.710 -1.342 -9.050 81 HB2 GLU 11 2HB GLU 11 -15.577 0.203 -11.055 82 HB3 GLU 11 3HB GLU 11 -17.072 0.267 -10.132 83 HG2 GLU 11 2HG GLU 11 -16.508 2.329 -9.159 84 HG3 GLU 11 3HG GLU 11 -14.827 2.203 -9.677 85 H ILE 12 HN ILE 12 -13.823 -2.304 -9.355 86 HA ILE 12 HA ILE 12 -11.343 -1.113 -8.698 87 HB ILE 12 HB ILE 12 -11.817 -3.605 -10.337 88 HG12 ILE 12 2HG1 ILE 12 -12.951 -3.618 -8.111 89 HG13 ILE 12 3HG1 ILE 12 -11.695 -4.843 -8.267 90 HG21 ILE 12 1HG2 ILE 12 -9.413 -2.694 -8.761 91 HG22 ILE 12 2HG2 ILE 12 -9.582 -4.257 -9.562 92 HG23 ILE 12 3HG2 ILE 12 -9.542 -2.775 -10.518 93 HD11 ILE 12 3HD1 ILE 12 -10.155 -3.264 -7.072 94 HD12 ILE 12 1HD1 ILE 12 -11.563 -2.253 -6.752 95 HD13 ILE 12 2HD1 ILE 12 -11.491 -3.896 -6.112 96 H THR 13 HN THR 13 -10.908 0.702 -9.892 97 HA THR 13 HA THR 13 -10.911 0.500 -12.809 98 HB THR 13 HB THR 13 -10.284 2.992 -12.587 99 HG1 THR 13 1HG THR 13 -9.786 2.696 -10.280 100 HG21 THR 13 3HG2 THR 13 -12.435 3.552 -12.810 101 HG22 THR 13 1HG2 THR 13 -12.909 2.742 -11.317 102 HG23 THR 13 2HG2 THR 13 -12.701 1.808 -12.798 103 H GLU 14 HN GLU 14 -9.114 0.243 -13.968 104 HA GLU 14 HA GLU 14 -6.746 -0.668 -13.136 105 HB2 GLU 14 2HB GLU 14 -7.518 -0.317 -15.517 106 HB3 GLU 14 3HB GLU 14 -6.906 1.327 -15.389 107 HG2 GLU 14 2HG GLU 14 -4.710 0.087 -14.631 108 HG3 GLU 14 3HG GLU 14 -5.430 -1.245 -15.535 109 H ALA 15 HN ALA 15 -7.654 2.735 -13.101 110 HA ALA 15 HA ALA 15 -5.060 3.747 -12.563 111 HB1 ALA 15 1HB ALA 15 -7.706 5.010 -11.862 112 HB2 ALA 15 2HB ALA 15 -6.154 5.824 -12.056 113 HB3 ALA 15 3HB ALA 15 -6.948 5.095 -13.453 114 H LEU 16 HN LEU 16 -7.823 2.978 -10.456 115 HA LEU 16 HA LEU 16 -6.662 3.776 -8.039 116 HB2 LEU 16 2HB LEU 16 -9.083 3.154 -8.498 117 HB3 LEU 16 3HB LEU 16 -8.588 1.480 -8.344 118 HG LEU 16 HG LEU 16 -9.621 2.448 -6.287 119 HD11 LEU 16 1HD1 LEU 16 -8.348 1.150 -4.930 120 HD12 LEU 16 2HD1 LEU 16 -7.708 0.614 -6.483 121 HD13 LEU 16 3HD1 LEU 16 -6.829 1.811 -5.533 122 HD21 LEU 16 3HD2 LEU 16 -7.057 4.014 -6.064 123 HD22 LEU 16 1HD2 LEU 16 -8.595 4.709 -6.574 124 HD23 LEU 16 2HD2 LEU 16 -8.427 4.030 -4.954 125 H ARG 17 HN ARG 17 -6.952 0.458 -9.330 126 HA ARG 17 HA ARG 17 -5.392 -0.800 -7.402 127 HB2 ARG 17 2HB ARG 17 -5.067 -2.591 -9.096 128 HB3 ARG 17 3HB ARG 17 -6.743 -2.089 -8.923 129 HG2 ARG 17 2HG ARG 17 -6.195 -0.518 -10.923 130 HG3 ARG 17 3HG ARG 17 -4.856 -1.637 -11.186 131 HD2 ARG 17 2HD ARG 17 -6.923 -3.359 -10.809 132 HD3 ARG 17 3HD ARG 17 -7.742 -2.006 -11.590 133 HE ARG 17 HE ARG 17 -5.323 -2.823 -12.913 134 HH11 ARG 17 2HH1 ARG 17 -8.759 -3.366 -12.632 135 HH12 ARG 17 1HH1 ARG 17 -8.906 -4.054 -14.215 136 HH21 ARG 17 2HH2 ARG 17 -5.514 -3.726 -14.995 137 HH22 ARG 17 1HH2 ARG 17 -7.065 -4.258 -15.556 138 H GLU 18 HN GLU 18 -4.428 0.690 -10.466 139 HA GLU 18 HA GLU 18 -1.739 -0.068 -10.460 140 HB2 GLU 18 2HB GLU 18 -3.265 2.195 -11.681 141 HB3 GLU 18 3HB GLU 18 -1.508 2.216 -11.748 142 HG2 GLU 18 2HG GLU 18 -3.144 -0.114 -12.701 143 HG3 GLU 18 3HG GLU 18 -2.704 1.239 -13.741 144 H PHE 19 HN PHE 19 -3.317 2.782 -9.050 145 HA PHE 19 HA PHE 19 -1.051 4.132 -8.171 146 HB2 PHE 19 2HB PHE 19 -3.321 5.093 -8.137 147 HB3 PHE 19 3HB PHE 19 -3.761 3.999 -6.828 148 HD1 PHE 19 2HD PHE 19 -1.446 6.758 -7.720 149 HD2 PHE 19 1HD PHE 19 -3.378 4.592 -4.609 150 HE1 PHE 19 2HE PHE 19 -0.652 8.411 -6.081 151 HE2 PHE 19 1HE PHE 19 -2.588 6.242 -2.964 152 HZ PHE 19 HZ PHE 19 -1.222 8.155 -3.699 153 H VAL 20 HN VAL 20 -2.952 1.620 -6.538 154 HA VAL 20 HA VAL 20 -1.510 1.642 -4.116 155 HB VAL 20 HB VAL 20 -2.922 -0.738 -5.327 156 HG11 VAL 20 1HG1 VAL 20 -2.967 -0.231 -2.427 157 HG12 VAL 20 2HG1 VAL 20 -2.779 -1.743 -3.316 158 HG13 VAL 20 3HG1 VAL 20 -1.396 -0.669 -3.102 159 HG21 VAL 20 3HG2 VAL 20 -3.982 1.708 -3.976 160 HG22 VAL 20 1HG2 VAL 20 -4.597 0.850 -5.390 161 HG23 VAL 20 2HG2 VAL 20 -4.812 0.164 -3.779 162 H THR 21 HN THR 21 -1.331 -0.660 -6.839 163 HA THR 21 HA THR 21 0.912 -2.057 -5.909 164 HB THR 21 HB THR 21 0.277 -1.665 -8.828 165 HG1 THR 21 1HG THR 21 -1.231 -3.375 -8.548 166 HG21 THR 21 3HG2 THR 21 0.682 -4.336 -8.345 167 HG22 THR 21 1HG2 THR 21 1.865 -3.549 -7.300 168 HG23 THR 21 2HG2 THR 21 1.855 -3.209 -9.030 169 H ALA 22 HN ALA 22 0.615 0.956 -7.637 170 HA ALA 22 HA ALA 22 3.183 1.196 -8.698 171 HB1 ALA 22 1HB ALA 22 1.897 2.882 -9.486 172 HB2 ALA 22 2HB ALA 22 1.013 3.064 -7.970 173 HB3 ALA 22 3HB ALA 22 2.626 3.758 -8.140 174 H LYS 23 HN LYS 23 1.943 2.126 -5.500 175 HA LYS 23 HA LYS 23 4.391 3.206 -4.564 176 HB2 LYS 23 2HB LYS 23 2.086 2.064 -2.975 177 HB3 LYS 23 3HB LYS 23 3.374 3.075 -2.336 178 HG2 LYS 23 2HG LYS 23 1.403 3.934 -4.443 179 HG3 LYS 23 3HG LYS 23 1.272 4.298 -2.721 180 HD2 LYS 23 2HD LYS 23 2.743 5.974 -2.867 181 HD3 LYS 23 3HD LYS 23 3.877 4.999 -3.802 182 HE2 LYS 23 2HE LYS 23 1.959 5.438 -5.653 183 HE3 LYS 23 3HE LYS 23 1.827 6.916 -4.700 184 HZ1 LYS 23 3HZ LYS 23 4.522 6.097 -5.411 185 HZ2 LYS 23 1HZ LYS 23 3.830 7.641 -5.384 186 HZ3 LYS 23 2HZ LYS 23 3.550 6.610 -6.696 187 H PHE 24 HN PHE 24 2.822 0.052 -4.070 188 HA PHE 24 HA PHE 24 4.648 -1.142 -2.398 189 HB2 PHE 24 2HB PHE 24 2.709 -2.107 -4.406 190 HB3 PHE 24 3HB PHE 24 3.985 -3.244 -3.986 191 HD1 PHE 24 1HD PHE 24 1.077 -1.395 -2.758 192 HD2 PHE 24 2HD PHE 24 4.117 -4.208 -1.783 193 HE1 PHE 24 1HE PHE 24 -0.154 -2.014 -0.720 194 HE2 PHE 24 2HE PHE 24 2.891 -4.834 0.256 195 HZ PHE 24 HZ PHE 24 0.751 -3.737 0.790 196 H ALA 25 HN ALA 25 4.756 -1.010 -5.949 197 HA ALA 25 HA ALA 25 7.011 -2.525 -6.418 198 HB1 ALA 25 1HB ALA 25 5.660 -0.309 -7.829 199 HB2 ALA 25 2HB ALA 25 7.317 -0.661 -8.319 200 HB3 ALA 25 3HB ALA 25 6.087 -1.924 -8.394 201 H LYS 26 HN LYS 26 6.907 1.006 -5.901 202 HA LYS 26 HA LYS 26 9.650 1.467 -5.951 203 HB2 LYS 26 2HB LYS 26 7.388 3.001 -5.549 204 HB3 LYS 26 3HB LYS 26 8.222 3.124 -4.008 205 HG2 LYS 26 2HG LYS 26 9.551 3.662 -6.649 206 HG3 LYS 26 3HG LYS 26 8.766 4.908 -5.677 207 HD2 LYS 26 2HD LYS 26 10.957 3.126 -4.631 208 HD3 LYS 26 3HD LYS 26 11.259 4.700 -5.369 209 HE2 LYS 26 2HE LYS 26 9.267 5.199 -3.509 210 HE3 LYS 26 3HE LYS 26 10.323 4.042 -2.700 211 HZ1 LYS 26 3HZ LYS 26 12.179 5.469 -3.016 212 HZ2 LYS 26 1HZ LYS 26 10.935 6.410 -2.362 213 HZ3 LYS 26 2HZ LYS 26 11.299 6.518 -4.009 214 H LEU 27 HN LEU 27 7.643 0.101 -3.472 215 HA LEU 27 HA LEU 27 9.617 0.404 -1.385 216 HB2 LEU 27 2HB LEU 27 6.896 -0.806 -1.591 217 HB3 LEU 27 3HB LEU 27 7.937 -1.299 -0.271 218 HG LEU 27 HG LEU 27 8.139 1.108 0.384 219 HD11 LEU 27 1HD1 LEU 27 7.469 1.919 -1.930 220 HD12 LEU 27 2HD1 LEU 27 5.807 1.582 -1.445 221 HD13 LEU 27 3HD1 LEU 27 6.763 2.763 -0.551 222 HD21 LEU 27 3HD2 LEU 27 5.240 0.589 0.433 223 HD22 LEU 27 1HD2 LEU 27 6.264 -0.706 1.049 224 HD23 LEU 27 2HD2 LEU 27 6.362 0.907 1.756 225 H GLU 28 HN GLU 28 8.753 -1.910 -3.791 226 HA GLU 28 HA GLU 28 9.829 -4.245 -2.661 227 HB2 GLU 28 2HB GLU 28 8.363 -3.890 -4.790 228 HB3 GLU 28 3HB GLU 28 9.909 -3.723 -5.610 229 HG2 GLU 28 2HG GLU 28 10.565 -5.942 -4.771 230 HG3 GLU 28 3HG GLU 28 8.975 -6.107 -4.029 231 H GLN 29 HN GLN 29 11.400 -1.434 -3.736 232 HA GLN 29 HA GLN 29 13.806 -2.616 -4.699 233 HB2 GLN 29 2HB GLN 29 12.953 -0.261 -5.165 234 HB3 GLN 29 3HB GLN 29 13.521 0.157 -3.555 235 HG2 GLN 29 2HG GLN 29 15.238 0.807 -4.995 236 HG3 GLN 29 3HG GLN 29 15.788 -0.712 -4.290 237 HE21 GLN 29 1HE2 GLN 29 16.980 0.124 -6.538 238 HE22 GLN 29 2HE2 GLN 29 16.499 -0.840 -7.887 239 H TYR 30 HN TYR 30 12.859 -1.151 -1.595 240 HA TYR 30 HA TYR 30 15.335 -2.193 -0.420 241 HB2 TYR 30 2HB TYR 30 14.535 -0.737 1.576 242 HB3 TYR 30 3HB TYR 30 15.219 0.049 0.158 243 HD1 TYR 30 1HD TYR 30 11.861 -1.105 1.347 244 HD2 TYR 30 2HD TYR 30 14.127 1.937 -0.578 245 HE1 TYR 30 1HE TYR 30 9.836 0.276 1.157 246 HE2 TYR 30 2HE TYR 30 12.109 3.324 -0.777 247 HH TYR 30 HH TYR 30 9.338 2.795 0.942 248 H PHE 31 HN PHE 31 12.317 -3.315 -0.868 249 HA PHE 31 HA PHE 31 12.304 -4.708 1.728 250 HB2 PHE 31 2HB PHE 31 9.982 -3.807 0.026 251 HB3 PHE 31 3HB PHE 31 9.810 -5.017 1.290 252 HD1 PHE 31 1HD PHE 31 12.050 -3.380 2.971 253 HD2 PHE 31 2HD PHE 31 8.268 -2.500 1.226 254 HE1 PHE 31 1HE PHE 31 11.706 -1.594 4.623 255 HE2 PHE 31 2HE PHE 31 7.921 -0.709 2.877 256 HZ PHE 31 HZ PHE 31 9.642 -0.255 4.577 257 H ASP 32 HN ASP 32 12.815 -6.769 1.566 258 HA ASP 32 HA ASP 32 12.308 -8.159 -0.977 259 HB2 ASP 32 2HB ASP 32 14.486 -8.310 1.035 260 HB3 ASP 32 3HB ASP 32 14.004 -9.826 0.279 261 H ARG 33 HN ARG 33 11.704 -8.181 2.445 262 HA ARG 33 HA ARG 33 10.673 -10.857 2.536 263 HB2 ARG 33 2HB ARG 33 10.092 -8.706 4.559 264 HB3 ARG 33 3HB ARG 33 10.192 -10.444 4.808 265 HG2 ARG 33 2HG ARG 33 12.702 -9.742 3.854 266 HG3 ARG 33 3HG ARG 33 12.260 -8.431 4.950 267 HD2 ARG 33 2HD ARG 33 11.586 -11.014 6.064 268 HD3 ARG 33 3HD ARG 33 13.295 -10.922 5.640 269 HE ARG 33 HE ARG 33 13.605 -9.402 7.328 270 HH11 ARG 33 2HH1 ARG 33 10.185 -9.783 6.751 271 HH12 ARG 33 1HH1 ARG 33 9.721 -8.882 8.155 272 HH21 ARG 33 2HH2 ARG 33 12.998 -8.216 9.175 273 HH22 ARG 33 1HH2 ARG 33 11.318 -7.994 9.532 274 H ILE 34 HN ILE 34 9.260 -10.436 0.605 275 HA ILE 34 HA ILE 34 6.586 -9.710 1.549 276 HB ILE 34 HB ILE 34 7.629 -8.749 -1.114 277 HG12 ILE 34 2HG1 ILE 34 7.139 -7.090 1.367 278 HG13 ILE 34 3HG1 ILE 34 8.733 -7.632 0.853 279 HG21 ILE 34 1HG2 ILE 34 5.520 -7.240 -0.722 280 HG22 ILE 34 2HG2 ILE 34 5.351 -8.873 -1.366 281 HG23 ILE 34 3HG2 ILE 34 5.035 -8.560 0.341 282 HD11 ILE 34 3HD1 ILE 34 6.938 -5.980 -0.894 283 HD12 ILE 34 1HD1 ILE 34 8.100 -5.280 0.233 284 HD13 ILE 34 2HD1 ILE 34 8.661 -6.303 -1.091 285 H ASN 35 HN ASN 35 5.215 -11.306 1.098 286 HA ASN 35 HA ASN 35 5.710 -12.945 -1.294 287 HB2 ASN 35 2HB ASN 35 4.697 -14.858 0.138 288 HB3 ASN 35 3HB ASN 35 6.383 -14.416 0.381 289 HD21 ASN 35 1HD2 ASN 35 3.796 -15.349 1.990 290 HD22 ASN 35 2HD2 ASN 35 4.009 -14.511 3.485 291 H GLN 36 HN GLN 36 3.221 -12.402 1.220 292 HA GLN 36 HA GLN 36 1.245 -12.194 -0.951 293 HB2 GLN 36 2HB GLN 36 1.081 -14.393 0.175 294 HB3 GLN 36 3HB GLN 36 0.810 -13.570 1.704 295 HG2 GLN 36 2HG GLN 36 -1.356 -13.643 1.277 296 HG3 GLN 36 3HG GLN 36 -1.080 -12.496 -0.033 297 HE21 GLN 36 1HE2 GLN 36 -2.220 -15.523 0.762 298 HE22 GLN 36 2HE2 GLN 36 -2.285 -16.211 -0.821 299 H VAL 37 HN VAL 37 0.371 -10.241 -0.964 300 HA VAL 37 HA VAL 37 -0.186 -8.925 1.611 301 HB VAL 37 HB VAL 37 0.500 -7.360 -0.864 302 HG11 VAL 37 1HG1 VAL 37 -0.530 -6.004 0.739 303 HG12 VAL 37 2HG1 VAL 37 0.321 -6.779 2.075 304 HG13 VAL 37 3HG1 VAL 37 1.194 -5.715 0.971 305 HG21 VAL 37 3HG2 VAL 37 2.386 -8.898 -0.319 306 HG22 VAL 37 1HG2 VAL 37 2.788 -7.186 -0.178 307 HG23 VAL 37 2HG2 VAL 37 2.479 -8.142 1.272 308 H TYR 38 HN TYR 38 -2.210 -8.105 1.831 309 HA TYR 38 HA TYR 38 -3.887 -7.939 -0.574 310 HB2 TYR 38 2HB TYR 38 -5.780 -8.695 1.101 311 HB3 TYR 38 3HB TYR 38 -4.788 -9.880 0.261 312 HD1 TYR 38 1HD TYR 38 -2.641 -10.660 1.553 313 HD2 TYR 38 2HD TYR 38 -6.022 -8.855 3.399 314 HE1 TYR 38 1HE TYR 38 -1.985 -11.650 3.704 315 HE2 TYR 38 2HE TYR 38 -5.375 -9.837 5.558 316 HH TYR 38 HH TYR 38 -3.615 -12.252 6.026 317 H VAL 39 HN VAL 39 -5.198 -6.219 -0.720 318 HA VAL 39 HA VAL 39 -5.413 -4.439 1.617 319 HB VAL 39 HB VAL 39 -5.045 -3.442 -1.206 320 HG11 VAL 39 1HG1 VAL 39 -5.157 -1.344 -0.373 321 HG12 VAL 39 2HG1 VAL 39 -6.094 -2.135 0.895 322 HG13 VAL 39 3HG1 VAL 39 -4.385 -1.791 1.148 323 HG21 VAL 39 3HG2 VAL 39 -2.933 -4.210 -0.951 324 HG22 VAL 39 1HG2 VAL 39 -2.752 -2.734 -0.003 325 HG23 VAL 39 2HG2 VAL 39 -3.051 -4.271 0.808 326 H VAL 40 HN VAL 40 -7.340 -3.335 1.854 327 HA VAL 40 HA VAL 40 -9.395 -3.657 -0.204 328 HB VAL 40 HB VAL 40 -9.939 -4.335 2.691 329 HG11 VAL 40 1HG1 VAL 40 -11.673 -3.521 0.735 330 HG12 VAL 40 2HG1 VAL 40 -11.775 -5.278 0.624 331 HG13 VAL 40 3HG1 VAL 40 -12.107 -4.469 2.157 332 HG21 VAL 40 3HG2 VAL 40 -10.343 -6.662 1.419 333 HG22 VAL 40 1HG2 VAL 40 -9.028 -6.015 0.438 334 HG23 VAL 40 2HG2 VAL 40 -8.810 -6.227 2.175 335 H LEU 41 HN LEU 41 -10.684 -1.959 -0.412 336 HA LEU 41 HA LEU 41 -10.628 0.102 1.673 337 HB2 LEU 41 2HB LEU 41 -10.754 1.698 -0.417 338 HB3 LEU 41 3HB LEU 41 -9.220 1.139 0.222 339 HG LEU 41 HG LEU 41 -9.301 1.061 -2.233 340 HD11 LEU 41 1HD1 LEU 41 -7.937 -0.684 -2.253 341 HD12 LEU 41 2HD1 LEU 41 -8.311 -0.843 -0.537 342 HD13 LEU 41 3HD1 LEU 41 -9.204 -1.791 -1.725 343 HD21 LEU 41 3HD2 LEU 41 -11.269 -1.184 -2.046 344 HD22 LEU 41 1HD2 LEU 41 -11.802 0.487 -2.232 345 HD23 LEU 41 2HD2 LEU 41 -10.775 -0.252 -3.460 346 H LYS 42 HN LYS 42 -12.536 0.887 2.236 347 HA LYS 42 HA LYS 42 -14.870 0.183 0.593 348 HB2 LYS 42 2HB LYS 42 -14.964 -0.766 2.818 349 HB3 LYS 42 3HB LYS 42 -14.649 0.804 3.543 350 HG2 LYS 42 2HG LYS 42 -16.801 1.611 2.606 351 HG3 LYS 42 3HG LYS 42 -17.117 -0.030 2.037 352 HD2 LYS 42 2HD LYS 42 -18.261 0.190 4.098 353 HD3 LYS 42 3HD LYS 42 -16.827 -0.784 4.432 354 HE2 LYS 42 2HE LYS 42 -15.819 1.645 4.919 355 HE3 LYS 42 3HE LYS 42 -17.511 1.963 5.300 356 HZ1 LYS 42 3HZ LYS 42 -16.007 -0.316 6.452 357 HZ2 LYS 42 1HZ LYS 42 -17.503 0.299 6.951 358 HZ3 LYS 42 2HZ LYS 42 -16.092 1.199 7.201 359 H VAL 43 HN VAL 43 -16.283 1.719 -0.083 360 HA VAL 43 HA VAL 43 -15.572 4.518 0.509 361 HB VAL 43 HB VAL 43 -16.792 3.438 -2.038 362 HG11 VAL 43 1HG1 VAL 43 -16.326 6.161 -0.985 363 HG12 VAL 43 2HG1 VAL 43 -15.907 5.890 -2.677 364 HG13 VAL 43 3HG1 VAL 43 -17.547 5.572 -2.113 365 HG21 VAL 43 3HG2 VAL 43 -14.090 4.689 -1.900 366 HG22 VAL 43 1HG2 VAL 43 -14.277 3.004 -1.418 367 HG23 VAL 43 2HG2 VAL 43 -14.729 3.511 -3.046 368 H GLU 44 HN GLU 44 -17.042 5.544 1.656 369 HA GLU 44 HA GLU 44 -19.883 5.016 1.159 370 HB2 GLU 44 2HB GLU 44 -20.175 5.326 3.714 371 HB3 GLU 44 3HB GLU 44 -19.644 3.762 3.108 372 HG2 GLU 44 2HG GLU 44 -17.496 4.034 3.893 373 HG3 GLU 44 3HG GLU 44 -17.623 5.793 3.929 374 H LYS 45 HN LYS 45 -21.282 6.763 1.687 375 HA LYS 45 HA LYS 45 -20.511 9.257 0.908 376 HB2 LYS 45 2HB LYS 45 -22.856 8.483 1.244 377 HB3 LYS 45 3HB LYS 45 -22.644 8.708 2.976 378 HG2 LYS 45 2HG LYS 45 -21.918 11.139 2.146 379 HG3 LYS 45 3HG LYS 45 -23.010 10.704 0.830 380 HD2 LYS 45 2HD LYS 45 -24.252 9.951 3.267 381 HD3 LYS 45 3HD LYS 45 -23.651 11.598 3.458 382 HE2 LYS 45 2HE LYS 45 -24.736 11.820 1.026 383 HE3 LYS 45 3HE LYS 45 -25.754 10.531 1.668 384 HZ1 LYS 45 3HZ LYS 45 -26.163 11.999 3.620 385 HZ2 LYS 45 1HZ LYS 45 -26.790 12.591 2.163 386 HZ3 LYS 45 2HZ LYS 45 -25.365 13.245 2.800 387 H VAL 46 HN VAL 46 -20.060 7.823 4.051 388 HA VAL 46 HA VAL 46 -19.322 10.361 5.253 389 HB VAL 46 HB VAL 46 -19.037 7.686 6.595 390 HG11 VAL 46 1HG1 VAL 46 -18.340 10.125 7.454 391 HG12 VAL 46 2HG1 VAL 46 -20.023 10.105 7.980 392 HG13 VAL 46 3HG1 VAL 46 -18.910 8.853 8.535 393 HG21 VAL 46 3HG2 VAL 46 -21.226 7.371 6.105 394 HG22 VAL 46 1HG2 VAL 46 -21.447 8.467 7.469 395 HG23 VAL 46 2HG2 VAL 46 -21.520 9.086 5.820 396 H THR 47 HN THR 47 -17.328 8.292 6.803 397 HA THR 47 HA THR 47 -15.013 9.295 5.408 398 HB THR 47 HB THR 47 -14.743 7.341 7.633 399 HG1 THR 47 1HG THR 47 -15.829 9.938 7.925 400 HG21 THR 47 3HG2 THR 47 -13.427 9.786 8.126 401 HG22 THR 47 1HG2 THR 47 -13.140 9.356 6.439 402 HG23 THR 47 2HG2 THR 47 -12.723 8.219 7.722 403 H HIS 48 HN HIS 48 -13.265 7.965 4.686 404 HA HIS 48 HA HIS 48 -14.205 5.480 3.458 405 HB2 HIS 48 2HB HIS 48 -11.688 7.087 2.968 406 HB3 HIS 48 3HB HIS 48 -12.154 5.639 2.081 407 HD1 HIS 48 1HD HIS 48 -12.577 6.611 -0.190 408 HD2 HIS 48 2HD HIS 48 -14.564 8.675 2.818 409 HE1 HIS 48 1HE HIS 48 -14.084 8.239 -1.375 410 HE2 HIS 48 2HE HIS 48 -15.344 9.412 0.465 411 H THR 49 HN THR 49 -13.020 3.517 3.630 412 HA THR 49 HA THR 49 -11.049 3.438 5.811 413 HB THR 49 HB THR 49 -13.159 1.313 5.510 414 HG1 THR 49 1HG THR 49 -13.258 3.691 7.043 415 HG21 THR 49 3HG2 THR 49 -12.136 1.939 8.159 416 HG22 THR 49 1HG2 THR 49 -10.897 1.367 7.044 417 HG23 THR 49 2HG2 THR 49 -12.327 0.384 7.349 418 H SER 50 HN SER 50 -9.226 2.556 5.142 419 HA SER 50 HA SER 50 -9.347 0.370 3.178 420 HB2 SER 50 2HB SER 50 -6.989 2.193 3.137 421 HB3 SER 50 3HB SER 50 -7.736 1.291 1.820 422 HG SER 50 HG SER 50 -8.815 3.019 1.358 423 H ASP 51 HN ASP 51 -7.935 -1.328 3.499 424 HA ASP 51 HA ASP 51 -6.224 -1.156 5.891 425 HB2 ASP 51 2HB ASP 51 -6.796 -3.456 6.440 426 HB3 ASP 51 3HB ASP 51 -8.262 -2.489 6.327 427 H ALA 52 HN ALA 52 -4.328 -2.439 5.893 428 HA ALA 52 HA ALA 52 -3.557 -3.679 3.359 429 HB1 ALA 52 1HB ALA 52 -1.456 -1.997 4.555 430 HB2 ALA 52 2HB ALA 52 -1.854 -2.290 2.861 431 HB3 ALA 52 3HB ALA 52 -2.796 -1.131 3.802 432 H THR 53 HN THR 53 -3.088 -5.680 3.954 433 HA THR 53 HA THR 53 -1.583 -6.111 6.451 434 HB THR 53 HB THR 53 -3.084 -8.246 4.954 435 HG1 THR 53 1HG THR 53 -4.139 -6.630 7.026 436 HG21 THR 53 3HG2 THR 53 -1.823 -8.015 7.603 437 HG22 THR 53 1HG2 THR 53 -2.050 -9.422 6.564 438 HG23 THR 53 2HG2 THR 53 -3.387 -8.827 7.548 439 H LEU 54 HN LEU 54 0.525 -6.343 6.087 440 HA LEU 54 HA LEU 54 1.415 -7.635 3.611 441 HB2 LEU 54 2HB LEU 54 2.668 -5.736 5.544 442 HB3 LEU 54 3HB LEU 54 3.707 -6.784 4.597 443 HG LEU 54 HG LEU 54 2.393 -5.851 2.558 444 HD11 LEU 54 1HD1 LEU 54 0.663 -4.595 3.343 445 HD12 LEU 54 2HD1 LEU 54 1.547 -4.066 4.774 446 HD13 LEU 54 3HD1 LEU 54 1.894 -3.340 3.204 447 HD21 LEU 54 3HD2 LEU 54 4.770 -5.445 3.052 448 HD22 LEU 54 1HD2 LEU 54 3.981 -4.034 2.347 449 HD23 LEU 54 2HD2 LEU 54 4.309 -4.087 4.079 450 H HIS 55 HN HIS 55 2.806 -9.383 3.603 451 HA HIS 55 HA HIS 55 2.896 -10.894 6.122 452 HB2 HIS 55 2HB HIS 55 2.791 -11.685 3.241 453 HB3 HIS 55 3HB HIS 55 3.561 -12.776 4.388 454 HD1 HIS 55 1HD HIS 55 1.988 -14.515 5.132 455 HD2 HIS 55 2HD HIS 55 0.063 -10.892 4.469 456 HE1 HIS 55 1HE HIS 55 -0.432 -14.928 5.681 457 HE2 HIS 55 2HE HIS 55 -1.563 -12.702 5.346 458 H VAL 56 HN VAL 56 4.782 -11.578 6.999 459 HA VAL 56 HA VAL 56 7.270 -11.165 5.509 460 HB VAL 56 HB VAL 56 8.295 -10.209 7.630 461 HG11 VAL 56 1HG1 VAL 56 7.939 -8.042 6.915 462 HG12 VAL 56 2HG1 VAL 56 7.505 -8.975 5.481 463 HG13 VAL 56 3HG1 VAL 56 6.243 -8.333 6.533 464 HG21 VAL 56 3HG2 VAL 56 6.760 -9.045 9.154 465 HG22 VAL 56 1HG2 VAL 56 5.389 -9.750 8.297 466 HG23 VAL 56 2HG2 VAL 56 6.510 -10.789 9.175 467 H ASN 57 HN ASN 57 9.083 -12.334 6.366 468 HA ASN 57 HA ASN 57 8.393 -14.918 7.309 469 HB2 ASN 57 2HB ASN 57 11.098 -13.580 7.087 470 HB3 ASN 57 3HB ASN 57 10.843 -15.295 7.392 471 HD21 ASN 57 1HD2 ASN 57 11.251 -16.429 5.650 472 HD22 ASN 57 2HD2 ASN 57 10.825 -16.006 4.030 473 H GLY 58 HN GLY 58 7.648 -15.203 9.319 474 HA2 GLY 58 2HA GLY 58 8.517 -15.581 11.609 475 HA3 GLY 58 3HA GLY 58 9.171 -13.952 11.524 476 H GLY 59 HN GLY 59 6.586 -13.171 10.068 477 HA2 GLY 59 2HA GLY 59 4.431 -13.546 11.855 478 HA3 GLY 59 3HA GLY 59 5.258 -12.047 12.250 479 H GLU 60 HN GLU 60 2.926 -11.390 11.672 480 HA GLU 60 HA GLU 60 2.982 -10.448 8.903 481 HB2 GLU 60 2HB GLU 60 0.735 -11.974 10.201 482 HB3 GLU 60 3HB GLU 60 0.447 -10.885 8.853 483 HG2 GLU 60 2HG GLU 60 0.890 -12.579 7.502 484 HG3 GLU 60 3HG GLU 60 2.570 -12.473 8.026 485 H ILE 61 HN ILE 61 2.442 -8.355 8.714 486 HA ILE 61 HA ILE 61 1.451 -6.993 11.120 487 HB ILE 61 HB ILE 61 2.640 -5.690 8.674 488 HG12 ILE 61 2HG1 ILE 61 4.497 -5.603 10.790 489 HG13 ILE 61 3HG1 ILE 61 3.947 -7.275 10.707 490 HG21 ILE 61 1HG2 ILE 61 2.850 -4.491 11.361 491 HG22 ILE 61 2HG2 ILE 61 2.541 -3.734 9.799 492 HG23 ILE 61 3HG2 ILE 61 1.234 -4.551 10.657 493 HD11 ILE 61 3HD1 ILE 61 5.978 -6.728 9.351 494 HD12 ILE 61 1HD1 ILE 61 4.656 -7.482 8.459 495 HD13 ILE 61 2HD1 ILE 61 4.937 -5.747 8.319 496 H HIS 62 HN HIS 62 -0.377 -5.732 11.102 497 HA HIS 62 HA HIS 62 -1.864 -5.538 8.579 498 HB2 HIS 62 2HB HIS 62 -2.729 -7.438 9.972 499 HB3 HIS 62 3HB HIS 62 -3.132 -6.269 11.225 500 HD1 HIS 62 1HD HIS 62 -5.294 -8.014 9.847 501 HD2 HIS 62 2HD HIS 62 -4.298 -4.144 8.707 502 HE1 HIS 62 1HE HIS 62 -7.314 -7.128 8.639 503 HE2 HIS 62 2HE HIS 62 -6.719 -4.757 8.033 504 H ALA 63 HN ALA 63 -2.044 -3.432 8.177 505 HA ALA 63 HA ALA 63 -2.761 -1.646 10.411 506 HB1 ALA 63 1HB ALA 63 -0.704 -1.290 8.276 507 HB2 ALA 63 2HB ALA 63 -1.518 0.121 8.948 508 HB3 ALA 63 3HB ALA 63 -0.601 -0.952 10.003 509 H SER 64 HN SER 64 -4.053 0.217 9.828 510 HA SER 64 HA SER 64 -5.322 0.114 7.200 511 HB2 SER 64 2HB SER 64 -6.559 -0.919 9.506 512 HB3 SER 64 3HB SER 64 -7.318 0.647 9.225 513 HG SER 64 HG SER 64 -8.127 -1.377 8.087 514 H ALA 65 HN ALA 65 -6.232 2.100 6.535 515 HA ALA 65 HA ALA 65 -5.897 4.383 8.330 516 HB1 ALA 65 1HB ALA 65 -3.922 3.820 6.559 517 HB2 ALA 65 2HB ALA 65 -4.933 4.909 5.609 518 HB3 ALA 65 3HB ALA 65 -4.292 5.435 7.166 519 H GLU 66 HN GLU 66 -6.956 6.332 7.564 520 HA GLU 66 HA GLU 66 -9.143 5.768 5.670 521 HB2 GLU 66 2HB GLU 66 -10.590 7.216 7.016 522 HB3 GLU 66 3HB GLU 66 -9.989 5.865 7.965 523 HG2 GLU 66 2HG GLU 66 -8.134 7.566 8.664 524 HG3 GLU 66 3HG GLU 66 -9.326 8.761 8.155 525 H GLY 67 HN GLY 67 -9.839 7.495 4.350 526 HA2 GLY 67 2HA GLY 67 -8.312 9.983 4.452 527 HA3 GLY 67 3HA GLY 67 -8.130 9.000 3.007 528 H GLN 68 HN GLN 68 -9.135 11.657 3.085 529 HA GLN 68 HA GLN 68 -11.923 11.834 3.061 530 HB2 GLN 68 2HB GLN 68 -10.312 13.752 3.069 531 HB3 GLN 68 3HB GLN 68 -10.013 13.445 1.364 532 HG2 GLN 68 2HG GLN 68 -11.665 14.854 0.937 533 HG3 GLN 68 3HG GLN 68 -12.765 13.610 1.527 534 HE21 GLN 68 1HE2 GLN 68 -11.771 16.754 1.886 535 HE22 GLN 68 2HE2 GLN 68 -12.432 17.076 3.450 536 H ASP 69 HN ASP 69 -9.840 10.269 0.848 537 HA ASP 69 HA ASP 69 -12.098 9.661 -0.865 538 HB2 ASP 69 2HB ASP 69 -10.574 10.127 -2.911 539 HB3 ASP 69 3HB ASP 69 -11.380 11.488 -2.137 540 H MET 70 HN MET 70 -11.423 8.009 -2.569 541 HA MET 70 HA MET 70 -10.286 5.789 -1.293 542 HB2 MET 70 2HB MET 70 -11.891 5.751 -3.231 543 HB3 MET 70 3HB MET 70 -10.542 6.174 -4.275 544 HG2 MET 70 2HG MET 70 -10.377 3.960 -4.537 545 HG3 MET 70 3HG MET 70 -9.508 4.040 -3.007 546 HE1 MET 70 3HE MET 70 -12.503 3.247 -0.508 547 HE2 MET 70 1HE MET 70 -10.860 3.879 -0.641 548 HE3 MET 70 2HE MET 70 -12.226 4.847 -1.197 549 H TYR 71 HN TYR 71 -8.802 8.414 -2.932 550 HA TYR 71 HA TYR 71 -6.341 6.951 -3.458 551 HB2 TYR 71 2HB TYR 71 -7.186 9.805 -3.972 552 HB3 TYR 71 3HB TYR 71 -5.552 9.221 -4.276 553 HD1 TYR 71 1HD TYR 71 -5.937 6.621 -5.472 554 HD2 TYR 71 2HD TYR 71 -8.202 10.180 -6.014 555 HE1 TYR 71 1HE TYR 71 -6.629 5.835 -7.697 556 HE2 TYR 71 2HE TYR 71 -8.902 9.403 -8.239 557 HH TYR 71 HH TYR 71 -8.445 6.208 -9.300 558 H ALA 72 HN ALA 72 -7.574 9.464 -1.312 559 HA ALA 72 HA ALA 72 -5.128 10.118 -0.074 560 HB1 ALA 72 1HB ALA 72 -6.349 11.513 1.218 561 HB2 ALA 72 2HB ALA 72 -7.603 11.161 0.029 562 HB3 ALA 72 3HB ALA 72 -7.576 10.295 1.564 563 H ALA 73 HN ALA 73 -7.683 7.819 0.814 564 HA ALA 73 HA ALA 73 -6.679 6.938 3.242 565 HB1 ALA 73 1HB ALA 73 -8.185 5.204 3.107 566 HB2 ALA 73 2HB ALA 73 -8.879 6.351 1.960 567 HB3 ALA 73 3HB ALA 73 -7.936 4.979 1.375 568 H ILE 74 HN ILE 74 -5.729 6.062 -0.022 569 HA ILE 74 HA ILE 74 -4.047 3.884 0.792 570 HB ILE 74 HB ILE 74 -4.098 5.385 -1.831 571 HG12 ILE 74 2HG1 ILE 74 -6.253 4.298 -1.221 572 HG13 ILE 74 3HG1 ILE 74 -5.507 3.590 -2.650 573 HG21 ILE 74 1HG2 ILE 74 -2.512 3.117 -0.828 574 HG22 ILE 74 2HG2 ILE 74 -3.215 2.905 -2.431 575 HG23 ILE 74 3HG2 ILE 74 -2.156 4.277 -2.108 576 HD11 ILE 74 3HD1 ILE 74 -5.561 2.454 0.132 577 HD12 ILE 74 1HD1 ILE 74 -6.373 1.830 -1.304 578 HD13 ILE 74 2HD1 ILE 74 -4.614 1.779 -1.195 579 H ASP 75 HN ASP 75 -3.662 7.311 0.254 580 HA ASP 75 HA ASP 75 -0.843 7.373 0.066 581 HB2 ASP 75 2HB ASP 75 -2.785 9.225 -0.272 582 HB3 ASP 75 3HB ASP 75 -2.199 9.686 1.324 583 H GLY 76 HN GLY 76 -2.996 8.076 2.826 584 HA2 GLY 76 2HA GLY 76 -0.874 8.303 4.701 585 HA3 GLY 76 3HA GLY 76 -2.577 8.107 5.088 586 H LEU 77 HN LEU 77 -2.877 5.611 3.653 587 HA LEU 77 HA LEU 77 -2.093 3.832 5.728 588 HB2 LEU 77 2HB LEU 77 -4.139 3.486 4.456 589 HB3 LEU 77 3HB LEU 77 -3.216 3.286 2.980 590 HG LEU 77 HG LEU 77 -2.183 1.242 3.940 591 HD11 LEU 77 1HD1 LEU 77 -4.259 1.403 6.100 592 HD12 LEU 77 2HD1 LEU 77 -2.890 0.300 5.965 593 HD13 LEU 77 3HD1 LEU 77 -2.618 2.004 6.331 594 HD21 LEU 77 3HD2 LEU 77 -5.121 1.510 3.504 595 HD22 LEU 77 1HD2 LEU 77 -3.904 0.700 2.518 596 HD23 LEU 77 2HD2 LEU 77 -4.462 -0.043 4.016 597 H ILE 78 HN ILE 78 -0.968 4.375 2.417 598 HA ILE 78 HA ILE 78 0.990 2.291 2.521 599 HB ILE 78 HB ILE 78 -0.102 3.210 0.422 600 HG12 ILE 78 2HG1 ILE 78 2.270 3.196 -0.782 601 HG13 ILE 78 3HG1 ILE 78 2.793 2.629 0.800 602 HG21 ILE 78 1HG2 ILE 78 0.930 5.616 1.313 603 HG22 ILE 78 2HG2 ILE 78 1.977 5.174 -0.034 604 HG23 ILE 78 3HG2 ILE 78 0.234 5.295 -0.273 605 HD11 ILE 78 3HD1 ILE 78 0.921 0.897 0.574 606 HD12 ILE 78 1HD1 ILE 78 0.917 1.336 -1.134 607 HD13 ILE 78 2HD1 ILE 78 2.380 0.684 -0.393 608 H ASP 79 HN ASP 79 0.874 5.503 3.666 609 HA ASP 79 HA ASP 79 3.699 6.026 3.526 610 HB2 ASP 79 2HB ASP 79 2.000 7.840 3.509 611 HB3 ASP 79 3HB ASP 79 1.572 7.423 5.166 612 H LYS 80 HN LYS 80 1.423 5.383 6.200 613 HA LYS 80 HA LYS 80 3.453 5.132 8.160 614 HB2 LYS 80 2HB LYS 80 1.718 4.309 9.624 615 HB3 LYS 80 3HB LYS 80 1.083 5.650 8.681 616 HG2 LYS 80 2HG LYS 80 0.088 3.932 7.128 617 HG3 LYS 80 3HG LYS 80 0.531 2.718 8.329 618 HD2 LYS 80 2HD LYS 80 -1.799 3.435 8.585 619 HD3 LYS 80 3HD LYS 80 -0.830 3.850 10.001 620 HE2 LYS 80 2HE LYS 80 -0.832 5.965 8.012 621 HE3 LYS 80 3HE LYS 80 -2.460 5.560 8.554 622 HZ1 LYS 80 3HZ LYS 80 -0.167 6.323 10.282 623 HZ2 LYS 80 1HZ LYS 80 -1.685 5.841 10.854 624 HZ3 LYS 80 2HZ LYS 80 -1.534 7.263 9.952 625 H LEU 81 HN LEU 81 2.017 2.913 5.891 626 HA LEU 81 HA LEU 81 2.819 0.504 7.143 627 HB2 LEU 81 2HB LEU 81 1.950 1.281 4.397 628 HB3 LEU 81 3HB LEU 81 2.708 -0.282 4.620 629 HG LEU 81 HG LEU 81 0.086 0.016 4.724 630 HD11 LEU 81 1HD1 LEU 81 0.091 -1.928 6.400 631 HD12 LEU 81 2HD1 LEU 81 0.965 -2.130 4.881 632 HD13 LEU 81 3HD1 LEU 81 1.846 -1.767 6.365 633 HD21 LEU 81 3HD2 LEU 81 0.470 1.667 6.697 634 HD22 LEU 81 1HD2 LEU 81 -0.845 0.497 6.781 635 HD23 LEU 81 2HD2 LEU 81 0.660 0.198 7.651 636 H ALA 82 HN ALA 82 4.291 2.398 4.497 637 HA ALA 82 HA ALA 82 6.525 0.783 4.088 638 HB1 ALA 82 1HB ALA 82 6.430 3.786 3.824 639 HB2 ALA 82 2HB ALA 82 7.555 2.686 3.024 640 HB3 ALA 82 3HB ALA 82 5.840 2.648 2.613 641 H ARG 83 HN ARG 83 6.317 3.728 6.093 642 HA ARG 83 HA ARG 83 8.861 3.683 7.165 643 HB2 ARG 83 2HB ARG 83 6.326 4.542 8.569 644 HB3 ARG 83 3HB ARG 83 7.960 5.012 9.016 645 HG2 ARG 83 2HG ARG 83 7.030 5.591 6.254 646 HG3 ARG 83 3HG ARG 83 6.422 6.584 7.580 647 HD2 ARG 83 2HD ARG 83 8.663 7.185 8.222 648 HD3 ARG 83 3HD ARG 83 9.343 6.070 7.038 649 HE ARG 83 HE ARG 83 7.831 7.742 5.533 650 HH11 ARG 83 2HH1 ARG 83 10.350 8.251 7.896 651 HH12 ARG 83 1HH1 ARG 83 10.911 9.716 7.165 652 HH21 ARG 83 2HH2 ARG 83 8.569 9.670 4.572 653 HH22 ARG 83 1HH2 ARG 83 9.902 10.522 5.278 654 H GLN 84 HN GLN 84 6.040 1.814 8.116 655 HA GLN 84 HA GLN 84 7.201 0.812 10.534 656 HB2 GLN 84 2HB GLN 84 4.774 0.093 8.913 657 HB3 GLN 84 3HB GLN 84 5.283 -0.909 10.266 658 HG2 GLN 84 2HG GLN 84 4.594 2.018 10.411 659 HG3 GLN 84 3HG GLN 84 3.551 0.685 10.907 660 HE21 GLN 84 1HE2 GLN 84 5.924 2.862 11.865 661 HE22 GLN 84 2HE2 GLN 84 6.292 2.177 13.408 662 H LEU 85 HN LEU 85 6.726 -0.459 7.267 663 HA LEU 85 HA LEU 85 7.757 -3.022 7.676 664 HB2 LEU 85 2HB LEU 85 7.458 -1.246 5.300 665 HB3 LEU 85 3HB LEU 85 8.450 -2.681 5.141 666 HG LEU 85 HG LEU 85 6.022 -2.866 4.409 667 HD11 LEU 85 1HD1 LEU 85 7.640 -4.704 5.990 668 HD12 LEU 85 2HD1 LEU 85 5.917 -5.085 6.006 669 HD13 LEU 85 3HD1 LEU 85 6.779 -4.959 4.472 670 HD21 LEU 85 3HD2 LEU 85 5.667 -2.497 7.349 671 HD22 LEU 85 1HD2 LEU 85 4.696 -1.892 6.009 672 HD23 LEU 85 2HD2 LEU 85 4.588 -3.587 6.479 673 H THR 86 HN THR 86 9.391 0.001 6.844 674 HA THR 86 HA THR 86 11.964 -1.114 6.483 675 HB THR 86 HB THR 86 11.401 1.698 7.413 676 HG1 THR 86 1HG THR 86 11.344 0.773 4.737 677 HG21 THR 86 3HG2 THR 86 13.512 0.614 5.566 678 HG22 THR 86 1HG2 THR 86 13.761 1.091 7.245 679 HG23 THR 86 2HG2 THR 86 13.301 2.298 6.045 680 H LYS 87 HN LYS 87 10.297 0.232 9.291 681 HA LYS 87 HA LYS 87 12.381 0.380 11.098 682 HB2 LYS 87 2HB LYS 87 9.451 -0.089 11.339 683 HB3 LYS 87 3HB LYS 87 10.443 -0.377 12.761 684 HG2 LYS 87 2HG LYS 87 11.393 2.009 12.140 685 HG3 LYS 87 3HG LYS 87 9.817 2.162 11.362 686 HD2 LYS 87 2HD LYS 87 8.976 1.200 13.675 687 HD3 LYS 87 3HD LYS 87 10.501 1.882 14.246 688 HE2 LYS 87 2HE LYS 87 9.459 3.887 12.666 689 HE3 LYS 87 3HE LYS 87 8.033 3.212 13.455 690 HZ1 LYS 87 3HZ LYS 87 10.445 3.890 15.015 691 HZ2 LYS 87 1HZ LYS 87 8.845 3.735 15.546 692 HZ3 LYS 87 2HZ LYS 87 9.304 5.078 14.627 693 H HIS 88 HN HIS 88 10.150 -2.386 10.751 694 HA HIS 88 HA HIS 88 11.733 -4.089 12.377 695 HB2 HIS 88 2HB HIS 88 10.184 -5.799 11.888 696 HB3 HIS 88 3HB HIS 88 9.245 -4.314 11.887 697 HD1 HIS 88 1HD HIS 88 7.507 -4.516 10.162 698 HD2 HIS 88 2HD HIS 88 11.115 -6.134 8.883 699 HE1 HIS 88 1HE HIS 88 7.100 -5.293 7.808 700 HE2 HIS 88 2HE HIS 88 9.318 -6.193 7.026 701 H LYS 89 HN LYS 89 11.950 -3.174 9.080 702 HA LYS 89 HA LYS 89 13.305 -5.497 8.125 703 HB2 LYS 89 2HB LYS 89 12.405 -2.977 7.052 704 HB3 LYS 89 3HB LYS 89 14.050 -3.301 6.529 705 HG2 LYS 89 2HG LYS 89 11.859 -5.333 6.271 706 HG3 LYS 89 3HG LYS 89 12.191 -4.126 5.028 707 HD2 LYS 89 2HD LYS 89 14.625 -4.990 5.178 708 HD3 LYS 89 3HD LYS 89 13.909 -6.394 5.971 709 HE2 LYS 89 2HE LYS 89 12.325 -6.462 3.946 710 HE3 LYS 89 3HE LYS 89 13.492 -5.391 3.175 711 HZ1 LYS 89 3HZ LYS 89 14.995 -7.036 2.966 712 HZ2 LYS 89 1HZ LYS 89 13.635 -8.039 3.059 713 HZ3 LYS 89 2HZ LYS 89 14.586 -7.770 4.433 714 H ASP 90 HN ASP 90 14.264 -2.727 9.936 715 HA ASP 90 HA ASP 90 17.063 -2.936 9.236 716 HB2 ASP 90 2HB ASP 90 15.395 -1.127 10.891 717 HB3 ASP 90 3HB ASP 90 17.076 -1.311 11.385 718 H LYS 91 HN LYS 91 14.919 -4.252 11.597 719 HA LYS 91 HA LYS 91 16.674 -4.779 13.703 720 HB2 LYS 91 2HB LYS 91 14.130 -5.997 12.730 721 HB3 LYS 91 3HB LYS 91 15.058 -6.867 13.946 722 HG2 LYS 91 2HG LYS 91 14.762 -5.214 15.542 723 HG3 LYS 91 3HG LYS 91 14.380 -3.982 14.338 724 HD2 LYS 91 2HD LYS 91 12.202 -4.557 14.257 725 HD3 LYS 91 3HD LYS 91 12.548 -6.282 14.393 726 HE2 LYS 91 2HE LYS 91 13.115 -4.709 16.807 727 HE3 LYS 91 3HE LYS 91 11.414 -4.773 16.347 728 HZ1 LYS 91 3HZ LYS 91 11.901 -7.298 16.127 729 HZ2 LYS 91 1HZ LYS 91 11.620 -6.628 17.655 730 HZ3 LYS 91 2HZ LYS 91 13.200 -6.961 17.156 731 H LEU 92 HN LEU 92 15.754 -6.907 10.992 732 HA LEU 92 HA LEU 92 17.683 -8.897 11.673 733 HB2 LEU 92 2HB LEU 92 15.858 -8.422 9.351 734 HB3 LEU 92 3HB LEU 92 17.126 -9.626 9.221 735 HG LEU 92 HG LEU 92 16.039 -10.426 11.535 736 HD11 LEU 92 1HD1 LEU 92 14.298 -8.439 10.891 737 HD12 LEU 92 2HD1 LEU 92 13.501 -9.849 10.194 738 HD13 LEU 92 3HD1 LEU 92 13.914 -9.826 11.908 739 HD21 LEU 92 3HD2 LEU 92 14.540 -11.262 9.121 740 HD22 LEU 92 1HD2 LEU 92 16.289 -11.474 9.101 741 HD23 LEU 92 2HD2 LEU 92 15.325 -12.235 10.366 742 H LYS 93 HN LYS 93 19.392 -7.101 11.815 743 HA LYS 93 HA LYS 93 20.826 -7.038 9.249 744 HB2 LYS 93 2HB LYS 93 19.711 -4.814 10.093 745 HB3 LYS 93 3HB LYS 93 21.096 -4.764 11.174 746 HG2 LYS 93 2HG LYS 93 22.585 -4.400 9.482 747 HG3 LYS 93 3HG LYS 93 21.584 -5.215 8.277 748 HD2 LYS 93 2HD LYS 93 19.979 -3.141 8.922 749 HD3 LYS 93 3HD LYS 93 21.564 -2.406 9.175 750 HE2 LYS 93 2HE LYS 93 22.071 -2.431 6.976 751 HE3 LYS 93 3HE LYS 93 21.271 -3.979 6.703 752 HZ1 LYS 93 3HZ LYS 93 20.198 -2.070 5.577 753 HZ2 LYS 93 1HZ LYS 93 19.829 -1.414 7.093 754 HZ3 LYS 93 2HZ LYS 93 19.163 -2.897 6.627 755 H GLN 94 HN GLN 94 23.186 -6.633 9.528 756 HA GLN 94 HA GLN 94 24.179 -7.682 12.093 757 HB2 GLN 94 2HB GLN 94 25.856 -8.996 10.877 758 HB3 GLN 94 3HB GLN 94 24.224 -9.478 10.436 759 HG2 GLN 94 2HG GLN 94 24.739 -9.184 8.310 760 HG3 GLN 94 3HG GLN 94 24.984 -7.467 8.623 761 HE21 GLN 94 1HE2 GLN 94 26.827 -10.294 9.683 762 HE22 GLN 94 2HE2 GLN 94 28.321 -9.809 8.963 763 H HIS 95 HN HIS 95 25.443 -6.229 13.028 764 HA HIS 95 HA HIS 95 26.966 -4.374 11.327 765 HB2 HIS 95 2HB HIS 95 26.294 -4.015 14.249 766 HB3 HIS 95 3HB HIS 95 26.935 -2.806 13.144 767 HD1 HIS 95 1HD HIS 95 23.807 -4.167 14.442 768 HD2 HIS 95 2HD HIS 95 25.009 -1.975 11.123 769 HE1 HIS 95 1HE HIS 95 21.699 -3.179 13.491 770 HE2 HIS 95 2HE HIS 95 22.463 -1.783 11.535 Start of MODEL 3 1 H1 MET 1 1H MET 1 5.523 -9.338 -3.241 2 H2 MET 1 2H MET 1 6.763 -10.369 -2.651 3 H3 MET 1 3H MET 1 5.115 -10.774 -2.397 4 HA MET 1 HA MET 1 6.673 -10.810 -4.878 5 HB2 MET 1 2HB MET 1 5.655 -12.706 -2.946 6 HB3 MET 1 3HB MET 1 5.009 -13.053 -4.544 7 HG2 MET 1 2HG MET 1 6.898 -14.246 -4.738 8 HG3 MET 1 3HG MET 1 7.583 -12.683 -5.179 9 HE1 MET 1 2HE MET 1 10.504 -13.600 -3.779 10 HE2 MET 1 3HE MET 1 9.575 -12.490 -4.788 11 HE3 MET 1 1HE MET 1 10.176 -11.961 -3.215 12 H GLN 2 HN GLN 2 3.360 -11.565 -3.786 13 HA GLN 2 HA GLN 2 2.354 -10.207 -6.198 14 HB2 GLN 2 2HB GLN 2 1.793 -12.927 -5.155 15 HB3 GLN 2 3HB GLN 2 0.418 -12.028 -5.784 16 HG2 GLN 2 2HG GLN 2 1.747 -11.662 -7.881 17 HG3 GLN 2 3HG GLN 2 2.931 -12.801 -7.239 18 HE21 GLN 2 1HE2 GLN 2 2.338 -13.903 -9.285 19 HE22 GLN 2 2HE2 GLN 2 1.002 -14.998 -9.254 20 H LEU 3 HN LEU 3 0.442 -9.054 -6.001 21 HA LEU 3 HA LEU 3 -0.539 -8.691 -3.244 22 HB2 LEU 3 2HB LEU 3 -0.992 -6.364 -3.784 23 HB3 LEU 3 3HB LEU 3 0.705 -6.739 -4.017 24 HG LEU 3 HG LEU 3 -0.913 -7.024 -6.447 25 HD11 LEU 3 1HD1 LEU 3 -0.648 -4.365 -6.589 26 HD12 LEU 3 2HD1 LEU 3 -2.127 -5.160 -6.049 27 HD13 LEU 3 3HD1 LEU 3 -0.980 -4.532 -4.865 28 HD21 LEU 3 3HD2 LEU 3 0.969 -5.923 -7.447 29 HD22 LEU 3 1HD2 LEU 3 1.578 -5.430 -5.867 30 HD23 LEU 3 2HD2 LEU 3 1.567 -7.136 -6.314 31 H ASN 4 HN ASN 4 -2.711 -8.658 -2.902 32 HA ASN 4 HA ASN 4 -4.427 -9.099 -5.258 33 HB2 ASN 4 2HB ASN 4 -4.051 -11.082 -3.685 34 HB3 ASN 4 3HB ASN 4 -5.000 -10.184 -2.504 35 HD21 ASN 4 1HD2 ASN 4 -5.047 -11.981 -5.449 36 HD22 ASN 4 2HD2 ASN 4 -6.764 -12.080 -5.610 37 H ILE 5 HN ILE 5 -5.911 -7.583 -5.576 38 HA ILE 5 HA ILE 5 -6.560 -5.762 -3.371 39 HB ILE 5 HB ILE 5 -7.239 -5.391 -6.284 40 HG12 ILE 5 2HG1 ILE 5 -4.836 -4.369 -4.754 41 HG13 ILE 5 3HG1 ILE 5 -4.804 -5.583 -6.028 42 HG21 ILE 5 1HG2 ILE 5 -7.214 -2.952 -5.477 43 HG22 ILE 5 2HG2 ILE 5 -8.587 -3.966 -5.029 44 HG23 ILE 5 3HG2 ILE 5 -7.311 -3.638 -3.855 45 HD11 ILE 5 3HD1 ILE 5 -6.106 -3.351 -7.112 46 HD12 ILE 5 1HD1 ILE 5 -4.704 -2.736 -6.235 47 HD13 ILE 5 2HD1 ILE 5 -4.494 -3.959 -7.490 48 H THR 6 HN THR 6 -8.598 -5.506 -2.597 49 HA THR 6 HA THR 6 -10.875 -6.635 -3.980 50 HB THR 6 HB THR 6 -10.409 -7.504 -1.140 51 HG1 THR 6 1HG THR 6 -9.473 -8.739 -3.503 52 HG21 THR 6 3HG2 THR 6 -11.750 -9.346 -2.922 53 HG22 THR 6 1HG2 THR 6 -12.568 -7.786 -2.829 54 HG23 THR 6 2HG2 THR 6 -12.257 -8.707 -1.358 55 H GLY 7 HN GLY 7 -12.375 -5.070 -3.852 56 HA2 GLY 7 2HA GLY 7 -12.430 -3.445 -1.382 57 HA3 GLY 7 3HA GLY 7 -12.719 -2.772 -2.977 58 H ASN 8 HN ASN 8 -14.292 -3.125 -0.360 59 HA ASN 8 HA ASN 8 -16.612 -4.619 -1.249 60 HB2 ASN 8 2HB ASN 8 -17.554 -3.561 0.972 61 HB3 ASN 8 3HB ASN 8 -16.404 -4.890 1.040 62 HD21 ASN 8 1HD2 ASN 8 -16.209 -3.944 3.248 63 HD22 ASN 8 2HD2 ASN 8 -15.026 -2.705 3.478 64 H ASN 9 HN ASN 9 -17.872 -3.703 -2.730 65 HA ASN 9 HA ASN 9 -19.301 -2.224 -3.717 66 HB2 ASN 9 2HB ASN 9 -19.818 -1.707 -1.207 67 HB3 ASN 9 3HB ASN 9 -18.890 -0.241 -1.500 68 HD21 ASN 9 1HD2 ASN 9 -20.773 0.975 -1.098 69 HD22 ASN 9 2HD2 ASN 9 -22.008 1.129 -2.296 70 H VAL 10 HN VAL 10 -16.698 -2.286 -4.519 71 HA VAL 10 HA VAL 10 -16.347 0.411 -5.537 72 HB VAL 10 HB VAL 10 -13.979 -0.954 -4.268 73 HG11 VAL 10 1HG1 VAL 10 -14.093 1.966 -4.631 74 HG12 VAL 10 2HG1 VAL 10 -12.767 0.836 -4.905 75 HG13 VAL 10 3HG1 VAL 10 -14.041 1.011 -6.112 76 HG21 VAL 10 3HG2 VAL 10 -15.457 -0.507 -2.447 77 HG22 VAL 10 1HG2 VAL 10 -14.218 0.749 -2.445 78 HG23 VAL 10 2HG2 VAL 10 -15.830 1.102 -3.070 79 H GLU 11 HN GLU 11 -15.607 0.410 -7.592 80 HA GLU 11 HA GLU 11 -15.070 -2.176 -8.815 81 HB2 GLU 11 2HB GLU 11 -16.523 -0.037 -9.663 82 HB3 GLU 11 3HB GLU 11 -15.002 0.244 -10.501 83 HG2 GLU 11 2HG GLU 11 -15.407 -1.367 -11.971 84 HG3 GLU 11 3HG GLU 11 -15.844 -2.515 -10.706 85 H ILE 12 HN ILE 12 -13.098 -2.886 -9.283 86 HA ILE 12 HA ILE 12 -10.792 -1.269 -8.732 87 HB ILE 12 HB ILE 12 -10.936 -4.024 -9.965 88 HG12 ILE 12 2HG1 ILE 12 -11.967 -3.808 -7.686 89 HG13 ILE 12 3HG1 ILE 12 -10.590 -4.902 -7.756 90 HG21 ILE 12 1HG2 ILE 12 -8.676 -2.337 -8.970 91 HG22 ILE 12 2HG2 ILE 12 -8.571 -4.096 -8.908 92 HG23 ILE 12 3HG2 ILE 12 -8.799 -3.281 -10.455 93 HD11 ILE 12 3HD1 ILE 12 -10.406 -3.615 -5.769 94 HD12 ILE 12 1HD1 ILE 12 -9.175 -3.037 -6.891 95 HD13 ILE 12 2HD1 ILE 12 -10.655 -2.108 -6.651 96 H THR 13 HN THR 13 -10.592 0.388 -10.178 97 HA THR 13 HA THR 13 -10.616 -0.230 -13.039 98 HB THR 13 HB THR 13 -10.422 2.291 -13.260 99 HG1 THR 13 1HG THR 13 -10.282 3.462 -11.530 100 HG21 THR 13 3HG2 THR 13 -12.697 2.744 -12.866 101 HG22 THR 13 1HG2 THR 13 -12.813 1.485 -11.637 102 HG23 THR 13 2HG2 THR 13 -12.607 1.045 -13.332 103 H GLU 14 HN GLU 14 -8.861 0.117 -14.380 104 HA GLU 14 HA GLU 14 -6.400 -0.635 -13.784 105 HB2 GLU 14 2HB GLU 14 -7.322 1.447 -15.721 106 HB3 GLU 14 3HB GLU 14 -5.602 1.127 -15.552 107 HG2 GLU 14 2HG GLU 14 -5.952 -0.413 -17.127 108 HG3 GLU 14 3HG GLU 14 -6.580 -1.388 -15.801 109 H ALA 15 HN ALA 15 -7.266 2.836 -13.623 110 HA ALA 15 HA ALA 15 -4.835 3.758 -12.637 111 HB1 ALA 15 1HB ALA 15 -6.574 5.246 -13.473 112 HB2 ALA 15 2HB ALA 15 -7.594 4.851 -12.090 113 HB3 ALA 15 3HB ALA 15 -6.077 5.717 -11.847 114 H LEU 16 HN LEU 16 -7.705 2.672 -10.854 115 HA LEU 16 HA LEU 16 -6.842 3.189 -8.271 116 HB2 LEU 16 2HB LEU 16 -9.085 2.170 -9.316 117 HB3 LEU 16 3HB LEU 16 -8.358 0.684 -8.734 118 HG LEU 16 HG LEU 16 -9.870 1.523 -7.066 119 HD11 LEU 16 1HD1 LEU 16 -8.252 1.906 -5.170 120 HD12 LEU 16 2HD1 LEU 16 -7.995 0.444 -6.121 121 HD13 LEU 16 3HD1 LEU 16 -6.964 1.851 -6.374 122 HD21 LEU 16 3HD2 LEU 16 -9.319 3.742 -5.960 123 HD22 LEU 16 1HD2 LEU 16 -8.337 4.087 -7.382 124 HD23 LEU 16 2HD2 LEU 16 -10.071 3.813 -7.553 125 H ARG 17 HN ARG 17 -6.847 -0.033 -9.752 126 HA ARG 17 HA ARG 17 -5.162 -1.240 -7.885 127 HB2 ARG 17 2HB ARG 17 -4.766 -2.980 -9.621 128 HB3 ARG 17 3HB ARG 17 -6.465 -2.597 -9.382 129 HG2 ARG 17 2HG ARG 17 -6.594 -2.393 -11.586 130 HG3 ARG 17 3HG ARG 17 -5.701 -0.883 -11.403 131 HD2 ARG 17 2HD ARG 17 -3.639 -2.560 -11.407 132 HD3 ARG 17 3HD ARG 17 -4.775 -3.549 -12.322 133 HE ARG 17 HE ARG 17 -4.497 -0.824 -13.246 134 HH11 ARG 17 2HH1 ARG 17 -3.378 -4.118 -13.545 135 HH12 ARG 17 1HH1 ARG 17 -2.755 -3.892 -15.144 136 HH21 ARG 17 2HH2 ARG 17 -3.677 -0.528 -15.350 137 HH22 ARG 17 1HH2 ARG 17 -2.925 -1.856 -16.168 138 H GLU 18 HN GLU 18 -4.380 0.438 -10.890 139 HA GLU 18 HA GLU 18 -1.647 -0.174 -10.982 140 HB2 GLU 18 2HB GLU 18 -2.857 0.769 -12.885 141 HB3 GLU 18 3HB GLU 18 -3.094 2.273 -12.007 142 HG2 GLU 18 2HG GLU 18 -0.388 1.996 -11.908 143 HG3 GLU 18 3HG GLU 18 -0.770 1.297 -13.482 144 H PHE 19 HN PHE 19 -3.259 2.743 -9.691 145 HA PHE 19 HA PHE 19 -0.945 4.014 -8.804 146 HB2 PHE 19 2HB PHE 19 -2.331 5.601 -7.950 147 HB3 PHE 19 3HB PHE 19 -3.514 4.750 -8.925 148 HD1 PHE 19 1HD PHE 19 -2.115 4.730 -5.459 149 HD2 PHE 19 2HD PHE 19 -5.482 4.148 -7.979 150 HE1 PHE 19 1HE PHE 19 -3.536 4.409 -3.476 151 HE2 PHE 19 2HE PHE 19 -6.913 3.818 -6.005 152 HZ PHE 19 HZ PHE 19 -5.939 3.951 -3.751 153 H VAL 20 HN VAL 20 -3.070 1.756 -7.061 154 HA VAL 20 HA VAL 20 -1.754 1.887 -4.584 155 HB VAL 20 HB VAL 20 -3.017 -0.633 -5.647 156 HG11 VAL 20 1HG1 VAL 20 -3.798 -0.531 -3.130 157 HG12 VAL 20 2HG1 VAL 20 -2.211 -1.157 -3.576 158 HG13 VAL 20 3HG1 VAL 20 -2.370 0.493 -2.973 159 HG21 VAL 20 3HG2 VAL 20 -4.923 0.869 -4.190 160 HG22 VAL 20 1HG2 VAL 20 -4.256 1.929 -5.432 161 HG23 VAL 20 2HG2 VAL 20 -4.978 0.385 -5.885 162 H THR 21 HN THR 21 -1.315 -0.351 -7.310 163 HA THR 21 HA THR 21 0.789 -1.835 -6.176 164 HB THR 21 HB THR 21 0.280 -1.308 -9.110 165 HG1 THR 21 1HG THR 21 -1.576 -2.135 -8.177 166 HG21 THR 21 3HG2 THR 21 2.361 -2.403 -8.920 167 HG22 THR 21 1HG2 THR 21 1.177 -3.637 -9.351 168 HG23 THR 21 2HG2 THR 21 1.747 -3.506 -7.688 169 H ALA 22 HN ALA 22 0.676 1.223 -7.831 170 HA ALA 22 HA ALA 22 3.314 1.541 -8.630 171 HB1 ALA 22 1HB ALA 22 1.073 3.135 -8.570 172 HB2 ALA 22 2HB ALA 22 2.184 3.971 -7.486 173 HB3 ALA 22 3HB ALA 22 2.668 3.618 -9.145 174 H LYS 23 HN LYS 23 1.836 2.168 -5.470 175 HA LYS 23 HA LYS 23 4.221 3.139 -4.257 176 HB2 LYS 23 2HB LYS 23 1.658 2.049 -3.090 177 HB3 LYS 23 3HB LYS 23 2.970 2.684 -2.110 178 HG2 LYS 23 2HG LYS 23 1.453 4.238 -4.196 179 HG3 LYS 23 3HG LYS 23 1.175 4.311 -2.454 180 HD2 LYS 23 2HD LYS 23 2.901 5.697 -2.137 181 HD3 LYS 23 3HD LYS 23 3.967 4.737 -3.164 182 HE2 LYS 23 2HE LYS 23 3.068 5.788 -5.144 183 HE3 LYS 23 3HE LYS 23 1.882 6.665 -4.180 184 HZ1 LYS 23 3HZ LYS 23 3.518 8.022 -3.267 185 HZ2 LYS 23 1HZ LYS 23 3.975 7.897 -4.891 186 HZ3 LYS 23 2HZ LYS 23 4.782 6.990 -3.715 187 H PHE 24 HN PHE 24 2.476 0.043 -3.954 188 HA PHE 24 HA PHE 24 4.203 -1.309 -2.303 189 HB2 PHE 24 2HB PHE 24 2.248 -2.090 -4.368 190 HB3 PHE 24 3HB PHE 24 3.457 -3.312 -3.991 191 HD1 PHE 24 1HD PHE 24 0.712 -1.283 -2.629 192 HD2 PHE 24 2HD PHE 24 3.448 -4.462 -1.906 193 HE1 PHE 24 1HE PHE 24 -0.570 -1.927 -0.632 194 HE2 PHE 24 2HE PHE 24 2.170 -5.113 0.092 195 HZ PHE 24 HZ PHE 24 0.157 -3.847 0.732 196 H ALA 25 HN ALA 25 4.356 -1.213 -5.864 197 HA ALA 25 HA ALA 25 6.582 -2.788 -6.268 198 HB1 ALA 25 1HB ALA 25 6.506 -2.070 -8.405 199 HB2 ALA 25 2HB ALA 25 4.982 -1.349 -7.888 200 HB3 ALA 25 3HB ALA 25 6.448 -0.368 -7.946 201 H LYS 26 HN LYS 26 6.523 0.740 -5.762 202 HA LYS 26 HA LYS 26 9.272 1.177 -5.841 203 HB2 LYS 26 2HB LYS 26 7.173 2.802 -5.622 204 HB3 LYS 26 3HB LYS 26 7.630 2.761 -3.926 205 HG2 LYS 26 2HG LYS 26 9.928 3.192 -5.620 206 HG3 LYS 26 3HG LYS 26 8.677 4.401 -5.904 207 HD2 LYS 26 2HD LYS 26 9.733 3.664 -3.177 208 HD3 LYS 26 3HD LYS 26 10.319 5.026 -4.133 209 HE2 LYS 26 2HE LYS 26 8.213 6.114 -4.033 210 HE3 LYS 26 3HE LYS 26 7.426 4.677 -3.383 211 HZ1 LYS 26 3HZ LYS 26 7.869 6.399 -1.700 212 HZ2 LYS 26 1HZ LYS 26 9.529 6.221 -1.968 213 HZ3 LYS 26 2HZ LYS 26 8.630 4.932 -1.345 214 H LEU 27 HN LEU 27 7.278 -0.180 -3.345 215 HA LEU 27 HA LEU 27 9.260 0.123 -1.271 216 HB2 LEU 27 2HB LEU 27 6.555 -1.123 -1.469 217 HB3 LEU 27 3HB LEU 27 7.609 -1.602 -0.153 218 HG LEU 27 HG LEU 27 7.794 0.847 0.449 219 HD11 LEU 27 1HD1 LEU 27 6.298 2.419 -0.440 220 HD12 LEU 27 2HD1 LEU 27 6.955 1.571 -1.840 221 HD13 LEU 27 3HD1 LEU 27 5.342 1.177 -1.248 222 HD21 LEU 27 3HD2 LEU 27 6.334 -0.806 1.608 223 HD22 LEU 27 1HD2 LEU 27 5.739 0.853 1.678 224 HD23 LEU 27 2HD2 LEU 27 5.010 -0.299 0.560 225 H GLU 28 HN GLU 28 8.313 -2.257 -3.611 226 HA GLU 28 HA GLU 28 9.485 -4.543 -2.493 227 HB2 GLU 28 2HB GLU 28 7.898 -4.451 -4.448 228 HB3 GLU 28 3HB GLU 28 9.255 -3.934 -5.438 229 HG2 GLU 28 2HG GLU 28 10.079 -6.000 -5.598 230 HG3 GLU 28 3HG GLU 28 9.793 -6.347 -3.893 231 H GLN 29 HN GLN 29 10.970 -1.736 -3.702 232 HA GLN 29 HA GLN 29 13.335 -2.885 -4.778 233 HB2 GLN 29 2HB GLN 29 12.534 -0.573 -5.260 234 HB3 GLN 29 3HB GLN 29 12.960 -0.122 -3.614 235 HG2 GLN 29 2HG GLN 29 15.095 0.155 -4.145 236 HG3 GLN 29 3HG GLN 29 15.167 -1.399 -4.975 237 HE21 GLN 29 1HE2 GLN 29 15.571 -1.313 -7.059 238 HE22 GLN 29 2HE2 GLN 29 15.270 0.028 -8.104 239 H TYR 30 HN TYR 30 12.766 -1.186 -1.684 240 HA TYR 30 HA TYR 30 15.247 -2.300 -0.649 241 HB2 TYR 30 2HB TYR 30 14.550 -0.893 1.418 242 HB3 TYR 30 3HB TYR 30 15.110 -0.070 -0.032 243 HD1 TYR 30 1HD TYR 30 11.792 -1.467 0.988 244 HD2 TYR 30 2HD TYR 30 14.006 1.936 -0.275 245 HE1 TYR 30 1HE TYR 30 9.724 -0.142 0.959 246 HE2 TYR 30 2HE TYR 30 11.944 3.272 -0.308 247 HH TYR 30 HH TYR 30 9.066 2.210 -0.502 248 H PHE 31 HN PHE 31 11.981 -3.161 -0.666 249 HA PHE 31 HA PHE 31 12.276 -4.706 1.818 250 HB2 PHE 31 2HB PHE 31 9.805 -3.923 0.263 251 HB3 PHE 31 3HB PHE 31 9.787 -5.037 1.622 252 HD1 PHE 31 1HD PHE 31 12.082 -3.255 3.013 253 HD2 PHE 31 2HD PHE 31 8.181 -2.536 1.469 254 HE1 PHE 31 1HE PHE 31 11.825 -1.360 4.557 255 HE2 PHE 31 2HE PHE 31 7.920 -0.636 3.009 256 HZ PHE 31 HZ PHE 31 9.743 -0.045 4.554 257 H ASP 32 HN ASP 32 12.781 -6.771 1.626 258 HA ASP 32 HA ASP 32 12.172 -8.144 -0.903 259 HB2 ASP 32 2HB ASP 32 13.965 -9.745 -0.209 260 HB3 ASP 32 3HB ASP 32 14.539 -8.101 -0.466 261 H ARG 33 HN ARG 33 11.609 -8.147 2.509 262 HA ARG 33 HA ARG 33 10.653 -10.858 2.636 263 HB2 ARG 33 2HB ARG 33 10.099 -8.685 4.648 264 HB3 ARG 33 3HB ARG 33 10.153 -10.421 4.914 265 HG2 ARG 33 2HG ARG 33 12.574 -8.869 4.060 266 HG3 ARG 33 3HG ARG 33 12.116 -9.049 5.755 267 HD2 ARG 33 2HD ARG 33 12.144 -11.548 4.216 268 HD3 ARG 33 3HD ARG 33 13.717 -10.769 4.380 269 HE ARG 33 HE ARG 33 12.256 -10.993 6.850 270 HH11 ARG 33 2HH1 ARG 33 14.480 -12.578 4.676 271 HH12 ARG 33 1HH1 ARG 33 15.144 -13.602 5.904 272 HH21 ARG 33 2HH2 ARG 33 13.129 -12.341 8.465 273 HH22 ARG 33 1HH2 ARG 33 14.377 -13.470 8.054 274 H ILE 34 HN ILE 34 9.183 -10.541 0.754 275 HA ILE 34 HA ILE 34 6.526 -9.814 1.731 276 HB ILE 34 HB ILE 34 7.497 -8.889 -0.970 277 HG12 ILE 34 2HG1 ILE 34 7.073 -7.217 1.517 278 HG13 ILE 34 3HG1 ILE 34 8.652 -7.712 0.911 279 HG21 ILE 34 1HG2 ILE 34 5.104 -7.832 0.461 280 HG22 ILE 34 2HG2 ILE 34 5.432 -7.923 -1.270 281 HG23 ILE 34 3HG2 ILE 34 5.001 -9.382 -0.376 282 HD11 ILE 34 3HD1 ILE 34 7.376 -6.527 -1.262 283 HD12 ILE 34 1HD1 ILE 34 6.995 -5.504 0.122 284 HD13 ILE 34 2HD1 ILE 34 8.677 -5.853 -0.283 285 H ASN 35 HN ASN 35 5.157 -11.418 1.333 286 HA ASN 35 HA ASN 35 5.712 -13.199 -0.949 287 HB2 ASN 35 2HB ASN 35 4.327 -14.867 0.550 288 HB3 ASN 35 3HB ASN 35 6.050 -14.637 0.820 289 HD21 ASN 35 1HD2 ASN 35 6.730 -13.368 2.588 290 HD22 ASN 35 2HD2 ASN 35 5.695 -13.104 3.945 291 H GLN 36 HN GLN 36 2.978 -12.505 1.245 292 HA GLN 36 HA GLN 36 1.294 -12.115 -1.136 293 HB2 GLN 36 2HB GLN 36 0.890 -14.344 -0.119 294 HB3 GLN 36 3HB GLN 36 0.464 -13.551 1.391 295 HG2 GLN 36 2HG GLN 36 -1.612 -13.851 0.546 296 HG3 GLN 36 3HG GLN 36 -1.246 -12.286 -0.176 297 HE21 GLN 36 1HE2 GLN 36 -1.728 -15.659 -0.736 298 HE22 GLN 36 2HE2 GLN 36 -1.738 -15.589 -2.462 299 H VAL 37 HN VAL 37 0.397 -10.173 -1.165 300 HA VAL 37 HA VAL 37 -0.207 -8.858 1.401 301 HB VAL 37 HB VAL 37 0.130 -6.690 -0.050 302 HG11 VAL 37 1HG1 VAL 37 2.052 -8.348 1.470 303 HG12 VAL 37 2HG1 VAL 37 2.710 -6.991 0.556 304 HG13 VAL 37 3HG1 VAL 37 1.470 -6.713 1.778 305 HG21 VAL 37 3HG2 VAL 37 2.169 -7.045 -1.538 306 HG22 VAL 37 1HG2 VAL 37 1.743 -8.756 -1.519 307 HG23 VAL 37 2HG2 VAL 37 0.610 -7.573 -2.171 308 H TYR 38 HN TYR 38 -2.180 -7.945 1.613 309 HA TYR 38 HA TYR 38 -3.876 -7.736 -0.776 310 HB2 TYR 38 2HB TYR 38 -5.768 -8.507 0.886 311 HB3 TYR 38 3HB TYR 38 -4.782 -9.692 0.038 312 HD1 TYR 38 1HD TYR 38 -2.675 -10.543 1.315 313 HD2 TYR 38 2HD TYR 38 -5.980 -8.632 3.193 314 HE1 TYR 38 1HE TYR 38 -2.025 -11.545 3.465 315 HE2 TYR 38 2HE TYR 38 -5.338 -9.628 5.348 316 HH TYR 38 HH TYR 38 -3.765 -12.024 5.875 317 H VAL 39 HN VAL 39 -5.501 -6.178 -0.694 318 HA VAL 39 HA VAL 39 -5.528 -4.387 1.630 319 HB VAL 39 HB VAL 39 -5.360 -3.310 -1.182 320 HG11 VAL 39 1HG1 VAL 39 -5.180 -1.201 -0.219 321 HG12 VAL 39 2HG1 VAL 39 -6.389 -2.001 0.785 322 HG13 VAL 39 3HG1 VAL 39 -4.729 -1.851 1.356 323 HG21 VAL 39 3HG2 VAL 39 -3.117 -3.497 0.826 324 HG22 VAL 39 1HG2 VAL 39 -3.283 -4.519 -0.603 325 HG23 VAL 39 2HG2 VAL 39 -3.037 -2.782 -0.785 326 H VAL 40 HN VAL 40 -7.460 -3.275 1.956 327 HA VAL 40 HA VAL 40 -9.618 -3.708 0.028 328 HB VAL 40 HB VAL 40 -9.989 -4.280 2.971 329 HG11 VAL 40 1HG1 VAL 40 -12.115 -3.866 2.361 330 HG12 VAL 40 2HG1 VAL 40 -11.774 -4.078 0.645 331 HG13 VAL 40 3HG1 VAL 40 -12.036 -5.488 1.672 332 HG21 VAL 40 3HG2 VAL 40 -10.262 -6.668 2.177 333 HG22 VAL 40 1HG2 VAL 40 -9.511 -6.154 0.667 334 HG23 VAL 40 2HG2 VAL 40 -8.616 -6.035 2.182 335 H LEU 41 HN LEU 41 -10.906 -2.033 -0.219 336 HA LEU 41 HA LEU 41 -10.848 0.100 1.794 337 HB2 LEU 41 2HB LEU 41 -11.027 1.623 -0.342 338 HB3 LEU 41 3HB LEU 41 -9.478 1.105 0.289 339 HG LEU 41 HG LEU 41 -9.603 0.947 -2.162 340 HD11 LEU 41 1HD1 LEU 41 -8.547 -0.877 -0.423 341 HD12 LEU 41 2HD1 LEU 41 -9.440 -1.882 -1.565 342 HD13 LEU 41 3HD1 LEU 41 -8.205 -0.769 -2.150 343 HD21 LEU 41 3HD2 LEU 41 -11.560 -1.296 -1.823 344 HD22 LEU 41 1HD2 LEU 41 -12.074 0.359 -2.153 345 HD23 LEU 41 2HD2 LEU 41 -11.050 -0.494 -3.309 346 H LYS 42 HN LYS 42 -12.768 0.814 2.395 347 HA LYS 42 HA LYS 42 -15.116 0.031 0.812 348 HB2 LYS 42 2HB LYS 42 -15.280 -0.776 3.045 349 HB3 LYS 42 3HB LYS 42 -14.778 0.769 3.719 350 HG2 LYS 42 2HG LYS 42 -16.890 1.762 2.869 351 HG3 LYS 42 3HG LYS 42 -17.392 0.148 2.359 352 HD2 LYS 42 2HD LYS 42 -18.360 0.717 4.524 353 HD3 LYS 42 3HD LYS 42 -17.232 -0.632 4.674 354 HE2 LYS 42 2HE LYS 42 -15.535 0.806 5.566 355 HE3 LYS 42 3HE LYS 42 -16.507 2.239 5.235 356 HZ1 LYS 42 3HZ LYS 42 -17.002 0.135 7.259 357 HZ2 LYS 42 1HZ LYS 42 -18.186 1.255 6.807 358 HZ3 LYS 42 2HZ LYS 42 -16.745 1.787 7.516 359 H VAL 43 HN VAL 43 -16.470 1.510 -0.050 360 HA VAL 43 HA VAL 43 -15.777 4.345 0.361 361 HB VAL 43 HB VAL 43 -17.020 3.112 -2.100 362 HG11 VAL 43 1HG1 VAL 43 -17.684 5.262 -2.336 363 HG12 VAL 43 2HG1 VAL 43 -16.445 5.879 -1.242 364 HG13 VAL 43 3HG1 VAL 43 -16.030 5.474 -2.907 365 HG21 VAL 43 3HG2 VAL 43 -14.537 2.595 -1.469 366 HG22 VAL 43 1HG2 VAL 43 -14.957 3.050 -3.119 367 HG23 VAL 43 2HG2 VAL 43 -14.261 4.244 -2.026 368 H GLU 44 HN GLU 44 -17.233 5.423 1.478 369 HA GLU 44 HA GLU 44 -20.075 4.938 0.961 370 HB2 GLU 44 2HB GLU 44 -20.433 5.330 3.478 371 HB3 GLU 44 3HB GLU 44 -19.858 3.750 2.965 372 HG2 GLU 44 2HG GLU 44 -17.563 4.427 3.534 373 HG3 GLU 44 3HG GLU 44 -18.186 5.973 4.110 374 H LYS 45 HN LYS 45 -21.439 6.735 1.381 375 HA LYS 45 HA LYS 45 -20.442 9.196 0.589 376 HB2 LYS 45 2HB LYS 45 -22.834 8.462 0.518 377 HB3 LYS 45 3HB LYS 45 -22.928 8.764 2.247 378 HG2 LYS 45 2HG LYS 45 -21.878 11.103 1.125 379 HG3 LYS 45 3HG LYS 45 -23.188 10.598 0.057 380 HD2 LYS 45 2HD LYS 45 -24.398 10.233 2.410 381 HD3 LYS 45 3HD LYS 45 -23.270 11.507 2.877 382 HE2 LYS 45 2HE LYS 45 -24.192 13.039 1.396 383 HE3 LYS 45 3HE LYS 45 -24.927 11.783 0.401 384 HZ1 LYS 45 3HZ LYS 45 -25.793 12.312 3.182 385 HZ2 LYS 45 1HZ LYS 45 -26.600 11.423 1.989 386 HZ3 LYS 45 2HZ LYS 45 -26.477 13.105 1.854 387 H VAL 46 HN VAL 46 -20.341 7.762 3.719 388 HA VAL 46 HA VAL 46 -20.077 10.278 5.115 389 HB VAL 46 HB VAL 46 -19.630 7.482 6.156 390 HG11 VAL 46 1HG1 VAL 46 -20.479 9.552 8.023 391 HG12 VAL 46 2HG1 VAL 46 -19.194 8.355 8.168 392 HG13 VAL 46 3HG1 VAL 46 -18.898 9.867 7.308 393 HG21 VAL 46 3HG2 VAL 46 -21.975 8.387 5.218 394 HG22 VAL 46 1HG2 VAL 46 -21.837 7.270 6.576 395 HG23 VAL 46 2HG2 VAL 46 -22.056 8.995 6.873 396 H THR 47 HN THR 47 -17.904 7.512 5.563 397 HA THR 47 HA THR 47 -15.640 9.267 4.892 398 HB THR 47 HB THR 47 -15.516 7.287 7.152 399 HG1 THR 47 1HG THR 47 -16.138 10.038 7.404 400 HG21 THR 47 3HG2 THR 47 -13.996 9.851 6.868 401 HG22 THR 47 1HG2 THR 47 -13.429 8.341 6.153 402 HG23 THR 47 2HG2 THR 47 -13.647 8.463 7.900 403 H HIS 48 HN HIS 48 -13.730 8.220 4.176 404 HA HIS 48 HA HIS 48 -14.262 5.639 2.902 405 HB2 HIS 48 2HB HIS 48 -11.934 7.522 2.466 406 HB3 HIS 48 3HB HIS 48 -12.361 6.130 1.477 407 HD1 HIS 48 1HD HIS 48 -12.983 7.191 -0.691 408 HD2 HIS 48 2HD HIS 48 -14.819 9.040 2.547 409 HE1 HIS 48 1HE HIS 48 -14.590 8.850 -1.685 410 HE2 HIS 48 2HE HIS 48 -15.622 10.020 0.294 411 H THR 49 HN THR 49 -13.227 3.796 3.468 412 HA THR 49 HA THR 49 -11.019 4.020 5.407 413 HB THR 49 HB THR 49 -13.232 1.961 5.447 414 HG1 THR 49 1HG THR 49 -13.983 3.055 7.211 415 HG21 THR 49 3HG2 THR 49 -10.811 1.465 6.384 416 HG22 THR 49 1HG2 THR 49 -12.271 0.939 7.224 417 HG23 THR 49 2HG2 THR 49 -11.425 2.395 7.750 418 H SER 50 HN SER 50 -9.302 2.702 5.137 419 HA SER 50 HA SER 50 -9.444 0.537 3.176 420 HB2 SER 50 2HB SER 50 -7.103 2.400 3.011 421 HB3 SER 50 3HB SER 50 -7.771 1.331 1.777 422 HG SER 50 HG SER 50 -8.735 3.061 1.089 423 H ASP 51 HN ASP 51 -8.142 -1.177 3.635 424 HA ASP 51 HA ASP 51 -6.362 -0.898 5.968 425 HB2 ASP 51 2HB ASP 51 -6.913 -3.217 6.559 426 HB3 ASP 51 3HB ASP 51 -8.360 -2.217 6.509 427 H ALA 52 HN ALA 52 -4.422 -2.080 5.969 428 HA ALA 52 HA ALA 52 -3.688 -3.401 3.454 429 HB1 ALA 52 1HB ALA 52 -2.116 -1.207 4.793 430 HB2 ALA 52 2HB ALA 52 -1.483 -2.244 3.514 431 HB3 ALA 52 3HB ALA 52 -2.848 -1.175 3.188 432 H THR 53 HN THR 53 -3.222 -5.405 4.032 433 HA THR 53 HA THR 53 -1.735 -5.860 6.534 434 HB THR 53 HB THR 53 -3.095 -8.069 5.046 435 HG1 THR 53 1HG THR 53 -4.364 -6.085 6.607 436 HG21 THR 53 3HG2 THR 53 -3.227 -9.150 7.062 437 HG22 THR 53 1HG2 THR 53 -3.155 -7.654 7.993 438 HG23 THR 53 2HG2 THR 53 -1.699 -8.284 7.222 439 H LEU 54 HN LEU 54 0.388 -5.961 6.115 440 HA LEU 54 HA LEU 54 1.300 -7.270 3.661 441 HB2 LEU 54 2HB LEU 54 2.543 -5.364 5.602 442 HB3 LEU 54 3HB LEU 54 3.571 -6.364 4.592 443 HG LEU 54 HG LEU 54 2.659 -5.382 2.586 444 HD11 LEU 54 1HD1 LEU 54 0.463 -4.884 2.783 445 HD12 LEU 54 2HD1 LEU 54 0.619 -4.362 4.462 446 HD13 LEU 54 3HD1 LEU 54 1.103 -3.283 3.154 447 HD21 LEU 54 3HD2 LEU 54 3.109 -2.861 3.250 448 HD22 LEU 54 1HD2 LEU 54 3.694 -3.614 4.734 449 HD23 LEU 54 2HD2 LEU 54 4.410 -4.052 3.183 450 H HIS 55 HN HIS 55 2.703 -9.005 3.657 451 HA HIS 55 HA HIS 55 2.861 -10.475 6.199 452 HB2 HIS 55 2HB HIS 55 2.694 -11.331 3.334 453 HB3 HIS 55 3HB HIS 55 3.455 -12.399 4.508 454 HD1 HIS 55 1HD HIS 55 1.915 -13.943 5.676 455 HD2 HIS 55 2HD HIS 55 -0.064 -10.604 4.195 456 HE1 HIS 55 1HE HIS 55 -0.521 -14.337 6.160 457 HE2 HIS 55 2HE HIS 55 -1.692 -12.269 5.322 458 H VAL 56 HN VAL 56 4.781 -11.159 7.016 459 HA VAL 56 HA VAL 56 7.213 -10.593 5.461 460 HB VAL 56 HB VAL 56 6.953 -10.039 8.417 461 HG11 VAL 56 1HG1 VAL 56 9.207 -10.563 7.764 462 HG12 VAL 56 2HG1 VAL 56 9.116 -9.442 6.405 463 HG13 VAL 56 3HG1 VAL 56 9.089 -8.828 8.058 464 HG21 VAL 56 3HG2 VAL 56 7.022 -7.645 7.775 465 HG22 VAL 56 1HG2 VAL 56 6.839 -8.127 6.088 466 HG23 VAL 56 2HG2 VAL 56 5.555 -8.466 7.247 467 H ASN 57 HN ASN 57 9.086 -11.820 6.109 468 HA ASN 57 HA ASN 57 8.538 -14.538 6.554 469 HB2 ASN 57 2HB ASN 57 11.184 -13.115 6.920 470 HB3 ASN 57 3HB ASN 57 10.951 -14.840 6.650 471 HD21 ASN 57 1HD2 ASN 57 11.681 -15.299 4.706 472 HD22 ASN 57 2HD2 ASN 57 11.339 -14.419 3.259 473 H GLY 58 HN GLY 58 7.571 -15.134 8.419 474 HA2 GLY 58 2HA GLY 58 7.784 -15.923 10.625 475 HA3 GLY 58 3HA GLY 58 9.127 -14.817 10.867 476 H GLY 59 HN GLY 59 7.188 -12.730 9.554 477 HA2 GLY 59 2HA GLY 59 5.417 -12.334 11.862 478 HA3 GLY 59 3HA GLY 59 6.563 -11.067 11.457 479 H GLU 60 HN GLU 60 3.750 -10.756 11.537 480 HA GLU 60 HA GLU 60 3.299 -9.941 8.760 481 HB2 GLU 60 2HB GLU 60 1.305 -11.453 10.456 482 HB3 GLU 60 3HB GLU 60 0.933 -10.692 8.915 483 HG2 GLU 60 2HG GLU 60 1.429 -12.636 7.976 484 HG3 GLU 60 3HG GLU 60 3.115 -12.272 8.338 485 H ILE 61 HN ILE 61 2.732 -7.870 8.658 486 HA ILE 61 HA ILE 61 1.781 -6.557 11.106 487 HB ILE 61 HB ILE 61 2.817 -5.231 8.601 488 HG12 ILE 61 2HG1 ILE 61 4.543 -5.184 10.967 489 HG13 ILE 61 3HG1 ILE 61 4.314 -6.802 10.312 490 HG21 ILE 61 1HG2 ILE 61 2.534 -3.258 9.634 491 HG22 ILE 61 2HG2 ILE 61 1.384 -4.145 10.634 492 HG23 ILE 61 3HG2 ILE 61 3.034 -3.892 11.202 493 HD11 ILE 61 3HD1 ILE 61 4.828 -5.442 8.050 494 HD12 ILE 61 1HD1 ILE 61 5.764 -4.501 9.210 495 HD13 ILE 61 2HD1 ILE 61 6.063 -6.230 9.033 496 H HIS 62 HN HIS 62 -0.116 -5.406 11.170 497 HA HIS 62 HA HIS 62 -1.723 -5.299 8.717 498 HB2 HIS 62 2HB HIS 62 -2.406 -7.245 10.161 499 HB3 HIS 62 3HB HIS 62 -2.845 -6.087 11.411 500 HD1 HIS 62 1HD HIS 62 -5.079 -7.792 10.496 501 HD2 HIS 62 2HD HIS 62 -4.073 -4.273 8.531 502 HE1 HIS 62 1HE HIS 62 -7.151 -7.104 9.249 503 HE2 HIS 62 2HE HIS 62 -6.491 -5.018 7.998 504 H ALA 63 HN ALA 63 -2.032 -3.201 8.335 505 HA ALA 63 HA ALA 63 -2.819 -1.482 10.591 506 HB1 ALA 63 1HB ALA 63 -0.520 -1.202 8.851 507 HB2 ALA 63 2HB ALA 63 -1.555 0.225 8.811 508 HB3 ALA 63 3HB ALA 63 -0.913 -0.356 10.347 509 H SER 64 HN SER 64 -4.092 0.407 9.973 510 HA SER 64 HA SER 64 -5.336 0.267 7.333 511 HB2 SER 64 2HB SER 64 -6.807 -1.060 8.762 512 HB3 SER 64 3HB SER 64 -6.877 0.250 9.941 513 HG SER 64 HG SER 64 -8.648 0.601 8.768 514 H ALA 65 HN ALA 65 -6.319 2.234 6.666 515 HA ALA 65 HA ALA 65 -6.029 4.544 8.421 516 HB1 ALA 65 1HB ALA 65 -4.452 5.662 7.239 517 HB2 ALA 65 2HB ALA 65 -3.943 4.022 6.836 518 HB3 ALA 65 3HB ALA 65 -4.933 4.942 5.702 519 H GLU 66 HN GLU 66 -6.935 6.541 7.388 520 HA GLU 66 HA GLU 66 -8.988 5.967 5.376 521 HB2 GLU 66 2HB GLU 66 -9.558 7.489 7.924 522 HB3 GLU 66 3HB GLU 66 -10.707 7.084 6.657 523 HG2 GLU 66 2HG GLU 66 -10.653 4.788 7.213 524 HG3 GLU 66 3HG GLU 66 -9.252 5.005 8.260 525 H GLY 67 HN GLY 67 -9.884 7.930 4.387 526 HA2 GLY 67 2HA GLY 67 -8.503 10.427 4.838 527 HA3 GLY 67 3HA GLY 67 -8.062 9.633 3.334 528 H GLN 68 HN GLN 68 -9.111 12.073 3.123 529 HA GLN 68 HA GLN 68 -11.900 12.277 2.995 530 HB2 GLN 68 2HB GLN 68 -10.446 14.230 2.985 531 HB3 GLN 68 3HB GLN 68 -9.786 13.757 1.425 532 HG2 GLN 68 2HG GLN 68 -11.630 14.435 0.277 533 HG3 GLN 68 3HG GLN 68 -12.719 14.146 1.634 534 HE21 GLN 68 1HE2 GLN 68 -11.311 16.476 -0.200 535 HE22 GLN 68 2HE2 GLN 68 -11.422 17.813 0.888 536 H ASP 69 HN ASP 69 -9.804 10.469 1.020 537 HA ASP 69 HA ASP 69 -11.987 9.812 -0.748 538 HB2 ASP 69 2HB ASP 69 -10.527 10.165 -2.792 539 HB3 ASP 69 3HB ASP 69 -11.130 11.630 -2.024 540 H MET 70 HN MET 70 -11.086 8.135 -2.447 541 HA MET 70 HA MET 70 -10.194 5.911 -1.008 542 HB2 MET 70 2HB MET 70 -11.412 6.045 -3.291 543 HB3 MET 70 3HB MET 70 -9.799 6.165 -3.976 544 HG2 MET 70 2HG MET 70 -10.650 3.930 -2.162 545 HG3 MET 70 3HG MET 70 -10.813 3.868 -3.915 546 HE1 MET 70 3HE MET 70 -9.248 2.674 -1.227 547 HE2 MET 70 1HE MET 70 -7.647 2.125 -1.719 548 HE3 MET 70 2HE MET 70 -7.844 3.704 -0.959 549 H TYR 71 HN TYR 71 -8.413 7.922 -3.353 550 HA TYR 71 HA TYR 71 -5.949 6.626 -3.098 551 HB2 TYR 71 2HB TYR 71 -6.375 9.555 -3.706 552 HB3 TYR 71 3HB TYR 71 -4.978 8.577 -4.145 553 HD1 TYR 71 1HD TYR 71 -5.385 6.600 -5.739 554 HD2 TYR 71 2HD TYR 71 -8.177 9.761 -5.178 555 HE1 TYR 71 1HE TYR 71 -6.453 6.029 -7.878 556 HE2 TYR 71 2HE TYR 71 -9.252 9.199 -7.315 557 HH TYR 71 HH TYR 71 -7.845 7.019 -9.565 558 H ALA 72 HN ALA 72 -7.358 9.285 -1.254 559 HA ALA 72 HA ALA 72 -5.130 10.088 0.197 560 HB1 ALA 72 1HB ALA 72 -7.896 9.961 1.365 561 HB2 ALA 72 2HB ALA 72 -6.618 11.127 1.700 562 HB3 ALA 72 3HB ALA 72 -7.439 11.143 0.139 563 H ALA 73 HN ALA 73 -7.612 7.725 1.192 564 HA ALA 73 HA ALA 73 -6.528 6.928 3.594 565 HB1 ALA 73 1HB ALA 73 -8.721 6.211 2.856 566 HB2 ALA 73 2HB ALA 73 -7.996 5.223 1.588 567 HB3 ALA 73 3HB ALA 73 -7.737 4.810 3.282 568 H ILE 74 HN ILE 74 -5.510 6.079 0.363 569 HA ILE 74 HA ILE 74 -3.808 3.918 1.201 570 HB ILE 74 HB ILE 74 -3.913 5.416 -1.421 571 HG12 ILE 74 2HG1 ILE 74 -5.959 4.193 -0.990 572 HG13 ILE 74 3HG1 ILE 74 -5.030 3.346 -2.223 573 HG21 ILE 74 1HG2 ILE 74 -2.788 3.046 -2.033 574 HG22 ILE 74 2HG2 ILE 74 -1.863 4.505 -1.676 575 HG23 ILE 74 3HG2 ILE 74 -2.126 3.296 -0.418 576 HD11 ILE 74 3HD1 ILE 74 -5.981 1.772 -0.673 577 HD12 ILE 74 1HD1 ILE 74 -4.225 1.784 -0.510 578 HD13 ILE 74 2HD1 ILE 74 -5.228 2.608 0.685 579 H ASP 75 HN ASP 75 -3.488 7.360 0.789 580 HA ASP 75 HA ASP 75 -0.666 7.468 0.607 581 HB2 ASP 75 2HB ASP 75 -2.758 9.311 0.512 582 HB3 ASP 75 3HB ASP 75 -1.838 9.775 1.940 583 H GLY 76 HN GLY 76 -2.846 8.066 3.372 584 HA2 GLY 76 2HA GLY 76 -0.750 8.248 5.275 585 HA3 GLY 76 3HA GLY 76 -2.452 8.004 5.636 586 H LEU 77 HN LEU 77 -2.658 5.558 4.070 587 HA LEU 77 HA LEU 77 -1.829 3.717 6.092 588 HB2 LEU 77 2HB LEU 77 -3.916 3.503 4.749 589 HB3 LEU 77 3HB LEU 77 -2.933 3.140 3.344 590 HG LEU 77 HG LEU 77 -2.187 1.074 4.297 591 HD11 LEU 77 1HD1 LEU 77 -3.570 2.011 6.802 592 HD12 LEU 77 2HD1 LEU 77 -3.039 0.349 6.538 593 HD13 LEU 77 3HD1 LEU 77 -1.858 1.656 6.580 594 HD21 LEU 77 3HD2 LEU 77 -4.536 1.293 3.304 595 HD22 LEU 77 1HD2 LEU 77 -4.185 -0.143 4.265 596 HD23 LEU 77 2HD2 LEU 77 -5.110 1.183 4.967 597 H ILE 78 HN ILE 78 -0.846 4.317 2.736 598 HA ILE 78 HA ILE 78 1.110 2.267 2.653 599 HB ILE 78 HB ILE 78 0.030 3.439 0.668 600 HG12 ILE 78 2HG1 ILE 78 2.508 3.524 -0.454 601 HG13 ILE 78 3HG1 ILE 78 2.832 2.585 0.997 602 HG21 ILE 78 1HG2 ILE 78 0.446 5.572 0.184 603 HG22 ILE 78 2HG2 ILE 78 1.149 5.702 1.795 604 HG23 ILE 78 3HG2 ILE 78 2.182 5.364 0.409 605 HD11 ILE 78 3HD1 ILE 78 2.312 1.169 -0.919 606 HD12 ILE 78 1HD1 ILE 78 1.124 0.985 0.369 607 HD13 ILE 78 2HD1 ILE 78 0.735 1.943 -1.059 608 H ASP 79 HN ASP 79 1.084 5.393 4.064 609 HA ASP 79 HA ASP 79 3.943 5.774 4.010 610 HB2 ASP 79 2HB ASP 79 2.151 7.617 4.106 611 HB3 ASP 79 3HB ASP 79 2.006 7.217 5.816 612 H LYS 80 HN LYS 80 1.507 4.939 6.457 613 HA LYS 80 HA LYS 80 3.332 4.576 8.582 614 HB2 LYS 80 2HB LYS 80 0.597 3.349 8.182 615 HB3 LYS 80 3HB LYS 80 1.485 3.389 9.698 616 HG2 LYS 80 2HG LYS 80 1.287 5.753 9.846 617 HG3 LYS 80 3HG LYS 80 0.655 5.862 8.202 618 HD2 LYS 80 2HD LYS 80 -1.159 4.197 9.229 619 HD3 LYS 80 3HD LYS 80 -0.693 5.033 10.710 620 HE2 LYS 80 2HE LYS 80 -1.608 6.374 8.169 621 HE3 LYS 80 3HE LYS 80 -2.618 6.087 9.585 622 HZ1 LYS 80 3HZ LYS 80 -0.608 7.361 10.722 623 HZ2 LYS 80 1HZ LYS 80 -1.937 8.173 10.061 624 HZ3 LYS 80 2HZ LYS 80 -0.500 8.046 9.180 625 H LEU 81 HN LEU 81 2.075 2.424 6.095 626 HA LEU 81 HA LEU 81 3.011 0.005 7.190 627 HB2 LEU 81 2HB LEU 81 2.158 0.918 4.479 628 HB3 LEU 81 3HB LEU 81 2.967 -0.628 4.631 629 HG LEU 81 HG LEU 81 0.341 -0.443 4.689 630 HD11 LEU 81 1HD1 LEU 81 0.364 -2.592 5.357 631 HD12 LEU 81 2HD1 LEU 81 2.109 -2.387 5.217 632 HD13 LEU 81 3HD1 LEU 81 1.329 -2.253 6.793 633 HD21 LEU 81 3HD2 LEU 81 -0.649 -0.138 6.772 634 HD22 LEU 81 1HD2 LEU 81 0.880 -0.315 7.634 635 HD23 LEU 81 2HD2 LEU 81 0.555 1.148 6.705 636 H ALA 82 HN ALA 82 4.420 2.119 4.677 637 HA ALA 82 HA ALA 82 6.731 0.660 4.190 638 HB1 ALA 82 1HB ALA 82 7.072 3.584 4.200 639 HB2 ALA 82 2HB ALA 82 7.374 2.407 2.922 640 HB3 ALA 82 3HB ALA 82 5.732 2.974 3.229 641 H ARG 83 HN ARG 83 6.447 3.476 6.363 642 HA ARG 83 HA ARG 83 8.956 3.401 7.491 643 HB2 ARG 83 2HB ARG 83 6.321 4.186 8.736 644 HB3 ARG 83 3HB ARG 83 7.879 4.475 9.499 645 HG2 ARG 83 2HG ARG 83 8.227 5.540 6.994 646 HG3 ARG 83 3HG ARG 83 6.544 5.927 7.361 647 HD2 ARG 83 2HD ARG 83 7.230 6.951 9.465 648 HD3 ARG 83 3HD ARG 83 8.910 6.534 9.132 649 HE ARG 83 HE ARG 83 8.213 8.003 6.977 650 HH11 ARG 83 2HH1 ARG 83 7.947 8.556 10.413 651 HH12 ARG 83 1HH1 ARG 83 8.096 10.275 10.275 652 HH21 ARG 83 2HH2 ARG 83 8.408 10.264 6.793 653 HH22 ARG 83 1HH2 ARG 83 8.356 11.244 8.220 654 H GLN 84 HN GLN 84 6.181 1.388 8.213 655 HA GLN 84 HA GLN 84 7.276 0.264 10.607 656 HB2 GLN 84 2HB GLN 84 4.957 -0.443 8.829 657 HB3 GLN 84 3HB GLN 84 5.441 -1.498 10.150 658 HG2 GLN 84 2HG GLN 84 5.060 1.354 10.807 659 HG3 GLN 84 3HG GLN 84 3.615 0.430 10.403 660 HE21 GLN 84 1HE2 GLN 84 6.493 0.363 12.455 661 HE22 GLN 84 2HE2 GLN 84 5.746 -0.457 13.780 662 H LEU 85 HN LEU 85 7.035 -0.780 7.236 663 HA LEU 85 HA LEU 85 8.159 -3.333 7.562 664 HB2 LEU 85 2HB LEU 85 7.798 -1.473 5.263 665 HB3 LEU 85 3HB LEU 85 8.866 -2.846 5.057 666 HG LEU 85 HG LEU 85 6.471 -3.139 4.279 667 HD11 LEU 85 1HD1 LEU 85 7.303 -5.202 4.305 668 HD12 LEU 85 2HD1 LEU 85 8.153 -4.937 5.827 669 HD13 LEU 85 3HD1 LEU 85 6.450 -5.399 5.836 670 HD21 LEU 85 3HD2 LEU 85 5.103 -2.233 5.905 671 HD22 LEU 85 1HD2 LEU 85 4.997 -3.957 6.251 672 HD23 LEU 85 2HD2 LEU 85 6.037 -2.926 7.232 673 H THR 86 HN THR 86 9.651 -0.199 6.876 674 HA THR 86 HA THR 86 12.277 -1.172 6.500 675 HB THR 86 HB THR 86 11.880 1.549 7.629 676 HG1 THR 86 1HG THR 86 10.168 1.689 6.353 677 HG21 THR 86 3HG2 THR 86 13.428 0.410 5.326 678 HG22 THR 86 1HG2 THR 86 14.047 1.133 6.811 679 HG23 THR 86 2HG2 THR 86 13.249 2.142 5.605 680 H LYS 87 HN LYS 87 10.552 0.025 9.341 681 HA LYS 87 HA LYS 87 12.663 0.138 11.138 682 HB2 LYS 87 2HB LYS 87 9.725 -0.120 11.340 683 HB3 LYS 87 3HB LYS 87 10.639 -0.592 12.767 684 HG2 LYS 87 2HG LYS 87 11.709 1.860 11.861 685 HG3 LYS 87 3HG LYS 87 9.952 2.016 11.858 686 HD2 LYS 87 2HD LYS 87 9.817 1.930 14.105 687 HD3 LYS 87 3HD LYS 87 11.073 0.698 14.232 688 HE2 LYS 87 2HE LYS 87 12.769 2.239 14.332 689 HE3 LYS 87 3HE LYS 87 11.859 3.455 13.435 690 HZ1 LYS 87 3HZ LYS 87 12.108 4.066 15.758 691 HZ2 LYS 87 1HZ LYS 87 11.342 2.636 16.244 692 HZ3 LYS 87 2HZ LYS 87 10.478 3.808 15.385 693 H HIS 88 HN HIS 88 10.323 -2.557 10.867 694 HA HIS 88 HA HIS 88 11.831 -4.262 12.539 695 HB2 HIS 88 2HB HIS 88 10.191 -5.866 12.181 696 HB3 HIS 88 3HB HIS 88 9.320 -4.362 11.916 697 HD1 HIS 88 1HD HIS 88 7.932 -4.339 9.877 698 HD2 HIS 88 2HD HIS 88 11.100 -7.008 9.553 699 HE1 HIS 88 1HE HIS 88 7.618 -5.491 7.665 700 HE2 HIS 88 2HE HIS 88 9.614 -7.011 7.437 701 H LYS 89 HN LYS 89 11.649 -3.979 9.008 702 HA LYS 89 HA LYS 89 13.230 -6.258 8.464 703 HB2 LYS 89 2HB LYS 89 13.233 -5.580 6.225 704 HB3 LYS 89 3HB LYS 89 11.718 -4.956 6.857 705 HG2 LYS 89 2HG LYS 89 12.330 -3.040 5.899 706 HG3 LYS 89 3HG LYS 89 13.409 -2.858 7.286 707 HD2 LYS 89 2HD LYS 89 14.925 -4.410 5.671 708 HD3 LYS 89 3HD LYS 89 14.020 -3.485 4.472 709 HE2 LYS 89 2HE LYS 89 14.682 -1.425 5.845 710 HE3 LYS 89 3HE LYS 89 15.861 -2.482 6.623 711 HZ1 LYS 89 3HZ LYS 89 17.137 -1.749 4.931 712 HZ2 LYS 89 1HZ LYS 89 15.825 -1.413 3.915 713 HZ3 LYS 89 2HZ LYS 89 16.382 -3.002 4.082 714 H ASP 90 HN ASP 90 14.060 -3.171 9.666 715 HA ASP 90 HA ASP 90 16.753 -3.129 8.664 716 HB2 ASP 90 2HB ASP 90 15.059 -1.413 10.353 717 HB3 ASP 90 3HB ASP 90 16.762 -1.415 10.800 718 H LYS 91 HN LYS 91 15.136 -4.137 11.618 719 HA LYS 91 HA LYS 91 17.364 -4.518 13.256 720 HB2 LYS 91 2HB LYS 91 14.665 -5.845 13.152 721 HB3 LYS 91 3HB LYS 91 15.870 -6.313 14.344 722 HG2 LYS 91 2HG LYS 91 15.294 -4.617 15.639 723 HG3 LYS 91 3HG LYS 91 15.634 -3.472 14.342 724 HD2 LYS 91 2HD LYS 91 13.416 -3.605 13.518 725 HD3 LYS 91 3HD LYS 91 13.055 -5.013 14.517 726 HE2 LYS 91 2HE LYS 91 12.159 -3.556 15.956 727 HE3 LYS 91 3HE LYS 91 13.823 -3.146 16.373 728 HZ1 LYS 91 3HZ LYS 91 11.871 -1.639 14.837 729 HZ2 LYS 91 1HZ LYS 91 13.460 -1.589 14.256 730 HZ3 LYS 91 2HZ LYS 91 13.120 -1.091 15.835 731 H LEU 92 HN LEU 92 15.677 -6.907 11.217 732 HA LEU 92 HA LEU 92 17.781 -8.844 11.615 733 HB2 LEU 92 2HB LEU 92 15.430 -8.968 9.729 734 HB3 LEU 92 3HB LEU 92 16.444 -10.308 10.226 735 HG LEU 92 HG LEU 92 15.514 -9.359 12.633 736 HD11 LEU 92 1HD1 LEU 92 13.091 -9.424 10.885 737 HD12 LEU 92 2HD1 LEU 92 13.283 -8.771 12.512 738 HD13 LEU 92 3HD1 LEU 92 13.971 -7.916 11.133 739 HD21 LEU 92 3HD2 LEU 92 14.565 -11.427 12.829 740 HD22 LEU 92 1HD2 LEU 92 13.905 -11.403 11.194 741 HD23 LEU 92 2HD2 LEU 92 15.623 -11.715 11.448 742 H LYS 93 HN LYS 93 19.251 -7.018 10.676 743 HA LYS 93 HA LYS 93 19.302 -6.983 7.770 744 HB2 LYS 93 2HB LYS 93 20.428 -5.364 9.926 745 HB3 LYS 93 3HB LYS 93 21.581 -5.677 8.636 746 HG2 LYS 93 2HG LYS 93 19.518 -4.964 7.132 747 HG3 LYS 93 3HG LYS 93 19.075 -4.099 8.604 748 HD2 LYS 93 2HD LYS 93 21.716 -3.878 7.160 749 HD3 LYS 93 3HD LYS 93 20.404 -2.699 7.090 750 HE2 LYS 93 2HE LYS 93 21.499 -3.500 9.746 751 HE3 LYS 93 3HE LYS 93 22.419 -2.379 8.743 752 HZ1 LYS 93 3HZ LYS 93 20.788 -0.782 8.881 753 HZ2 LYS 93 1HZ LYS 93 20.697 -1.474 10.423 754 HZ3 LYS 93 2HZ LYS 93 19.559 -1.887 9.242 755 H GLN 94 HN GLN 94 21.266 -7.501 6.584 756 HA GLN 94 HA GLN 94 22.232 -10.066 7.147 757 HB2 GLN 94 2HB GLN 94 23.882 -9.621 5.343 758 HB3 GLN 94 3HB GLN 94 22.231 -9.223 4.889 759 HG2 GLN 94 2HG GLN 94 23.313 -6.879 5.973 760 HG3 GLN 94 3HG GLN 94 24.562 -7.558 4.930 761 HE21 GLN 94 1HE2 GLN 94 21.968 -5.554 5.014 762 HE22 GLN 94 2HE2 GLN 94 21.530 -5.570 3.342 763 H HIS 95 HN HIS 95 23.229 -10.371 9.076 764 HA HIS 95 HA HIS 95 25.224 -8.543 10.059 765 HB2 HIS 95 2HB HIS 95 23.565 -10.467 11.208 766 HB3 HIS 95 3HB HIS 95 25.185 -11.135 11.375 767 HD1 HIS 95 1HD HIS 95 26.694 -10.104 13.117 768 HD2 HIS 95 2HD HIS 95 23.186 -7.953 12.536 769 HE1 HIS 95 1HE HIS 95 26.641 -8.394 14.960 770 HE2 HIS 95 2HE HIS 95 24.553 -7.048 14.537 Start of MODEL 4 1 H1 MET 1 1H MET 1 5.562 -12.689 -7.205 2 H2 MET 1 2H MET 1 5.909 -12.985 -5.551 3 H3 MET 1 3H MET 1 6.853 -11.861 -6.440 4 HA MET 1 HA MET 1 5.167 -10.930 -4.892 5 HB2 MET 1 2HB MET 1 5.972 -10.249 -7.571 6 HB3 MET 1 3HB MET 1 4.343 -9.657 -7.280 7 HG2 MET 1 2HG MET 1 5.324 -7.886 -6.370 8 HG3 MET 1 3HG MET 1 5.643 -8.931 -4.987 9 HE1 MET 1 2HE MET 1 7.465 -10.130 -4.500 10 HE2 MET 1 3HE MET 1 8.641 -10.634 -5.713 11 HE3 MET 1 1HE MET 1 9.046 -9.353 -4.571 12 H GLN 2 HN GLN 2 3.560 -12.460 -4.257 13 HA GLN 2 HA GLN 2 1.270 -12.714 -6.078 14 HB2 GLN 2 2HB GLN 2 1.879 -14.237 -3.538 15 HB3 GLN 2 3HB GLN 2 0.526 -14.538 -4.619 16 HG2 GLN 2 2HG GLN 2 2.423 -14.838 -6.401 17 HG3 GLN 2 3HG GLN 2 3.414 -15.147 -4.977 18 HE21 GLN 2 1HE2 GLN 2 2.428 -16.744 -3.415 19 HE22 GLN 2 2HE2 GLN 2 1.691 -18.147 -4.105 20 H LEU 3 HN LEU 3 0.552 -10.551 -5.687 21 HA LEU 3 HA LEU 3 -0.783 -10.243 -3.076 22 HB2 LEU 3 2HB LEU 3 -0.427 -7.880 -3.154 23 HB3 LEU 3 3HB LEU 3 1.118 -8.677 -3.385 24 HG LEU 3 HG LEU 3 -0.429 -7.832 -5.795 25 HD11 LEU 3 1HD1 LEU 3 -0.553 -5.751 -4.925 26 HD12 LEU 3 2HD1 LEU 3 0.743 -6.038 -3.765 27 HD13 LEU 3 3HD1 LEU 3 1.131 -5.685 -5.448 28 HD21 LEU 3 3HD2 LEU 3 1.475 -8.943 -6.435 29 HD22 LEU 3 1HD2 LEU 3 2.064 -7.281 -6.387 30 HD23 LEU 3 2HD2 LEU 3 2.405 -8.376 -5.047 31 H ASN 4 HN ASN 4 -2.848 -9.320 -3.066 32 HA ASN 4 HA ASN 4 -4.104 -8.821 -5.663 33 HB2 ASN 4 2HB ASN 4 -4.457 -11.220 -4.263 34 HB3 ASN 4 3HB ASN 4 -5.911 -10.284 -3.933 35 HD21 ASN 4 1HD2 ASN 4 -7.338 -9.855 -5.567 36 HD22 ASN 4 2HD2 ASN 4 -7.233 -10.586 -7.129 37 H ILE 5 HN ILE 5 -6.164 -7.701 -5.499 38 HA ILE 5 HA ILE 5 -6.481 -6.236 -2.962 39 HB ILE 5 HB ILE 5 -7.451 -4.520 -4.929 40 HG12 ILE 5 2HG1 ILE 5 -4.680 -5.377 -5.763 41 HG13 ILE 5 3HG1 ILE 5 -6.129 -6.004 -6.543 42 HG21 ILE 5 1HG2 ILE 5 -6.460 -3.408 -3.240 43 HG22 ILE 5 2HG2 ILE 5 -5.184 -4.611 -3.049 44 HG23 ILE 5 3HG2 ILE 5 -5.080 -3.411 -4.339 45 HD11 ILE 5 3HD1 ILE 5 -6.077 -3.096 -6.353 46 HD12 ILE 5 1HD1 ILE 5 -4.753 -3.777 -7.301 47 HD13 ILE 5 2HD1 ILE 5 -6.425 -4.144 -7.729 48 H THR 6 HN THR 6 -8.620 -5.480 -2.490 49 HA THR 6 HA THR 6 -10.765 -6.678 -4.087 50 HB THR 6 HB THR 6 -10.864 -6.754 -1.083 51 HG1 THR 6 1HG THR 6 -9.921 -8.859 -2.728 52 HG21 THR 6 3HG2 THR 6 -12.559 -7.667 -3.223 53 HG22 THR 6 1HG2 THR 6 -12.877 -7.571 -1.492 54 HG23 THR 6 2HG2 THR 6 -12.087 -8.996 -2.165 55 H GLY 7 HN GLY 7 -12.917 -5.727 -3.537 56 HA2 GLY 7 2HA GLY 7 -12.739 -3.083 -2.282 57 HA3 GLY 7 3HA GLY 7 -13.276 -3.170 -3.951 58 H ASN 8 HN ASN 8 -14.387 -2.731 -0.982 59 HA ASN 8 HA ASN 8 -16.790 -4.381 -1.252 60 HB2 ASN 8 2HB ASN 8 -17.289 -3.179 1.042 61 HB3 ASN 8 3HB ASN 8 -16.163 -4.528 0.970 62 HD21 ASN 8 1HD2 ASN 8 -15.524 -3.481 3.037 63 HD22 ASN 8 2HD2 ASN 8 -14.308 -2.255 2.966 64 H ASN 9 HN ASN 9 -18.438 -3.571 -2.337 65 HA ASN 9 HA ASN 9 -20.150 -2.119 -2.862 66 HB2 ASN 9 2HB ASN 9 -19.507 -0.913 -0.651 67 HB3 ASN 9 3HB ASN 9 -18.646 0.212 -1.699 68 HD21 ASN 9 1HD2 ASN 9 -21.751 -1.025 -0.752 69 HD22 ASN 9 2HD2 ASN 9 -22.697 0.226 -1.478 70 H VAL 10 HN VAL 10 -16.843 -0.900 -3.167 71 HA VAL 10 HA VAL 10 -17.472 0.316 -5.738 72 HB VAL 10 HB VAL 10 -16.135 1.595 -4.125 73 HG11 VAL 10 1HG1 VAL 10 -15.005 -0.140 -2.953 74 HG12 VAL 10 2HG1 VAL 10 -14.198 -0.685 -4.423 75 HG13 VAL 10 3HG1 VAL 10 -13.780 0.875 -3.715 76 HG21 VAL 10 3HG2 VAL 10 -14.350 0.854 -6.425 77 HG22 VAL 10 1HG2 VAL 10 -15.828 1.789 -6.641 78 HG23 VAL 10 2HG2 VAL 10 -14.527 2.419 -5.632 79 H GLU 11 HN GLU 11 -15.793 -0.005 -7.511 80 HA GLU 11 HA GLU 11 -15.118 -2.865 -7.677 81 HB2 GLU 11 2HB GLU 11 -15.210 -2.533 -10.150 82 HB3 GLU 11 3HB GLU 11 -16.750 -2.284 -9.338 83 HG2 GLU 11 2HG GLU 11 -15.126 0.135 -9.665 84 HG3 GLU 11 3HG GLU 11 -15.675 -0.605 -11.168 85 H ILE 12 HN ILE 12 -13.125 -3.488 -8.560 86 HA ILE 12 HA ILE 12 -10.986 -1.615 -8.074 87 HB ILE 12 HB ILE 12 -10.765 -4.414 -9.180 88 HG12 ILE 12 2HG1 ILE 12 -12.005 -4.379 -7.035 89 HG13 ILE 12 3HG1 ILE 12 -10.442 -5.173 -6.892 90 HG21 ILE 12 1HG2 ILE 12 -8.854 -2.360 -8.286 91 HG22 ILE 12 2HG2 ILE 12 -8.540 -4.001 -7.719 92 HG23 ILE 12 3HG2 ILE 12 -8.654 -3.673 -9.447 93 HD11 ILE 12 3HD1 ILE 12 -10.848 -2.294 -6.157 94 HD12 ILE 12 1HD1 ILE 12 -11.112 -3.615 -5.019 95 HD13 ILE 12 2HD1 ILE 12 -9.514 -3.363 -5.720 96 H THR 13 HN THR 13 -10.762 -0.079 -9.604 97 HA THR 13 HA THR 13 -10.927 -0.816 -12.425 98 HB THR 13 HB THR 13 -10.928 1.570 -12.876 99 HG1 THR 13 1HG THR 13 -10.372 3.021 -11.427 100 HG21 THR 13 3HG2 THR 13 -12.771 0.643 -10.721 101 HG22 THR 13 1HG2 THR 13 -13.109 0.982 -12.418 102 HG23 THR 13 2HG2 THR 13 -12.826 2.310 -11.294 103 H GLU 14 HN GLU 14 -9.247 -0.650 -13.859 104 HA GLU 14 HA GLU 14 -6.746 -1.373 -13.282 105 HB2 GLU 14 2HB GLU 14 -7.491 0.644 -15.403 106 HB3 GLU 14 3HB GLU 14 -5.990 -0.271 -15.362 107 HG2 GLU 14 2HG GLU 14 -7.844 -2.254 -15.201 108 HG3 GLU 14 3HG GLU 14 -8.666 -1.075 -16.221 109 H ALA 15 HN ALA 15 -7.867 1.995 -13.156 110 HA ALA 15 HA ALA 15 -5.336 3.136 -12.639 111 HB1 ALA 15 1HB ALA 15 -8.019 4.227 -11.803 112 HB2 ALA 15 2HB ALA 15 -6.527 5.131 -12.058 113 HB3 ALA 15 3HB ALA 15 -7.348 4.381 -13.426 114 H LEU 16 HN LEU 16 -7.987 2.163 -10.478 115 HA LEU 16 HA LEU 16 -6.819 2.939 -8.065 116 HB2 LEU 16 2HB LEU 16 -9.155 2.308 -8.223 117 HB3 LEU 16 3HB LEU 16 -8.715 0.664 -8.649 118 HG LEU 16 HG LEU 16 -7.561 0.576 -6.351 119 HD11 LEU 16 1HD1 LEU 16 -9.113 2.185 -4.844 120 HD12 LEU 16 2HD1 LEU 16 -7.485 2.602 -5.378 121 HD13 LEU 16 3HD1 LEU 16 -8.883 3.202 -6.267 122 HD21 LEU 16 3HD2 LEU 16 -10.397 0.369 -7.076 123 HD22 LEU 16 1HD2 LEU 16 -9.339 -0.792 -6.274 124 HD23 LEU 16 2HD2 LEU 16 -10.086 0.507 -5.345 125 H ARG 17 HN ARG 17 -6.935 -0.348 -9.441 126 HA ARG 17 HA ARG 17 -5.238 -1.586 -7.641 127 HB2 ARG 17 2HB ARG 17 -4.804 -3.254 -9.416 128 HB3 ARG 17 3HB ARG 17 -6.510 -2.864 -9.258 129 HG2 ARG 17 2HG ARG 17 -6.505 -1.589 -11.242 130 HG3 ARG 17 3HG ARG 17 -4.743 -1.571 -11.313 131 HD2 ARG 17 2HD ARG 17 -5.260 -4.243 -11.299 132 HD3 ARG 17 3HD ARG 17 -6.648 -3.622 -12.190 133 HE ARG 17 HE ARG 17 -4.594 -2.383 -13.398 134 HH11 ARG 17 2HH1 ARG 17 -5.145 -5.732 -12.582 135 HH12 ARG 17 1HH1 ARG 17 -4.214 -6.338 -13.911 136 HH21 ARG 17 2HH2 ARG 17 -3.370 -3.179 -15.144 137 HH22 ARG 17 1HH2 ARG 17 -3.206 -4.889 -15.366 138 H GLU 18 HN GLU 18 -4.432 0.211 -10.573 139 HA GLU 18 HA GLU 18 -1.672 -0.328 -10.582 140 HB2 GLU 18 2HB GLU 18 -3.453 1.694 -11.837 141 HB3 GLU 18 3HB GLU 18 -1.734 2.060 -11.788 142 HG2 GLU 18 2HG GLU 18 -2.819 -0.517 -12.883 143 HG3 GLU 18 3HG GLU 18 -2.582 0.925 -13.869 144 H PHE 19 HN PHE 19 -3.456 2.505 -9.340 145 HA PHE 19 HA PHE 19 -1.325 3.951 -8.352 146 HB2 PHE 19 2HB PHE 19 -3.698 4.721 -8.461 147 HB3 PHE 19 3HB PHE 19 -4.043 3.727 -7.050 148 HD1 PHE 19 1HD PHE 19 -3.116 4.311 -4.862 149 HD2 PHE 19 2HD PHE 19 -2.532 6.796 -8.267 150 HE1 PHE 19 1HE PHE 19 -2.443 6.165 -3.389 151 HE2 PHE 19 2HE PHE 19 -1.858 8.653 -6.801 152 HZ PHE 19 HZ PHE 19 -1.813 8.339 -4.358 153 H VAL 20 HN VAL 20 -3.244 1.488 -6.637 154 HA VAL 20 HA VAL 20 -1.900 1.636 -4.189 155 HB VAL 20 HB VAL 20 -3.104 -0.870 -5.366 156 HG11 VAL 20 1HG1 VAL 20 -3.019 -1.777 -3.303 157 HG12 VAL 20 2HG1 VAL 20 -1.711 -0.617 -3.072 158 HG13 VAL 20 3HG1 VAL 20 -3.337 -0.240 -2.499 159 HG21 VAL 20 3HG2 VAL 20 -4.353 1.632 -4.490 160 HG22 VAL 20 1HG2 VAL 20 -4.990 0.338 -5.505 161 HG23 VAL 20 2HG2 VAL 20 -5.028 0.180 -3.750 162 H THR 21 HN THR 21 -1.283 -0.392 -7.033 163 HA THR 21 HA THR 21 0.927 -1.766 -5.875 164 HB THR 21 HB THR 21 0.513 -1.421 -8.834 165 HG1 THR 21 1HG THR 21 -0.945 -3.122 -7.096 166 HG21 THR 21 3HG2 THR 21 1.633 -3.358 -9.111 167 HG22 THR 21 1HG2 THR 21 1.067 -4.037 -7.584 168 HG23 THR 21 2HG2 THR 21 2.378 -2.855 -7.593 169 H ALA 22 HN ALA 22 0.536 1.201 -7.666 170 HA ALA 22 HA ALA 22 3.143 1.635 -8.544 171 HB1 ALA 22 1HB ALA 22 1.793 3.224 -9.422 172 HB2 ALA 22 2HB ALA 22 0.800 3.341 -7.970 173 HB3 ALA 22 3HB ALA 22 2.366 4.150 -8.035 174 H LYS 23 HN LYS 23 1.632 2.441 -5.437 175 HA LYS 23 HA LYS 23 3.973 3.660 -4.354 176 HB2 LYS 23 2HB LYS 23 1.604 2.515 -2.866 177 HB3 LYS 23 3HB LYS 23 2.769 3.678 -2.249 178 HG2 LYS 23 2HG LYS 23 1.631 4.708 -4.651 179 HG3 LYS 23 3HG LYS 23 0.333 4.172 -3.582 180 HD2 LYS 23 2HD LYS 23 0.720 5.809 -2.091 181 HD3 LYS 23 3HD LYS 23 2.472 5.661 -2.237 182 HE2 LYS 23 2HE LYS 23 1.457 6.706 -4.680 183 HE3 LYS 23 3HE LYS 23 0.757 7.632 -3.353 184 HZ1 LYS 23 3HZ LYS 23 2.906 8.506 -4.189 185 HZ2 LYS 23 1HZ LYS 23 3.663 7.095 -3.637 186 HZ3 LYS 23 2HZ LYS 23 2.921 8.144 -2.537 187 H PHE 24 HN PHE 24 2.422 0.492 -3.924 188 HA PHE 24 HA PHE 24 4.157 -0.607 -2.067 189 HB2 PHE 24 2HB PHE 24 2.235 -1.625 -4.030 190 HB3 PHE 24 3HB PHE 24 3.546 -2.751 -3.697 191 HD1 PHE 24 2HD PHE 24 3.900 -3.595 -1.411 192 HD2 PHE 24 1HD PHE 24 0.560 -1.157 -2.411 193 HE1 PHE 24 2HE PHE 24 2.774 -4.296 0.662 194 HE2 PHE 24 1HE PHE 24 -0.573 -1.852 -0.340 195 HZ PHE 24 HZ PHE 24 0.534 -3.424 1.198 196 H ALA 25 HN ALA 25 4.419 -0.595 -5.612 197 HA ALA 25 HA ALA 25 6.711 -2.124 -5.901 198 HB1 ALA 25 1HB ALA 25 5.507 -1.522 -7.847 199 HB2 ALA 25 2HB ALA 25 5.685 0.201 -7.513 200 HB3 ALA 25 3HB ALA 25 7.088 -0.754 -7.992 201 H LYS 26 HN LYS 26 6.426 1.372 -5.346 202 HA LYS 26 HA LYS 26 9.161 1.979 -5.425 203 HB2 LYS 26 2HB LYS 26 7.083 3.544 -5.340 204 HB3 LYS 26 3HB LYS 26 7.257 3.409 -3.594 205 HG2 LYS 26 2HG LYS 26 9.697 4.098 -5.103 206 HG3 LYS 26 3HG LYS 26 8.427 5.322 -5.049 207 HD2 LYS 26 2HD LYS 26 9.218 3.960 -2.518 208 HD3 LYS 26 3HD LYS 26 10.281 5.203 -3.183 209 HE2 LYS 26 2HE LYS 26 7.413 5.881 -3.072 210 HE3 LYS 26 3HE LYS 26 8.225 5.714 -1.516 211 HZ1 LYS 26 3HZ LYS 26 8.564 7.731 -3.576 212 HZ2 LYS 26 1HZ LYS 26 9.987 7.206 -2.827 213 HZ3 LYS 26 2HZ LYS 26 8.733 7.858 -1.898 214 H LEU 27 HN LEU 27 7.174 0.540 -2.968 215 HA LEU 27 HA LEU 27 9.147 0.877 -0.876 216 HB2 LEU 27 2HB LEU 27 6.449 -0.409 -1.064 217 HB3 LEU 27 3HB LEU 27 7.499 -0.783 0.289 218 HG LEU 27 HG LEU 27 7.611 1.718 0.726 219 HD11 LEU 27 1HD1 LEU 27 6.754 2.321 -1.554 220 HD12 LEU 27 2HD1 LEU 27 5.162 1.778 -1.020 221 HD13 LEU 27 3HD1 LEU 27 5.950 3.132 -0.209 222 HD21 LEU 27 3HD2 LEU 27 5.956 1.485 2.240 223 HD22 LEU 27 1HD2 LEU 27 4.784 0.951 1.036 224 HD23 LEU 27 2HD2 LEU 27 5.966 -0.188 1.680 225 H GLU 28 HN GLU 28 8.282 -1.443 -3.274 226 HA GLU 28 HA GLU 28 9.398 -3.763 -2.125 227 HB2 GLU 28 2HB GLU 28 7.807 -3.619 -4.097 228 HB3 GLU 28 3HB GLU 28 9.200 -3.184 -5.077 229 HG2 GLU 28 2HG GLU 28 8.858 -5.496 -5.372 230 HG3 GLU 28 3HG GLU 28 10.269 -5.326 -4.329 231 H GLN 29 HN GLN 29 10.906 -0.964 -3.315 232 HA GLN 29 HA GLN 29 13.240 -2.086 -4.452 233 HB2 GLN 29 2HB GLN 29 12.432 0.292 -4.709 234 HB3 GLN 29 3HB GLN 29 13.017 0.593 -3.078 235 HG2 GLN 29 2HG GLN 29 15.281 -0.101 -3.827 236 HG3 GLN 29 3HG GLN 29 14.653 -0.216 -5.470 237 HE21 GLN 29 1HE2 GLN 29 14.517 2.098 -2.777 238 HE22 GLN 29 2HE2 GLN 29 14.885 3.490 -3.731 239 H TYR 30 HN TYR 30 12.561 -0.809 -1.197 240 HA TYR 30 HA TYR 30 15.070 -2.012 -0.268 241 HB2 TYR 30 2HB TYR 30 14.449 -0.668 1.872 242 HB3 TYR 30 3HB TYR 30 15.079 0.184 0.469 243 HD1 TYR 30 1HD TYR 30 11.629 -1.072 1.138 244 HD2 TYR 30 2HD TYR 30 14.147 2.308 0.571 245 HE1 TYR 30 1HE TYR 30 9.657 0.392 1.158 246 HE2 TYR 30 2HE TYR 30 12.179 3.782 0.587 247 HH TYR 30 HH TYR 30 9.270 2.974 0.022 248 H PHE 31 HN PHE 31 11.984 -2.996 -0.570 249 HA PHE 31 HA PHE 31 12.030 -4.488 1.972 250 HB2 PHE 31 2HB PHE 31 9.685 -3.685 0.242 251 HB3 PHE 31 3HB PHE 31 9.563 -4.797 1.599 252 HD1 PHE 31 1HD PHE 31 11.804 -2.961 3.081 253 HD2 PHE 31 2HD PHE 31 7.945 -2.348 1.393 254 HE1 PHE 31 1HE PHE 31 11.447 -1.059 4.595 255 HE2 PHE 31 2HE PHE 31 7.584 -0.443 2.904 256 HZ PHE 31 HZ PHE 31 9.335 0.204 4.509 257 H ASP 32 HN ASP 32 12.571 -6.542 1.783 258 HA ASP 32 HA ASP 32 12.096 -7.903 -0.783 259 HB2 ASP 32 2HB ASP 32 13.854 -9.514 0.023 260 HB3 ASP 32 3HB ASP 32 14.434 -7.875 -0.263 261 H ARG 33 HN ARG 33 11.520 -8.012 2.650 262 HA ARG 33 HA ARG 33 10.508 -10.692 2.689 263 HB2 ARG 33 2HB ARG 33 9.914 -8.570 4.741 264 HB3 ARG 33 3HB ARG 33 9.996 -10.311 4.968 265 HG2 ARG 33 2HG ARG 33 12.425 -10.218 4.524 266 HG3 ARG 33 3HG ARG 33 12.307 -8.460 4.421 267 HD2 ARG 33 2HD ARG 33 12.504 -8.318 6.628 268 HD3 ARG 33 3HD ARG 33 11.039 -9.277 6.824 269 HE ARG 33 HE ARG 33 12.364 -10.983 7.525 270 HH11 ARG 33 2HH1 ARG 33 14.275 -8.925 5.454 271 HH12 ARG 33 1HH1 ARG 33 15.726 -9.846 5.666 272 HH21 ARG 33 2HH2 ARG 33 14.270 -12.196 7.806 273 HH22 ARG 33 1HH2 ARG 33 15.724 -11.704 7.002 274 H ILE 34 HN ILE 34 9.070 -10.331 0.795 275 HA ILE 34 HA ILE 34 6.396 -9.636 1.743 276 HB ILE 34 HB ILE 34 7.414 -8.601 -0.902 277 HG12 ILE 34 2HG1 ILE 34 6.957 -7.057 1.661 278 HG13 ILE 34 3HG1 ILE 34 8.537 -7.481 1.011 279 HG21 ILE 34 1HG2 ILE 34 4.851 -8.250 0.632 280 HG22 ILE 34 2HG2 ILE 34 5.321 -7.199 -0.705 281 HG23 ILE 34 3HG2 ILE 34 5.074 -8.924 -0.984 282 HD11 ILE 34 3HD1 ILE 34 6.977 -6.148 -0.989 283 HD12 ILE 34 1HD1 ILE 34 7.033 -5.189 0.489 284 HD13 ILE 34 2HD1 ILE 34 8.531 -5.694 -0.291 285 H ASN 35 HN ASN 35 5.184 -11.373 1.383 286 HA ASN 35 HA ASN 35 5.701 -12.958 -1.046 287 HB2 ASN 35 2HB ASN 35 4.507 -14.807 0.378 288 HB3 ASN 35 3HB ASN 35 6.214 -14.464 0.633 289 HD21 ASN 35 1HD2 ASN 35 6.659 -12.801 2.344 290 HD22 ASN 35 2HD2 ASN 35 5.707 -12.888 3.784 291 H GLN 36 HN GLN 36 3.048 -12.476 1.309 292 HA GLN 36 HA GLN 36 1.231 -12.153 -0.986 293 HB2 GLN 36 2HB GLN 36 1.116 -14.370 0.377 294 HB3 GLN 36 3HB GLN 36 0.310 -13.383 1.588 295 HG2 GLN 36 2HG GLN 36 -1.573 -13.846 0.511 296 HG3 GLN 36 3HG GLN 36 -1.013 -12.724 -0.729 297 HE21 GLN 36 1HE2 GLN 36 -0.685 -16.114 0.256 298 HE22 GLN 36 2HE2 GLN 36 -0.678 -16.759 -1.346 299 H VAL 37 HN VAL 37 0.409 -10.180 -1.021 300 HA VAL 37 HA VAL 37 -0.226 -8.871 1.542 301 HB VAL 37 HB VAL 37 0.649 -7.426 -0.959 302 HG11 VAL 37 1HG1 VAL 37 1.123 -5.720 1.044 303 HG12 VAL 37 2HG1 VAL 37 -0.425 -5.804 0.202 304 HG13 VAL 37 3HG1 VAL 37 -0.218 -6.621 1.751 305 HG21 VAL 37 3HG2 VAL 37 2.502 -7.316 1.272 306 HG22 VAL 37 1HG2 VAL 37 2.290 -8.957 0.664 307 HG23 VAL 37 2HG2 VAL 37 2.801 -7.673 -0.428 308 H TYR 38 HN TYR 38 -2.249 -8.083 1.741 309 HA TYR 38 HA TYR 38 -3.888 -7.859 -0.689 310 HB2 TYR 38 2HB TYR 38 -5.810 -8.605 0.955 311 HB3 TYR 38 3HB TYR 38 -4.816 -9.799 0.131 312 HD1 TYR 38 1HD TYR 38 -2.695 -10.602 1.459 313 HD2 TYR 38 2HD TYR 38 -6.090 -8.759 3.246 314 HE1 TYR 38 1HE TYR 38 -2.084 -11.590 3.624 315 HE2 TYR 38 2HE TYR 38 -5.486 -9.743 5.418 316 HH TYR 38 HH TYR 38 -2.568 -10.918 6.158 317 H VAL 39 HN VAL 39 -5.191 -6.120 -0.825 318 HA VAL 39 HA VAL 39 -5.405 -4.367 1.532 319 HB VAL 39 HB VAL 39 -4.931 -3.367 -1.278 320 HG11 VAL 39 1HG1 VAL 39 -4.700 -1.853 1.309 321 HG12 VAL 39 2HG1 VAL 39 -4.746 -1.213 -0.333 322 HG13 VAL 39 3HG1 VAL 39 -6.194 -1.926 0.377 323 HG21 VAL 39 3HG2 VAL 39 -2.676 -3.021 -0.791 324 HG22 VAL 39 1HG2 VAL 39 -2.920 -3.245 0.942 325 HG23 VAL 39 2HG2 VAL 39 -3.000 -4.630 -0.146 326 H VAL 40 HN VAL 40 -7.300 -3.195 1.732 327 HA VAL 40 HA VAL 40 -9.339 -3.476 -0.345 328 HB VAL 40 HB VAL 40 -9.937 -4.130 2.544 329 HG11 VAL 40 1HG1 VAL 40 -12.053 -5.006 1.562 330 HG12 VAL 40 2HG1 VAL 40 -11.850 -3.263 1.388 331 HG13 VAL 40 3HG1 VAL 40 -11.561 -4.327 0.011 332 HG21 VAL 40 3HG2 VAL 40 -8.775 -6.020 2.018 333 HG22 VAL 40 1HG2 VAL 40 -10.347 -6.469 1.352 334 HG23 VAL 40 2HG2 VAL 40 -9.078 -5.860 0.289 335 H LEU 41 HN LEU 41 -10.648 -1.777 -0.534 336 HA LEU 41 HA LEU 41 -10.530 0.300 1.532 337 HB2 LEU 41 2HB LEU 41 -10.676 1.883 -0.566 338 HB3 LEU 41 3HB LEU 41 -9.139 1.316 0.054 339 HG LEU 41 HG LEU 41 -9.270 1.225 -2.403 340 HD11 LEU 41 1HD1 LEU 41 -7.913 -0.530 -2.446 341 HD12 LEU 41 2HD1 LEU 41 -8.225 -0.642 -0.713 342 HD13 LEU 41 3HD1 LEU 41 -9.158 -1.622 -1.843 343 HD21 LEU 41 3HD2 LEU 41 -11.765 0.651 -2.356 344 HD22 LEU 41 1HD2 LEU 41 -10.761 -0.115 -3.585 345 HD23 LEU 41 2HD2 LEU 41 -11.235 -1.017 -2.148 346 H LYS 42 HN LYS 42 -12.415 1.122 2.119 347 HA LYS 42 HA LYS 42 -14.800 0.358 0.591 348 HB2 LYS 42 2HB LYS 42 -14.901 -0.372 2.869 349 HB3 LYS 42 3HB LYS 42 -14.422 1.214 3.461 350 HG2 LYS 42 2HG LYS 42 -16.543 2.146 2.665 351 HG3 LYS 42 3HG LYS 42 -17.020 0.547 2.089 352 HD2 LYS 42 2HD LYS 42 -18.028 1.048 4.261 353 HD3 LYS 42 3HD LYS 42 -16.914 -0.317 4.371 354 HE2 LYS 42 2HE LYS 42 -15.199 1.116 5.300 355 HE3 LYS 42 3HE LYS 42 -16.235 2.530 5.101 356 HZ1 LYS 42 3HZ LYS 42 -17.845 1.223 6.594 357 HZ2 LYS 42 1HZ LYS 42 -16.508 1.974 7.312 358 HZ3 LYS 42 2HZ LYS 42 -16.488 0.309 7.021 359 H VAL 43 HN VAL 43 -16.091 1.832 -0.340 360 HA VAL 43 HA VAL 43 -15.380 4.670 0.025 361 HB VAL 43 HB VAL 43 -16.660 3.456 -2.424 362 HG11 VAL 43 1HG1 VAL 43 -15.485 5.730 -3.249 363 HG12 VAL 43 2HG1 VAL 43 -17.156 5.642 -2.691 364 HG13 VAL 43 3HG1 VAL 43 -15.885 6.176 -1.590 365 HG21 VAL 43 3HG2 VAL 43 -13.790 4.318 -2.207 366 HG22 VAL 43 1HG2 VAL 43 -14.296 2.657 -1.897 367 HG23 VAL 43 2HG2 VAL 43 -14.563 3.378 -3.483 368 H GLU 44 HN GLU 44 -16.856 5.773 1.116 369 HA GLU 44 HA GLU 44 -19.689 5.264 0.578 370 HB2 GLU 44 2HB GLU 44 -20.092 5.671 3.069 371 HB3 GLU 44 3HB GLU 44 -19.438 4.104 2.610 372 HG2 GLU 44 2HG GLU 44 -17.232 4.767 3.290 373 HG3 GLU 44 3HG GLU 44 -17.788 6.410 3.609 374 H LYS 45 HN LYS 45 -21.066 7.057 0.969 375 HA LYS 45 HA LYS 45 -20.125 9.503 0.110 376 HB2 LYS 45 2HB LYS 45 -22.546 8.594 0.339 377 HB3 LYS 45 3HB LYS 45 -22.499 9.333 1.933 378 HG2 LYS 45 2HG LYS 45 -21.628 11.060 -0.281 379 HG3 LYS 45 3HG LYS 45 -23.329 10.591 -0.298 380 HD2 LYS 45 2HD LYS 45 -23.656 11.473 1.910 381 HD3 LYS 45 3HD LYS 45 -21.928 11.777 2.094 382 HE2 LYS 45 2HE LYS 45 -22.451 13.161 -0.173 383 HE3 LYS 45 3HE LYS 45 -23.987 13.329 0.676 384 HZ1 LYS 45 3HZ LYS 45 -22.285 13.868 2.641 385 HZ2 LYS 45 1HZ LYS 45 -22.923 15.056 1.617 386 HZ3 LYS 45 2HZ LYS 45 -21.379 14.429 1.326 387 H VAL 46 HN VAL 46 -19.889 8.161 3.280 388 HA VAL 46 HA VAL 46 -19.556 10.733 4.564 389 HB VAL 46 HB VAL 46 -19.207 7.952 5.684 390 HG11 VAL 46 1HG1 VAL 46 -19.263 10.648 7.030 391 HG12 VAL 46 2HG1 VAL 46 -19.400 9.110 7.883 392 HG13 VAL 46 3HG1 VAL 46 -17.927 9.497 6.995 393 HG21 VAL 46 3HG2 VAL 46 -21.527 9.819 5.499 394 HG22 VAL 46 1HG2 VAL 46 -21.464 8.078 5.234 395 HG23 VAL 46 2HG2 VAL 46 -21.394 8.722 6.874 396 H THR 47 HN THR 47 -17.432 7.958 5.140 397 HA THR 47 HA THR 47 -15.146 9.610 4.298 398 HB THR 47 HB THR 47 -15.113 7.810 6.717 399 HG1 THR 47 1HG THR 47 -15.655 10.578 6.523 400 HG21 THR 47 3HG2 THR 47 -12.913 8.291 5.838 401 HG22 THR 47 1HG2 THR 47 -13.165 9.137 7.365 402 HG23 THR 47 2HG2 THR 47 -13.269 10.018 5.841 403 H HIS 48 HN HIS 48 -13.241 8.452 3.680 404 HA HIS 48 HA HIS 48 -13.866 5.811 2.573 405 HB2 HIS 48 2HB HIS 48 -11.582 7.698 1.946 406 HB3 HIS 48 3HB HIS 48 -11.900 6.170 1.130 407 HD1 HIS 48 1HD HIS 48 -12.548 6.919 -1.159 408 HD2 HIS 48 2HD HIS 48 -14.565 9.009 1.813 409 HE1 HIS 48 1HE HIS 48 -14.246 8.330 -2.364 410 HE2 HIS 48 2HE HIS 48 -15.400 9.646 -0.551 411 H THR 49 HN THR 49 -12.813 3.992 3.188 412 HA THR 49 HA THR 49 -10.555 4.285 5.057 413 HB THR 49 HB THR 49 -12.836 2.316 5.318 414 HG1 THR 49 1HG THR 49 -12.148 4.571 6.894 415 HG21 THR 49 3HG2 THR 49 -10.763 2.839 7.405 416 HG22 THR 49 1HG2 THR 49 -10.507 1.625 6.151 417 HG23 THR 49 2HG2 THR 49 -11.879 1.482 7.249 418 H SER 50 HN SER 50 -8.930 2.789 4.910 419 HA SER 50 HA SER 50 -9.223 0.593 3.003 420 HB2 SER 50 2HB SER 50 -6.877 2.492 2.865 421 HB3 SER 50 3HB SER 50 -7.231 1.150 1.777 422 HG SER 50 HG SER 50 -7.944 2.976 0.769 423 H ASP 51 HN ASP 51 -7.863 -1.158 3.341 424 HA ASP 51 HA ASP 51 -6.159 -1.037 5.739 425 HB2 ASP 51 2HB ASP 51 -6.952 -3.191 6.461 426 HB3 ASP 51 3HB ASP 51 -8.355 -2.166 6.184 427 H ALA 52 HN ALA 52 -4.255 -2.228 5.670 428 HA ALA 52 HA ALA 52 -3.729 -3.782 3.241 429 HB1 ALA 52 1HB ALA 52 -1.483 -2.688 3.061 430 HB2 ALA 52 2HB ALA 52 -2.851 -1.646 2.672 431 HB3 ALA 52 3HB ALA 52 -2.042 -1.496 4.232 432 H THR 53 HN THR 53 -3.277 -5.730 3.972 433 HA THR 53 HA THR 53 -1.680 -6.032 6.419 434 HB THR 53 HB THR 53 -3.115 -8.249 4.973 435 HG1 THR 53 1HG THR 53 -4.735 -6.836 5.408 436 HG21 THR 53 3HG2 THR 53 -2.307 -7.881 7.846 437 HG22 THR 53 1HG2 THR 53 -1.617 -9.016 6.685 438 HG23 THR 53 2HG2 THR 53 -3.284 -9.215 7.231 439 H LEU 54 HN LEU 54 0.441 -6.187 6.047 440 HA LEU 54 HA LEU 54 1.373 -7.433 3.571 441 HB2 LEU 54 2HB LEU 54 2.572 -5.575 5.574 442 HB3 LEU 54 3HB LEU 54 3.640 -6.577 4.610 443 HG LEU 54 HG LEU 54 2.584 -5.619 2.555 444 HD11 LEU 54 1HD1 LEU 54 0.998 -4.219 4.623 445 HD12 LEU 54 2HD1 LEU 54 1.494 -3.278 3.215 446 HD13 LEU 54 3HD1 LEU 54 0.542 -4.749 3.004 447 HD21 LEU 54 3HD2 LEU 54 3.567 -3.242 3.046 448 HD22 LEU 54 1HD2 LEU 54 4.113 -4.004 4.539 449 HD23 LEU 54 2HD2 LEU 54 4.622 -4.653 2.981 450 H HIS 55 HN HIS 55 2.804 -9.146 3.521 451 HA HIS 55 HA HIS 55 2.949 -10.712 6.009 452 HB2 HIS 55 2HB HIS 55 2.707 -11.467 3.125 453 HB3 HIS 55 3HB HIS 55 3.512 -12.579 4.228 454 HD1 HIS 55 1HD HIS 55 1.964 -14.288 5.090 455 HD2 HIS 55 2HD HIS 55 0.027 -10.679 4.397 456 HE1 HIS 55 1HE HIS 55 -0.441 -14.687 5.707 457 HE2 HIS 55 2HE HIS 55 -1.575 -12.464 5.369 458 H VAL 56 HN VAL 56 4.881 -11.425 6.778 459 HA VAL 56 HA VAL 56 7.283 -10.663 5.250 460 HB VAL 56 HB VAL 56 8.451 -10.327 7.396 461 HG11 VAL 56 1HG1 VAL 56 7.575 -8.168 7.850 462 HG12 VAL 56 2HG1 VAL 56 7.310 -8.476 6.133 463 HG13 VAL 56 3HG1 VAL 56 5.972 -8.625 7.274 464 HG21 VAL 56 3HG2 VAL 56 7.109 -11.763 8.816 465 HG22 VAL 56 1HG2 VAL 56 7.143 -10.126 9.466 466 HG23 VAL 56 2HG2 VAL 56 5.716 -10.702 8.607 467 H ASN 57 HN ASN 57 9.267 -11.889 6.051 468 HA ASN 57 HA ASN 57 9.352 -14.431 5.329 469 HB2 ASN 57 2HB ASN 57 10.857 -13.004 7.472 470 HB3 ASN 57 3HB ASN 57 11.115 -14.733 7.272 471 HD21 ASN 57 1HD2 ASN 57 11.090 -15.165 4.667 472 HD22 ASN 57 2HD2 ASN 57 12.316 -14.258 3.857 473 H GLY 58 HN GLY 58 8.688 -13.588 8.746 474 HA2 GLY 58 2HA GLY 58 7.131 -16.072 8.934 475 HA3 GLY 58 3HA GLY 58 8.423 -15.798 10.091 476 H GLY 59 HN GLY 59 6.109 -13.443 8.781 477 HA2 GLY 59 2HA GLY 59 4.587 -13.420 11.241 478 HA3 GLY 59 3HA GLY 59 5.602 -12.005 11.007 479 H GLU 60 HN GLU 60 2.928 -11.638 11.228 480 HA GLU 60 HA GLU 60 2.220 -10.810 8.503 481 HB2 GLU 60 2HB GLU 60 0.388 -12.218 10.449 482 HB3 GLU 60 3HB GLU 60 -0.158 -11.421 8.981 483 HG2 GLU 60 2HG GLU 60 0.670 -13.041 7.621 484 HG3 GLU 60 3HG GLU 60 1.985 -13.450 8.723 485 H ILE 61 HN ILE 61 2.024 -8.685 8.493 486 HA ILE 61 HA ILE 61 1.131 -7.309 10.934 487 HB ILE 61 HB ILE 61 2.439 -6.082 8.503 488 HG12 ILE 61 2HG1 ILE 61 3.938 -6.335 11.046 489 HG13 ILE 61 3HG1 ILE 61 3.704 -7.824 10.138 490 HG21 ILE 61 1HG2 ILE 61 2.344 -4.092 9.550 491 HG22 ILE 61 2HG2 ILE 61 0.999 -4.838 10.414 492 HG23 ILE 61 3HG2 ILE 61 2.603 -4.797 11.145 493 HD11 ILE 61 3HD1 ILE 61 5.743 -6.082 9.768 494 HD12 ILE 61 1HD1 ILE 61 5.168 -7.233 8.561 495 HD13 ILE 61 2HD1 ILE 61 4.607 -5.561 8.524 496 H HIS 62 HN HIS 62 -0.670 -5.998 10.928 497 HA HIS 62 HA HIS 62 -2.095 -5.671 8.385 498 HB2 HIS 62 2HB HIS 62 -3.046 -7.597 9.680 499 HB3 HIS 62 3HB HIS 62 -3.441 -6.470 10.973 500 HD1 HIS 62 1HD HIS 62 -5.880 -7.641 10.197 501 HD2 HIS 62 2HD HIS 62 -4.235 -4.668 7.805 502 HE1 HIS 62 1HE HIS 62 -7.786 -6.765 8.807 503 HE2 HIS 62 2HE HIS 62 -6.777 -4.931 7.405 504 H ALA 63 HN ALA 63 -2.199 -3.540 8.063 505 HA ALA 63 HA ALA 63 -2.982 -1.840 10.340 506 HB1 ALA 63 1HB ALA 63 -0.814 -1.143 10.158 507 HB2 ALA 63 2HB ALA 63 -0.725 -1.500 8.434 508 HB3 ALA 63 3HB ALA 63 -1.575 -0.058 8.994 509 H SER 64 HN SER 64 -4.113 0.144 9.731 510 HA SER 64 HA SER 64 -5.223 0.174 7.030 511 HB2 SER 64 2HB SER 64 -6.827 -0.025 9.581 512 HB3 SER 64 3HB SER 64 -7.516 0.605 8.083 513 HG SER 64 HG SER 64 -7.012 -1.965 8.813 514 H ALA 65 HN ALA 65 -5.969 2.233 6.369 515 HA ALA 65 HA ALA 65 -5.645 4.437 8.258 516 HB1 ALA 65 1HB ALA 65 -3.460 3.992 7.047 517 HB2 ALA 65 2HB ALA 65 -4.274 4.567 5.591 518 HB3 ALA 65 3HB ALA 65 -4.086 5.639 6.979 519 H GLU 66 HN GLU 66 -6.538 6.438 7.544 520 HA GLU 66 HA GLU 66 -8.338 6.295 5.235 521 HB2 GLU 66 2HB GLU 66 -10.157 7.308 6.550 522 HB3 GLU 66 3HB GLU 66 -9.707 5.727 7.172 523 HG2 GLU 66 2HG GLU 66 -8.185 7.782 8.480 524 HG3 GLU 66 3HG GLU 66 -9.911 8.129 8.585 525 H GLY 67 HN GLY 67 -9.096 8.459 4.543 526 HA2 GLY 67 2HA GLY 67 -7.538 10.697 5.590 527 HA3 GLY 67 3HA GLY 67 -7.259 10.251 3.917 528 H GLN 68 HN GLN 68 -9.361 10.068 2.598 529 HA GLN 68 HA GLN 68 -11.673 11.465 3.297 530 HB2 GLN 68 2HB GLN 68 -9.827 13.317 3.269 531 HB3 GLN 68 3HB GLN 68 -9.995 13.203 1.523 532 HG2 GLN 68 2HG GLN 68 -11.364 14.992 2.403 533 HG3 GLN 68 3HG GLN 68 -12.371 13.720 1.710 534 HE21 GLN 68 1HE2 GLN 68 -13.843 15.130 3.159 535 HE22 GLN 68 2HE2 GLN 68 -14.087 14.528 4.762 536 H ASP 69 HN ASP 69 -9.506 10.230 0.877 537 HA ASP 69 HA ASP 69 -11.801 9.689 -0.845 538 HB2 ASP 69 2HB ASP 69 -10.297 10.220 -2.842 539 HB3 ASP 69 3HB ASP 69 -10.924 11.596 -1.939 540 H MET 70 HN MET 70 -10.940 8.199 -2.742 541 HA MET 70 HA MET 70 -10.076 5.809 -1.544 542 HB2 MET 70 2HB MET 70 -11.438 6.031 -3.651 543 HB3 MET 70 3HB MET 70 -9.952 6.463 -4.487 544 HG2 MET 70 2HG MET 70 -9.927 4.260 -4.936 545 HG3 MET 70 3HG MET 70 -9.145 4.187 -3.358 546 HE1 MET 70 3HE MET 70 -12.527 1.962 -4.826 547 HE2 MET 70 1HE MET 70 -13.134 3.616 -4.860 548 HE3 MET 70 2HE MET 70 -11.604 3.222 -5.643 549 H TYR 71 HN TYR 71 -8.294 8.460 -2.874 550 HA TYR 71 HA TYR 71 -5.852 6.894 -3.134 551 HB2 TYR 71 2HB TYR 71 -6.499 9.790 -3.697 552 HB3 TYR 71 3HB TYR 71 -4.874 9.127 -3.827 553 HD1 TYR 71 1HD TYR 71 -5.425 6.489 -5.042 554 HD2 TYR 71 2HD TYR 71 -7.085 10.313 -5.894 555 HE1 TYR 71 1HE TYR 71 -5.902 5.763 -7.343 556 HE2 TYR 71 2HE TYR 71 -7.567 9.597 -8.196 557 HH TYR 71 HH TYR 71 -7.469 6.378 -9.180 558 H ALA 72 HN ALA 72 -7.317 9.260 -1.018 559 HA ALA 72 HA ALA 72 -5.033 9.982 0.459 560 HB1 ALA 72 1HB ALA 72 -7.640 10.769 0.447 561 HB2 ALA 72 2HB ALA 72 -7.535 9.901 1.978 562 HB3 ALA 72 3HB ALA 72 -6.446 11.249 1.652 563 H ALA 73 HN ALA 73 -7.521 7.516 1.096 564 HA ALA 73 HA ALA 73 -6.534 6.538 3.499 565 HB1 ALA 73 1HB ALA 73 -8.703 5.889 2.649 566 HB2 ALA 73 2HB ALA 73 -7.952 5.035 1.301 567 HB3 ALA 73 3HB ALA 73 -7.728 4.451 2.951 568 H ILE 74 HN ILE 74 -5.448 5.962 0.227 569 HA ILE 74 HA ILE 74 -3.731 3.760 0.934 570 HB ILE 74 HB ILE 74 -3.681 5.417 -1.589 571 HG12 ILE 74 2HG1 ILE 74 -5.914 4.457 -1.202 572 HG13 ILE 74 3HG1 ILE 74 -5.115 3.692 -2.572 573 HG21 ILE 74 1HG2 ILE 74 -1.782 4.220 -1.826 574 HG22 ILE 74 2HG2 ILE 74 -2.285 2.991 -0.664 575 HG23 ILE 74 3HG2 ILE 74 -2.902 2.948 -2.316 576 HD11 ILE 74 3HD1 ILE 74 -4.720 1.721 -1.376 577 HD12 ILE 74 1HD1 ILE 74 -5.053 2.494 0.174 578 HD13 ILE 74 2HD1 ILE 74 -6.368 2.189 -0.960 579 H ASP 75 HN ASP 75 -3.499 7.209 0.829 580 HA ASP 75 HA ASP 75 -0.657 7.382 0.647 581 HB2 ASP 75 2HB ASP 75 -2.638 9.194 0.377 582 HB3 ASP 75 3HB ASP 75 -2.138 9.548 2.027 583 H GLY 76 HN GLY 76 -2.930 7.733 3.372 584 HA2 GLY 76 2HA GLY 76 -0.879 7.914 5.339 585 HA3 GLY 76 3HA GLY 76 -2.585 7.619 5.646 586 H LEU 77 HN LEU 77 -2.716 5.250 3.982 587 HA LEU 77 HA LEU 77 -1.969 3.319 5.924 588 HB2 LEU 77 2HB LEU 77 -3.894 2.896 4.587 589 HB3 LEU 77 3HB LEU 77 -2.991 3.106 3.099 590 HG LEU 77 HG LEU 77 -1.808 1.025 3.462 591 HD11 LEU 77 1HD1 LEU 77 -3.356 0.046 5.705 592 HD12 LEU 77 2HD1 LEU 77 -1.616 0.013 5.431 593 HD13 LEU 77 3HD1 LEU 77 -2.370 1.439 6.139 594 HD21 LEU 77 3HD2 LEU 77 -3.614 0.359 2.300 595 HD22 LEU 77 1HD2 LEU 77 -4.070 -0.417 3.818 596 HD23 LEU 77 2HD2 LEU 77 -4.744 1.158 3.395 597 H ILE 78 HN ILE 78 -0.631 4.300 2.816 598 HA ILE 78 HA ILE 78 1.459 2.312 2.891 599 HB ILE 78 HB ILE 78 1.008 4.668 1.059 600 HG12 ILE 78 2HG1 ILE 78 -0.631 2.825 0.887 601 HG13 ILE 78 3HG1 ILE 78 0.350 2.979 -0.568 602 HG21 ILE 78 1HG2 ILE 78 3.238 4.447 0.712 603 HG22 ILE 78 2HG2 ILE 78 3.277 2.785 1.299 604 HG23 ILE 78 3HG2 ILE 78 2.700 3.131 -0.331 605 HD11 ILE 78 3HD1 ILE 78 -0.100 0.685 0.945 606 HD12 ILE 78 1HD1 ILE 78 1.035 0.886 -0.388 607 HD13 ILE 78 2HD1 ILE 78 1.570 1.147 1.271 608 H ASP 79 HN ASP 79 0.980 5.363 4.282 609 HA ASP 79 HA ASP 79 3.749 6.171 4.313 610 HB2 ASP 79 2HB ASP 79 1.178 7.272 5.291 611 HB3 ASP 79 3HB ASP 79 2.607 7.715 6.221 612 H LYS 80 HN LYS 80 1.408 5.115 6.782 613 HA LYS 80 HA LYS 80 3.344 4.854 8.839 614 HB2 LYS 80 2HB LYS 80 0.692 3.419 8.694 615 HB3 LYS 80 3HB LYS 80 1.606 3.836 10.136 616 HG2 LYS 80 2HG LYS 80 0.931 6.013 10.108 617 HG3 LYS 80 3HG LYS 80 0.719 6.041 8.355 618 HD2 LYS 80 2HD LYS 80 -1.199 4.331 8.864 619 HD3 LYS 80 3HD LYS 80 -1.127 5.041 10.478 620 HE2 LYS 80 2HE LYS 80 -1.264 6.823 8.088 621 HE3 LYS 80 3HE LYS 80 -2.729 6.029 8.660 622 HZ1 LYS 80 3HZ LYS 80 -1.784 7.004 10.941 623 HZ2 LYS 80 1HZ LYS 80 -2.849 7.858 9.941 624 HZ3 LYS 80 2HZ LYS 80 -1.188 8.172 9.872 625 H LEU 81 HN LEU 81 2.040 2.667 6.425 626 HA LEU 81 HA LEU 81 3.040 0.261 7.499 627 HB2 LEU 81 2HB LEU 81 2.175 1.140 4.771 628 HB3 LEU 81 3HB LEU 81 2.941 -0.420 4.977 629 HG LEU 81 HG LEU 81 0.311 -0.135 5.030 630 HD11 LEU 81 1HD1 LEU 81 1.094 -2.290 5.123 631 HD12 LEU 81 2HD1 LEU 81 2.099 -1.982 6.539 632 HD13 LEU 81 3HD1 LEU 81 0.349 -2.124 6.712 633 HD21 LEU 81 3HD2 LEU 81 0.561 1.455 7.024 634 HD22 LEU 81 1HD2 LEU 81 -0.643 0.175 7.141 635 HD23 LEU 81 2HD2 LEU 81 0.905 0.007 7.968 636 H ALA 82 HN ALA 82 4.382 2.469 5.043 637 HA ALA 82 HA ALA 82 6.706 1.038 4.473 638 HB1 ALA 82 1HB ALA 82 7.413 2.885 3.320 639 HB2 ALA 82 2HB ALA 82 5.689 3.234 3.439 640 HB3 ALA 82 3HB ALA 82 6.824 4.012 4.542 641 H ARG 83 HN ARG 83 6.316 3.736 6.773 642 HA ARG 83 HA ARG 83 8.875 3.747 7.823 643 HB2 ARG 83 2HB ARG 83 6.211 4.626 8.781 644 HB3 ARG 83 3HB ARG 83 7.472 4.471 9.999 645 HG2 ARG 83 2HG ARG 83 7.786 6.076 7.474 646 HG3 ARG 83 3HG ARG 83 7.226 6.750 9.006 647 HD2 ARG 83 2HD ARG 83 9.280 6.443 10.038 648 HD3 ARG 83 3HD ARG 83 9.784 5.204 8.890 649 HE ARG 83 HE ARG 83 10.573 6.852 7.504 650 HH11 ARG 83 2HH1 ARG 83 8.534 8.295 9.941 651 HH12 ARG 83 1HH1 ARG 83 8.955 9.918 9.509 652 HH21 ARG 83 2HH2 ARG 83 11.127 8.986 6.936 653 HH22 ARG 83 1HH2 ARG 83 10.426 10.311 7.803 654 H GLN 84 HN GLN 84 6.195 1.605 8.554 655 HA GLN 84 HA GLN 84 7.431 0.456 10.876 656 HB2 GLN 84 2HB GLN 84 5.094 -0.437 9.183 657 HB3 GLN 84 3HB GLN 84 5.611 -1.255 10.652 658 HG2 GLN 84 2HG GLN 84 5.092 1.647 10.855 659 HG3 GLN 84 3HG GLN 84 3.696 0.596 10.609 660 HE21 GLN 84 1HE2 GLN 84 5.460 2.081 12.894 661 HE22 GLN 84 2HE2 GLN 84 5.177 1.030 14.235 662 H LEU 85 HN LEU 85 6.906 -0.610 7.533 663 HA LEU 85 HA LEU 85 8.152 -3.102 7.724 664 HB2 LEU 85 2HB LEU 85 7.587 -1.211 5.487 665 HB3 LEU 85 3HB LEU 85 8.659 -2.562 5.182 666 HG LEU 85 HG LEU 85 6.211 -2.875 4.580 667 HD11 LEU 85 1HD1 LEU 85 7.058 -4.928 4.485 668 HD12 LEU 85 2HD1 LEU 85 8.055 -4.674 5.918 669 HD13 LEU 85 3HD1 LEU 85 6.371 -5.171 6.090 670 HD21 LEU 85 3HD2 LEU 85 4.893 -3.755 6.614 671 HD22 LEU 85 1HD2 LEU 85 6.012 -2.787 7.569 672 HD23 LEU 85 2HD2 LEU 85 4.990 -2.015 6.358 673 H THR 86 HN THR 86 9.503 0.081 6.964 674 HA THR 86 HA THR 86 12.127 -0.821 6.411 675 HB THR 86 HB THR 86 11.378 1.901 7.477 676 HG1 THR 86 1HG THR 86 11.321 1.043 4.778 677 HG21 THR 86 3HG2 THR 86 13.477 1.183 5.455 678 HG22 THR 86 1HG2 THR 86 13.804 1.362 7.179 679 HG23 THR 86 2HG2 THR 86 13.213 2.736 6.246 680 H LYS 87 HN LYS 87 10.530 0.268 9.366 681 HA LYS 87 HA LYS 87 12.705 0.506 11.056 682 HB2 LYS 87 2HB LYS 87 9.826 -0.068 11.395 683 HB3 LYS 87 3HB LYS 87 10.856 -0.537 12.742 684 HG2 LYS 87 2HG LYS 87 11.293 2.169 11.654 685 HG3 LYS 87 3HG LYS 87 9.761 1.893 12.485 686 HD2 LYS 87 2HD LYS 87 11.764 0.694 14.066 687 HD3 LYS 87 3HD LYS 87 12.377 2.280 13.591 688 HE2 LYS 87 2HE LYS 87 9.566 2.216 14.461 689 HE3 LYS 87 3HE LYS 87 10.753 1.843 15.711 690 HZ1 LYS 87 3HZ LYS 87 10.881 4.251 13.983 691 HZ2 LYS 87 1HZ LYS 87 11.832 3.916 15.341 692 HZ3 LYS 87 2HZ LYS 87 10.181 4.235 15.523 693 H HIS 88 HN HIS 88 10.652 -2.400 10.757 694 HA HIS 88 HA HIS 88 12.436 -4.040 12.221 695 HB2 HIS 88 2HB HIS 88 10.979 -5.828 11.764 696 HB3 HIS 88 3HB HIS 88 9.937 -4.413 11.809 697 HD1 HIS 88 1HD HIS 88 8.203 -4.593 10.081 698 HD2 HIS 88 2HD HIS 88 11.819 -6.179 8.784 699 HE1 HIS 88 1HE HIS 88 7.782 -5.395 7.735 700 HE2 HIS 88 2HE HIS 88 9.955 -6.444 7.010 701 H LYS 89 HN LYS 89 12.268 -3.141 8.878 702 HA LYS 89 HA LYS 89 13.818 -5.282 7.834 703 HB2 LYS 89 2HB LYS 89 12.779 -2.704 6.853 704 HB3 LYS 89 3HB LYS 89 14.253 -3.258 6.070 705 HG2 LYS 89 2HG LYS 89 11.875 -5.055 6.373 706 HG3 LYS 89 3HG LYS 89 12.017 -3.919 5.029 707 HD2 LYS 89 2HD LYS 89 14.069 -6.018 5.729 708 HD3 LYS 89 3HD LYS 89 12.831 -6.201 4.486 709 HE2 LYS 89 2HE LYS 89 14.133 -5.158 3.021 710 HE3 LYS 89 3HE LYS 89 14.170 -3.729 4.052 711 HZ1 LYS 89 3HZ LYS 89 16.025 -6.044 4.162 712 HZ2 LYS 89 1HZ LYS 89 16.021 -4.772 5.278 713 HZ3 LYS 89 2HZ LYS 89 16.395 -4.474 3.656 714 H ASP 90 HN ASP 90 14.624 -2.463 9.622 715 HA ASP 90 HA ASP 90 17.343 -2.290 8.678 716 HB2 ASP 90 2HB ASP 90 15.669 -0.522 9.921 717 HB3 ASP 90 3HB ASP 90 16.696 -1.027 11.259 718 H LYS 91 HN LYS 91 15.620 -3.932 11.202 719 HA LYS 91 HA LYS 91 17.849 -4.475 12.885 720 HB2 LYS 91 2HB LYS 91 15.100 -5.660 12.614 721 HB3 LYS 91 3HB LYS 91 16.285 -6.356 13.709 722 HG2 LYS 91 2HG LYS 91 15.744 -4.872 15.249 723 HG3 LYS 91 3HG LYS 91 16.225 -3.563 14.168 724 HD2 LYS 91 2HD LYS 91 14.027 -3.406 13.256 725 HD3 LYS 91 3HD LYS 91 13.520 -4.888 14.071 726 HE2 LYS 91 2HE LYS 91 14.375 -3.365 16.165 727 HE3 LYS 91 3HE LYS 91 13.705 -2.142 15.084 728 HZ1 LYS 91 3HZ LYS 91 11.609 -3.047 15.218 729 HZ2 LYS 91 1HZ LYS 91 12.180 -3.312 16.789 730 HZ3 LYS 91 2HZ LYS 91 12.163 -4.580 15.671 731 H LEU 92 HN LEU 92 16.149 -6.394 10.421 732 HA LEU 92 HA LEU 92 18.251 -8.415 10.545 733 HB2 LEU 92 2HB LEU 92 15.607 -8.329 9.097 734 HB3 LEU 92 3HB LEU 92 16.757 -9.642 8.937 735 HG LEU 92 HG LEU 92 16.535 -9.699 11.578 736 HD11 LEU 92 1HD1 LEU 92 14.937 -7.672 11.350 737 HD12 LEU 92 2HD1 LEU 92 13.746 -8.884 10.875 738 HD13 LEU 92 3HD1 LEU 92 14.521 -8.980 12.456 739 HD21 LEU 92 3HD2 LEU 92 15.801 -11.327 9.606 740 HD22 LEU 92 1HD2 LEU 92 15.349 -11.615 11.286 741 HD23 LEU 92 2HD2 LEU 92 14.199 -10.867 10.178 742 H LYS 93 HN LYS 93 19.191 -6.027 9.582 743 HA LYS 93 HA LYS 93 19.311 -6.365 6.667 744 HB2 LYS 93 2HB LYS 93 18.656 -4.136 7.463 745 HB3 LYS 93 3HB LYS 93 20.150 -4.021 8.383 746 HG2 LYS 93 2HG LYS 93 21.453 -4.026 6.356 747 HG3 LYS 93 3HG LYS 93 20.001 -4.285 5.387 748 HD2 LYS 93 2HD LYS 93 19.156 -2.103 6.468 749 HD3 LYS 93 3HD LYS 93 20.847 -1.840 6.904 750 HE2 LYS 93 2HE LYS 93 19.656 -2.105 4.154 751 HE3 LYS 93 3HE LYS 93 20.491 -0.715 4.847 752 HZ1 LYS 93 3HZ LYS 93 22.145 -1.618 3.590 753 HZ2 LYS 93 1HZ LYS 93 21.600 -3.208 3.780 754 HZ3 LYS 93 2HZ LYS 93 22.429 -2.442 5.039 755 H GLN 94 HN GLN 94 21.283 -6.200 9.572 756 HA GLN 94 HA GLN 94 23.379 -7.691 8.299 757 HB2 GLN 94 2HB GLN 94 25.157 -6.058 8.619 758 HB3 GLN 94 3HB GLN 94 23.925 -5.416 7.539 759 HG2 GLN 94 2HG GLN 94 23.413 -3.739 8.923 760 HG3 GLN 94 3HG GLN 94 23.500 -4.762 10.356 761 HE21 GLN 94 1HE2 GLN 94 25.820 -3.731 7.872 762 HE22 GLN 94 2HE2 GLN 94 27.012 -3.155 8.982 763 H HIS 95 HN HIS 95 25.387 -7.641 9.953 764 HA HIS 95 HA HIS 95 24.724 -7.357 12.708 765 HB2 HIS 95 2HB HIS 95 23.465 -9.459 11.997 766 HB3 HIS 95 3HB HIS 95 25.042 -10.212 11.789 767 HD1 HIS 95 1HD HIS 95 24.348 -7.878 14.643 768 HD2 HIS 95 2HD HIS 95 24.712 -11.955 13.929 769 HE1 HIS 95 1HE HIS 95 24.437 -8.953 16.915 770 HE2 HIS 95 2HE HIS 95 24.570 -11.427 16.457 Start of MODEL 5 1 H1 MET 1 1H MET 1 0.061 -16.875 -5.636 2 H2 MET 1 2H MET 1 -0.092 -18.266 -4.643 3 H3 MET 1 3H MET 1 1.407 -17.908 -5.399 4 HA MET 1 HA MET 1 0.081 -16.555 -3.166 5 HB2 MET 1 2HB MET 1 2.704 -17.933 -3.696 6 HB3 MET 1 3HB MET 1 2.523 -16.825 -2.343 7 HG2 MET 1 2HG MET 1 0.498 -18.271 -1.703 8 HG3 MET 1 3HG MET 1 1.187 -19.460 -2.808 9 HE1 MET 1 2HE MET 1 2.218 -21.432 -1.565 10 HE2 MET 1 3HE MET 1 3.456 -20.615 -2.520 11 HE3 MET 1 1HE MET 1 3.827 -21.175 -0.889 12 H GLN 2 HN GLN 2 -0.317 -14.560 -4.215 13 HA GLN 2 HA GLN 2 2.082 -12.916 -4.505 14 HB2 GLN 2 2HB GLN 2 -0.173 -12.731 -6.499 15 HB3 GLN 2 3HB GLN 2 1.413 -11.978 -6.584 16 HG2 GLN 2 2HG GLN 2 2.117 -14.577 -6.493 17 HG3 GLN 2 3HG GLN 2 0.562 -14.692 -7.316 18 HE21 GLN 2 1HE2 GLN 2 0.629 -12.254 -8.682 19 HE22 GLN 2 2HE2 GLN 2 1.853 -12.342 -9.899 20 H LEU 3 HN LEU 3 0.542 -10.627 -5.446 21 HA LEU 3 HA LEU 3 -0.921 -10.043 -2.961 22 HB2 LEU 3 2HB LEU 3 -0.277 -7.783 -3.129 23 HB3 LEU 3 3HB LEU 3 1.167 -8.721 -3.454 24 HG LEU 3 HG LEU 3 -0.493 -7.725 -5.740 25 HD11 LEU 3 1HD1 LEU 3 0.283 -5.947 -3.886 26 HD12 LEU 3 2HD1 LEU 3 1.753 -6.033 -4.856 27 HD13 LEU 3 3HD1 LEU 3 0.222 -5.591 -5.612 28 HD21 LEU 3 3HD2 LEU 3 1.899 -9.176 -5.459 29 HD22 LEU 3 1HD2 LEU 3 1.189 -8.538 -6.940 30 HD23 LEU 3 2HD2 LEU 3 2.354 -7.573 -6.035 31 H ASN 4 HN ASN 4 -2.930 -9.085 -3.037 32 HA ASN 4 HA ASN 4 -4.093 -8.458 -5.638 33 HB2 ASN 4 2HB ASN 4 -4.492 -10.959 -4.572 34 HB3 ASN 4 3HB ASN 4 -5.899 -10.078 -3.981 35 HD21 ASN 4 1HD2 ASN 4 -4.155 -11.117 -6.824 36 HD22 ASN 4 2HD2 ASN 4 -5.470 -10.942 -7.932 37 H ILE 5 HN ILE 5 -6.348 -7.547 -5.365 38 HA ILE 5 HA ILE 5 -6.582 -6.093 -2.813 39 HB ILE 5 HB ILE 5 -7.514 -4.819 -5.350 40 HG12 ILE 5 2HG1 ILE 5 -4.675 -4.625 -4.314 41 HG13 ILE 5 3HG1 ILE 5 -5.160 -5.494 -5.768 42 HG21 ILE 5 1HG2 ILE 5 -6.560 -3.836 -2.674 43 HG22 ILE 5 2HG2 ILE 5 -6.878 -2.768 -4.041 44 HG23 ILE 5 3HG2 ILE 5 -8.184 -3.735 -3.353 45 HD11 ILE 5 3HD1 ILE 5 -5.796 -2.593 -5.461 46 HD12 ILE 5 1HD1 ILE 5 -4.196 -3.116 -5.982 47 HD13 ILE 5 2HD1 ILE 5 -5.618 -3.552 -6.930 48 H THR 6 HN THR 6 -8.734 -5.484 -2.197 49 HA THR 6 HA THR 6 -10.870 -6.895 -3.639 50 HB THR 6 HB THR 6 -10.921 -6.685 -0.648 51 HG1 THR 6 1HG THR 6 -9.052 -7.759 -0.838 52 HG21 THR 6 3HG2 THR 6 -11.996 -8.781 -2.519 53 HG22 THR 6 1HG2 THR 6 -12.930 -7.463 -1.817 54 HG23 THR 6 2HG2 THR 6 -12.234 -8.703 -0.774 55 H GLY 7 HN GLY 7 -12.354 -5.480 -4.290 56 HA2 GLY 7 2HA GLY 7 -12.551 -2.915 -2.872 57 HA3 GLY 7 3HA GLY 7 -13.081 -3.218 -4.518 58 H ASN 8 HN ASN 8 -14.190 -2.489 -1.583 59 HA ASN 8 HA ASN 8 -16.689 -4.010 -1.931 60 HB2 ASN 8 2HB ASN 8 -17.044 -3.391 0.543 61 HB3 ASN 8 3HB ASN 8 -15.859 -4.641 0.181 62 HD21 ASN 8 1HD2 ASN 8 -15.486 -3.733 2.522 63 HD22 ASN 8 2HD2 ASN 8 -14.221 -2.561 2.628 64 H ASN 9 HN ASN 9 -18.120 -2.754 -2.941 65 HA ASN 9 HA ASN 9 -19.541 -1.019 -3.351 66 HB2 ASN 9 2HB ASN 9 -19.578 -0.885 -0.794 67 HB3 ASN 9 3HB ASN 9 -18.403 0.416 -0.952 68 HD21 ASN 9 1HD2 ASN 9 -21.635 -0.608 -1.899 69 HD22 ASN 9 2HD2 ASN 9 -22.289 0.983 -2.060 70 H VAL 10 HN VAL 10 -16.822 -1.184 -4.373 71 HA VAL 10 HA VAL 10 -16.619 1.517 -5.394 72 HB VAL 10 HB VAL 10 -15.162 1.614 -3.431 73 HG11 VAL 10 1HG1 VAL 10 -14.637 -0.974 -3.840 74 HG12 VAL 10 2HG1 VAL 10 -13.206 -0.268 -4.590 75 HG13 VAL 10 3HG1 VAL 10 -13.584 0.086 -2.905 76 HG21 VAL 10 3HG2 VAL 10 -14.508 2.996 -5.252 77 HG22 VAL 10 1HG2 VAL 10 -13.040 2.240 -4.631 78 HG23 VAL 10 2HG2 VAL 10 -13.787 1.635 -6.111 79 H GLU 11 HN GLU 11 -15.961 1.551 -7.482 80 HA GLU 11 HA GLU 11 -15.597 -0.978 -8.808 81 HB2 GLU 11 2HB GLU 11 -16.234 1.769 -9.574 82 HB3 GLU 11 3HB GLU 11 -15.144 0.983 -10.707 83 HG2 GLU 11 2HG GLU 11 -17.368 -0.716 -9.925 84 HG3 GLU 11 3HG GLU 11 -17.883 0.789 -10.685 85 H ILE 12 HN ILE 12 -13.715 -1.953 -9.090 86 HA ILE 12 HA ILE 12 -11.232 -0.522 -8.658 87 HB ILE 12 HB ILE 12 -11.824 -3.431 -9.212 88 HG12 ILE 12 2HG1 ILE 12 -12.355 -2.367 -6.948 89 HG13 ILE 12 3HG1 ILE 12 -11.340 -3.806 -6.929 90 HG21 ILE 12 1HG2 ILE 12 -9.364 -3.721 -8.551 91 HG22 ILE 12 2HG2 ILE 12 -9.717 -3.163 -10.187 92 HG23 ILE 12 3HG2 ILE 12 -9.192 -2.012 -8.957 93 HD11 ILE 12 3HD1 ILE 12 -10.796 -1.521 -5.593 94 HD12 ILE 12 1HD1 ILE 12 -9.584 -2.704 -6.087 95 HD13 ILE 12 2HD1 ILE 12 -9.875 -1.272 -7.075 96 H THR 13 HN THR 13 -10.772 0.779 -10.364 97 HA THR 13 HA THR 13 -10.901 -0.333 -13.069 98 HB THR 13 HB THR 13 -10.717 1.915 -13.871 99 HG1 THR 13 1HG THR 13 -10.062 2.572 -11.196 100 HG21 THR 13 3HG2 THR 13 -12.845 2.267 -13.411 101 HG22 THR 13 1HG2 THR 13 -12.373 2.947 -11.853 102 HG23 THR 13 2HG2 THR 13 -12.744 1.227 -11.989 103 H GLU 14 HN GLU 14 -9.118 -0.423 -14.434 104 HA GLU 14 HA GLU 14 -6.754 -1.350 -13.588 105 HB2 GLU 14 2HB GLU 14 -7.083 0.510 -15.946 106 HB3 GLU 14 3HB GLU 14 -5.754 -0.614 -15.703 107 HG2 GLU 14 2HG GLU 14 -7.488 -2.452 -15.681 108 HG3 GLU 14 3HG GLU 14 -8.635 -1.243 -16.259 109 H ALA 15 HN ALA 15 -7.628 2.053 -13.667 110 HA ALA 15 HA ALA 15 -4.993 3.022 -13.139 111 HB1 ALA 15 1HB ALA 15 -6.038 5.169 -12.812 112 HB2 ALA 15 2HB ALA 15 -6.763 4.381 -14.212 113 HB3 ALA 15 3HB ALA 15 -7.627 4.416 -12.675 114 H LEU 16 HN LEU 16 -7.888 2.537 -11.129 115 HA LEU 16 HA LEU 16 -6.834 3.445 -8.713 116 HB2 LEU 16 2HB LEU 16 -9.247 2.726 -9.378 117 HB3 LEU 16 3HB LEU 16 -8.744 1.142 -8.820 118 HG LEU 16 HG LEU 16 -9.964 2.422 -7.098 119 HD11 LEU 16 1HD1 LEU 16 -7.281 2.328 -5.921 120 HD12 LEU 16 2HD1 LEU 16 -8.757 1.478 -5.463 121 HD13 LEU 16 3HD1 LEU 16 -7.761 0.867 -6.783 122 HD21 LEU 16 3HD2 LEU 16 -8.546 4.578 -8.012 123 HD22 LEU 16 1HD2 LEU 16 -9.462 4.520 -6.505 124 HD23 LEU 16 2HD2 LEU 16 -7.727 4.202 -6.495 125 H ARG 17 HN ARG 17 -7.302 0.017 -9.582 126 HA ARG 17 HA ARG 17 -5.838 -1.120 -7.559 127 HB2 ARG 17 2HB ARG 17 -5.363 -2.987 -9.266 128 HB3 ARG 17 3HB ARG 17 -7.038 -2.620 -8.887 129 HG2 ARG 17 2HG ARG 17 -7.495 -1.962 -10.974 130 HG3 ARG 17 3HG ARG 17 -5.963 -1.106 -11.149 131 HD2 ARG 17 2HD ARG 17 -6.264 -4.102 -11.289 132 HD3 ARG 17 3HD ARG 17 -6.239 -3.042 -12.694 133 HE ARG 17 HE ARG 17 -3.964 -2.593 -12.295 134 HH11 ARG 17 2HH1 ARG 17 -5.271 -4.894 -10.007 135 HH12 ARG 17 1HH1 ARG 17 -3.714 -5.469 -9.516 136 HH21 ARG 17 2HH2 ARG 17 -1.925 -3.353 -11.641 137 HH22 ARG 17 1HH2 ARG 17 -1.818 -4.595 -10.439 138 H GLU 18 HN GLU 18 -4.644 0.208 -10.600 139 HA GLU 18 HA GLU 18 -1.987 -0.683 -10.382 140 HB2 GLU 18 2HB GLU 18 -3.383 1.467 -11.902 141 HB3 GLU 18 3HB GLU 18 -1.630 1.539 -11.799 142 HG2 GLU 18 2HG GLU 18 -3.203 -0.817 -12.812 143 HG3 GLU 18 3HG GLU 18 -2.431 0.401 -13.825 144 H PHE 19 HN PHE 19 -3.570 2.289 -9.267 145 HA PHE 19 HA PHE 19 -1.337 3.672 -8.371 146 HB2 PHE 19 2HB PHE 19 -3.627 4.614 -8.507 147 HB3 PHE 19 3HB PHE 19 -4.085 3.651 -7.106 148 HD1 PHE 19 1HD PHE 19 -3.073 4.133 -4.897 149 HD2 PHE 19 2HD PHE 19 -2.437 6.645 -8.273 150 HE1 PHE 19 1HE PHE 19 -2.316 5.938 -3.407 151 HE2 PHE 19 2HE PHE 19 -1.678 8.454 -6.789 152 HZ PHE 19 HZ PHE 19 -1.617 8.102 -4.351 153 H VAL 20 HN VAL 20 -3.367 1.343 -6.609 154 HA VAL 20 HA VAL 20 -2.023 1.516 -4.150 155 HB VAL 20 HB VAL 20 -3.385 -0.947 -5.246 156 HG11 VAL 20 1HG1 VAL 20 -3.329 -1.809 -3.163 157 HG12 VAL 20 2HG1 VAL 20 -1.952 -0.722 -2.971 158 HG13 VAL 20 3HG1 VAL 20 -3.547 -0.238 -2.392 159 HG21 VAL 20 3HG2 VAL 20 -5.405 -0.020 -4.964 160 HG22 VAL 20 1HG2 VAL 20 -4.933 0.776 -3.463 161 HG23 VAL 20 2HG2 VAL 20 -4.554 1.523 -5.015 162 H THR 21 HN THR 21 -1.591 -0.745 -6.862 163 HA THR 21 HA THR 21 0.556 -2.166 -5.670 164 HB THR 21 HB THR 21 0.165 -1.941 -8.641 165 HG1 THR 21 1HG THR 21 -1.467 -3.323 -6.789 166 HG21 THR 21 3HG2 THR 21 0.490 -4.534 -7.287 167 HG22 THR 21 1HG2 THR 21 1.891 -3.463 -7.281 168 HG23 THR 21 2HG2 THR 21 1.159 -3.949 -8.811 169 H ALA 22 HN ALA 22 0.344 0.702 -7.656 170 HA ALA 22 HA ALA 22 2.975 0.931 -8.528 171 HB1 ALA 22 1HB ALA 22 0.970 3.060 -7.806 172 HB2 ALA 22 2HB ALA 22 2.519 3.395 -8.583 173 HB3 ALA 22 3HB ALA 22 1.316 2.401 -9.404 174 H LYS 23 HN LYS 23 1.506 1.982 -5.480 175 HA LYS 23 HA LYS 23 3.871 3.187 -4.454 176 HB2 LYS 23 2HB LYS 23 1.441 2.152 -2.980 177 HB3 LYS 23 3HB LYS 23 2.673 3.210 -2.306 178 HG2 LYS 23 2HG LYS 23 1.158 4.031 -4.747 179 HG3 LYS 23 3HG LYS 23 0.446 4.217 -3.143 180 HD2 LYS 23 2HD LYS 23 2.097 5.725 -2.458 181 HD3 LYS 23 3HD LYS 23 3.195 5.253 -3.758 182 HE2 LYS 23 2HE LYS 23 1.056 6.134 -5.174 183 HE3 LYS 23 3HE LYS 23 0.973 7.180 -3.757 184 HZ1 LYS 23 3HZ LYS 23 3.284 7.808 -4.148 185 HZ2 LYS 23 1HZ LYS 23 2.314 8.180 -5.483 186 HZ3 LYS 23 2HZ LYS 23 3.332 6.830 -5.527 187 H PHE 24 HN PHE 24 2.255 0.084 -3.775 188 HA PHE 24 HA PHE 24 4.048 -0.945 -1.939 189 HB2 PHE 24 2HB PHE 24 2.061 -2.067 -3.804 190 HB3 PHE 24 3HB PHE 24 3.331 -3.188 -3.325 191 HD1 PHE 24 2HD PHE 24 3.685 -3.669 -0.902 192 HD2 PHE 24 1HD PHE 24 0.325 -1.481 -2.328 193 HE1 PHE 24 2HE PHE 24 2.512 -4.095 1.218 194 HE2 PHE 24 1HE PHE 24 -0.853 -1.902 -0.210 195 HZ PHE 24 HZ PHE 24 0.240 -3.211 1.566 196 H ALA 25 HN ALA 25 4.157 -1.137 -5.481 197 HA ALA 25 HA ALA 25 6.395 -2.746 -5.782 198 HB1 ALA 25 1HB ALA 25 5.101 -0.648 -7.442 199 HB2 ALA 25 2HB ALA 25 6.709 -1.204 -7.909 200 HB3 ALA 25 3HB ALA 25 5.379 -2.356 -7.789 201 H LYS 26 HN LYS 26 6.241 0.803 -5.515 202 HA LYS 26 HA LYS 26 8.965 1.332 -5.718 203 HB2 LYS 26 2HB LYS 26 6.849 2.909 -5.534 204 HB3 LYS 26 3HB LYS 26 7.291 2.935 -3.832 205 HG2 LYS 26 2HG LYS 26 9.359 3.504 -5.907 206 HG3 LYS 26 3HG LYS 26 8.201 4.754 -5.447 207 HD2 LYS 26 2HD LYS 26 9.445 3.353 -3.188 208 HD3 LYS 26 3HD LYS 26 10.568 4.280 -4.183 209 HE2 LYS 26 2HE LYS 26 8.291 5.898 -3.811 210 HE3 LYS 26 3HE LYS 26 8.682 5.208 -2.237 211 HZ1 LYS 26 3HZ LYS 26 9.842 7.288 -2.584 212 HZ2 LYS 26 1HZ LYS 26 10.560 6.694 -3.996 213 HZ3 LYS 26 2HZ LYS 26 10.952 6.015 -2.496 214 H LEU 27 HN LEU 27 7.095 0.063 -3.078 215 HA LEU 27 HA LEU 27 9.161 0.500 -1.105 216 HB2 LEU 27 2HB LEU 27 6.474 -0.816 -1.117 217 HB3 LEU 27 3HB LEU 27 7.593 -1.151 0.191 218 HG LEU 27 HG LEU 27 7.719 1.380 0.524 219 HD11 LEU 27 1HD1 LEU 27 6.068 2.759 -0.380 220 HD12 LEU 27 2HD1 LEU 27 6.603 1.776 -1.744 221 HD13 LEU 27 3HD1 LEU 27 5.093 1.392 -0.919 222 HD21 LEU 27 3HD2 LEU 27 4.943 0.566 1.090 223 HD22 LEU 27 1HD2 LEU 27 6.204 -0.515 1.684 224 HD23 LEU 27 2HD2 LEU 27 6.193 1.179 2.173 225 H GLU 28 HN GLU 28 8.167 -1.986 -3.304 226 HA GLU 28 HA GLU 28 9.421 -4.204 -2.114 227 HB2 GLU 28 2HB GLU 28 8.607 -3.573 -4.939 228 HB3 GLU 28 3HB GLU 28 9.414 -5.081 -4.531 229 HG2 GLU 28 2HG GLU 28 7.250 -4.654 -2.718 230 HG3 GLU 28 3HG GLU 28 6.674 -4.473 -4.374 231 H GLN 29 HN GLN 29 10.789 -1.446 -3.533 232 HA GLN 29 HA GLN 29 13.099 -2.601 -4.713 233 HB2 GLN 29 2HB GLN 29 12.296 -0.328 -5.247 234 HB3 GLN 29 3HB GLN 29 12.704 0.189 -3.617 235 HG2 GLN 29 2HG GLN 29 15.067 -0.840 -4.409 236 HG3 GLN 29 3HG GLN 29 14.430 -0.263 -5.948 237 HE21 GLN 29 1HE2 GLN 29 13.031 1.957 -5.126 238 HE22 GLN 29 2HE2 GLN 29 14.133 3.140 -4.517 239 H TYR 30 HN TYR 30 12.657 -0.869 -1.624 240 HA TYR 30 HA TYR 30 15.223 -1.878 -0.700 241 HB2 TYR 30 2HB TYR 30 14.482 -0.519 1.421 242 HB3 TYR 30 3HB TYR 30 15.060 0.313 -0.017 243 HD1 TYR 30 1HD TYR 30 11.804 -0.994 1.294 244 HD2 TYR 30 2HD TYR 30 13.877 2.186 -0.623 245 HE1 TYR 30 1HE TYR 30 9.725 0.316 1.236 246 HE2 TYR 30 2HE TYR 30 11.803 3.506 -0.689 247 HH TYR 30 HH TYR 30 9.169 2.880 1.132 248 H PHE 31 HN PHE 31 11.852 -2.569 -0.306 249 HA PHE 31 HA PHE 31 12.346 -4.219 2.053 250 HB2 PHE 31 2HB PHE 31 9.802 -3.538 0.567 251 HB3 PHE 31 3HB PHE 31 9.865 -4.636 1.938 252 HD1 PHE 31 1HD PHE 31 12.105 -2.814 3.299 253 HD2 PHE 31 2HD PHE 31 8.200 -2.139 1.749 254 HE1 PHE 31 1HE PHE 31 11.831 -0.911 4.828 255 HE2 PHE 31 2HE PHE 31 7.921 -0.230 3.275 256 HZ PHE 31 HZ PHE 31 9.738 0.386 4.817 257 H ASP 32 HN ASP 32 12.695 -6.340 1.956 258 HA ASP 32 HA ASP 32 12.303 -7.684 -0.628 259 HB2 ASP 32 2HB ASP 32 14.584 -7.545 0.742 260 HB3 ASP 32 3HB ASP 32 13.893 -8.947 1.554 261 H ARG 33 HN ARG 33 11.504 -7.818 2.772 262 HA ARG 33 HA ARG 33 10.376 -10.429 2.747 263 HB2 ARG 33 2HB ARG 33 9.660 -8.196 4.643 264 HB3 ARG 33 3HB ARG 33 9.550 -9.926 4.930 265 HG2 ARG 33 2HG ARG 33 11.639 -10.021 5.662 266 HG3 ARG 33 3HG ARG 33 12.245 -9.166 4.243 267 HD2 ARG 33 2HD ARG 33 10.853 -7.328 5.940 268 HD3 ARG 33 3HD ARG 33 12.038 -8.219 6.892 269 HE ARG 33 HE ARG 33 12.566 -6.279 4.836 270 HH11 ARG 33 2HH1 ARG 33 13.847 -8.999 6.608 271 HH12 ARG 33 1HH1 ARG 33 15.499 -8.566 6.324 272 HH21 ARG 33 2HH2 ARG 33 14.738 -5.709 4.460 273 HH22 ARG 33 1HH2 ARG 33 16.005 -6.698 5.105 274 H ILE 34 HN ILE 34 9.241 -9.902 0.609 275 HA ILE 34 HA ILE 34 6.467 -9.199 1.248 276 HB ILE 34 HB ILE 34 7.821 -8.252 -1.277 277 HG12 ILE 34 2HG1 ILE 34 7.020 -6.530 1.070 278 HG13 ILE 34 3HG1 ILE 34 8.652 -7.160 0.873 279 HG21 ILE 34 1HG2 ILE 34 5.807 -6.940 -1.589 280 HG22 ILE 34 2HG2 ILE 34 5.401 -8.646 -1.419 281 HG23 ILE 34 3HG2 ILE 34 5.152 -7.543 -0.067 282 HD11 ILE 34 3HD1 ILE 34 8.180 -6.017 -1.561 283 HD12 ILE 34 1HD1 ILE 34 7.326 -4.936 -0.459 284 HD13 ILE 34 2HD1 ILE 34 9.043 -5.262 -0.221 285 H ASN 35 HN ASN 35 5.404 -11.045 0.910 286 HA ASN 35 HA ASN 35 5.962 -12.527 -1.576 287 HB2 ASN 35 2HB ASN 35 5.076 -14.547 -0.194 288 HB3 ASN 35 3HB ASN 35 6.738 -14.015 0.037 289 HD21 ASN 35 1HD2 ASN 35 7.294 -12.919 1.928 290 HD22 ASN 35 2HD2 ASN 35 6.298 -12.976 3.340 291 H GLN 36 HN GLN 36 3.464 -12.243 0.967 292 HA GLN 36 HA GLN 36 1.454 -12.091 -1.181 293 HB2 GLN 36 2HB GLN 36 1.348 -14.306 -0.157 294 HB3 GLN 36 3HB GLN 36 1.211 -13.584 1.439 295 HG2 GLN 36 2HG GLN 36 -0.986 -13.576 1.229 296 HG3 GLN 36 3HG GLN 36 -0.844 -12.480 -0.143 297 HE21 GLN 36 1HE2 GLN 36 -1.753 -15.554 0.888 298 HE22 GLN 36 2HE2 GLN 36 -2.015 -16.272 -0.660 299 H VAL 37 HN VAL 37 0.496 -10.177 -1.144 300 HA VAL 37 HA VAL 37 -0.134 -8.964 1.460 301 HB VAL 37 HB VAL 37 0.748 -7.390 -0.962 302 HG11 VAL 37 1HG1 VAL 37 0.508 -5.490 0.294 303 HG12 VAL 37 2HG1 VAL 37 -0.800 -6.469 0.956 304 HG13 VAL 37 3HG1 VAL 37 0.730 -6.339 1.824 305 HG21 VAL 37 3HG2 VAL 37 2.700 -6.965 0.849 306 HG22 VAL 37 1HG2 VAL 37 2.300 -8.644 1.207 307 HG23 VAL 37 2HG2 VAL 37 2.791 -8.184 -0.423 308 H TYR 38 HN TYR 38 -2.160 -8.164 1.651 309 HA TYR 38 HA TYR 38 -3.783 -7.959 -0.786 310 HB2 TYR 38 2HB TYR 38 -5.698 -8.755 0.858 311 HB3 TYR 38 3HB TYR 38 -4.699 -9.912 -0.010 312 HD1 TYR 38 1HD TYR 38 -2.588 -10.771 1.252 313 HD2 TYR 38 2HD TYR 38 -5.913 -8.928 3.165 314 HE1 TYR 38 1HE TYR 38 -1.934 -11.815 3.378 315 HE2 TYR 38 2HE TYR 38 -5.266 -9.965 5.300 316 HH TYR 38 HH TYR 38 -2.283 -11.316 5.859 317 H VAL 39 HN VAL 39 -4.990 -6.193 -0.965 318 HA VAL 39 HA VAL 39 -5.236 -4.437 1.392 319 HB VAL 39 HB VAL 39 -4.974 -3.452 -1.447 320 HG11 VAL 39 1HG1 VAL 39 -4.342 -1.872 1.003 321 HG12 VAL 39 2HG1 VAL 39 -4.887 -1.323 -0.581 322 HG13 VAL 39 3HG1 VAL 39 -6.024 -2.093 0.523 323 HG21 VAL 39 3HG2 VAL 39 -2.825 -3.762 0.647 324 HG22 VAL 39 1HG2 VAL 39 -2.918 -4.589 -0.908 325 HG23 VAL 39 2HG2 VAL 39 -2.647 -2.848 -0.852 326 H VAL 40 HN VAL 40 -7.152 -3.323 1.666 327 HA VAL 40 HA VAL 40 -9.275 -3.696 -0.312 328 HB VAL 40 HB VAL 40 -9.714 -4.315 2.615 329 HG11 VAL 40 1HG1 VAL 40 -11.534 -3.498 0.790 330 HG12 VAL 40 2HG1 VAL 40 -11.600 -5.245 0.557 331 HG13 VAL 40 3HG1 VAL 40 -11.905 -4.556 2.151 332 HG21 VAL 40 3HG2 VAL 40 -8.612 -6.221 2.100 333 HG22 VAL 40 1HG2 VAL 40 -10.165 -6.665 1.390 334 HG23 VAL 40 2HG2 VAL 40 -8.875 -6.033 0.366 335 H LEU 41 HN LEU 41 -10.491 -1.972 -0.567 336 HA LEU 41 HA LEU 41 -10.436 0.113 1.497 337 HB2 LEU 41 2HB LEU 41 -10.510 1.680 -0.621 338 HB3 LEU 41 3HB LEU 41 -8.995 1.115 0.057 339 HG LEU 41 HG LEU 41 -9.030 0.995 -2.398 340 HD11 LEU 41 1HD1 LEU 41 -7.665 -0.742 -2.327 341 HD12 LEU 41 2HD1 LEU 41 -8.134 -0.921 -0.636 342 HD13 LEU 41 3HD1 LEU 41 -8.967 -1.846 -1.887 343 HD21 LEU 41 3HD2 LEU 41 -11.526 0.469 -2.466 344 HD22 LEU 41 1HD2 LEU 41 -10.485 -0.354 -3.626 345 HD23 LEU 41 2HD2 LEU 41 -11.051 -1.205 -2.191 346 H LYS 42 HN LYS 42 -12.347 0.892 2.045 347 HA LYS 42 HA LYS 42 -14.670 0.208 0.382 348 HB2 LYS 42 2HB LYS 42 -14.866 -0.675 2.604 349 HB3 LYS 42 3HB LYS 42 -14.419 0.867 3.319 350 HG2 LYS 42 2HG LYS 42 -16.505 1.849 2.472 351 HG3 LYS 42 3HG LYS 42 -16.955 0.277 1.806 352 HD2 LYS 42 2HD LYS 42 -18.050 0.664 3.951 353 HD3 LYS 42 3HD LYS 42 -16.917 -0.684 4.058 354 HE2 LYS 42 2HE LYS 42 -15.273 0.730 5.122 355 HE3 LYS 42 3HE LYS 42 -16.306 2.144 4.909 356 HZ1 LYS 42 3HZ LYS 42 -17.974 0.958 6.323 357 HZ2 LYS 42 1HZ LYS 42 -16.558 1.417 7.130 358 HZ3 LYS 42 2HZ LYS 42 -16.785 -0.194 6.669 359 H VAL 43 HN VAL 43 -16.028 1.756 -0.384 360 HA VAL 43 HA VAL 43 -15.291 4.555 0.176 361 HB VAL 43 HB VAL 43 -16.434 3.511 -2.416 362 HG11 VAL 43 1HG1 VAL 43 -15.083 6.151 -1.953 363 HG12 VAL 43 2HG1 VAL 43 -16.132 5.661 -3.284 364 HG13 VAL 43 3HG1 VAL 43 -16.812 5.936 -1.681 365 HG21 VAL 43 3HG2 VAL 43 -13.586 4.280 -1.785 366 HG22 VAL 43 1HG2 VAL 43 -14.172 2.636 -2.034 367 HG23 VAL 43 2HG2 VAL 43 -14.211 3.796 -3.361 368 H GLU 44 HN GLU 44 -16.806 5.525 1.327 369 HA GLU 44 HA GLU 44 -19.619 5.077 0.615 370 HB2 GLU 44 2HB GLU 44 -20.082 5.400 3.137 371 HB3 GLU 44 3HB GLU 44 -19.519 3.829 2.582 372 HG2 GLU 44 2HG GLU 44 -17.232 4.442 3.261 373 HG3 GLU 44 3HG GLU 44 -17.856 5.969 3.887 374 H LYS 45 HN LYS 45 -21.018 6.843 1.047 375 HA LYS 45 HA LYS 45 -20.079 9.326 0.330 376 HB2 LYS 45 2HB LYS 45 -22.466 8.551 0.321 377 HB3 LYS 45 3HB LYS 45 -22.513 8.858 2.051 378 HG2 LYS 45 2HG LYS 45 -21.671 11.241 1.305 379 HG3 LYS 45 3HG LYS 45 -22.430 10.771 -0.217 380 HD2 LYS 45 2HD LYS 45 -24.348 10.049 1.558 381 HD3 LYS 45 3HD LYS 45 -23.643 11.444 2.379 382 HE2 LYS 45 2HE LYS 45 -25.474 12.166 0.980 383 HE3 LYS 45 3HE LYS 45 -23.956 12.772 0.324 384 HZ1 LYS 45 3HZ LYS 45 -24.701 11.919 -1.585 385 HZ2 LYS 45 1HZ LYS 45 -25.851 10.934 -0.828 386 HZ3 LYS 45 2HZ LYS 45 -24.246 10.418 -0.954 387 H VAL 46 HN VAL 46 -19.904 7.859 3.456 388 HA VAL 46 HA VAL 46 -19.574 10.391 4.825 389 HB VAL 46 HB VAL 46 -19.256 7.593 5.911 390 HG11 VAL 46 1HG1 VAL 46 -18.430 9.977 7.024 391 HG12 VAL 46 2HG1 VAL 46 -20.008 9.705 7.761 392 HG13 VAL 46 3HG1 VAL 46 -18.750 8.478 7.897 393 HG21 VAL 46 3HG2 VAL 46 -21.536 8.324 4.956 394 HG22 VAL 46 1HG2 VAL 46 -21.482 7.628 6.576 395 HG23 VAL 46 2HG2 VAL 46 -21.618 9.373 6.371 396 H THR 47 HN THR 47 -17.516 7.555 5.362 397 HA THR 47 HA THR 47 -15.181 9.194 4.638 398 HB THR 47 HB THR 47 -15.406 7.388 7.053 399 HG1 THR 47 1HG THR 47 -16.481 9.505 7.110 400 HG21 THR 47 3HG2 THR 47 -13.162 7.291 6.611 401 HG22 THR 47 1HG2 THR 47 -13.251 8.726 7.631 402 HG23 THR 47 2HG2 THR 47 -13.124 8.895 5.879 403 H HIS 48 HN HIS 48 -13.291 8.027 4.011 404 HA HIS 48 HA HIS 48 -13.933 5.425 2.821 405 HB2 HIS 48 2HB HIS 48 -11.579 7.244 2.266 406 HB3 HIS 48 3HB HIS 48 -12.017 5.797 1.363 407 HD1 HIS 48 1HD HIS 48 -12.707 6.680 -0.857 408 HD2 HIS 48 2HD HIS 48 -14.403 8.821 2.275 409 HE1 HIS 48 1HE HIS 48 -14.303 8.298 -1.935 410 HE2 HIS 48 2HE HIS 48 -15.380 9.524 -0.015 411 H THR 49 HN THR 49 -12.870 3.581 3.357 412 HA THR 49 HA THR 49 -10.681 3.805 5.319 413 HB THR 49 HB THR 49 -12.913 1.767 5.339 414 HG1 THR 49 1HG THR 49 -13.635 3.741 6.108 415 HG21 THR 49 3HG2 THR 49 -11.965 0.702 7.094 416 HG22 THR 49 1HG2 THR 49 -11.108 2.139 7.651 417 HG23 THR 49 2HG2 THR 49 -10.496 1.227 6.271 418 H SER 50 HN SER 50 -8.934 2.541 4.991 419 HA SER 50 HA SER 50 -9.106 0.390 3.007 420 HB2 SER 50 2HB SER 50 -6.748 2.250 2.961 421 HB3 SER 50 3HB SER 50 -7.328 1.161 1.701 422 HG SER 50 HG SER 50 -9.171 2.560 1.515 423 H ASP 51 HN ASP 51 -7.588 -1.274 3.245 424 HA ASP 51 HA ASP 51 -5.894 -1.143 5.643 425 HB2 ASP 51 2HB ASP 51 -6.551 -3.388 6.296 426 HB3 ASP 51 3HB ASP 51 -7.980 -2.364 6.182 427 H ALA 52 HN ALA 52 -4.140 -2.718 5.671 428 HA ALA 52 HA ALA 52 -3.511 -4.049 3.172 429 HB1 ALA 52 1HB ALA 52 -1.256 -2.935 3.063 430 HB2 ALA 52 2HB ALA 52 -2.632 -1.921 2.626 431 HB3 ALA 52 3HB ALA 52 -1.876 -1.747 4.210 432 H THR 53 HN THR 53 -3.036 -6.002 3.865 433 HA THR 53 HA THR 53 -1.465 -6.332 6.329 434 HB THR 53 HB THR 53 -2.827 -8.577 4.875 435 HG1 THR 53 1HG THR 53 -4.486 -7.159 5.144 436 HG21 THR 53 3HG2 THR 53 -3.145 -9.434 7.173 437 HG22 THR 53 1HG2 THR 53 -2.187 -8.078 7.767 438 HG23 THR 53 2HG2 THR 53 -1.454 -9.276 6.699 439 H LEU 54 HN LEU 54 0.661 -6.434 5.935 440 HA LEU 54 HA LEU 54 1.613 -7.685 3.474 441 HB2 LEU 54 2HB LEU 54 2.900 -5.941 5.553 442 HB3 LEU 54 3HB LEU 54 3.862 -6.816 4.378 443 HG LEU 54 HG LEU 54 2.429 -5.642 2.596 444 HD11 LEU 54 1HD1 LEU 54 1.508 -4.333 5.079 445 HD12 LEU 54 2HD1 LEU 54 1.831 -3.282 3.700 446 HD13 LEU 54 3HD1 LEU 54 0.667 -4.599 3.553 447 HD21 LEU 54 3HD2 LEU 54 3.964 -3.528 3.918 448 HD22 LEU 54 1HD2 LEU 54 4.837 -5.050 3.737 449 HD23 LEU 54 2HD2 LEU 54 4.162 -4.247 2.321 450 H HIS 55 HN HIS 55 2.988 -9.435 3.425 451 HA HIS 55 HA HIS 55 3.054 -11.029 5.889 452 HB2 HIS 55 2HB HIS 55 3.063 -11.701 2.977 453 HB3 HIS 55 3HB HIS 55 3.804 -12.829 4.108 454 HD1 HIS 55 1HD HIS 55 2.202 -14.645 4.562 455 HD2 HIS 55 2HD HIS 55 0.306 -10.957 4.289 456 HE1 HIS 55 1HE HIS 55 -0.225 -15.100 5.038 457 HE2 HIS 55 2HE HIS 55 -1.332 -12.838 4.973 458 H VAL 56 HN VAL 56 4.922 -11.655 6.828 459 HA VAL 56 HA VAL 56 7.448 -11.093 5.438 460 HB VAL 56 HB VAL 56 6.974 -10.396 8.339 461 HG11 VAL 56 1HG1 VAL 56 9.188 -10.299 8.446 462 HG12 VAL 56 2HG1 VAL 56 9.329 -10.672 6.730 463 HG13 VAL 56 3HG1 VAL 56 9.158 -8.998 7.257 464 HG21 VAL 56 3HG2 VAL 56 5.797 -8.678 7.467 465 HG22 VAL 56 1HG2 VAL 56 7.402 -8.015 7.158 466 HG23 VAL 56 2HG2 VAL 56 6.530 -8.846 5.869 467 H ASN 57 HN ASN 57 9.171 -12.440 5.980 468 HA ASN 57 HA ASN 57 8.550 -15.060 6.727 469 HB2 ASN 57 2HB ASN 57 11.152 -13.562 6.510 470 HB3 ASN 57 3HB ASN 57 11.106 -15.247 7.021 471 HD21 ASN 57 1HD2 ASN 57 11.972 -13.633 4.532 472 HD22 ASN 57 2HD2 ASN 57 11.357 -14.581 3.226 473 H GLY 58 HN GLY 58 7.713 -15.522 8.677 474 HA2 GLY 58 2HA GLY 58 8.194 -16.150 10.931 475 HA3 GLY 58 3HA GLY 58 9.334 -14.819 11.024 476 H GLY 59 HN GLY 59 7.182 -13.085 9.676 477 HA2 GLY 59 2HA GLY 59 5.195 -12.923 11.803 478 HA3 GLY 59 3HA GLY 59 6.303 -11.565 11.677 479 H GLU 60 HN GLU 60 3.578 -11.217 11.430 480 HA GLU 60 HA GLU 60 3.399 -10.344 8.638 481 HB2 GLU 60 2HB GLU 60 1.372 -11.982 10.140 482 HB3 GLU 60 3HB GLU 60 0.898 -10.954 8.795 483 HG2 GLU 60 2HG GLU 60 1.689 -12.377 7.274 484 HG3 GLU 60 3HG GLU 60 3.165 -12.682 8.188 485 H ILE 61 HN ILE 61 2.818 -8.276 8.464 486 HA ILE 61 HA ILE 61 1.801 -6.926 10.865 487 HB ILE 61 HB ILE 61 2.937 -5.632 8.389 488 HG12 ILE 61 2HG1 ILE 61 4.629 -5.540 10.750 489 HG13 ILE 61 3HG1 ILE 61 4.335 -7.197 10.234 490 HG21 ILE 61 1HG2 ILE 61 3.024 -3.642 9.636 491 HG22 ILE 61 2HG2 ILE 61 1.439 -4.332 9.979 492 HG23 ILE 61 3HG2 ILE 61 2.742 -4.487 11.159 493 HD11 ILE 61 3HD1 ILE 61 5.807 -5.019 8.877 494 HD12 ILE 61 1HD1 ILE 61 6.174 -6.740 8.996 495 HD13 ILE 61 2HD1 ILE 61 4.938 -6.177 7.871 496 H HIS 62 HN HIS 62 -0.091 -5.801 10.877 497 HA HIS 62 HA HIS 62 -1.613 -5.641 8.371 498 HB2 HIS 62 2HB HIS 62 -2.399 -7.597 9.684 499 HB3 HIS 62 3HB HIS 62 -2.758 -6.524 11.031 500 HD1 HIS 62 1HD HIS 62 -5.271 -7.021 10.981 501 HD2 HIS 62 2HD HIS 62 -3.802 -5.501 7.405 502 HE1 HIS 62 1HE HIS 62 -7.299 -6.429 9.619 503 HE2 HIS 62 2HE HIS 62 -6.386 -5.584 7.428 504 H ALA 63 HN ALA 63 -1.900 -3.530 8.008 505 HA ALA 63 HA ALA 63 -2.662 -1.831 10.297 506 HB1 ALA 63 1HB ALA 63 -0.638 -1.358 8.165 507 HB2 ALA 63 2HB ALA 63 -1.526 0.017 8.822 508 HB3 ALA 63 3HB ALA 63 -0.564 -1.001 9.891 509 H SER 64 HN SER 64 -3.998 0.025 9.768 510 HA SER 64 HA SER 64 -5.346 -0.080 7.179 511 HB2 SER 64 2HB SER 64 -6.518 -1.336 9.269 512 HB3 SER 64 3HB SER 64 -7.136 0.298 9.512 513 HG SER 64 HG SER 64 -8.184 -1.394 7.953 514 H ALA 65 HN ALA 65 -6.251 1.897 6.535 515 HA ALA 65 HA ALA 65 -5.990 4.165 8.355 516 HB1 ALA 65 1HB ALA 65 -4.480 5.365 7.134 517 HB2 ALA 65 2HB ALA 65 -3.889 3.733 6.827 518 HB3 ALA 65 3HB ALA 65 -4.883 4.552 5.624 519 H GLU 66 HN GLU 66 -6.945 6.164 7.429 520 HA GLU 66 HA GLU 66 -8.939 5.691 5.342 521 HB2 GLU 66 2HB GLU 66 -10.675 6.817 6.742 522 HB3 GLU 66 3HB GLU 66 -10.175 5.247 7.356 523 HG2 GLU 66 2HG GLU 66 -8.680 6.397 8.955 524 HG3 GLU 66 3HG GLU 66 -9.318 7.940 8.387 525 H GLY 67 HN GLY 67 -9.933 7.737 4.572 526 HA2 GLY 67 2HA GLY 67 -8.656 10.218 5.286 527 HA3 GLY 67 3HA GLY 67 -8.123 9.592 3.733 528 H GLN 68 HN GLN 68 -9.221 11.968 3.606 529 HA GLN 68 HA GLN 68 -11.985 12.214 3.474 530 HB2 GLN 68 2HB GLN 68 -10.360 14.090 3.384 531 HB3 GLN 68 3HB GLN 68 -9.958 13.627 1.735 532 HG2 GLN 68 2HG GLN 68 -11.557 14.988 1.049 533 HG3 GLN 68 3HG GLN 68 -12.725 13.867 1.744 534 HE21 GLN 68 1HE2 GLN 68 -10.414 16.115 3.215 535 HE22 GLN 68 2HE2 GLN 68 -11.587 16.995 4.130 536 H ASP 69 HN ASP 69 -9.907 10.435 1.404 537 HA ASP 69 HA ASP 69 -12.159 9.716 -0.259 538 HB2 ASP 69 2HB ASP 69 -10.880 10.140 -2.374 539 HB3 ASP 69 3HB ASP 69 -11.362 11.603 -1.522 540 H MET 70 HN MET 70 -11.339 8.041 -1.975 541 HA MET 70 HA MET 70 -10.256 5.873 -0.570 542 HB2 MET 70 2HB MET 70 -11.699 5.867 -2.698 543 HB3 MET 70 3HB MET 70 -10.189 6.101 -3.570 544 HG2 MET 70 2HG MET 70 -9.910 3.948 -1.702 545 HG3 MET 70 3HG MET 70 -11.335 3.693 -2.705 546 HE1 MET 70 3HE MET 70 -7.750 5.401 -3.755 547 HE2 MET 70 1HE MET 70 -7.613 4.225 -2.448 548 HE3 MET 70 2HE MET 70 -6.960 3.852 -4.044 549 H TYR 71 HN TYR 71 -8.772 7.865 -3.129 550 HA TYR 71 HA TYR 71 -6.255 6.662 -3.090 551 HB2 TYR 71 2HB TYR 71 -7.051 9.496 -3.775 552 HB3 TYR 71 3HB TYR 71 -5.447 8.830 -4.069 553 HD1 TYR 71 1HD TYR 71 -5.560 6.451 -5.359 554 HD2 TYR 71 2HD TYR 71 -8.480 9.536 -5.577 555 HE1 TYR 71 1HE TYR 71 -6.317 5.573 -7.527 556 HE2 TYR 71 2HE TYR 71 -9.247 8.667 -7.745 557 HH TYR 71 HH TYR 71 -7.540 6.636 -9.620 558 H ALA 72 HN ALA 72 -7.559 9.316 -1.162 559 HA ALA 72 HA ALA 72 -5.228 10.175 0.087 560 HB1 ALA 72 1HB ALA 72 -6.824 11.603 0.739 561 HB2 ALA 72 2HB ALA 72 -8.095 10.392 0.588 562 HB3 ALA 72 3HB ALA 72 -7.114 10.462 2.052 563 H ALA 73 HN ALA 73 -7.570 7.750 1.238 564 HA ALA 73 HA ALA 73 -6.296 6.991 3.571 565 HB1 ALA 73 1HB ALA 73 -7.728 5.045 1.784 566 HB2 ALA 73 2HB ALA 73 -7.619 5.039 3.545 567 HB3 ALA 73 3HB ALA 73 -8.573 6.275 2.723 568 H ILE 74 HN ILE 74 -5.615 6.040 0.261 569 HA ILE 74 HA ILE 74 -3.833 3.915 0.894 570 HB ILE 74 HB ILE 74 -3.951 5.577 -1.626 571 HG12 ILE 74 2HG1 ILE 74 -6.099 4.538 -1.193 572 HG13 ILE 74 3HG1 ILE 74 -5.299 3.688 -2.512 573 HG21 ILE 74 1HG2 ILE 74 -2.478 3.101 -0.866 574 HG22 ILE 74 2HG2 ILE 74 -3.041 3.290 -2.526 575 HG23 ILE 74 3HG2 ILE 74 -1.943 4.481 -1.824 576 HD11 ILE 74 3HD1 ILE 74 -4.526 2.354 -0.186 577 HD12 ILE 74 1HD1 ILE 74 -6.249 2.683 -0.001 578 HD13 ILE 74 2HD1 ILE 74 -5.666 1.804 -1.416 579 H ASP 75 HN ASP 75 -3.493 7.371 0.596 580 HA ASP 75 HA ASP 75 -0.665 7.443 0.358 581 HB2 ASP 75 2HB ASP 75 -2.338 9.321 -0.141 582 HB3 ASP 75 3HB ASP 75 -2.347 9.618 1.594 583 H GLY 76 HN GLY 76 -2.821 7.989 3.146 584 HA2 GLY 76 2HA GLY 76 -0.687 8.161 5.026 585 HA3 GLY 76 3HA GLY 76 -2.391 7.962 5.408 586 H LEU 77 HN LEU 77 -2.641 5.520 3.813 587 HA LEU 77 HA LEU 77 -1.950 3.649 5.832 588 HB2 LEU 77 2HB LEU 77 -3.909 3.510 4.251 589 HB3 LEU 77 3HB LEU 77 -2.780 3.064 2.990 590 HG LEU 77 HG LEU 77 -4.069 1.179 4.065 591 HD11 LEU 77 1HD1 LEU 77 -2.476 -0.025 3.140 592 HD12 LEU 77 2HD1 LEU 77 -1.357 1.331 3.250 593 HD13 LEU 77 3HD1 LEU 77 -1.479 0.178 4.578 594 HD21 LEU 77 3HD2 LEU 77 -2.694 2.226 6.429 595 HD22 LEU 77 1HD2 LEU 77 -4.143 1.236 6.298 596 HD23 LEU 77 2HD2 LEU 77 -2.551 0.484 6.218 597 H ILE 78 HN ILE 78 -0.616 4.420 2.655 598 HA ILE 78 HA ILE 78 1.406 2.369 2.824 599 HB ILE 78 HB ILE 78 1.072 4.656 0.875 600 HG12 ILE 78 2HG1 ILE 78 -0.696 2.926 0.801 601 HG13 ILE 78 3HG1 ILE 78 0.286 2.932 -0.662 602 HG21 ILE 78 1HG2 ILE 78 2.639 2.812 -0.381 603 HG22 ILE 78 2HG2 ILE 78 3.233 4.273 0.409 604 HG23 ILE 78 3HG2 ILE 78 3.248 2.735 1.271 605 HD11 ILE 78 3HD1 ILE 78 1.392 1.124 1.268 606 HD12 ILE 78 1HD1 ILE 78 -0.311 0.762 0.985 607 HD13 ILE 78 2HD1 ILE 78 0.817 0.806 -0.370 608 H ASP 79 HN ASP 79 1.050 5.522 4.034 609 HA ASP 79 HA ASP 79 3.835 6.235 4.005 610 HB2 ASP 79 2HB ASP 79 1.857 7.859 4.066 611 HB3 ASP 79 3HB ASP 79 1.709 7.447 5.771 612 H LYS 80 HN LYS 80 1.528 5.371 6.586 613 HA LYS 80 HA LYS 80 3.514 5.121 8.588 614 HB2 LYS 80 2HB LYS 80 1.777 4.148 9.960 615 HB3 LYS 80 3HB LYS 80 1.115 5.509 9.067 616 HG2 LYS 80 2HG LYS 80 0.275 3.798 7.386 617 HG3 LYS 80 3HG LYS 80 0.669 2.580 8.601 618 HD2 LYS 80 2HD LYS 80 -1.658 3.161 8.808 619 HD3 LYS 80 3HD LYS 80 -0.786 3.786 10.209 620 HE2 LYS 80 2HE LYS 80 -0.687 5.826 8.299 621 HE3 LYS 80 3HE LYS 80 -2.333 5.198 8.229 622 HZ1 LYS 80 3HZ LYS 80 -2.526 5.527 10.613 623 HZ2 LYS 80 1HZ LYS 80 -2.129 6.982 9.844 624 HZ3 LYS 80 2HZ LYS 80 -0.943 6.118 10.687 625 H LEU 81 HN LEU 81 2.146 2.897 6.251 626 HA LEU 81 HA LEU 81 3.060 0.494 7.402 627 HB2 LEU 81 2HB LEU 81 2.216 1.339 4.669 628 HB3 LEU 81 3HB LEU 81 3.026 -0.204 4.854 629 HG LEU 81 HG LEU 81 0.415 -0.058 4.893 630 HD11 LEU 81 1HD1 LEU 81 0.449 -2.166 5.684 631 HD12 LEU 81 2HD1 LEU 81 2.194 -1.946 5.565 632 HD13 LEU 81 3HD1 LEU 81 1.383 -1.730 7.116 633 HD21 LEU 81 3HD2 LEU 81 0.677 1.635 6.884 634 HD22 LEU 81 1HD2 LEU 81 -0.634 0.459 6.864 635 HD23 LEU 81 2HD2 LEU 81 0.804 0.158 7.838 636 H ALA 82 HN ALA 82 4.514 2.609 4.932 637 HA ALA 82 HA ALA 82 6.815 1.096 4.458 638 HB1 ALA 82 1HB ALA 82 7.576 2.870 3.240 639 HB2 ALA 82 2HB ALA 82 5.868 3.296 3.340 640 HB3 ALA 82 3HB ALA 82 7.032 4.060 4.422 641 H ARG 83 HN ARG 83 6.438 3.893 6.640 642 HA ARG 83 HA ARG 83 8.960 3.887 7.769 643 HB2 ARG 83 2HB ARG 83 6.284 4.653 8.925 644 HB3 ARG 83 3HB ARG 83 7.790 4.889 9.803 645 HG2 ARG 83 2HG ARG 83 8.373 6.041 7.409 646 HG3 ARG 83 3HG ARG 83 6.652 6.398 7.570 647 HD2 ARG 83 2HD ARG 83 7.093 7.319 9.821 648 HD3 ARG 83 3HD ARG 83 8.815 7.030 9.576 649 HE ARG 83 HE ARG 83 7.796 8.592 7.460 650 HH11 ARG 83 2HH1 ARG 83 8.598 8.813 10.849 651 HH12 ARG 83 1HH1 ARG 83 8.937 10.509 10.786 652 HH21 ARG 83 2HH2 ARG 83 8.243 10.823 7.375 653 HH22 ARG 83 1HH2 ARG 83 8.736 11.651 8.813 654 H GLN 84 HN GLN 84 6.206 1.841 8.513 655 HA GLN 84 HA GLN 84 7.345 0.727 10.894 656 HB2 GLN 84 2HB GLN 84 5.028 -0.088 9.142 657 HB3 GLN 84 3HB GLN 84 5.511 -1.007 10.562 658 HG2 GLN 84 2HG GLN 84 5.245 1.763 11.240 659 HG3 GLN 84 3HG GLN 84 3.783 1.194 10.437 660 HE21 GLN 84 1HE2 GLN 84 3.562 -1.357 11.262 661 HE22 GLN 84 2HE2 GLN 84 3.359 -1.430 12.977 662 H LEU 85 HN LEU 85 7.002 -0.349 7.540 663 HA LEU 85 HA LEU 85 8.156 -2.883 7.831 664 HB2 LEU 85 2HB LEU 85 7.762 -1.010 5.544 665 HB3 LEU 85 3HB LEU 85 8.817 -2.391 5.317 666 HG LEU 85 HG LEU 85 6.263 -2.512 4.694 667 HD11 LEU 85 1HD1 LEU 85 8.172 -4.498 5.710 668 HD12 LEU 85 2HD1 LEU 85 6.487 -5.015 5.689 669 HD13 LEU 85 3HD1 LEU 85 7.258 -4.462 4.203 670 HD21 LEU 85 3HD2 LEU 85 5.738 -1.896 7.167 671 HD22 LEU 85 1HD2 LEU 85 4.778 -3.128 6.350 672 HD23 LEU 85 2HD2 LEU 85 6.057 -3.603 7.467 673 H THR 86 HN THR 86 9.613 0.264 7.176 674 HA THR 86 HA THR 86 12.243 -0.675 6.743 675 HB THR 86 HB THR 86 12.679 1.834 7.612 676 HG1 THR 86 1HG THR 86 10.393 1.965 8.187 677 HG21 THR 86 3HG2 THR 86 12.826 0.773 5.233 678 HG22 THR 86 1HG2 THR 86 12.750 2.524 5.437 679 HG23 THR 86 2HG2 THR 86 11.301 1.623 4.988 680 H LYS 87 HN LYS 87 10.525 0.425 9.619 681 HA LYS 87 HA LYS 87 12.667 0.525 11.397 682 HB2 LYS 87 2HB LYS 87 9.949 0.938 11.549 683 HB3 LYS 87 3HB LYS 87 10.185 -0.461 12.589 684 HG2 LYS 87 2HG LYS 87 10.825 0.898 14.210 685 HG3 LYS 87 3HG LYS 87 12.227 1.355 13.241 686 HD2 LYS 87 2HD LYS 87 9.510 2.655 13.054 687 HD3 LYS 87 3HD LYS 87 10.865 3.292 13.989 688 HE2 LYS 87 2HE LYS 87 11.255 2.662 11.100 689 HE3 LYS 87 3HE LYS 87 10.403 4.138 11.550 690 HZ1 LYS 87 3HZ LYS 87 12.943 4.201 11.237 691 HZ2 LYS 87 1HZ LYS 87 13.003 3.500 12.776 692 HZ3 LYS 87 2HZ LYS 87 12.267 5.007 12.561 693 H HIS 88 HN HIS 88 10.381 -2.183 10.896 694 HA HIS 88 HA HIS 88 11.854 -3.924 12.602 695 HB2 HIS 88 2HB HIS 88 10.213 -5.512 12.199 696 HB3 HIS 88 3HB HIS 88 9.343 -4.008 11.929 697 HD1 HIS 88 1HD HIS 88 8.063 -3.901 9.808 698 HD2 HIS 88 2HD HIS 88 11.129 -6.701 9.630 699 HE1 HIS 88 1HE HIS 88 7.797 -5.051 7.587 700 HE2 HIS 88 2HE HIS 88 9.611 -6.798 7.539 701 H LYS 89 HN LYS 89 11.667 -3.561 9.076 702 HA LYS 89 HA LYS 89 13.241 -5.804 8.446 703 HB2 LYS 89 2HB LYS 89 13.335 -4.976 6.243 704 HB3 LYS 89 3HB LYS 89 11.786 -4.439 6.874 705 HG2 LYS 89 2HG LYS 89 12.483 -2.521 5.879 706 HG3 LYS 89 3HG LYS 89 13.178 -2.282 7.483 707 HD2 LYS 89 2HD LYS 89 15.164 -3.665 6.254 708 HD3 LYS 89 3HD LYS 89 14.497 -2.756 4.897 709 HE2 LYS 89 2HE LYS 89 14.661 -0.703 6.376 710 HE3 LYS 89 3HE LYS 89 15.624 -1.690 7.475 711 HZ1 LYS 89 3HZ LYS 89 16.673 -0.250 5.513 712 HZ2 LYS 89 1HZ LYS 89 16.443 -1.708 4.685 713 HZ3 LYS 89 2HZ LYS 89 17.383 -1.672 6.091 714 H ASP 90 HN ASP 90 14.121 -2.801 9.823 715 HA ASP 90 HA ASP 90 16.774 -2.618 8.822 716 HB2 ASP 90 2HB ASP 90 15.176 -0.946 10.244 717 HB3 ASP 90 3HB ASP 90 16.241 -1.531 11.518 718 H LYS 91 HN LYS 91 15.388 -3.987 11.783 719 HA LYS 91 HA LYS 91 17.772 -4.713 13.037 720 HB2 LYS 91 2HB LYS 91 16.473 -6.122 14.443 721 HB3 LYS 91 3HB LYS 91 15.462 -4.740 14.047 722 HG2 LYS 91 2HG LYS 91 14.831 -6.547 12.074 723 HG3 LYS 91 3HG LYS 91 15.065 -7.566 13.496 724 HD2 LYS 91 2HD LYS 91 13.500 -6.146 14.753 725 HD3 LYS 91 3HD LYS 91 13.245 -5.166 13.306 726 HE2 LYS 91 2HE LYS 91 11.988 -6.764 12.278 727 HE3 LYS 91 3HE LYS 91 12.836 -8.093 13.066 728 HZ1 LYS 91 3HZ LYS 91 11.634 -6.963 15.151 729 HZ2 LYS 91 1HZ LYS 91 10.939 -8.210 14.241 730 HZ3 LYS 91 2HZ LYS 91 10.506 -6.601 13.945 731 H LEU 92 HN LEU 92 16.215 -6.076 10.287 732 HA LEU 92 HA LEU 92 17.753 -8.555 10.483 733 HB2 LEU 92 2HB LEU 92 15.571 -7.651 8.612 734 HB3 LEU 92 3HB LEU 92 16.463 -9.143 8.385 735 HG LEU 92 HG LEU 92 15.609 -9.354 10.995 736 HD11 LEU 92 1HD1 LEU 92 13.458 -8.587 11.252 737 HD12 LEU 92 2HD1 LEU 92 14.184 -7.269 10.332 738 HD13 LEU 92 3HD1 LEU 92 13.178 -8.466 9.515 739 HD21 LEU 92 3HD2 LEU 92 14.813 -10.466 8.374 740 HD22 LEU 92 1HD2 LEU 92 15.375 -11.283 9.834 741 HD23 LEU 92 2HD2 LEU 92 13.704 -10.732 9.719 742 H LYS 93 HN LYS 93 19.184 -6.123 10.074 743 HA LYS 93 HA LYS 93 20.099 -6.429 7.293 744 HB2 LYS 93 2HB LYS 93 19.270 -4.145 8.439 745 HB3 LYS 93 3HB LYS 93 20.967 -4.085 8.895 746 HG2 LYS 93 2HG LYS 93 21.578 -3.474 6.851 747 HG3 LYS 93 3HG LYS 93 20.655 -4.780 6.108 748 HD2 LYS 93 2HD LYS 93 18.744 -3.478 5.899 749 HD3 LYS 93 3HD LYS 93 19.260 -2.345 7.150 750 HE2 LYS 93 2HE LYS 93 19.461 -1.243 5.043 751 HE3 LYS 93 3HE LYS 93 21.088 -1.608 5.616 752 HZ1 LYS 93 3HZ LYS 93 20.244 -2.159 3.162 753 HZ2 LYS 93 1HZ LYS 93 19.854 -3.620 3.924 754 HZ3 LYS 93 2HZ LYS 93 21.447 -3.054 3.947 755 H GLN 94 HN GLN 94 21.063 -6.422 10.651 756 HA GLN 94 HA GLN 94 23.760 -7.279 9.827 757 HB2 GLN 94 2HB GLN 94 24.600 -6.317 11.944 758 HB3 GLN 94 3HB GLN 94 23.897 -5.102 10.885 759 HG2 GLN 94 2HG GLN 94 22.749 -4.425 12.657 760 HG3 GLN 94 3HG GLN 94 21.767 -5.872 12.439 761 HE21 GLN 94 1HE2 GLN 94 21.321 -6.130 14.598 762 HE22 GLN 94 2HE2 GLN 94 22.512 -6.606 15.756 763 H HIS 95 HN HIS 95 24.531 -9.139 10.670 764 HA HIS 95 HA HIS 95 22.680 -10.782 12.178 765 HB2 HIS 95 2HB HIS 95 24.361 -12.575 11.808 766 HB3 HIS 95 3HB HIS 95 23.835 -11.812 10.312 767 HD1 HIS 95 1HD HIS 95 25.666 -11.174 8.782 768 HD2 HIS 95 2HD HIS 95 26.956 -11.396 12.725 769 HE1 HIS 95 1HE HIS 95 28.143 -10.746 8.705 770 HE2 HIS 95 2HE HIS 95 28.915 -10.969 11.092 Start of MODEL 6 1 H1 MET 1 1H MET 1 -0.022 -13.689 -6.527 2 H2 MET 1 2H MET 1 1.009 -14.256 -5.278 3 H3 MET 1 3H MET 1 0.444 -15.338 -6.485 4 HA MET 1 HA MET 1 2.579 -14.900 -7.104 5 HB2 MET 1 2HB MET 1 0.573 -13.156 -8.514 6 HB3 MET 1 3HB MET 1 2.234 -13.273 -9.080 7 HG2 MET 1 2HG MET 1 1.905 -15.275 -9.997 8 HG3 MET 1 3HG MET 1 0.998 -15.867 -8.605 9 HE1 MET 1 2HE MET 1 -2.578 -14.566 -9.278 10 HE2 MET 1 3HE MET 1 -1.357 -14.924 -8.056 11 HE3 MET 1 1HE MET 1 -1.433 -13.318 -8.781 12 H GLN 2 HN GLN 2 0.955 -12.024 -5.926 13 HA GLN 2 HA GLN 2 3.358 -10.993 -4.817 14 HB2 GLN 2 2HB GLN 2 2.971 -8.748 -6.216 15 HB3 GLN 2 3HB GLN 2 4.072 -10.011 -6.743 16 HG2 GLN 2 2HG GLN 2 2.839 -10.513 -8.536 17 HG3 GLN 2 3HG GLN 2 1.319 -10.372 -7.655 18 HE21 GLN 2 1HE2 GLN 2 3.966 -8.253 -8.713 19 HE22 GLN 2 2HE2 GLN 2 2.946 -6.994 -9.310 20 H LEU 3 HN LEU 3 0.780 -8.963 -6.129 21 HA LEU 3 HA LEU 3 -0.256 -8.635 -3.390 22 HB2 LEU 3 2HB LEU 3 -0.624 -6.297 -3.809 23 HB3 LEU 3 3HB LEU 3 1.057 -6.682 -4.117 24 HG LEU 3 HG LEU 3 -0.457 -6.909 -6.555 25 HD11 LEU 3 1HD1 LEU 3 -1.050 -4.589 -4.836 26 HD12 LEU 3 2HD1 LEU 3 -0.645 -4.230 -6.516 27 HD13 LEU 3 3HD1 LEU 3 -1.989 -5.308 -6.144 28 HD21 LEU 3 3HD2 LEU 3 1.219 -4.885 -6.990 29 HD22 LEU 3 1HD2 LEU 3 1.952 -5.532 -5.523 30 HD23 LEU 3 2HD2 LEU 3 1.753 -6.564 -6.940 31 H ASN 4 HN ASN 4 -2.446 -8.526 -3.118 32 HA ASN 4 HA ASN 4 -4.090 -8.880 -5.539 33 HB2 ASN 4 2HB ASN 4 -3.761 -10.921 -3.986 34 HB3 ASN 4 3HB ASN 4 -4.816 -10.062 -2.867 35 HD21 ASN 4 1HD2 ASN 4 -6.782 -10.847 -2.953 36 HD22 ASN 4 2HD2 ASN 4 -7.632 -11.323 -4.378 37 H ILE 5 HN ILE 5 -5.696 -7.462 -5.799 38 HA ILE 5 HA ILE 5 -6.289 -5.634 -3.580 39 HB ILE 5 HB ILE 5 -7.048 -5.284 -6.478 40 HG12 ILE 5 2HG1 ILE 5 -4.629 -4.228 -4.995 41 HG13 ILE 5 3HG1 ILE 5 -4.611 -5.420 -6.293 42 HG21 ILE 5 1HG2 ILE 5 -7.128 -2.865 -5.737 43 HG22 ILE 5 2HG2 ILE 5 -8.397 -3.916 -5.111 44 HG23 ILE 5 3HG2 ILE 5 -7.035 -3.468 -4.083 45 HD11 ILE 5 3HD1 ILE 5 -5.445 -3.752 -7.852 46 HD12 ILE 5 1HD1 ILE 5 -5.500 -2.557 -6.555 47 HD13 ILE 5 2HD1 ILE 5 -3.951 -3.215 -7.082 48 H THR 6 HN THR 6 -8.297 -5.391 -2.746 49 HA THR 6 HA THR 6 -10.612 -6.548 -4.044 50 HB THR 6 HB THR 6 -10.022 -7.396 -1.218 51 HG1 THR 6 1HG THR 6 -9.441 -8.923 -3.533 52 HG21 THR 6 3HG2 THR 6 -12.090 -7.981 -3.194 53 HG22 THR 6 1HG2 THR 6 -12.119 -8.120 -1.436 54 HG23 THR 6 2HG2 THR 6 -11.407 -9.406 -2.409 55 H GLY 7 HN GLY 7 -12.122 -4.990 -3.874 56 HA2 GLY 7 2HA GLY 7 -12.120 -3.374 -1.397 57 HA3 GLY 7 3HA GLY 7 -12.422 -2.680 -2.981 58 H ASN 8 HN ASN 8 -13.967 -3.041 -0.355 59 HA ASN 8 HA ASN 8 -16.313 -4.508 -1.219 60 HB2 ASN 8 2HB ASN 8 -17.220 -3.469 1.015 61 HB3 ASN 8 3HB ASN 8 -16.047 -4.778 1.072 62 HD21 ASN 8 1HD2 ASN 8 -15.823 -3.825 3.271 63 HD22 ASN 8 2HD2 ASN 8 -14.661 -2.563 3.477 64 H ASN 9 HN ASN 9 -17.592 -3.575 -2.677 65 HA ASN 9 HA ASN 9 -19.033 -2.078 -3.623 66 HB2 ASN 9 2HB ASN 9 -19.518 -1.541 -1.136 67 HB3 ASN 9 3HB ASN 9 -18.501 -0.127 -1.393 68 HD21 ASN 9 1HD2 ASN 9 -19.271 1.575 -2.548 69 HD22 ASN 9 2HD2 ASN 9 -20.894 1.683 -3.127 70 H VAL 10 HN VAL 10 -16.446 -2.197 -4.485 71 HA VAL 10 HA VAL 10 -16.084 0.474 -5.559 72 HB VAL 10 HB VAL 10 -13.735 -0.902 -4.258 73 HG11 VAL 10 1HG1 VAL 10 -13.065 1.695 -4.471 74 HG12 VAL 10 2HG1 VAL 10 -12.718 0.493 -5.713 75 HG13 VAL 10 3HG1 VAL 10 -14.130 1.537 -5.866 76 HG21 VAL 10 3HG2 VAL 10 -15.491 1.303 -3.194 77 HG22 VAL 10 1HG2 VAL 10 -15.192 -0.277 -2.472 78 HG23 VAL 10 2HG2 VAL 10 -13.896 0.918 -2.547 79 H GLU 11 HN GLU 11 -15.358 0.431 -7.622 80 HA GLU 11 HA GLU 11 -14.873 -2.191 -8.796 81 HB2 GLU 11 2HB GLU 11 -16.300 -0.005 -9.661 82 HB3 GLU 11 3HB GLU 11 -14.814 0.126 -10.591 83 HG2 GLU 11 2HG GLU 11 -15.401 -1.540 -11.931 84 HG3 GLU 11 3HG GLU 11 -15.818 -2.582 -10.572 85 H ILE 12 HN ILE 12 -12.919 -2.914 -9.321 86 HA ILE 12 HA ILE 12 -10.602 -1.267 -8.869 87 HB ILE 12 HB ILE 12 -10.745 -4.082 -9.957 88 HG12 ILE 12 2HG1 ILE 12 -11.776 -3.797 -7.699 89 HG13 ILE 12 3HG1 ILE 12 -10.360 -4.842 -7.699 90 HG21 ILE 12 1HG2 ILE 12 -8.373 -4.045 -8.847 91 HG22 ILE 12 2HG2 ILE 12 -8.609 -3.415 -10.476 92 HG23 ILE 12 3HG2 ILE 12 -8.506 -2.306 -9.109 93 HD11 ILE 12 3HD1 ILE 12 -10.513 -1.988 -6.766 94 HD12 ILE 12 1HD1 ILE 12 -10.262 -3.430 -5.783 95 HD13 ILE 12 2HD1 ILE 12 -9.015 -2.905 -6.913 96 H THR 13 HN THR 13 -10.394 0.297 -10.403 97 HA THR 13 HA THR 13 -10.415 -0.520 -13.224 98 HB THR 13 HB THR 13 -10.443 1.972 -13.649 99 HG1 THR 13 1HG THR 13 -11.052 2.116 -10.887 100 HG21 THR 13 3HG2 THR 13 -12.758 2.300 -13.181 101 HG22 THR 13 1HG2 THR 13 -12.742 1.031 -11.957 102 HG23 THR 13 2HG2 THR 13 -12.519 0.619 -13.658 103 H GLU 14 HN GLU 14 -8.727 0.176 -14.629 104 HA GLU 14 HA GLU 14 -6.215 -0.451 -14.104 105 HB2 GLU 14 2HB GLU 14 -5.493 1.332 -15.777 106 HB3 GLU 14 3HB GLU 14 -6.703 0.176 -16.311 107 HG2 GLU 14 2HG GLU 14 -8.406 1.966 -15.565 108 HG3 GLU 14 3HG GLU 14 -7.029 3.064 -15.627 109 H ALA 15 HN ALA 15 -7.340 2.919 -13.633 110 HA ALA 15 HA ALA 15 -4.942 3.882 -12.558 111 HB1 ALA 15 1HB ALA 15 -6.483 5.492 -13.285 112 HB2 ALA 15 2HB ALA 15 -7.789 4.804 -12.319 113 HB3 ALA 15 3HB ALA 15 -6.462 5.655 -11.528 114 H LEU 16 HN LEU 16 -7.853 2.650 -10.927 115 HA LEU 16 HA LEU 16 -7.024 3.030 -8.295 116 HB2 LEU 16 2HB LEU 16 -9.242 1.993 -9.519 117 HB3 LEU 16 3HB LEU 16 -8.550 0.567 -8.770 118 HG LEU 16 HG LEU 16 -10.157 1.498 -7.264 119 HD11 LEU 16 1HD1 LEU 16 -7.831 0.721 -6.446 120 HD12 LEU 16 2HD1 LEU 16 -7.562 2.430 -6.107 121 HD13 LEU 16 3HD1 LEU 16 -8.892 1.575 -5.327 122 HD21 LEU 16 3HD2 LEU 16 -10.424 3.699 -6.768 123 HD22 LEU 16 1HD2 LEU 16 -8.707 4.061 -6.937 124 HD23 LEU 16 2HD2 LEU 16 -9.713 3.873 -8.373 125 H ARG 17 HN ARG 17 -6.788 0.067 -10.256 126 HA ARG 17 HA ARG 17 -5.321 -1.418 -8.377 127 HB2 ARG 17 2HB ARG 17 -4.786 -2.925 -10.221 128 HB3 ARG 17 3HB ARG 17 -6.477 -2.450 -10.280 129 HG2 ARG 17 2HG ARG 17 -6.039 -0.910 -12.071 130 HG3 ARG 17 3HG ARG 17 -4.304 -1.206 -11.949 131 HD2 ARG 17 2HD ARG 17 -4.555 -2.807 -13.469 132 HD3 ARG 17 3HD ARG 17 -5.438 -3.731 -12.254 133 HE ARG 17 HE ARG 17 -7.295 -2.046 -13.360 134 HH11 ARG 17 2HH1 ARG 17 -5.134 -4.505 -14.567 135 HH12 ARG 17 1HH1 ARG 17 -6.174 -4.954 -15.876 136 HH21 ARG 17 2HH2 ARG 17 -8.666 -2.635 -15.081 137 HH22 ARG 17 1HH2 ARG 17 -8.179 -3.892 -16.169 138 H GLU 18 HN GLU 18 -4.281 0.649 -11.051 139 HA GLU 18 HA GLU 18 -1.531 0.118 -10.886 140 HB2 GLU 18 2HB GLU 18 -3.190 2.326 -12.014 141 HB3 GLU 18 3HB GLU 18 -1.457 2.583 -11.852 142 HG2 GLU 18 2HG GLU 18 -2.505 0.130 -13.199 143 HG3 GLU 18 3HG GLU 18 -2.405 1.661 -14.066 144 H PHE 19 HN PHE 19 -3.365 2.880 -9.553 145 HA PHE 19 HA PHE 19 -1.392 4.231 -8.261 146 HB2 PHE 19 2HB PHE 19 -3.825 4.847 -8.373 147 HB3 PHE 19 3HB PHE 19 -4.110 3.724 -7.050 148 HD1 PHE 19 2HD PHE 19 -1.834 6.562 -7.881 149 HD2 PHE 19 1HD PHE 19 -4.197 4.599 -4.937 150 HE1 PHE 19 2HE PHE 19 -1.289 8.337 -6.266 151 HE2 PHE 19 1HE PHE 19 -3.657 6.371 -3.316 152 HZ PHE 19 HZ PHE 19 -2.200 8.241 -3.980 153 H VAL 20 HN VAL 20 -3.292 1.584 -6.796 154 HA VAL 20 HA VAL 20 -1.891 1.527 -4.364 155 HB VAL 20 HB VAL 20 -3.180 -0.878 -5.645 156 HG11 VAL 20 1HG1 VAL 20 -1.857 -1.213 -3.574 157 HG12 VAL 20 2HG1 VAL 20 -2.933 -0.086 -2.748 158 HG13 VAL 20 3HG1 VAL 20 -3.565 -1.603 -3.386 159 HG21 VAL 20 3HG2 VAL 20 -5.179 0.086 -5.549 160 HG22 VAL 20 1HG2 VAL 20 -4.941 0.472 -3.844 161 HG23 VAL 20 2HG2 VAL 20 -4.409 1.604 -5.088 162 H THR 21 HN THR 21 -1.529 -0.565 -7.232 163 HA THR 21 HA THR 21 0.642 -2.053 -6.276 164 HB THR 21 HB THR 21 0.020 -1.347 -9.150 165 HG1 THR 21 1HG THR 21 -1.198 -3.256 -9.113 166 HG21 THR 21 3HG2 THR 21 1.892 -2.497 -9.542 167 HG22 THR 21 1HG2 THR 21 0.900 -3.906 -9.168 168 HG23 THR 21 2HG2 THR 21 1.927 -3.195 -7.923 169 H ALA 22 HN ALA 22 0.483 1.097 -7.770 170 HA ALA 22 HA ALA 22 3.150 1.407 -8.548 171 HB1 ALA 22 1HB ALA 22 1.936 3.131 -9.367 172 HB2 ALA 22 2HB ALA 22 0.900 3.224 -7.943 173 HB3 ALA 22 3HB ALA 22 2.517 3.927 -7.903 174 H LYS 23 HN LYS 23 1.565 2.158 -5.460 175 HA LYS 23 HA LYS 23 3.886 3.180 -4.200 176 HB2 LYS 23 2HB LYS 23 1.551 1.899 -2.787 177 HB3 LYS 23 3HB LYS 23 2.630 3.147 -2.179 178 HG2 LYS 23 2HG LYS 23 0.568 3.446 -4.350 179 HG3 LYS 23 3HG LYS 23 0.506 4.123 -2.722 180 HD2 LYS 23 2HD LYS 23 2.270 5.626 -3.173 181 HD3 LYS 23 3HD LYS 23 2.719 4.775 -4.652 182 HE2 LYS 23 2HE LYS 23 1.218 5.892 -5.876 183 HE3 LYS 23 3HE LYS 23 -0.044 5.701 -4.660 184 HZ1 LYS 23 3HZ LYS 23 2.076 7.573 -4.003 185 HZ2 LYS 23 1HZ LYS 23 0.406 7.694 -3.753 186 HZ3 LYS 23 2HZ LYS 23 1.061 8.037 -5.274 187 H PHE 24 HN PHE 24 2.236 0.037 -3.851 188 HA PHE 24 HA PHE 24 4.007 -1.200 -2.139 189 HB2 PHE 24 2HB PHE 24 2.038 -2.108 -4.140 190 HB3 PHE 24 3HB PHE 24 3.286 -3.285 -3.740 191 HD1 PHE 24 2HD PHE 24 3.524 -4.097 -1.428 192 HD2 PHE 24 1HD PHE 24 0.330 -1.536 -2.589 193 HE1 PHE 24 2HE PHE 24 2.298 -4.704 0.618 194 HE2 PHE 24 1HE PHE 24 -0.900 -2.137 -0.546 195 HZ PHE 24 HZ PHE 24 0.084 -3.725 1.060 196 H ALA 25 HN ALA 25 4.136 -1.108 -5.692 197 HA ALA 25 HA ALA 25 6.363 -2.686 -6.118 198 HB1 ALA 25 1HB ALA 25 6.451 -1.806 -8.253 199 HB2 ALA 25 2HB ALA 25 4.783 -1.470 -7.792 200 HB3 ALA 25 3HB ALA 25 5.993 -0.189 -7.720 201 H LYS 26 HN LYS 26 6.301 0.852 -5.641 202 HA LYS 26 HA LYS 26 9.031 1.317 -5.728 203 HB2 LYS 26 2HB LYS 26 6.803 2.847 -5.278 204 HB3 LYS 26 3HB LYS 26 7.600 2.904 -3.711 205 HG2 LYS 26 2HG LYS 26 9.475 3.325 -5.870 206 HG3 LYS 26 3HG LYS 26 8.145 4.484 -5.921 207 HD2 LYS 26 2HD LYS 26 9.377 5.632 -4.432 208 HD3 LYS 26 3HD LYS 26 8.743 4.467 -3.266 209 HE2 LYS 26 2HE LYS 26 10.806 3.759 -2.853 210 HE3 LYS 26 3HE LYS 26 10.986 3.286 -4.541 211 HZ1 LYS 26 3HZ LYS 26 12.716 4.825 -3.873 212 HZ2 LYS 26 1HZ LYS 26 11.562 5.979 -3.426 213 HZ3 LYS 26 2HZ LYS 26 11.727 5.532 -5.049 214 H LEU 27 HN LEU 27 7.089 -0.075 -3.199 215 HA LEU 27 HA LEU 27 9.130 0.183 -1.174 216 HB2 LEU 27 2HB LEU 27 6.426 -1.088 -1.320 217 HB3 LEU 27 3HB LEU 27 7.517 -1.535 -0.022 218 HG LEU 27 HG LEU 27 7.675 0.979 0.473 219 HD11 LEU 27 1HD1 LEU 27 5.933 2.386 -0.291 220 HD12 LEU 27 2HD1 LEU 27 6.600 1.597 -1.721 221 HD13 LEU 27 3HD1 LEU 27 5.073 1.038 -1.035 222 HD21 LEU 27 3HD2 LEU 27 6.122 0.702 2.099 223 HD22 LEU 27 1HD2 LEU 27 4.902 0.089 0.984 224 HD23 LEU 27 2HD2 LEU 27 6.196 -0.970 1.544 225 H GLU 28 HN GLU 28 8.096 -2.165 -3.520 226 HA GLU 28 HA GLU 28 9.311 -4.464 -2.467 227 HB2 GLU 28 2HB GLU 28 7.733 -3.951 -4.609 228 HB3 GLU 28 3HB GLU 28 9.281 -4.189 -5.406 229 HG2 GLU 28 2HG GLU 28 9.498 -6.377 -4.374 230 HG3 GLU 28 3HG GLU 28 7.972 -6.138 -3.522 231 H GLN 29 HN GLN 29 10.735 -1.650 -3.749 232 HA GLN 29 HA GLN 29 13.063 -2.804 -4.901 233 HB2 GLN 29 2HB GLN 29 12.209 -0.489 -5.358 234 HB3 GLN 29 3HB GLN 29 12.758 -0.027 -3.753 235 HG2 GLN 29 2HG GLN 29 14.801 -1.335 -5.386 236 HG3 GLN 29 3HG GLN 29 14.214 0.194 -6.039 237 HE21 GLN 29 1HE2 GLN 29 15.431 1.833 -5.471 238 HE22 GLN 29 2HE2 GLN 29 16.239 2.035 -3.957 239 H TYR 30 HN TYR 30 12.632 -1.025 -1.837 240 HA TYR 30 HA TYR 30 15.146 -2.095 -0.863 241 HB2 TYR 30 2HB TYR 30 14.462 -0.702 1.222 242 HB3 TYR 30 3HB TYR 30 14.964 0.129 -0.244 243 HD1 TYR 30 1HD TYR 30 11.803 -1.215 1.242 244 HD2 TYR 30 2HD TYR 30 13.710 1.959 -0.849 245 HE1 TYR 30 1HE TYR 30 9.695 0.049 1.254 246 HE2 TYR 30 2HE TYR 30 11.608 3.234 -0.844 247 HH TYR 30 HH TYR 30 8.914 2.343 -0.641 248 H PHE 31 HN PHE 31 12.169 -3.389 -1.024 249 HA PHE 31 HA PHE 31 12.454 -4.757 1.571 250 HB2 PHE 31 2HB PHE 31 9.978 -4.135 -0.039 251 HB3 PHE 31 3HB PHE 31 9.986 -5.318 1.260 252 HD1 PHE 31 1HD PHE 31 12.090 -3.469 2.845 253 HD2 PHE 31 2HD PHE 31 8.222 -2.919 1.159 254 HE1 PHE 31 1HE PHE 31 11.641 -1.681 4.469 255 HE2 PHE 31 2HE PHE 31 7.767 -1.127 2.780 256 HZ PHE 31 HZ PHE 31 9.479 -0.505 4.440 257 H ASP 32 HN ASP 32 13.173 -6.763 1.406 258 HA ASP 32 HA ASP 32 12.679 -8.236 -1.093 259 HB2 ASP 32 2HB ASP 32 14.963 -8.144 0.805 260 HB3 ASP 32 3HB ASP 32 14.612 -9.696 0.048 261 H ARG 33 HN ARG 33 11.344 -7.999 1.848 262 HA ARG 33 HA ARG 33 10.893 -10.896 2.108 263 HB2 ARG 33 2HB ARG 33 10.400 -8.810 4.231 264 HB3 ARG 33 3HB ARG 33 10.415 -10.557 4.429 265 HG2 ARG 33 2HG ARG 33 12.458 -9.955 5.293 266 HG3 ARG 33 3HG ARG 33 12.874 -10.374 3.631 267 HD2 ARG 33 2HD ARG 33 13.258 -8.199 3.031 268 HD3 ARG 33 3HD ARG 33 12.135 -7.557 4.230 269 HE ARG 33 HE ARG 33 14.916 -7.889 4.551 270 HH11 ARG 33 2HH1 ARG 33 11.920 -8.286 6.298 271 HH12 ARG 33 1HH1 ARG 33 12.647 -8.039 7.850 272 HH21 ARG 33 2HH2 ARG 33 15.874 -7.565 6.593 273 HH22 ARG 33 1HH2 ARG 33 14.893 -7.629 8.018 274 H ILE 34 HN ILE 34 9.403 -10.192 0.189 275 HA ILE 34 HA ILE 34 6.739 -9.686 1.336 276 HB ILE 34 HB ILE 34 7.638 -8.726 -1.383 277 HG12 ILE 34 2HG1 ILE 34 6.915 -6.739 0.666 278 HG13 ILE 34 3HG1 ILE 34 8.401 -7.621 1.003 279 HG21 ILE 34 1HG2 ILE 34 5.137 -8.076 0.167 280 HG22 ILE 34 2HG2 ILE 34 5.532 -7.581 -1.479 281 HG23 ILE 34 3HG2 ILE 34 5.231 -9.280 -1.118 282 HD11 ILE 34 3HD1 ILE 34 9.493 -6.321 -0.403 283 HD12 ILE 34 1HD1 ILE 34 8.440 -6.835 -1.720 284 HD13 ILE 34 2HD1 ILE 34 8.004 -5.437 -0.738 285 H ASN 35 HN ASN 35 5.369 -11.306 0.980 286 HA ASN 35 HA ASN 35 5.839 -13.049 -1.347 287 HB2 ASN 35 2HB ASN 35 4.671 -14.820 0.177 288 HB3 ASN 35 3HB ASN 35 6.381 -14.470 0.404 289 HD21 ASN 35 1HD2 ASN 35 3.556 -14.943 1.969 290 HD22 ASN 35 2HD2 ASN 35 3.889 -14.106 3.444 291 H GLN 36 HN GLN 36 3.268 -12.399 1.051 292 HA GLN 36 HA GLN 36 1.391 -12.115 -1.197 293 HB2 GLN 36 2HB GLN 36 1.163 -14.325 -0.032 294 HB3 GLN 36 3HB GLN 36 0.738 -13.450 1.432 295 HG2 GLN 36 2HG GLN 36 -1.372 -13.504 0.786 296 HG3 GLN 36 3HG GLN 36 -0.945 -12.437 -0.550 297 HE21 GLN 36 1HE2 GLN 36 -1.372 -13.148 -2.509 298 HE22 GLN 36 2HE2 GLN 36 -1.606 -14.799 -2.965 299 H VAL 37 HN VAL 37 0.543 -10.158 -1.222 300 HA VAL 37 HA VAL 37 -0.030 -8.830 1.343 301 HB VAL 37 HB VAL 37 0.347 -6.667 -0.163 302 HG11 VAL 37 1HG1 VAL 37 1.460 -6.897 1.897 303 HG12 VAL 37 2HG1 VAL 37 2.409 -8.268 1.325 304 HG13 VAL 37 3HG1 VAL 37 2.733 -6.650 0.702 305 HG21 VAL 37 3HG2 VAL 37 1.800 -6.830 -1.901 306 HG22 VAL 37 1HG2 VAL 37 2.634 -8.228 -1.220 307 HG23 VAL 37 2HG2 VAL 37 1.076 -8.433 -2.020 308 H TYR 38 HN TYR 38 -1.998 -7.892 1.527 309 HA TYR 38 HA TYR 38 -3.644 -7.646 -0.890 310 HB2 TYR 38 2HB TYR 38 -5.578 -8.421 0.723 311 HB3 TYR 38 3HB TYR 38 -4.593 -9.599 -0.133 312 HD1 TYR 38 1HD TYR 38 -2.481 -10.454 1.183 313 HD2 TYR 38 2HD TYR 38 -5.877 -8.653 3.005 314 HE1 TYR 38 1HE TYR 38 -1.892 -11.519 3.320 315 HE2 TYR 38 2HE TYR 38 -5.297 -9.712 5.147 316 HH TYR 38 HH TYR 38 -3.458 -10.685 6.284 317 H VAL 39 HN VAL 39 -5.258 -6.079 -0.825 318 HA VAL 39 HA VAL 39 -5.281 -4.294 1.509 319 HB VAL 39 HB VAL 39 -5.054 -3.305 -1.337 320 HG11 VAL 39 1HG1 VAL 39 -4.392 -1.244 0.348 321 HG12 VAL 39 2HG1 VAL 39 -5.953 -1.464 -0.442 322 HG13 VAL 39 3HG1 VAL 39 -5.710 -2.038 1.207 323 HG21 VAL 39 3HG2 VAL 39 -2.824 -2.405 -0.107 324 HG22 VAL 39 1HG2 VAL 39 -3.020 -3.968 0.686 325 HG23 VAL 39 2HG2 VAL 39 -2.890 -3.881 -1.070 326 H VAL 40 HN VAL 40 -7.203 -3.185 1.860 327 HA VAL 40 HA VAL 40 -9.383 -3.568 -0.045 328 HB VAL 40 HB VAL 40 -9.739 -4.244 2.877 329 HG11 VAL 40 1HG1 VAL 40 -11.854 -3.752 2.229 330 HG12 VAL 40 2HG1 VAL 40 -11.521 -4.059 0.525 331 HG13 VAL 40 3HG1 VAL 40 -11.797 -5.408 1.627 332 HG21 VAL 40 3HG2 VAL 40 -9.584 -6.182 0.573 333 HG22 VAL 40 1HG2 VAL 40 -8.259 -5.868 1.696 334 HG23 VAL 40 2HG2 VAL 40 -9.769 -6.567 2.284 335 H LEU 41 HN LEU 41 -10.632 -1.864 -0.238 336 HA LEU 41 HA LEU 41 -10.589 0.171 1.873 337 HB2 LEU 41 2HB LEU 41 -10.725 1.791 -0.198 338 HB3 LEU 41 3HB LEU 41 -9.188 1.239 0.438 339 HG LEU 41 HG LEU 41 -9.260 1.187 -2.016 340 HD11 LEU 41 1HD1 LEU 41 -8.272 -0.738 -0.341 341 HD12 LEU 41 2HD1 LEU 41 -9.148 -1.670 -1.555 342 HD13 LEU 41 3HD1 LEU 41 -7.882 -0.545 -2.049 343 HD21 LEU 41 3HD2 LEU 41 -10.721 -0.117 -3.267 344 HD22 LEU 41 1HD2 LEU 41 -11.217 -1.069 -1.870 345 HD23 LEU 41 2HD2 LEU 41 -11.757 0.601 -2.034 346 H LYS 42 HN LYS 42 -12.506 0.916 2.456 347 HA LYS 42 HA LYS 42 -14.845 0.171 0.849 348 HB2 LYS 42 2HB LYS 42 -15.018 -0.638 3.086 349 HB3 LYS 42 3HB LYS 42 -14.527 0.911 3.758 350 HG2 LYS 42 2HG LYS 42 -16.630 1.898 2.905 351 HG3 LYS 42 3HG LYS 42 -17.122 0.294 2.360 352 HD2 LYS 42 2HD LYS 42 -18.159 0.651 4.466 353 HD3 LYS 42 3HD LYS 42 -16.832 -0.480 4.739 354 HE2 LYS 42 2HE LYS 42 -15.570 1.874 5.150 355 HE3 LYS 42 3HE LYS 42 -17.198 2.284 5.689 356 HZ1 LYS 42 3HZ LYS 42 -15.382 1.150 7.255 357 HZ2 LYS 42 1HZ LYS 42 -16.134 -0.242 6.655 358 HZ3 LYS 42 2HZ LYS 42 -17.046 0.930 7.464 359 H VAL 43 HN VAL 43 -16.229 1.665 0.037 360 HA VAL 43 HA VAL 43 -15.506 4.493 0.446 361 HB VAL 43 HB VAL 43 -16.740 3.288 -2.035 362 HG11 VAL 43 1HG1 VAL 43 -15.588 6.035 -1.556 363 HG12 VAL 43 2HG1 VAL 43 -16.305 5.441 -3.055 364 HG13 VAL 43 3HG1 VAL 43 -17.308 5.650 -1.620 365 HG21 VAL 43 3HG2 VAL 43 -14.648 3.300 -3.064 366 HG22 VAL 43 1HG2 VAL 43 -13.940 4.342 -1.831 367 HG23 VAL 43 2HG2 VAL 43 -14.312 2.660 -1.454 368 H GLU 44 HN GLU 44 -16.959 5.423 1.711 369 HA GLU 44 HA GLU 44 -19.805 4.994 1.117 370 HB2 GLU 44 2HB GLU 44 -20.182 5.356 3.626 371 HB3 GLU 44 3HB GLU 44 -19.564 3.791 3.117 372 HG2 GLU 44 2HG GLU 44 -17.323 4.430 3.763 373 HG3 GLU 44 3HG GLU 44 -17.887 6.045 4.192 374 H LYS 45 HN LYS 45 -21.175 6.785 1.545 375 HA LYS 45 HA LYS 45 -20.210 9.249 0.749 376 HB2 LYS 45 2HB LYS 45 -22.610 8.464 0.774 377 HB3 LYS 45 3HB LYS 45 -22.645 8.862 2.486 378 HG2 LYS 45 2HG LYS 45 -21.693 11.001 0.704 379 HG3 LYS 45 3HG LYS 45 -23.390 10.548 0.530 380 HD2 LYS 45 2HD LYS 45 -23.943 11.531 2.460 381 HD3 LYS 45 3HD LYS 45 -22.595 10.779 3.315 382 HE2 LYS 45 2HE LYS 45 -21.798 12.870 3.464 383 HE3 LYS 45 3HE LYS 45 -21.308 12.629 1.788 384 HZ1 LYS 45 3HZ LYS 45 -22.494 14.500 1.491 385 HZ2 LYS 45 1HZ LYS 45 -23.435 14.277 2.880 386 HZ3 LYS 45 2HZ LYS 45 -23.816 13.446 1.457 387 H VAL 46 HN VAL 46 -20.060 7.826 3.891 388 HA VAL 46 HA VAL 46 -19.747 10.348 5.265 389 HB VAL 46 HB VAL 46 -19.342 7.539 6.292 390 HG11 VAL 46 1HG1 VAL 46 -19.062 10.210 7.519 391 HG12 VAL 46 2HG1 VAL 46 -19.923 8.999 8.470 392 HG13 VAL 46 3HG1 VAL 46 -18.275 8.684 7.926 393 HG21 VAL 46 3HG2 VAL 46 -21.641 8.046 5.501 394 HG22 VAL 46 1HG2 VAL 46 -21.545 7.715 7.231 395 HG23 VAL 46 2HG2 VAL 46 -21.703 9.375 6.660 396 H THR 47 HN THR 47 -17.590 7.571 5.702 397 HA THR 47 HA THR 47 -15.323 9.295 4.966 398 HB THR 47 HB THR 47 -15.429 7.439 7.350 399 HG1 THR 47 1HG THR 47 -15.301 9.408 8.522 400 HG21 THR 47 3HG2 THR 47 -13.307 8.521 7.991 401 HG22 THR 47 1HG2 THR 47 -13.264 9.300 6.410 402 HG23 THR 47 2HG2 THR 47 -13.180 7.543 6.529 403 H HIS 48 HN HIS 48 -13.435 8.219 4.231 404 HA HIS 48 HA HIS 48 -14.014 5.615 3.023 405 HB2 HIS 48 2HB HIS 48 -11.764 7.564 2.472 406 HB3 HIS 48 3HB HIS 48 -12.068 6.074 1.585 407 HD1 HIS 48 1HD HIS 48 -12.825 6.836 -0.653 408 HD2 HIS 48 2HD HIS 48 -14.687 8.925 2.420 409 HE1 HIS 48 1HE HIS 48 -14.531 8.302 -1.775 410 HE2 HIS 48 2HE HIS 48 -15.586 9.619 0.095 411 H THR 49 HN THR 49 -12.998 3.786 3.630 412 HA THR 49 HA THR 49 -10.729 4.045 5.496 413 HB THR 49 HB THR 49 -12.955 2.002 5.633 414 HG1 THR 49 1HG THR 49 -13.513 4.150 6.324 415 HG21 THR 49 3HG2 THR 49 -11.593 0.797 6.888 416 HG22 THR 49 1HG2 THR 49 -11.612 2.112 8.064 417 HG23 THR 49 2HG2 THR 49 -10.346 2.045 6.837 418 H SER 50 HN SER 50 -9.030 2.689 5.233 419 HA SER 50 HA SER 50 -9.237 0.518 3.282 420 HB2 SER 50 2HB SER 50 -6.978 2.525 3.172 421 HB3 SER 50 3HB SER 50 -7.309 1.216 2.038 422 HG SER 50 HG SER 50 -8.105 3.050 1.115 423 H ASP 51 HN ASP 51 -7.971 -1.235 3.730 424 HA ASP 51 HA ASP 51 -6.238 -1.025 6.103 425 HB2 ASP 51 2HB ASP 51 -6.851 -3.326 6.663 426 HB3 ASP 51 3HB ASP 51 -8.286 -2.312 6.557 427 H ALA 52 HN ALA 52 -4.289 -2.136 6.107 428 HA ALA 52 HA ALA 52 -3.518 -3.462 3.600 429 HB1 ALA 52 1HB ALA 52 -2.684 -1.156 3.537 430 HB2 ALA 52 2HB ALA 52 -1.827 -1.431 5.053 431 HB3 ALA 52 3HB ALA 52 -1.369 -2.328 3.606 432 H THR 53 HN THR 53 -3.093 -5.486 4.146 433 HA THR 53 HA THR 53 -1.661 -6.011 6.666 434 HB THR 53 HB THR 53 -3.207 -8.050 5.075 435 HG1 THR 53 1HG THR 53 -4.975 -7.587 6.325 436 HG21 THR 53 3HG2 THR 53 -3.513 -8.859 7.552 437 HG22 THR 53 1HG2 THR 53 -2.016 -7.957 7.791 438 HG23 THR 53 2HG2 THR 53 -2.072 -9.276 6.621 439 H LEU 54 HN LEU 54 0.463 -6.130 6.233 440 HA LEU 54 HA LEU 54 1.337 -7.474 3.782 441 HB2 LEU 54 2HB LEU 54 2.713 -5.623 5.714 442 HB3 LEU 54 3HB LEU 54 3.605 -6.536 4.511 443 HG LEU 54 HG LEU 54 2.466 -5.402 2.713 444 HD11 LEU 54 1HD1 LEU 54 0.743 -4.358 4.918 445 HD12 LEU 54 2HD1 LEU 54 0.950 -3.422 3.437 446 HD13 LEU 54 3HD1 LEU 54 0.281 -5.053 3.365 447 HD21 LEU 54 3HD2 LEU 54 4.373 -4.305 4.142 448 HD22 LEU 54 1HD2 LEU 54 3.558 -3.394 2.871 449 HD23 LEU 54 2HD2 LEU 54 3.104 -3.153 4.559 450 H HIS 55 HN HIS 55 2.775 -9.190 3.795 451 HA HIS 55 HA HIS 55 2.795 -10.734 6.272 452 HB2 HIS 55 2HB HIS 55 3.169 -11.396 3.377 453 HB3 HIS 55 3HB HIS 55 3.824 -12.482 4.598 454 HD1 HIS 55 1HD HIS 55 2.278 -14.357 4.979 455 HD2 HIS 55 2HD HIS 55 0.236 -10.816 4.235 456 HE1 HIS 55 1HE HIS 55 -0.162 -14.943 5.136 457 HE2 HIS 55 2HE HIS 55 -1.376 -12.762 4.787 458 H VAL 56 HN VAL 56 4.532 -10.887 7.521 459 HA VAL 56 HA VAL 56 7.112 -9.962 6.458 460 HB VAL 56 HB VAL 56 6.621 -10.366 9.385 461 HG11 VAL 56 1HG1 VAL 56 8.812 -9.790 9.099 462 HG12 VAL 56 2HG1 VAL 56 8.489 -8.829 7.658 463 HG13 VAL 56 3HG1 VAL 56 8.100 -8.185 9.254 464 HG21 VAL 56 3HG2 VAL 56 4.834 -8.986 9.209 465 HG22 VAL 56 1HG2 VAL 56 6.089 -7.747 9.171 466 HG23 VAL 56 2HG2 VAL 56 5.365 -8.316 7.667 467 H ASN 57 HN ASN 57 9.052 -11.051 7.526 468 HA ASN 57 HA ASN 57 9.267 -13.672 6.786 469 HB2 ASN 57 2HB ASN 57 10.765 -12.016 8.785 470 HB3 ASN 57 3HB ASN 57 11.141 -13.729 8.620 471 HD21 ASN 57 1HD2 ASN 57 11.018 -14.237 6.027 472 HD22 ASN 57 2HD2 ASN 57 12.138 -13.269 5.136 473 H GLY 58 HN GLY 58 9.295 -12.831 10.250 474 HA2 GLY 58 2HA GLY 58 7.822 -15.340 10.746 475 HA3 GLY 58 3HA GLY 58 8.955 -14.610 11.873 476 H GLY 59 HN GLY 59 6.612 -12.710 10.110 477 HA2 GLY 59 2HA GLY 59 4.639 -12.734 12.193 478 HA3 GLY 59 3HA GLY 59 5.638 -11.288 12.234 479 H GLU 60 HN GLU 60 3.082 -10.797 11.892 480 HA GLU 60 HA GLU 60 2.920 -9.983 9.084 481 HB2 GLU 60 2HB GLU 60 0.781 -11.472 10.602 482 HB3 GLU 60 3HB GLU 60 0.447 -10.548 9.143 483 HG2 GLU 60 2HG GLU 60 0.757 -12.565 8.187 484 HG3 GLU 60 3HG GLU 60 2.441 -12.044 8.219 485 H ILE 61 HN ILE 61 2.320 -7.920 8.852 486 HA ILE 61 HA ILE 61 1.380 -6.492 11.240 487 HB ILE 61 HB ILE 61 2.457 -5.284 8.692 488 HG12 ILE 61 2HG1 ILE 61 3.985 -5.636 11.269 489 HG13 ILE 61 3HG1 ILE 61 4.063 -6.819 9.967 490 HG21 ILE 61 1HG2 ILE 61 2.945 -3.422 10.464 491 HG22 ILE 61 2HG2 ILE 61 1.339 -3.579 9.751 492 HG23 ILE 61 3HG2 ILE 61 1.656 -4.226 11.361 493 HD11 ILE 61 3HD1 ILE 61 4.525 -4.203 8.912 494 HD12 ILE 61 1HD1 ILE 61 5.595 -4.496 10.284 495 HD13 ILE 61 2HD1 ILE 61 5.586 -5.612 8.917 496 H HIS 62 HN HIS 62 -0.521 -5.382 11.273 497 HA HIS 62 HA HIS 62 -2.093 -5.260 8.798 498 HB2 HIS 62 2HB HIS 62 -2.766 -7.209 10.301 499 HB3 HIS 62 3HB HIS 62 -3.318 -5.999 11.456 500 HD1 HIS 62 1HD HIS 62 -5.621 -7.442 10.854 501 HD2 HIS 62 2HD HIS 62 -4.205 -4.740 8.032 502 HE1 HIS 62 1HE HIS 62 -7.570 -6.969 9.339 503 HE2 HIS 62 2HE HIS 62 -6.667 -5.397 7.589 504 H ALA 63 HN ALA 63 -2.398 -3.161 8.419 505 HA ALA 63 HA ALA 63 -3.163 -1.441 10.685 506 HB1 ALA 63 1HB ALA 63 -1.178 -0.438 10.375 507 HB2 ALA 63 2HB ALA 63 -0.979 -1.104 8.755 508 HB3 ALA 63 3HB ALA 63 -1.979 0.327 9.003 509 H SER 64 HN SER 64 -4.419 0.474 10.066 510 HA SER 64 HA SER 64 -5.763 0.287 7.477 511 HB2 SER 64 2HB SER 64 -7.337 0.596 10.038 512 HB3 SER 64 3HB SER 64 -7.959 0.322 8.411 513 HG SER 64 HG SER 64 -7.939 -1.586 9.708 514 H ALA 65 HN ALA 65 -5.693 2.227 6.557 515 HA ALA 65 HA ALA 65 -5.559 4.593 8.303 516 HB1 ALA 65 1HB ALA 65 -4.045 3.797 5.958 517 HB2 ALA 65 2HB ALA 65 -4.717 5.421 5.807 518 HB3 ALA 65 3HB ALA 65 -3.684 5.018 7.179 519 H GLU 66 HN GLU 66 -6.839 6.352 7.910 520 HA GLU 66 HA GLU 66 -9.044 5.927 6.005 521 HB2 GLU 66 2HB GLU 66 -10.366 7.436 7.440 522 HB3 GLU 66 3HB GLU 66 -9.803 6.017 8.313 523 HG2 GLU 66 2HG GLU 66 -8.490 7.218 9.694 524 HG3 GLU 66 3HG GLU 66 -8.061 8.389 8.448 525 H GLY 67 HN GLY 67 -9.764 7.677 4.730 526 HA2 GLY 67 2HA GLY 67 -8.201 10.139 4.784 527 HA3 GLY 67 3HA GLY 67 -8.066 9.161 3.332 528 H GLN 68 HN GLN 68 -9.023 11.809 3.389 529 HA GLN 68 HA GLN 68 -11.807 12.044 3.464 530 HB2 GLN 68 2HB GLN 68 -10.324 13.978 3.442 531 HB3 GLN 68 3HB GLN 68 -9.795 13.579 1.813 532 HG2 GLN 68 2HG GLN 68 -11.489 14.684 0.922 533 HG3 GLN 68 3HG GLN 68 -12.654 13.796 1.901 534 HE21 GLN 68 1HE2 GLN 68 -13.978 15.319 2.644 535 HE22 GLN 68 2HE2 GLN 68 -13.493 16.727 3.519 536 H ASP 69 HN ASP 69 -9.829 10.408 1.208 537 HA ASP 69 HA ASP 69 -12.153 9.822 -0.422 538 HB2 ASP 69 2HB ASP 69 -10.718 10.236 -2.527 539 HB3 ASP 69 3HB ASP 69 -11.428 11.633 -1.725 540 H MET 70 HN MET 70 -11.601 8.116 -2.095 541 HA MET 70 HA MET 70 -10.449 5.902 -0.831 542 HB2 MET 70 2HB MET 70 -12.131 5.863 -2.702 543 HB3 MET 70 3HB MET 70 -10.817 6.240 -3.808 544 HG2 MET 70 2HG MET 70 -10.401 3.927 -2.028 545 HG3 MET 70 3HG MET 70 -11.642 3.751 -3.268 546 HE1 MET 70 3HE MET 70 -8.592 3.054 -2.194 547 HE2 MET 70 1HE MET 70 -8.052 2.136 -3.599 548 HE3 MET 70 2HE MET 70 -7.318 3.695 -3.229 549 H TYR 71 HN TYR 71 -8.982 8.461 -2.589 550 HA TYR 71 HA TYR 71 -6.588 6.953 -3.229 551 HB2 TYR 71 2HB TYR 71 -7.434 9.811 -3.657 552 HB3 TYR 71 3HB TYR 71 -5.781 9.287 -3.952 553 HD1 TYR 71 1HD TYR 71 -6.165 6.647 -5.162 554 HD2 TYR 71 2HD TYR 71 -8.339 10.256 -5.752 555 HE1 TYR 71 1HE TYR 71 -6.805 5.887 -7.412 556 HE2 TYR 71 2HE TYR 71 -8.986 9.507 -8.002 557 HH TYR 71 HH TYR 71 -9.251 7.185 -9.164 558 H ALA 72 HN ALA 72 -7.649 9.403 -0.933 559 HA ALA 72 HA ALA 72 -5.127 9.961 0.202 560 HB1 ALA 72 1HB ALA 72 -7.066 11.421 0.504 561 HB2 ALA 72 2HB ALA 72 -7.860 10.174 1.464 562 HB3 ALA 72 3HB ALA 72 -6.382 10.935 2.055 563 H ALA 73 HN ALA 73 -7.656 7.633 1.046 564 HA ALA 73 HA ALA 73 -6.635 6.657 3.427 565 HB1 ALA 73 1HB ALA 73 -8.847 6.084 2.493 566 HB2 ALA 73 2HB ALA 73 -8.051 5.043 1.312 567 HB3 ALA 73 3HB ALA 73 -7.943 4.669 3.032 568 H ILE 74 HN ILE 74 -5.760 5.814 0.113 569 HA ILE 74 HA ILE 74 -4.037 3.656 0.857 570 HB ILE 74 HB ILE 74 -4.048 5.222 -1.726 571 HG12 ILE 74 2HG1 ILE 74 -6.262 4.324 -1.328 572 HG13 ILE 74 3HG1 ILE 74 -5.472 3.361 -2.572 573 HG21 ILE 74 1HG2 ILE 74 -2.160 4.013 -1.989 574 HG22 ILE 74 2HG2 ILE 74 -2.622 2.825 -0.771 575 HG23 ILE 74 3HG2 ILE 74 -3.298 2.729 -2.396 576 HD11 ILE 74 3HD1 ILE 74 -5.684 2.598 0.330 577 HD12 ILE 74 1HD1 ILE 74 -6.721 1.998 -0.965 578 HD13 ILE 74 2HD1 ILE 74 -4.998 1.621 -0.968 579 H ASP 75 HN ASP 75 -3.624 7.091 0.253 580 HA ASP 75 HA ASP 75 -0.833 7.177 0.068 581 HB2 ASP 75 2HB ASP 75 -2.888 9.036 0.034 582 HB3 ASP 75 3HB ASP 75 -1.974 9.468 1.476 583 H GLY 76 HN GLY 76 -2.883 7.798 2.926 584 HA2 GLY 76 2HA GLY 76 -0.676 7.872 4.728 585 HA3 GLY 76 3HA GLY 76 -2.373 7.767 5.170 586 H LEU 77 HN LEU 77 -2.687 5.323 3.483 587 HA LEU 77 HA LEU 77 -2.152 3.411 5.515 588 HB2 LEU 77 2HB LEU 77 -4.069 3.147 4.084 589 HB3 LEU 77 3HB LEU 77 -3.058 3.126 2.652 590 HG LEU 77 HG LEU 77 -2.211 0.961 3.166 591 HD11 LEU 77 1HD1 LEU 77 -3.393 -0.068 5.362 592 HD12 LEU 77 2HD1 LEU 77 -1.782 0.651 5.351 593 HD13 LEU 77 3HD1 LEU 77 -3.169 1.606 5.871 594 HD21 LEU 77 3HD2 LEU 77 -4.939 0.325 3.983 595 HD22 LEU 77 1HD2 LEU 77 -4.856 1.440 2.618 596 HD23 LEU 77 2HD2 LEU 77 -4.055 -0.127 2.525 597 H ILE 78 HN ILE 78 -0.715 4.078 2.350 598 HA ILE 78 HA ILE 78 1.247 1.984 2.629 599 HB ILE 78 HB ILE 78 1.062 4.212 0.598 600 HG12 ILE 78 2HG1 ILE 78 -0.850 2.706 0.489 601 HG13 ILE 78 3HG1 ILE 78 0.207 2.426 -0.892 602 HG21 ILE 78 1HG2 ILE 78 3.106 2.217 1.122 603 HG22 ILE 78 2HG2 ILE 78 2.473 2.113 -0.519 604 HG23 ILE 78 3HG2 ILE 78 3.150 3.630 0.068 605 HD11 ILE 78 3HD1 ILE 78 1.058 0.690 1.147 606 HD12 ILE 78 1HD1 ILE 78 -0.700 0.586 1.079 607 HD13 ILE 78 2HD1 ILE 78 0.257 0.283 -0.370 608 H ASP 79 HN ASP 79 0.960 5.191 3.711 609 HA ASP 79 HA ASP 79 3.755 5.838 3.689 610 HB2 ASP 79 2HB ASP 79 1.264 7.108 4.698 611 HB3 ASP 79 3HB ASP 79 2.766 7.568 5.493 612 H LYS 80 HN LYS 80 1.437 5.156 6.318 613 HA LYS 80 HA LYS 80 3.437 4.871 8.301 614 HB2 LYS 80 2HB LYS 80 1.577 3.771 9.620 615 HB3 LYS 80 3HB LYS 80 1.247 5.401 9.045 616 HG2 LYS 80 2HG LYS 80 -0.511 4.729 7.870 617 HG3 LYS 80 3HG LYS 80 0.389 3.399 7.140 618 HD2 LYS 80 2HD LYS 80 -1.035 2.116 8.325 619 HD3 LYS 80 3HD LYS 80 0.066 2.466 9.660 620 HE2 LYS 80 2HE LYS 80 -1.335 4.234 10.443 621 HE3 LYS 80 3HE LYS 80 -2.345 4.146 9.003 622 HZ1 LYS 80 3HZ LYS 80 -3.413 2.302 9.749 623 HZ2 LYS 80 1HZ LYS 80 -3.042 3.000 11.245 624 HZ3 LYS 80 2HZ LYS 80 -2.093 1.737 10.641 625 H LEU 81 HN LEU 81 1.907 2.636 6.071 626 HA LEU 81 HA LEU 81 2.713 0.231 7.294 627 HB2 LEU 81 2HB LEU 81 1.882 1.030 4.541 628 HB3 LEU 81 3HB LEU 81 2.604 -0.550 4.773 629 HG LEU 81 HG LEU 81 -0.024 -0.154 4.870 630 HD11 LEU 81 1HD1 LEU 81 1.366 -2.272 5.106 631 HD12 LEU 81 2HD1 LEU 81 1.242 -2.022 6.847 632 HD13 LEU 81 3HD1 LEU 81 -0.217 -2.255 5.884 633 HD21 LEU 81 3HD2 LEU 81 0.281 1.436 6.820 634 HD22 LEU 81 1HD2 LEU 81 -0.894 0.138 7.044 635 HD23 LEU 81 2HD2 LEU 81 0.704 0.019 7.783 636 H ALA 82 HN ALA 82 4.239 2.193 4.750 637 HA ALA 82 HA ALA 82 6.449 0.555 4.275 638 HB1 ALA 82 1HB ALA 82 7.396 2.353 3.126 639 HB2 ALA 82 2HB ALA 82 5.661 2.638 3.000 640 HB3 ALA 82 3HB ALA 82 6.622 3.547 4.167 641 H ARG 83 HN ARG 83 6.299 3.451 6.354 642 HA ARG 83 HA ARG 83 8.821 3.342 7.448 643 HB2 ARG 83 2HB ARG 83 6.293 4.131 8.904 644 HB3 ARG 83 3HB ARG 83 7.930 4.600 9.343 645 HG2 ARG 83 2HG ARG 83 7.335 5.295 6.602 646 HG3 ARG 83 3HG ARG 83 6.166 5.998 7.722 647 HD2 ARG 83 2HD ARG 83 8.438 6.524 9.051 648 HD3 ARG 83 3HD ARG 83 9.055 6.535 7.400 649 HE ARG 83 HE ARG 83 6.787 8.095 7.362 650 HH11 ARG 83 2HH1 ARG 83 9.846 8.129 9.040 651 HH12 ARG 83 1HH1 ARG 83 9.887 9.853 9.190 652 HH21 ARG 83 2HH2 ARG 83 6.838 10.363 7.560 653 HH22 ARG 83 1HH2 ARG 83 8.179 11.122 8.351 654 H GLN 84 HN GLN 84 6.006 1.423 8.288 655 HA GLN 84 HA GLN 84 7.161 0.312 10.667 656 HB2 GLN 84 2HB GLN 84 4.766 -0.448 8.995 657 HB3 GLN 84 3HB GLN 84 5.242 -1.337 10.435 658 HG2 GLN 84 2HG GLN 84 5.097 1.484 10.983 659 HG3 GLN 84 3HG GLN 84 3.585 0.897 10.289 660 HE21 GLN 84 1HE2 GLN 84 5.829 0.610 12.942 661 HE22 GLN 84 2HE2 GLN 84 4.760 -0.216 14.018 662 H LEU 85 HN LEU 85 6.694 -0.794 7.336 663 HA LEU 85 HA LEU 85 7.725 -3.375 7.627 664 HB2 LEU 85 2HB LEU 85 7.414 -1.488 5.338 665 HB3 LEU 85 3HB LEU 85 8.389 -2.925 5.107 666 HG LEU 85 HG LEU 85 5.798 -2.869 4.535 667 HD11 LEU 85 1HD1 LEU 85 5.986 -5.430 5.464 668 HD12 LEU 85 2HD1 LEU 85 6.617 -4.853 3.922 669 HD13 LEU 85 3HD1 LEU 85 7.680 -4.958 5.325 670 HD21 LEU 85 3HD2 LEU 85 5.352 -2.328 7.019 671 HD22 LEU 85 1HD2 LEU 85 4.359 -3.551 6.228 672 HD23 LEU 85 2HD2 LEU 85 5.678 -4.040 7.291 673 H THR 86 HN THR 86 9.350 -0.329 6.827 674 HA THR 86 HA THR 86 11.915 -1.410 6.414 675 HB THR 86 HB THR 86 11.290 1.353 7.461 676 HG1 THR 86 1HG THR 86 10.133 1.379 5.678 677 HG21 THR 86 3HG2 THR 86 13.381 1.924 7.011 678 HG22 THR 86 1HG2 THR 86 13.336 1.128 5.437 679 HG23 THR 86 2HG2 THR 86 13.730 0.199 6.884 680 H LYS 87 HN LYS 87 10.314 -0.172 9.319 681 HA LYS 87 HA LYS 87 12.436 -0.141 11.086 682 HB2 LYS 87 2HB LYS 87 9.955 0.510 11.432 683 HB3 LYS 87 3HB LYS 87 9.734 -1.166 11.912 684 HG2 LYS 87 2HG LYS 87 11.587 -0.789 13.594 685 HG3 LYS 87 3HG LYS 87 11.437 0.930 13.226 686 HD2 LYS 87 2HD LYS 87 9.056 -0.717 14.018 687 HD3 LYS 87 3HD LYS 87 10.122 0.002 15.228 688 HE2 LYS 87 2HE LYS 87 9.292 1.859 13.127 689 HE3 LYS 87 3HE LYS 87 7.954 1.226 14.085 690 HZ1 LYS 87 3HZ LYS 87 8.974 2.011 16.072 691 HZ2 LYS 87 1HZ LYS 87 8.956 3.297 14.970 692 HZ3 LYS 87 2HZ LYS 87 10.391 2.448 15.257 693 H HIS 88 HN HIS 88 10.219 -2.863 10.476 694 HA HIS 88 HA HIS 88 11.764 -4.671 12.060 695 HB2 HIS 88 2HB HIS 88 10.140 -6.271 11.605 696 HB3 HIS 88 3HB HIS 88 9.235 -4.767 11.492 697 HD1 HIS 88 1HD HIS 88 7.777 -4.633 9.506 698 HD2 HIS 88 2HD HIS 88 11.032 -7.130 8.854 699 HE1 HIS 88 1HE HIS 88 7.444 -5.585 7.203 700 HE2 HIS 88 2HE HIS 88 9.469 -7.026 6.796 701 H LYS 89 HN LYS 89 12.040 -3.531 8.860 702 HA LYS 89 HA LYS 89 13.274 -5.846 7.722 703 HB2 LYS 89 2HB LYS 89 12.243 -3.490 6.722 704 HB3 LYS 89 3HB LYS 89 13.972 -3.293 6.484 705 HG2 LYS 89 2HG LYS 89 12.633 -5.823 5.639 706 HG3 LYS 89 3HG LYS 89 12.526 -4.380 4.629 707 HD2 LYS 89 2HD LYS 89 15.108 -5.588 5.611 708 HD3 LYS 89 3HD LYS 89 14.403 -5.898 4.025 709 HE2 LYS 89 2HE LYS 89 15.174 -3.972 3.208 710 HE3 LYS 89 3HE LYS 89 14.573 -3.062 4.594 711 HZ1 LYS 89 3HZ LYS 89 16.930 -2.842 4.503 712 HZ2 LYS 89 1HZ LYS 89 17.153 -4.517 4.399 713 HZ3 LYS 89 2HZ LYS 89 16.562 -3.829 5.826 714 H ASP 90 HN ASP 90 14.383 -3.179 9.641 715 HA ASP 90 HA ASP 90 17.160 -3.541 8.923 716 HB2 ASP 90 2HB ASP 90 17.606 -1.792 10.577 717 HB3 ASP 90 3HB ASP 90 16.314 -1.303 9.483 718 H LYS 91 HN LYS 91 14.966 -4.859 11.205 719 HA LYS 91 HA LYS 91 16.632 -5.474 13.349 720 HB2 LYS 91 2HB LYS 91 14.058 -6.405 12.317 721 HB3 LYS 91 3HB LYS 91 14.946 -7.654 13.178 722 HG2 LYS 91 2HG LYS 91 14.527 -6.731 15.157 723 HG3 LYS 91 3HG LYS 91 14.962 -5.118 14.590 724 HD2 LYS 91 2HD LYS 91 12.784 -4.735 13.735 725 HD3 LYS 91 3HD LYS 91 12.338 -6.432 13.916 726 HE2 LYS 91 2HE LYS 91 11.398 -5.785 15.842 727 HE3 LYS 91 3HE LYS 91 13.047 -5.750 16.466 728 HZ1 LYS 91 3HZ LYS 91 12.162 -3.351 15.090 729 HZ2 LYS 91 1HZ LYS 91 13.079 -3.516 16.502 730 HZ3 LYS 91 2HZ LYS 91 11.396 -3.671 16.563 731 H LEU 92 HN LEU 92 15.846 -7.504 10.525 732 HA LEU 92 HA LEU 92 17.941 -9.380 11.224 733 HB2 LEU 92 2HB LEU 92 16.247 -9.357 8.732 734 HB3 LEU 92 3HB LEU 92 17.137 -10.710 9.405 735 HG LEU 92 HG LEU 92 15.085 -9.542 11.175 736 HD11 LEU 92 1HD1 LEU 92 14.247 -9.685 8.658 737 HD12 LEU 92 2HD1 LEU 92 14.036 -11.379 9.101 738 HD13 LEU 92 3HD1 LEU 92 13.217 -10.118 10.023 739 HD21 LEU 92 3HD2 LEU 92 14.679 -11.894 11.665 740 HD22 LEU 92 1HD2 LEU 92 15.775 -12.365 10.367 741 HD23 LEU 92 2HD2 LEU 92 16.398 -11.516 11.781 742 H LYS 93 HN LYS 93 17.167 -7.678 8.185 743 HA LYS 93 HA LYS 93 18.479 -6.687 6.615 744 HB2 LYS 93 2HB LYS 93 19.980 -6.324 9.108 745 HB3 LYS 93 3HB LYS 93 20.989 -6.300 7.669 746 HG2 LYS 93 2HG LYS 93 18.607 -4.706 7.310 747 HG3 LYS 93 3HG LYS 93 19.530 -4.192 8.724 748 HD2 LYS 93 2HD LYS 93 21.553 -4.052 7.327 749 HD3 LYS 93 3HD LYS 93 20.595 -4.514 5.917 750 HE2 LYS 93 2HE LYS 93 19.122 -2.457 6.749 751 HE3 LYS 93 3HE LYS 93 20.674 -1.955 7.417 752 HZ1 LYS 93 3HZ LYS 93 21.607 -1.764 5.339 753 HZ2 LYS 93 1HZ LYS 93 20.023 -1.254 5.031 754 HZ3 LYS 93 2HZ LYS 93 20.506 -2.820 4.610 755 H GLN 94 HN GLN 94 18.710 -9.711 7.463 756 HA GLN 94 HA GLN 94 20.053 -10.650 5.261 757 HB2 GLN 94 2HB GLN 94 22.181 -11.518 6.431 758 HB3 GLN 94 3HB GLN 94 22.145 -9.838 5.914 759 HG2 GLN 94 2HG GLN 94 22.191 -9.042 8.022 760 HG3 GLN 94 3HG GLN 94 21.221 -10.368 8.662 761 HE21 GLN 94 1HE2 GLN 94 22.594 -12.567 8.091 762 HE22 GLN 94 2HE2 GLN 94 24.158 -12.546 8.826 763 H HIS 95 HN HIS 95 17.816 -11.305 6.848 764 HA HIS 95 HA HIS 95 16.701 -13.091 7.708 765 HB2 HIS 95 2HB HIS 95 18.948 -14.438 6.229 766 HB3 HIS 95 3HB HIS 95 17.748 -15.377 7.111 767 HD1 HIS 95 1HD HIS 95 18.335 -14.843 3.850 768 HD2 HIS 95 2HD HIS 95 15.042 -13.838 6.176 769 HE1 HIS 95 1HE HIS 95 16.423 -14.593 2.236 770 HE2 HIS 95 2HE HIS 95 14.462 -13.897 3.657 Start of MODEL 7 1 H1 MET 1 1H MET 1 5.348 -11.680 -3.924 2 H2 MET 1 2H MET 1 4.482 -10.200 -4.024 3 H3 MET 1 3H MET 1 6.169 -10.233 -4.337 4 HA MET 1 HA MET 1 5.218 -10.112 -6.395 5 HB2 MET 1 2HB MET 1 6.682 -12.308 -5.567 6 HB3 MET 1 3HB MET 1 5.349 -13.036 -6.450 7 HG2 MET 1 2HG MET 1 5.882 -11.664 -8.395 8 HG3 MET 1 3HG MET 1 7.215 -10.925 -7.509 9 HE1 MET 1 2HE MET 1 7.947 -11.500 -9.863 10 HE2 MET 1 3HE MET 1 9.499 -12.227 -9.448 11 HE3 MET 1 1HE MET 1 8.356 -13.108 -10.461 12 H GLN 2 HN GLN 2 3.451 -12.226 -4.248 13 HA GLN 2 HA GLN 2 1.238 -12.356 -6.181 14 HB2 GLN 2 2HB GLN 2 2.238 -14.181 -4.086 15 HB3 GLN 2 3HB GLN 2 0.489 -14.047 -4.190 16 HG2 GLN 2 2HG GLN 2 0.507 -15.487 -5.862 17 HG3 GLN 2 3HG GLN 2 1.420 -14.327 -6.825 18 HE21 GLN 2 1HE2 GLN 2 3.821 -14.314 -6.308 19 HE22 GLN 2 2HE2 GLN 2 4.575 -15.859 -6.139 20 H LEU 3 HN LEU 3 0.467 -10.254 -5.759 21 HA LEU 3 HA LEU 3 -0.822 -9.952 -3.124 22 HB2 LEU 3 2HB LEU 3 -0.528 -7.592 -3.241 23 HB3 LEU 3 3HB LEU 3 1.028 -8.339 -3.552 24 HG LEU 3 HG LEU 3 -0.579 -7.690 -5.947 25 HD11 LEU 3 1HD1 LEU 3 -0.637 -5.772 -4.061 26 HD12 LEU 3 2HD1 LEU 3 0.893 -5.389 -4.848 27 HD13 LEU 3 3HD1 LEU 3 -0.595 -5.443 -5.792 28 HD21 LEU 3 3HD2 LEU 3 2.252 -7.841 -5.103 29 HD22 LEU 3 1HD2 LEU 3 1.478 -8.388 -6.590 30 HD23 LEU 3 2HD2 LEU 3 1.856 -6.679 -6.370 31 H ASN 4 HN ASN 4 -2.914 -9.123 -3.055 32 HA ASN 4 HA ASN 4 -4.279 -8.660 -5.599 33 HB2 ASN 4 2HB ASN 4 -4.448 -11.113 -4.297 34 HB3 ASN 4 3HB ASN 4 -5.920 -10.275 -3.817 35 HD21 ASN 4 1HD2 ASN 4 -5.829 -12.582 -5.418 36 HD22 ASN 4 2HD2 ASN 4 -6.441 -12.174 -6.983 37 H ILE 5 HN ILE 5 -6.418 -7.693 -5.327 38 HA ILE 5 HA ILE 5 -6.786 -6.361 -2.731 39 HB ILE 5 HB ILE 5 -7.702 -4.416 -4.304 40 HG12 ILE 5 2HG1 ILE 5 -5.323 -5.370 -5.890 41 HG13 ILE 5 3HG1 ILE 5 -6.971 -5.800 -6.340 42 HG21 ILE 5 1HG2 ILE 5 -4.794 -4.238 -4.090 43 HG22 ILE 5 2HG2 ILE 5 -6.053 -3.225 -3.382 44 HG23 ILE 5 3HG2 ILE 5 -5.600 -4.740 -2.603 45 HD11 ILE 5 3HD1 ILE 5 -7.497 -3.669 -6.978 46 HD12 ILE 5 1HD1 ILE 5 -6.301 -2.936 -5.909 47 HD13 ILE 5 2HD1 ILE 5 -5.785 -3.729 -7.397 48 H THR 6 HN THR 6 -8.952 -5.672 -2.280 49 HA THR 6 HA THR 6 -11.031 -6.729 -4.041 50 HB THR 6 HB THR 6 -10.861 -7.314 -1.078 51 HG1 THR 6 1HG THR 6 -10.432 -9.370 -1.665 52 HG21 THR 6 3HG2 THR 6 -13.031 -7.708 -1.108 53 HG22 THR 6 1HG2 THR 6 -12.766 -8.946 -2.335 54 HG23 THR 6 2HG2 THR 6 -13.116 -7.286 -2.820 55 H GLY 7 HN GLY 7 -12.394 -5.110 -4.434 56 HA2 GLY 7 2HA GLY 7 -12.559 -2.919 -2.490 57 HA3 GLY 7 3HA GLY 7 -13.016 -2.825 -4.182 58 H ASN 8 HN ASN 8 -14.303 -2.506 -1.325 59 HA ASN 8 HA ASN 8 -16.752 -4.025 -1.913 60 HB2 ASN 8 2HB ASN 8 -17.286 -3.341 0.547 61 HB3 ASN 8 3HB ASN 8 -16.147 -4.649 0.249 62 HD21 ASN 8 1HD2 ASN 8 -15.739 -3.895 2.570 63 HD22 ASN 8 2HD2 ASN 8 -14.473 -2.736 2.768 64 H ASN 9 HN ASN 9 -18.164 -2.834 -3.011 65 HA ASN 9 HA ASN 9 -19.646 -1.167 -3.493 66 HB2 ASN 9 2HB ASN 9 -19.696 -0.988 -0.902 67 HB3 ASN 9 3HB ASN 9 -18.684 0.433 -1.137 68 HD21 ASN 9 1HD2 ASN 9 -19.929 2.129 -0.802 69 HD22 ASN 9 2HD2 ASN 9 -21.480 2.402 -1.514 70 H VAL 10 HN VAL 10 -16.983 -1.247 -4.529 71 HA VAL 10 HA VAL 10 -16.816 1.474 -5.496 72 HB VAL 10 HB VAL 10 -15.343 1.550 -3.544 73 HG11 VAL 10 1HG1 VAL 10 -13.635 0.090 -3.128 74 HG12 VAL 10 2HG1 VAL 10 -14.789 -0.991 -3.908 75 HG13 VAL 10 3HG1 VAL 10 -13.436 -0.334 -4.828 76 HG21 VAL 10 3HG2 VAL 10 -14.844 2.599 -5.925 77 HG22 VAL 10 1HG2 VAL 10 -13.714 2.764 -4.583 78 HG23 VAL 10 2HG2 VAL 10 -13.437 1.540 -5.822 79 H GLU 11 HN GLU 11 -16.179 1.560 -7.588 80 HA GLU 11 HA GLU 11 -15.892 -0.893 -9.020 81 HB2 GLU 11 2HB GLU 11 -16.819 1.545 -9.700 82 HB3 GLU 11 3HB GLU 11 -15.194 1.654 -10.363 83 HG2 GLU 11 2HG GLU 11 -15.666 0.277 -12.050 84 HG3 GLU 11 3HG GLU 11 -16.540 -0.847 -11.012 85 H ILE 12 HN ILE 12 -14.090 -2.013 -9.287 86 HA ILE 12 HA ILE 12 -11.519 -0.864 -8.643 87 HB ILE 12 HB ILE 12 -12.146 -3.629 -9.684 88 HG12 ILE 12 2HG1 ILE 12 -13.306 -3.057 -7.543 89 HG13 ILE 12 3HG1 ILE 12 -12.149 -4.375 -7.392 90 HG21 ILE 12 1HG2 ILE 12 -9.823 -3.399 -7.991 91 HG22 ILE 12 2HG2 ILE 12 -9.966 -4.054 -9.622 92 HG23 ILE 12 3HG2 ILE 12 -9.696 -2.327 -9.385 93 HD11 ILE 12 3HD1 ILE 12 -11.080 -3.293 -5.791 94 HD12 ILE 12 1HD1 ILE 12 -10.841 -1.897 -6.843 95 HD13 ILE 12 2HD1 ILE 12 -12.305 -2.027 -5.870 96 H THR 13 HN THR 13 -11.018 0.618 -10.237 97 HA THR 13 HA THR 13 -10.957 -0.311 -13.013 98 HB THR 13 HB THR 13 -10.263 2.188 -13.349 99 HG1 THR 13 1HG THR 13 -10.916 3.532 -11.711 100 HG21 THR 13 3HG2 THR 13 -12.614 0.968 -13.643 101 HG22 THR 13 1HG2 THR 13 -12.390 2.701 -13.879 102 HG23 THR 13 2HG2 THR 13 -13.036 2.095 -12.353 103 H GLU 14 HN GLU 14 -9.087 -0.332 -14.250 104 HA GLU 14 HA GLU 14 -6.785 -1.311 -13.329 105 HB2 GLU 14 2HB GLU 14 -7.059 0.690 -15.573 106 HB3 GLU 14 3HB GLU 14 -5.633 -0.301 -15.298 107 HG2 GLU 14 2HG GLU 14 -7.293 -2.284 -15.431 108 HG3 GLU 14 3HG GLU 14 -8.352 -1.115 -16.219 109 H ALA 15 HN ALA 15 -7.463 2.178 -13.487 110 HA ALA 15 HA ALA 15 -4.970 3.133 -12.720 111 HB1 ALA 15 1HB ALA 15 -5.966 5.153 -12.596 112 HB2 ALA 15 2HB ALA 15 -7.317 4.297 -13.340 113 HB3 ALA 15 3HB ALA 15 -7.293 4.557 -11.594 114 H LEU 16 HN LEU 16 -7.700 2.131 -10.700 115 HA LEU 16 HA LEU 16 -6.685 2.795 -8.205 116 HB2 LEU 16 2HB LEU 16 -9.004 1.950 -8.807 117 HB3 LEU 16 3HB LEU 16 -8.325 0.335 -8.762 118 HG LEU 16 HG LEU 16 -7.566 0.992 -6.358 119 HD11 LEU 16 1HD1 LEU 16 -8.559 3.399 -6.998 120 HD12 LEU 16 2HD1 LEU 16 -9.991 2.668 -6.275 121 HD13 LEU 16 3HD1 LEU 16 -8.497 2.782 -5.347 122 HD21 LEU 16 3HD2 LEU 16 -9.276 -0.710 -7.033 123 HD22 LEU 16 1HD2 LEU 16 -9.562 0.049 -5.468 124 HD23 LEU 16 2HD2 LEU 16 -10.500 0.550 -6.875 125 H ARG 17 HN ARG 17 -6.748 -0.504 -9.524 126 HA ARG 17 HA ARG 17 -4.989 -1.658 -7.728 127 HB2 ARG 17 2HB ARG 17 -4.561 -3.367 -9.498 128 HB3 ARG 17 3HB ARG 17 -6.266 -3.040 -9.221 129 HG2 ARG 17 2HG ARG 17 -6.442 -1.784 -11.221 130 HG3 ARG 17 3HG ARG 17 -4.691 -1.751 -11.431 131 HD2 ARG 17 2HD ARG 17 -6.215 -4.333 -11.366 132 HD3 ARG 17 3HD ARG 17 -6.056 -3.399 -12.853 133 HE ARG 17 HE ARG 17 -4.038 -4.989 -11.589 134 HH11 ARG 17 2HH1 ARG 17 -4.590 -2.224 -13.647 135 HH12 ARG 17 1HH1 ARG 17 -3.038 -2.326 -14.410 136 HH21 ARG 17 2HH2 ARG 17 -1.996 -5.122 -12.592 137 HH22 ARG 17 1HH2 ARG 17 -1.567 -3.970 -13.812 138 H GLU 18 HN GLU 18 -4.287 0.063 -10.722 139 HA GLU 18 HA GLU 18 -1.530 -0.479 -10.826 140 HB2 GLU 18 2HB GLU 18 -3.339 1.550 -12.045 141 HB3 GLU 18 3HB GLU 18 -1.607 1.843 -12.111 142 HG2 GLU 18 2HG GLU 18 -1.249 0.210 -13.613 143 HG3 GLU 18 3HG GLU 18 -2.470 -0.851 -12.915 144 H PHE 19 HN PHE 19 -3.215 2.455 -9.654 145 HA PHE 19 HA PHE 19 -0.917 3.742 -8.739 146 HB2 PHE 19 2HB PHE 19 -2.321 5.401 -8.111 147 HB3 PHE 19 3HB PHE 19 -3.502 4.467 -9.006 148 HD1 PHE 19 1HD PHE 19 -2.106 4.586 -5.526 149 HD2 PHE 19 2HD PHE 19 -5.520 4.190 -8.027 150 HE1 PHE 19 1HE PHE 19 -3.546 4.500 -3.536 151 HE2 PHE 19 2HE PHE 19 -6.968 4.096 -6.042 152 HZ PHE 19 HZ PHE 19 -5.984 4.254 -3.794 153 H VAL 20 HN VAL 20 -3.165 1.618 -6.978 154 HA VAL 20 HA VAL 20 -1.895 1.853 -4.468 155 HB VAL 20 HB VAL 20 -3.307 -0.642 -5.390 156 HG11 VAL 20 1HG1 VAL 20 -3.531 -1.161 -3.201 157 HG12 VAL 20 2HG1 VAL 20 -2.097 -0.147 -3.056 158 HG13 VAL 20 3HG1 VAL 20 -3.689 0.523 -2.703 159 HG21 VAL 20 3HG2 VAL 20 -5.209 0.463 -5.707 160 HG22 VAL 20 1HG2 VAL 20 -5.117 1.101 -4.065 161 HG23 VAL 20 2HG2 VAL 20 -4.383 1.990 -5.398 162 H THR 21 HN THR 21 -1.610 -0.642 -6.990 163 HA THR 21 HA THR 21 0.407 -2.137 -5.717 164 HB THR 21 HB THR 21 -0.144 -1.886 -8.682 165 HG1 THR 21 1HG THR 21 -1.262 -3.556 -6.690 166 HG21 THR 21 3HG2 THR 21 1.990 -3.108 -7.746 167 HG22 THR 21 1HG2 THR 21 1.041 -3.783 -9.070 168 HG23 THR 21 2HG2 THR 21 0.822 -4.392 -7.429 169 H ALA 22 HN ALA 22 0.506 0.589 -7.939 170 HA ALA 22 HA ALA 22 3.189 0.627 -8.615 171 HB1 ALA 22 1HB ALA 22 1.191 2.831 -8.222 172 HB2 ALA 22 2HB ALA 22 2.853 3.169 -8.704 173 HB3 ALA 22 3HB ALA 22 1.826 2.165 -9.726 174 H LYS 23 HN LYS 23 1.607 1.834 -5.696 175 HA LYS 23 HA LYS 23 3.909 3.055 -4.579 176 HB2 LYS 23 2HB LYS 23 1.559 1.931 -3.051 177 HB3 LYS 23 3HB LYS 23 2.645 3.219 -2.548 178 HG2 LYS 23 2HG LYS 23 1.264 3.746 -5.070 179 HG3 LYS 23 3HG LYS 23 0.194 3.576 -3.677 180 HD2 LYS 23 2HD LYS 23 0.909 5.495 -2.737 181 HD3 LYS 23 3HD LYS 23 2.586 5.223 -3.216 182 HE2 LYS 23 2HE LYS 23 1.493 5.686 -5.624 183 HE3 LYS 23 3HE LYS 23 0.413 6.651 -4.618 184 HZ1 LYS 23 3HZ LYS 23 2.528 7.731 -5.559 185 HZ2 LYS 23 1HZ LYS 23 3.335 6.898 -4.328 186 HZ3 LYS 23 2HZ LYS 23 2.129 8.018 -3.941 187 H PHE 24 HN PHE 24 2.301 -0.053 -3.884 188 HA PHE 24 HA PHE 24 4.098 -1.048 -2.031 189 HB2 PHE 24 2HB PHE 24 2.128 -2.217 -3.892 190 HB3 PHE 24 3HB PHE 24 3.393 -3.319 -3.358 191 HD1 PHE 24 2HD PHE 24 3.731 -3.670 -0.892 192 HD2 PHE 24 1HD PHE 24 0.344 -1.644 -2.485 193 HE1 PHE 24 2HE PHE 24 2.527 -4.029 1.222 194 HE2 PHE 24 1HE PHE 24 -0.866 -2.001 -0.373 195 HZ PHE 24 HZ PHE 24 0.225 -3.195 1.483 196 H ALA 25 HN ALA 25 4.215 -1.249 -5.566 197 HA ALA 25 HA ALA 25 6.453 -2.864 -5.858 198 HB1 ALA 25 1HB ALA 25 6.744 -1.245 -7.977 199 HB2 ALA 25 2HB ALA 25 5.521 -2.513 -7.892 200 HB3 ALA 25 3HB ALA 25 5.088 -0.843 -7.526 201 H LYS 26 HN LYS 26 6.322 0.704 -5.721 202 HA LYS 26 HA LYS 26 9.029 1.230 -5.898 203 HB2 LYS 26 2HB LYS 26 6.667 2.668 -5.186 204 HB3 LYS 26 3HB LYS 26 7.915 3.047 -4.006 205 HG2 LYS 26 2HG LYS 26 9.280 3.229 -6.369 206 HG3 LYS 26 3HG LYS 26 7.679 3.824 -6.808 207 HD2 LYS 26 2HD LYS 26 8.413 5.789 -6.008 208 HD3 LYS 26 3HD LYS 26 8.105 5.079 -4.422 209 HE2 LYS 26 2HE LYS 26 10.338 4.624 -4.045 210 HE3 LYS 26 3HE LYS 26 10.732 4.614 -5.763 211 HZ1 LYS 26 3HZ LYS 26 11.307 6.636 -4.147 212 HZ2 LYS 26 1HZ LYS 26 9.783 7.140 -4.684 213 HZ3 LYS 26 2HZ LYS 26 11.014 6.836 -5.801 214 H LEU 27 HN LEU 27 7.191 -0.035 -3.232 215 HA LEU 27 HA LEU 27 9.283 0.409 -1.287 216 HB2 LEU 27 2HB LEU 27 6.610 -0.942 -1.257 217 HB3 LEU 27 3HB LEU 27 7.750 -1.236 0.043 218 HG LEU 27 HG LEU 27 7.828 1.355 0.240 219 HD11 LEU 27 1HD1 LEU 27 5.171 0.992 -1.136 220 HD12 LEU 27 2HD1 LEU 27 5.796 2.483 -0.431 221 HD13 LEU 27 3HD1 LEU 27 6.585 1.776 -1.841 222 HD21 LEU 27 3HD2 LEU 27 5.698 1.261 1.636 223 HD22 LEU 27 1HD2 LEU 27 5.568 -0.420 1.113 224 HD23 LEU 27 2HD2 LEU 27 6.973 0.111 2.037 225 H GLU 28 HN GLU 28 8.225 -2.104 -3.439 226 HA GLU 28 HA GLU 28 9.527 -4.304 -2.283 227 HB2 GLU 28 2HB GLU 28 8.261 -3.666 -4.844 228 HB3 GLU 28 3HB GLU 28 9.576 -4.825 -4.987 229 HG2 GLU 28 2HG GLU 28 8.503 -6.229 -3.286 230 HG3 GLU 28 3HG GLU 28 7.173 -5.076 -3.192 231 H GLN 29 HN GLN 29 10.845 -1.543 -3.760 232 HA GLN 29 HA GLN 29 13.172 -2.730 -4.905 233 HB2 GLN 29 2HB GLN 29 12.275 -0.499 -5.561 234 HB3 GLN 29 3HB GLN 29 12.767 0.123 -3.991 235 HG2 GLN 29 2HG GLN 29 14.956 -1.206 -5.316 236 HG3 GLN 29 3HG GLN 29 14.271 0.065 -6.327 237 HE21 GLN 29 1HE2 GLN 29 16.861 0.012 -5.097 238 HE22 GLN 29 2HE2 GLN 29 16.942 1.368 -4.030 239 H TYR 30 HN TYR 30 12.626 -0.863 -1.919 240 HA TYR 30 HA TYR 30 15.219 -1.750 -0.918 241 HB2 TYR 30 2HB TYR 30 14.432 -0.219 1.083 242 HB3 TYR 30 3HB TYR 30 15.077 0.479 -0.397 243 HD1 TYR 30 1HD TYR 30 11.942 -0.257 1.433 244 HD2 TYR 30 2HD TYR 30 13.763 1.909 -1.741 245 HE1 TYR 30 1HE TYR 30 9.894 1.080 1.177 246 HE2 TYR 30 2HE TYR 30 11.722 3.251 -2.007 247 HH TYR 30 HH TYR 30 9.418 3.551 0.200 248 H PHE 31 HN PHE 31 11.849 -2.415 -0.499 249 HA PHE 31 HA PHE 31 12.409 -3.963 1.933 250 HB2 PHE 31 2HB PHE 31 9.785 -3.143 0.670 251 HB3 PHE 31 3HB PHE 31 9.916 -4.177 2.086 252 HD1 PHE 31 1HD PHE 31 12.341 -2.558 3.229 253 HD2 PHE 31 2HD PHE 31 8.479 -1.483 1.809 254 HE1 PHE 31 1HE PHE 31 12.369 -0.571 4.675 255 HE2 PHE 31 2HE PHE 31 8.499 0.508 3.250 256 HZ PHE 31 HZ PHE 31 10.446 0.967 4.685 257 H ASP 32 HN ASP 32 12.831 -6.043 1.722 258 HA ASP 32 HA ASP 32 11.835 -7.455 -0.657 259 HB2 ASP 32 2HB ASP 32 14.364 -7.535 0.836 260 HB3 ASP 32 3HB ASP 32 13.720 -9.121 0.427 261 H ARG 33 HN ARG 33 11.076 -7.062 2.516 262 HA ARG 33 HA ARG 33 10.438 -9.846 3.073 263 HB2 ARG 33 2HB ARG 33 9.725 -7.467 4.778 264 HB3 ARG 33 3HB ARG 33 9.897 -9.145 5.274 265 HG2 ARG 33 2HG ARG 33 12.375 -8.739 4.399 266 HG3 ARG 33 3HG ARG 33 11.962 -7.076 4.819 267 HD2 ARG 33 2HD ARG 33 11.572 -7.628 7.070 268 HD3 ARG 33 3HD ARG 33 11.498 -9.355 6.719 269 HE ARG 33 HE ARG 33 13.838 -7.809 7.253 270 HH11 ARG 33 2HH1 ARG 33 12.647 -10.589 5.513 271 HH12 ARG 33 1HH1 ARG 33 14.182 -11.387 5.486 272 HH21 ARG 33 2HH2 ARG 33 15.861 -8.857 7.218 273 HH22 ARG 33 1HH2 ARG 33 16.007 -10.404 6.454 274 H ILE 34 HN ILE 34 9.076 -9.161 0.879 275 HA ILE 34 HA ILE 34 6.315 -9.042 1.854 276 HB ILE 34 HB ILE 34 7.223 -7.516 -0.586 277 HG12 ILE 34 2HG1 ILE 34 6.348 -5.631 1.190 278 HG13 ILE 34 3HG1 ILE 34 7.153 -6.769 2.265 279 HG21 ILE 34 1HG2 ILE 34 5.063 -6.968 -0.944 280 HG22 ILE 34 2HG2 ILE 34 4.766 -8.468 -0.065 281 HG23 ILE 34 3HG2 ILE 34 4.675 -6.919 0.776 282 HD11 ILE 34 3HD1 ILE 34 8.678 -6.090 -0.137 283 HD12 ILE 34 1HD1 ILE 34 8.372 -4.738 0.952 284 HD13 ILE 34 2HD1 ILE 34 9.186 -6.183 1.548 285 H ASN 35 HN ASN 35 5.445 -10.923 1.277 286 HA ASN 35 HA ASN 35 6.158 -12.054 -1.349 287 HB2 ASN 35 2HB ASN 35 5.279 -14.232 -0.270 288 HB3 ASN 35 3HB ASN 35 6.862 -13.642 0.222 289 HD21 ASN 35 1HD2 ASN 35 4.270 -15.071 1.392 290 HD22 ASN 35 2HD2 ASN 35 4.218 -14.421 2.991 291 H GLN 36 HN GLN 36 3.459 -11.997 0.990 292 HA GLN 36 HA GLN 36 1.620 -11.799 -1.300 293 HB2 GLN 36 2HB GLN 36 1.606 -14.057 -0.177 294 HB3 GLN 36 3HB GLN 36 1.014 -13.258 1.273 295 HG2 GLN 36 2HG GLN 36 -1.037 -13.571 0.510 296 HG3 GLN 36 3HG GLN 36 -0.682 -12.397 -0.756 297 HE21 GLN 36 1HE2 GLN 36 -1.764 -13.273 -2.424 298 HE22 GLN 36 2HE2 GLN 36 -1.444 -14.835 -3.089 299 H VAL 37 HN VAL 37 0.620 -9.900 -1.287 300 HA VAL 37 HA VAL 37 -0.048 -8.691 1.319 301 HB VAL 37 HB VAL 37 0.535 -7.153 -1.209 302 HG11 VAL 37 1HG1 VAL 37 -0.769 -6.395 1.096 303 HG12 VAL 37 2HG1 VAL 37 0.878 -5.822 1.354 304 HG13 VAL 37 3HG1 VAL 37 -0.018 -5.314 -0.077 305 HG21 VAL 37 3HG2 VAL 37 2.622 -6.541 0.333 306 HG22 VAL 37 1HG2 VAL 37 2.352 -8.195 0.882 307 HG23 VAL 37 2HG2 VAL 37 2.652 -7.870 -0.825 308 H TYR 38 HN TYR 38 -2.105 -8.068 1.635 309 HA TYR 38 HA TYR 38 -3.903 -7.989 -0.683 310 HB2 TYR 38 2HB TYR 38 -5.656 -8.881 1.079 311 HB3 TYR 38 3HB TYR 38 -4.640 -9.990 0.167 312 HD1 TYR 38 1HD TYR 38 -2.336 -10.581 1.356 313 HD2 TYR 38 2HD TYR 38 -5.815 -9.168 3.359 314 HE1 TYR 38 1HE TYR 38 -1.520 -11.563 3.456 315 HE2 TYR 38 2HE TYR 38 -5.006 -10.145 5.465 316 HH TYR 38 HH TYR 38 -2.851 -12.418 5.729 317 H VAL 39 HN VAL 39 -5.003 -6.180 -0.846 318 HA VAL 39 HA VAL 39 -5.333 -4.501 1.558 319 HB VAL 39 HB VAL 39 -5.047 -3.402 -1.232 320 HG11 VAL 39 1HG1 VAL 39 -4.429 -1.984 1.328 321 HG12 VAL 39 2HG1 VAL 39 -4.865 -1.313 -0.242 322 HG13 VAL 39 3HG1 VAL 39 -6.089 -2.105 0.749 323 HG21 VAL 39 3HG2 VAL 39 -2.853 -3.639 0.823 324 HG22 VAL 39 1HG2 VAL 39 -3.014 -4.677 -0.594 325 HG23 VAL 39 2HG2 VAL 39 -2.726 -2.948 -0.796 326 H VAL 40 HN VAL 40 -7.245 -3.345 1.786 327 HA VAL 40 HA VAL 40 -9.337 -3.721 -0.223 328 HB VAL 40 HB VAL 40 -9.839 -4.310 2.701 329 HG11 VAL 40 1HG1 VAL 40 -11.663 -5.280 0.603 330 HG12 VAL 40 2HG1 VAL 40 -12.015 -4.575 2.180 331 HG13 VAL 40 3HG1 VAL 40 -11.613 -3.531 0.817 332 HG21 VAL 40 3HG2 VAL 40 -9.543 -6.276 0.431 333 HG22 VAL 40 1HG2 VAL 40 -8.371 -6.021 1.723 334 HG23 VAL 40 2HG2 VAL 40 -9.971 -6.662 2.097 335 H LEU 41 HN LEU 41 -10.607 -2.019 -0.462 336 HA LEU 41 HA LEU 41 -10.530 0.089 1.574 337 HB2 LEU 41 2HB LEU 41 -10.658 1.637 -0.555 338 HB3 LEU 41 3HB LEU 41 -9.125 1.092 0.099 339 HG LEU 41 HG LEU 41 -9.214 0.952 -2.357 340 HD11 LEU 41 1HD1 LEU 41 -9.103 -1.884 -1.747 341 HD12 LEU 41 2HD1 LEU 41 -7.850 -0.796 -2.342 342 HD13 LEU 41 3HD1 LEU 41 -8.194 -0.881 -0.615 343 HD21 LEU 41 3HD2 LEU 41 -11.709 0.366 -2.339 344 HD22 LEU 41 1HD2 LEU 41 -10.680 -0.408 -3.542 345 HD23 LEU 41 2HD2 LEU 41 -11.171 -1.294 -2.100 346 H LYS 42 HN LYS 42 -12.434 0.885 2.133 347 HA LYS 42 HA LYS 42 -14.769 0.186 0.486 348 HB2 LYS 42 2HB LYS 42 -14.873 -0.791 2.698 349 HB3 LYS 42 3HB LYS 42 -14.557 0.769 3.444 350 HG2 LYS 42 2HG LYS 42 -16.713 1.569 2.419 351 HG3 LYS 42 3HG LYS 42 -17.032 -0.113 1.986 352 HD2 LYS 42 2HD LYS 42 -18.131 0.476 4.085 353 HD3 LYS 42 3HD LYS 42 -16.887 -0.747 4.345 354 HE2 LYS 42 2HE LYS 42 -15.390 0.844 5.265 355 HE3 LYS 42 3HE LYS 42 -16.390 2.195 4.731 356 HZ1 LYS 42 3HZ LYS 42 -16.954 2.051 6.929 357 HZ2 LYS 42 1HZ LYS 42 -16.788 0.367 6.995 358 HZ3 LYS 42 2HZ LYS 42 -18.145 1.056 6.257 359 H VAL 43 HN VAL 43 -16.130 1.736 -0.236 360 HA VAL 43 HA VAL 43 -15.449 4.523 0.442 361 HB VAL 43 HB VAL 43 -16.639 3.572 -2.163 362 HG11 VAL 43 1HG1 VAL 43 -15.730 5.877 -2.860 363 HG12 VAL 43 2HG1 VAL 43 -17.215 5.813 -1.909 364 HG13 VAL 43 3HG1 VAL 43 -15.685 6.219 -1.130 365 HG21 VAL 43 3HG2 VAL 43 -13.773 4.261 -1.517 366 HG22 VAL 43 1HG2 VAL 43 -14.398 2.666 -1.939 367 HG23 VAL 43 2HG2 VAL 43 -14.413 3.964 -3.134 368 H GLU 44 HN GLU 44 -16.967 5.490 1.594 369 HA GLU 44 HA GLU 44 -19.778 5.001 0.933 370 HB2 GLU 44 2HB GLU 44 -20.223 5.165 3.466 371 HB3 GLU 44 3HB GLU 44 -19.614 3.644 2.829 372 HG2 GLU 44 2HG GLU 44 -17.355 4.259 3.540 373 HG3 GLU 44 3HG GLU 44 -17.985 5.768 4.198 374 H LYS 45 HN LYS 45 -21.199 6.717 1.491 375 HA LYS 45 HA LYS 45 -20.280 9.257 0.919 376 HB2 LYS 45 2HB LYS 45 -22.664 8.387 0.858 377 HB3 LYS 45 3HB LYS 45 -22.730 8.710 2.584 378 HG2 LYS 45 2HG LYS 45 -21.908 11.096 1.813 379 HG3 LYS 45 3HG LYS 45 -22.665 10.599 0.297 380 HD2 LYS 45 2HD LYS 45 -24.773 10.483 1.236 381 HD3 LYS 45 3HD LYS 45 -24.145 10.259 2.870 382 HE2 LYS 45 2HE LYS 45 -24.954 12.440 2.898 383 HE3 LYS 45 3HE LYS 45 -23.225 12.647 2.615 384 HZ1 LYS 45 3HZ LYS 45 -23.965 13.956 0.960 385 HZ2 LYS 45 1HZ LYS 45 -25.471 13.190 0.856 386 HZ3 LYS 45 2HZ LYS 45 -24.116 12.498 0.117 387 H VAL 46 HN VAL 46 -20.037 7.588 3.914 388 HA VAL 46 HA VAL 46 -19.809 10.043 5.453 389 HB VAL 46 HB VAL 46 -19.092 8.177 7.254 390 HG11 VAL 46 1HG1 VAL 46 -20.855 9.756 7.598 391 HG12 VAL 46 2HG1 VAL 46 -21.879 8.949 6.410 392 HG13 VAL 46 3HG1 VAL 46 -21.488 8.143 7.928 393 HG21 VAL 46 3HG2 VAL 46 -20.118 6.111 6.960 394 HG22 VAL 46 1HG2 VAL 46 -21.143 6.695 5.649 395 HG23 VAL 46 2HG2 VAL 46 -19.421 6.440 5.374 396 H THR 47 HN THR 47 -17.719 7.217 5.863 397 HA THR 47 HA THR 47 -15.398 8.931 5.274 398 HB THR 47 HB THR 47 -15.620 6.976 7.571 399 HG1 THR 47 1HG THR 47 -15.536 8.871 8.839 400 HG21 THR 47 3HG2 THR 47 -13.499 7.804 8.319 401 HG22 THR 47 1HG2 THR 47 -13.413 8.924 6.961 402 HG23 THR 47 2HG2 THR 47 -13.332 7.187 6.676 403 H HIS 48 HN HIS 48 -13.484 7.840 4.595 404 HA HIS 48 HA HIS 48 -14.067 5.334 3.203 405 HB2 HIS 48 2HB HIS 48 -11.745 7.253 2.929 406 HB3 HIS 48 3HB HIS 48 -11.970 5.798 1.963 407 HD1 HIS 48 1HD HIS 48 -12.657 6.515 -0.296 408 HD2 HIS 48 2HD HIS 48 -14.512 8.766 2.664 409 HE1 HIS 48 1HE HIS 48 -14.221 8.066 -1.511 410 HE2 HIS 48 2HE HIS 48 -15.393 9.360 0.306 411 H THR 49 HN THR 49 -12.956 3.449 3.557 412 HA THR 49 HA THR 49 -10.939 3.481 5.704 413 HB THR 49 HB THR 49 -13.111 1.411 5.333 414 HG1 THR 49 1HG THR 49 -14.005 2.287 7.161 415 HG21 THR 49 3HG2 THR 49 -12.389 0.532 7.486 416 HG22 THR 49 1HG2 THR 49 -11.047 1.677 7.504 417 HG23 THR 49 2HG2 THR 49 -11.112 0.414 6.275 418 H SER 50 HN SER 50 -9.117 2.412 5.301 419 HA SER 50 HA SER 50 -9.067 0.426 3.135 420 HB2 SER 50 2HB SER 50 -6.940 1.349 2.310 421 HB3 SER 50 3HB SER 50 -8.228 2.550 2.213 422 HG SER 50 HG SER 50 -7.418 3.408 4.204 423 H ASP 51 HN ASP 51 -7.648 -1.283 3.432 424 HA ASP 51 HA ASP 51 -6.027 -1.261 5.881 425 HB2 ASP 51 2HB ASP 51 -6.760 -3.516 6.443 426 HB3 ASP 51 3HB ASP 51 -8.153 -2.445 6.337 427 H ALA 52 HN ALA 52 -4.182 -2.612 5.842 428 HA ALA 52 HA ALA 52 -3.585 -4.020 3.364 429 HB1 ALA 52 1HB ALA 52 -1.733 -2.799 2.730 430 HB2 ALA 52 2HB ALA 52 -2.842 -1.537 3.268 431 HB3 ALA 52 3HB ALA 52 -1.536 -2.072 4.324 432 H THR 53 HN THR 53 -3.058 -5.951 4.063 433 HA THR 53 HA THR 53 -1.453 -6.231 6.507 434 HB THR 53 HB THR 53 -2.762 -8.512 5.064 435 HG1 THR 53 1HG THR 53 -4.599 -8.124 6.394 436 HG21 THR 53 3HG2 THR 53 -1.470 -9.326 6.817 437 HG22 THR 53 1HG2 THR 53 -3.100 -9.243 7.484 438 HG23 THR 53 2HG2 THR 53 -1.920 -7.998 7.887 439 H LEU 54 HN LEU 54 0.669 -6.352 6.155 440 HA LEU 54 HA LEU 54 1.636 -7.577 3.677 441 HB2 LEU 54 2HB LEU 54 2.811 -5.657 5.648 442 HB3 LEU 54 3HB LEU 54 3.871 -6.599 4.617 443 HG LEU 54 HG LEU 54 2.317 -5.642 2.704 444 HD11 LEU 54 1HD1 LEU 54 1.648 -4.037 5.070 445 HD12 LEU 54 2HD1 LEU 54 2.047 -3.114 3.621 446 HD13 LEU 54 3HD1 LEU 54 0.744 -4.302 3.579 447 HD21 LEU 54 3HD2 LEU 54 4.482 -5.071 2.388 448 HD22 LEU 54 1HD2 LEU 54 3.904 -3.495 2.931 449 HD23 LEU 54 2HD2 LEU 54 4.712 -4.577 4.066 450 H HIS 55 HN HIS 55 3.142 -9.223 3.655 451 HA HIS 55 HA HIS 55 3.332 -10.759 6.157 452 HB2 HIS 55 2HB HIS 55 3.253 -11.530 3.268 453 HB3 HIS 55 3HB HIS 55 4.074 -12.589 4.411 454 HD1 HIS 55 1HD HIS 55 2.635 -14.158 5.717 455 HD2 HIS 55 2HD HIS 55 0.437 -11.121 3.922 456 HE1 HIS 55 1HE HIS 55 0.223 -14.749 6.112 457 HE2 HIS 55 2HE HIS 55 -1.089 -12.944 4.941 458 H VAL 56 HN VAL 56 5.272 -11.272 7.036 459 HA VAL 56 HA VAL 56 7.708 -10.751 5.494 460 HB VAL 56 HB VAL 56 8.732 -9.606 7.457 461 HG11 VAL 56 1HG1 VAL 56 6.659 -8.522 5.706 462 HG12 VAL 56 2HG1 VAL 56 6.960 -7.549 7.147 463 HG13 VAL 56 3HG1 VAL 56 8.283 -7.927 6.046 464 HG21 VAL 56 3HG2 VAL 56 5.926 -9.821 8.490 465 HG22 VAL 56 1HG2 VAL 56 7.438 -10.238 9.294 466 HG23 VAL 56 2HG2 VAL 56 7.013 -8.546 9.040 467 H ASN 57 HN ASN 57 8.891 -12.530 5.576 468 HA ASN 57 HA ASN 57 9.593 -14.620 6.207 469 HB2 ASN 57 2HB ASN 57 10.316 -12.722 8.400 470 HB3 ASN 57 3HB ASN 57 10.689 -14.432 8.596 471 HD21 ASN 57 1HD2 ASN 57 12.509 -15.161 7.746 472 HD22 ASN 57 2HD2 ASN 57 13.491 -14.326 6.597 473 H GLY 58 HN GLY 58 8.902 -13.954 9.573 474 HA2 GLY 58 2HA GLY 58 6.767 -15.997 9.467 475 HA3 GLY 58 3HA GLY 58 7.956 -15.927 10.758 476 H GLY 59 HN GLY 59 6.414 -13.111 9.343 477 HA2 GLY 59 2HA GLY 59 4.671 -12.852 11.687 478 HA3 GLY 59 3HA GLY 59 5.826 -11.568 11.360 479 H GLU 60 HN GLU 60 3.012 -11.224 11.455 480 HA GLU 60 HA GLU 60 2.578 -10.299 8.707 481 HB2 GLU 60 2HB GLU 60 0.560 -11.812 10.372 482 HB3 GLU 60 3HB GLU 60 0.191 -10.988 8.863 483 HG2 GLU 60 2HG GLU 60 0.586 -12.958 7.907 484 HG3 GLU 60 3HG GLU 60 2.290 -12.569 8.138 485 H ILE 61 HN ILE 61 2.254 -8.191 8.734 486 HA ILE 61 HA ILE 61 1.163 -6.937 11.157 487 HB ILE 61 HB ILE 61 2.407 -5.465 8.847 488 HG12 ILE 61 2HG1 ILE 61 4.278 -5.633 10.957 489 HG13 ILE 61 3HG1 ILE 61 3.721 -7.277 10.658 490 HG21 ILE 61 1HG2 ILE 61 1.043 -4.526 10.966 491 HG22 ILE 61 2HG2 ILE 61 2.675 -4.545 11.634 492 HG23 ILE 61 3HG2 ILE 61 2.337 -3.634 10.162 493 HD11 ILE 61 3HD1 ILE 61 5.179 -7.368 9.000 494 HD12 ILE 61 1HD1 ILE 61 4.180 -6.200 8.134 495 HD13 ILE 61 2HD1 ILE 61 5.524 -5.643 9.131 496 H HIS 62 HN HIS 62 -0.656 -5.641 11.085 497 HA HIS 62 HA HIS 62 -2.022 -5.404 8.495 498 HB2 HIS 62 2HB HIS 62 -2.896 -7.306 9.983 499 HB3 HIS 62 3HB HIS 62 -3.515 -6.037 11.035 500 HD1 HIS 62 1HD HIS 62 -5.784 -7.450 10.217 501 HD2 HIS 62 2HD HIS 62 -4.007 -4.833 7.523 502 HE1 HIS 62 1HE HIS 62 -7.551 -6.952 8.497 503 HE2 HIS 62 2HE HIS 62 -6.422 -5.444 6.826 504 H ALA 63 HN ALA 63 -2.174 -3.296 8.092 505 HA ALA 63 HA ALA 63 -2.961 -1.516 10.310 506 HB1 ALA 63 1HB ALA 63 -0.864 -0.704 9.964 507 HB2 ALA 63 2HB ALA 63 -0.822 -1.219 8.278 508 HB3 ALA 63 3HB ALA 63 -1.720 0.228 8.736 509 H SER 64 HN SER 64 -4.400 0.190 9.804 510 HA SER 64 HA SER 64 -5.535 0.225 7.115 511 HB2 SER 64 2HB SER 64 -7.162 -0.190 9.636 512 HB3 SER 64 3HB SER 64 -7.844 0.168 8.050 513 HG SER 64 HG SER 64 -6.266 -2.096 8.718 514 H ALA 65 HN ALA 65 -5.819 2.265 6.443 515 HA ALA 65 HA ALA 65 -6.022 4.373 8.495 516 HB1 ALA 65 1HB ALA 65 -4.692 5.829 7.156 517 HB2 ALA 65 2HB ALA 65 -3.825 4.303 7.312 518 HB3 ALA 65 3HB ALA 65 -4.681 4.681 5.819 519 H GLU 66 HN GLU 66 -6.997 6.411 7.677 520 HA GLU 66 HA GLU 66 -9.111 5.866 5.697 521 HB2 GLU 66 2HB GLU 66 -10.563 7.401 7.009 522 HB3 GLU 66 3HB GLU 66 -10.119 5.945 7.889 523 HG2 GLU 66 2HG GLU 66 -9.457 7.233 9.556 524 HG3 GLU 66 3HG GLU 66 -8.147 7.809 8.526 525 H GLY 67 HN GLY 67 -9.722 7.584 4.338 526 HA2 GLY 67 2HA GLY 67 -8.204 10.073 4.531 527 HA3 GLY 67 3HA GLY 67 -7.946 9.097 3.094 528 H GLN 68 HN GLN 68 -8.953 11.757 3.147 529 HA GLN 68 HA GLN 68 -11.715 11.987 2.991 530 HB2 GLN 68 2HB GLN 68 -10.066 13.866 2.995 531 HB3 GLN 68 3HB GLN 68 -9.710 13.499 1.313 532 HG2 GLN 68 2HG GLN 68 -11.220 15.257 1.201 533 HG3 GLN 68 3HG GLN 68 -12.209 13.830 0.901 534 HE21 GLN 68 1HE2 GLN 68 -11.363 16.296 3.221 535 HE22 GLN 68 2HE2 GLN 68 -12.746 16.094 4.236 536 H ASP 69 HN ASP 69 -9.591 10.335 0.864 537 HA ASP 69 HA ASP 69 -11.819 9.697 -0.874 538 HB2 ASP 69 2HB ASP 69 -10.281 10.121 -2.908 539 HB3 ASP 69 3HB ASP 69 -11.073 11.506 -2.164 540 H MET 70 HN MET 70 -11.014 8.066 -2.610 541 HA MET 70 HA MET 70 -9.948 5.843 -1.250 542 HB2 MET 70 2HB MET 70 -11.492 5.753 -3.218 543 HB3 MET 70 3HB MET 70 -10.137 6.218 -4.240 544 HG2 MET 70 2HG MET 70 -9.777 4.047 -4.492 545 HG3 MET 70 3HG MET 70 -9.136 4.079 -2.851 546 HE1 MET 70 3HE MET 70 -11.672 2.518 -5.207 547 HE2 MET 70 1HE MET 70 -10.367 1.577 -4.484 548 HE3 MET 70 2HE MET 70 -12.046 1.185 -4.114 549 H TYR 71 HN TYR 71 -8.404 8.464 -2.816 550 HA TYR 71 HA TYR 71 -5.933 6.996 -3.296 551 HB2 TYR 71 2HB TYR 71 -6.647 9.905 -3.728 552 HB3 TYR 71 3HB TYR 71 -5.102 9.177 -4.154 553 HD1 TYR 71 1HD TYR 71 -5.430 6.915 -5.622 554 HD2 TYR 71 2HD TYR 71 -8.132 10.195 -5.456 555 HE1 TYR 71 1HE TYR 71 -6.335 6.271 -7.816 556 HE2 TYR 71 2HE TYR 71 -9.047 9.560 -7.649 557 HH TYR 71 HH TYR 71 -9.205 7.657 -9.097 558 H ALA 72 HN ALA 72 -7.229 9.459 -1.134 559 HA ALA 72 HA ALA 72 -4.805 10.092 0.172 560 HB1 ALA 72 1HB ALA 72 -7.651 10.649 0.567 561 HB2 ALA 72 2HB ALA 72 -6.707 10.606 2.055 562 HB3 ALA 72 3HB ALA 72 -6.250 11.704 0.752 563 H ALA 73 HN ALA 73 -7.409 7.816 0.970 564 HA ALA 73 HA ALA 73 -6.478 6.915 3.422 565 HB1 ALA 73 1HB ALA 73 -7.896 5.042 3.155 566 HB2 ALA 73 2HB ALA 73 -8.678 6.373 2.305 567 HB3 ALA 73 3HB ALA 73 -7.810 5.136 1.396 568 H ILE 74 HN ILE 74 -5.459 6.054 0.182 569 HA ILE 74 HA ILE 74 -3.808 3.858 1.057 570 HB ILE 74 HB ILE 74 -3.877 5.275 -1.610 571 HG12 ILE 74 2HG1 ILE 74 -6.005 4.199 -1.073 572 HG13 ILE 74 3HG1 ILE 74 -5.176 3.316 -2.351 573 HG21 ILE 74 1HG2 ILE 74 -2.927 2.823 -2.162 574 HG22 ILE 74 2HG2 ILE 74 -1.893 4.213 -1.828 575 HG23 ILE 74 3HG2 ILE 74 -2.252 3.052 -0.548 576 HD11 ILE 74 3HD1 ILE 74 -5.329 1.463 -1.168 577 HD12 ILE 74 1HD1 ILE 74 -4.394 2.200 0.132 578 HD13 ILE 74 2HD1 ILE 74 -6.151 2.347 0.116 579 H ASP 75 HN ASP 75 -3.420 7.269 0.469 580 HA ASP 75 HA ASP 75 -0.604 7.329 0.255 581 HB2 ASP 75 2HB ASP 75 -2.329 9.189 -0.265 582 HB3 ASP 75 3HB ASP 75 -2.220 9.567 1.452 583 H GLY 76 HN GLY 76 -2.736 8.020 3.031 584 HA2 GLY 76 2HA GLY 76 -0.609 8.250 4.897 585 HA3 GLY 76 3HA GLY 76 -2.310 8.040 5.290 586 H LEU 77 HN LEU 77 -2.619 5.543 3.867 587 HA LEU 77 HA LEU 77 -1.791 3.778 5.932 588 HB2 LEU 77 2HB LEU 77 -3.842 3.600 4.405 589 HB3 LEU 77 3HB LEU 77 -2.752 2.931 3.209 590 HG LEU 77 HG LEU 77 -4.129 1.315 4.661 591 HD11 LEU 77 1HD1 LEU 77 -2.153 -0.256 4.828 592 HD12 LEU 77 2HD1 LEU 77 -2.494 0.421 3.236 593 HD13 LEU 77 3HD1 LEU 77 -1.174 1.069 4.205 594 HD21 LEU 77 3HD2 LEU 77 -3.179 0.701 6.791 595 HD22 LEU 77 1HD2 LEU 77 -1.922 1.925 6.620 596 HD23 LEU 77 2HD2 LEU 77 -3.604 2.413 6.811 597 H ILE 78 HN ILE 78 -0.670 4.357 2.626 598 HA ILE 78 HA ILE 78 1.299 2.278 2.712 599 HB ILE 78 HB ILE 78 0.917 4.589 0.807 600 HG12 ILE 78 2HG1 ILE 78 -0.817 2.799 0.818 601 HG13 ILE 78 3HG1 ILE 78 0.053 2.915 -0.709 602 HG21 ILE 78 1HG2 ILE 78 2.455 2.872 -0.579 603 HG22 ILE 78 2HG2 ILE 78 3.099 4.236 0.335 604 HG23 ILE 78 3HG2 ILE 78 3.102 2.620 1.044 605 HD11 ILE 78 3HD1 ILE 78 0.708 0.806 -0.563 606 HD12 ILE 78 1HD1 ILE 78 1.334 1.047 1.068 607 HD13 ILE 78 2HD1 ILE 78 -0.365 0.640 0.826 608 H ASP 79 HN ASP 79 1.148 5.480 3.901 609 HA ASP 79 HA ASP 79 3.971 6.013 3.793 610 HB2 ASP 79 2HB ASP 79 1.947 7.689 3.944 611 HB3 ASP 79 3HB ASP 79 2.126 7.433 5.677 612 H LYS 80 HN LYS 80 1.672 5.277 6.420 613 HA LYS 80 HA LYS 80 3.692 4.995 8.394 614 HB2 LYS 80 2HB LYS 80 1.955 4.194 9.842 615 HB3 LYS 80 3HB LYS 80 1.292 5.503 8.873 616 HG2 LYS 80 2HG LYS 80 0.312 3.771 7.359 617 HG3 LYS 80 3HG LYS 80 0.831 2.553 8.526 618 HD2 LYS 80 2HD LYS 80 -1.425 3.015 9.046 619 HD3 LYS 80 3HD LYS 80 -0.472 3.865 10.262 620 HE2 LYS 80 2HE LYS 80 -0.645 5.834 8.511 621 HE3 LYS 80 3HE LYS 80 -2.083 4.946 8.007 622 HZ1 LYS 80 3HZ LYS 80 -2.083 6.762 9.946 623 HZ2 LYS 80 1HZ LYS 80 -1.798 5.371 10.864 624 HZ3 LYS 80 2HZ LYS 80 -3.173 5.471 9.886 625 H LEU 81 HN LEU 81 2.211 2.796 6.111 626 HA LEU 81 HA LEU 81 3.031 0.376 7.310 627 HB2 LEU 81 2HB LEU 81 2.175 1.199 4.570 628 HB3 LEU 81 3HB LEU 81 2.922 -0.370 4.778 629 HG LEU 81 HG LEU 81 0.305 -0.073 4.863 630 HD11 LEU 81 1HD1 LEU 81 1.083 -1.852 7.027 631 HD12 LEU 81 2HD1 LEU 81 0.329 -2.212 5.475 632 HD13 LEU 81 3HD1 LEU 81 2.080 -2.036 5.585 633 HD21 LEU 81 3HD2 LEU 81 0.690 1.572 6.854 634 HD22 LEU 81 1HD2 LEU 81 -0.652 0.433 6.891 635 HD23 LEU 81 2HD2 LEU 81 0.822 0.090 7.797 636 H ALA 82 HN ALA 82 4.500 2.377 4.759 637 HA ALA 82 HA ALA 82 6.743 0.802 4.257 638 HB1 ALA 82 1HB ALA 82 7.419 2.497 2.936 639 HB2 ALA 82 2HB ALA 82 5.812 3.141 3.268 640 HB3 ALA 82 3HB ALA 82 7.200 3.708 4.198 641 H ARG 83 HN ARG 83 6.515 3.629 6.417 642 HA ARG 83 HA ARG 83 9.040 3.544 7.518 643 HB2 ARG 83 2HB ARG 83 6.470 4.279 8.933 644 HB3 ARG 83 3HB ARG 83 8.091 4.722 9.456 645 HG2 ARG 83 2HG ARG 83 6.919 5.541 6.811 646 HG3 ARG 83 3HG ARG 83 6.819 6.520 8.275 647 HD2 ARG 83 2HD ARG 83 9.333 5.620 6.874 648 HD3 ARG 83 3HD ARG 83 8.677 7.257 6.909 649 HE ARG 83 HE ARG 83 10.271 6.010 8.913 650 HH11 ARG 83 2HH1 ARG 83 7.692 8.311 8.435 651 HH12 ARG 83 1HH1 ARG 83 8.036 9.188 9.888 652 HH21 ARG 83 2HH2 ARG 83 10.727 7.162 10.824 653 HH22 ARG 83 1HH2 ARG 83 9.760 8.537 11.244 654 H GLN 84 HN GLN 84 6.264 1.538 8.246 655 HA GLN 84 HA GLN 84 7.332 0.408 10.642 656 HB2 GLN 84 2HB GLN 84 4.980 -0.039 8.910 657 HB3 GLN 84 3HB GLN 84 5.542 -1.450 9.795 658 HG2 GLN 84 2HG GLN 84 4.989 1.184 11.124 659 HG3 GLN 84 3HG GLN 84 3.756 -0.060 10.905 660 HE21 GLN 84 1HE2 GLN 84 4.996 1.090 13.336 661 HE22 GLN 84 2HE2 GLN 84 5.601 -0.263 14.222 662 H LEU 85 HN LEU 85 7.312 -0.496 7.241 663 HA LEU 85 HA LEU 85 8.408 -3.066 7.502 664 HB2 LEU 85 2HB LEU 85 8.273 -1.060 5.300 665 HB3 LEU 85 3HB LEU 85 9.336 -2.441 5.108 666 HG LEU 85 HG LEU 85 7.047 -3.684 5.871 667 HD11 LEU 85 1HD1 LEU 85 6.311 -1.044 4.797 668 HD12 LEU 85 2HD1 LEU 85 5.447 -2.422 4.116 669 HD13 LEU 85 3HD1 LEU 85 5.415 -2.134 5.855 670 HD21 LEU 85 3HD2 LEU 85 7.156 -4.620 3.821 671 HD22 LEU 85 1HD2 LEU 85 7.213 -3.065 2.993 672 HD23 LEU 85 2HD2 LEU 85 8.673 -3.726 3.730 673 H THR 86 HN THR 86 9.927 0.106 7.204 674 HA THR 86 HA THR 86 12.589 -0.821 6.998 675 HB THR 86 HB THR 86 12.770 1.657 8.221 676 HG1 THR 86 1HG THR 86 10.563 1.808 6.473 677 HG21 THR 86 3HG2 THR 86 13.283 2.548 6.111 678 HG22 THR 86 1HG2 THR 86 12.310 1.336 5.276 679 HG23 THR 86 2HG2 THR 86 13.814 0.867 6.068 680 H LYS 87 HN LYS 87 10.539 0.026 9.737 681 HA LYS 87 HA LYS 87 12.419 0.014 11.775 682 HB2 LYS 87 2HB LYS 87 9.522 -0.244 11.561 683 HB3 LYS 87 3HB LYS 87 10.176 -1.135 12.929 684 HG2 LYS 87 2HG LYS 87 10.298 0.741 14.087 685 HG3 LYS 87 3HG LYS 87 11.430 1.397 12.903 686 HD2 LYS 87 2HD LYS 87 8.940 1.637 11.687 687 HD3 LYS 87 3HD LYS 87 8.648 2.063 13.375 688 HE2 LYS 87 2HE LYS 87 10.711 3.564 13.154 689 HE3 LYS 87 3HE LYS 87 10.536 3.333 11.416 690 HZ1 LYS 87 3HZ LYS 87 8.746 4.660 11.339 691 HZ2 LYS 87 1HZ LYS 87 9.335 5.277 12.800 692 HZ3 LYS 87 2HZ LYS 87 8.115 4.105 12.805 693 H HIS 88 HN HIS 88 10.311 -2.738 10.891 694 HA HIS 88 HA HIS 88 11.796 -4.579 12.461 695 HB2 HIS 88 2HB HIS 88 10.302 -6.225 11.723 696 HB3 HIS 88 3HB HIS 88 9.345 -4.750 11.703 697 HD1 HIS 88 1HD HIS 88 7.944 -4.567 9.689 698 HD2 HIS 88 2HD HIS 88 11.450 -6.662 8.923 699 HE1 HIS 88 1HE HIS 88 7.798 -5.268 7.277 700 HE2 HIS 88 2HE HIS 88 9.964 -6.468 6.817 701 H LYS 89 HN LYS 89 12.253 -3.321 9.303 702 HA LYS 89 HA LYS 89 13.802 -5.548 8.330 703 HB2 LYS 89 2HB LYS 89 12.515 -4.129 6.788 704 HB3 LYS 89 3HB LYS 89 13.508 -2.746 7.233 705 HG2 LYS 89 2HG LYS 89 14.852 -5.183 6.183 706 HG3 LYS 89 3HG LYS 89 13.987 -4.134 5.057 707 HD2 LYS 89 2HD LYS 89 15.683 -2.659 6.913 708 HD3 LYS 89 3HD LYS 89 16.585 -3.800 5.915 709 HE2 LYS 89 2HE LYS 89 15.516 -2.829 3.908 710 HE3 LYS 89 3HE LYS 89 14.717 -1.643 4.939 711 HZ1 LYS 89 3HZ LYS 89 16.638 -0.510 5.283 712 HZ2 LYS 89 1HZ LYS 89 16.993 -1.136 3.752 713 HZ3 LYS 89 2HZ LYS 89 17.625 -1.876 5.136 714 H ASP 90 HN ASP 90 14.398 -2.777 10.255 715 HA ASP 90 HA ASP 90 17.152 -2.425 9.600 716 HB2 ASP 90 2HB ASP 90 15.347 -0.911 10.932 717 HB3 ASP 90 3HB ASP 90 16.220 -1.612 12.290 718 H LYS 91 HN LYS 91 15.429 -4.098 12.213 719 HA LYS 91 HA LYS 91 17.654 -4.905 13.694 720 HB2 LYS 91 2HB LYS 91 16.211 -6.546 14.713 721 HB3 LYS 91 3HB LYS 91 15.292 -5.070 14.453 722 HG2 LYS 91 2HG LYS 91 14.800 -6.464 12.156 723 HG3 LYS 91 3HG LYS 91 14.898 -7.747 13.363 724 HD2 LYS 91 2HD LYS 91 13.277 -5.296 13.919 725 HD3 LYS 91 3HD LYS 91 12.618 -6.571 12.892 726 HE2 LYS 91 2HE LYS 91 11.864 -7.210 14.975 727 HE3 LYS 91 3HE LYS 91 13.353 -8.142 14.831 728 HZ1 LYS 91 3HZ LYS 91 14.488 -6.617 16.217 729 HZ2 LYS 91 1HZ LYS 91 13.030 -6.975 16.999 730 HZ3 LYS 91 2HZ LYS 91 13.213 -5.506 16.182 731 H LEU 92 HN LEU 92 16.242 -6.226 10.782 732 HA LEU 92 HA LEU 92 18.245 -8.384 10.811 733 HB2 LEU 92 2HB LEU 92 15.713 -8.223 9.177 734 HB3 LEU 92 3HB LEU 92 16.813 -9.585 9.263 735 HG LEU 92 HG LEU 92 15.843 -8.847 11.896 736 HD11 LEU 92 1HD1 LEU 92 13.522 -9.773 11.431 737 HD12 LEU 92 2HD1 LEU 92 13.833 -8.111 10.931 738 HD13 LEU 92 3HD1 LEU 92 13.835 -9.405 9.735 739 HD21 LEU 92 3HD2 LEU 92 15.249 -11.247 11.929 740 HD22 LEU 92 1HD2 LEU 92 15.699 -11.353 10.227 741 HD23 LEU 92 2HD2 LEU 92 16.917 -10.955 11.438 742 H LYS 93 HN LYS 93 19.909 -7.024 10.011 743 HA LYS 93 HA LYS 93 19.532 -5.973 7.301 744 HB2 LYS 93 2HB LYS 93 21.567 -5.451 9.452 745 HB3 LYS 93 3HB LYS 93 21.862 -4.973 7.787 746 HG2 LYS 93 2HG LYS 93 20.146 -3.406 7.802 747 HG3 LYS 93 3HG LYS 93 19.360 -4.139 9.201 748 HD2 LYS 93 2HD LYS 93 20.816 -3.177 10.694 749 HD3 LYS 93 3HD LYS 93 22.119 -3.056 9.510 750 HE2 LYS 93 2HE LYS 93 21.193 -1.155 8.515 751 HE3 LYS 93 3HE LYS 93 19.608 -1.438 9.234 752 HZ1 LYS 93 3HZ LYS 93 21.773 -1.042 11.120 753 HZ2 LYS 93 1HZ LYS 93 20.198 -0.423 11.130 754 HZ3 LYS 93 2HZ LYS 93 21.388 0.311 10.180 755 H GLN 94 HN GLN 94 21.829 -6.058 6.088 756 HA GLN 94 HA GLN 94 22.797 -8.834 6.224 757 HB2 GLN 94 2HB GLN 94 22.908 -8.854 3.750 758 HB3 GLN 94 3HB GLN 94 21.265 -8.704 4.355 759 HG2 GLN 94 2HG GLN 94 21.747 -6.137 4.063 760 HG3 GLN 94 3HG GLN 94 22.949 -6.724 2.917 761 HE21 GLN 94 1HE2 GLN 94 19.605 -7.553 3.784 762 HE22 GLN 94 2HE2 GLN 94 19.008 -7.563 2.163 763 H HIS 95 HN HIS 95 24.918 -8.941 6.498 764 HA HIS 95 HA HIS 95 26.542 -6.565 6.051 765 HB2 HIS 95 2HB HIS 95 26.544 -8.386 8.068 766 HB3 HIS 95 3HB HIS 95 27.837 -9.023 7.055 767 HD1 HIS 95 1HD HIS 95 29.788 -7.215 6.484 768 HD2 HIS 95 2HD HIS 95 27.293 -6.337 9.689 769 HE1 HIS 95 1HE HIS 95 31.004 -5.468 7.825 770 HE2 HIS 95 2HE HIS 95 29.512 -5.015 9.804 Start of MODEL 8 1 H1 MET 1 1H MET 1 5.437 -9.537 -4.230 2 H2 MET 1 2H MET 1 6.438 -10.666 -3.412 3 H3 MET 1 3H MET 1 4.731 -10.757 -3.253 4 HA MET 1 HA MET 1 6.101 -11.020 -5.833 5 HB2 MET 1 2HB MET 1 6.161 -12.791 -3.574 6 HB3 MET 1 3HB MET 1 5.225 -13.537 -4.861 7 HG2 MET 1 2HG MET 1 7.034 -13.479 -6.357 8 HG3 MET 1 3HG MET 1 7.940 -12.360 -5.341 9 HE1 MET 1 2HE MET 1 9.391 -15.602 -6.251 10 HE2 MET 1 3HE MET 1 9.693 -13.868 -6.131 11 HE3 MET 1 1HE MET 1 10.396 -14.971 -4.948 12 H GLN 2 HN GLN 2 3.423 -12.361 -3.887 13 HA GLN 2 HA GLN 2 1.656 -11.933 -6.206 14 HB2 GLN 2 2HB GLN 2 1.600 -14.043 -4.051 15 HB3 GLN 2 3HB GLN 2 0.249 -13.756 -5.139 16 HG2 GLN 2 2HG GLN 2 2.448 -14.001 -6.813 17 HG3 GLN 2 3HG GLN 2 2.691 -15.230 -5.572 18 HE21 GLN 2 1HE2 GLN 2 1.796 -15.141 -8.518 19 HE22 GLN 2 2HE2 GLN 2 0.430 -16.200 -8.544 20 H LEU 3 HN LEU 3 0.555 -10.108 -5.872 21 HA LEU 3 HA LEU 3 -0.734 -9.743 -3.248 22 HB2 LEU 3 2HB LEU 3 -0.478 -7.380 -3.416 23 HB3 LEU 3 3HB LEU 3 1.093 -8.109 -3.690 24 HG LEU 3 HG LEU 3 -0.682 -7.249 -5.963 25 HD11 LEU 3 1HD1 LEU 3 0.134 -5.463 -4.153 26 HD12 LEU 3 2HD1 LEU 3 1.593 -5.550 -5.138 27 HD13 LEU 3 3HD1 LEU 3 0.054 -5.109 -5.878 28 HD21 LEU 3 3HD2 LEU 3 0.916 -8.480 -6.981 29 HD22 LEU 3 1HD2 LEU 3 1.850 -6.993 -6.815 30 HD23 LEU 3 2HD2 LEU 3 2.058 -8.300 -5.648 31 H ASN 4 HN ASN 4 -2.840 -8.947 -3.222 32 HA ASN 4 HA ASN 4 -4.185 -8.586 -5.797 33 HB2 ASN 4 2HB ASN 4 -4.353 -10.976 -4.368 34 HB3 ASN 4 3HB ASN 4 -5.842 -10.123 -3.967 35 HD21 ASN 4 1HD2 ASN 4 -7.129 -9.329 -5.778 36 HD22 ASN 4 2HD2 ASN 4 -7.155 -10.244 -7.243 37 H ILE 5 HN ILE 5 -6.269 -7.539 -5.621 38 HA ILE 5 HA ILE 5 -6.566 -6.011 -3.116 39 HB ILE 5 HB ILE 5 -7.348 -4.993 -5.842 40 HG12 ILE 5 2HG1 ILE 5 -4.809 -4.411 -4.299 41 HG13 ILE 5 3HG1 ILE 5 -4.910 -5.366 -5.775 42 HG21 ILE 5 1HG2 ILE 5 -7.419 -2.830 -4.726 43 HG22 ILE 5 2HG2 ILE 5 -8.485 -3.984 -3.926 44 HG23 ILE 5 3HG2 ILE 5 -6.923 -3.583 -3.211 45 HD11 ILE 5 3HD1 ILE 5 -5.782 -2.498 -5.631 46 HD12 ILE 5 1HD1 ILE 5 -4.138 -2.990 -6.043 47 HD13 ILE 5 2HD1 ILE 5 -5.489 -3.479 -7.066 48 H THR 6 HN THR 6 -8.691 -5.458 -2.465 49 HA THR 6 HA THR 6 -10.947 -6.533 -3.920 50 HB THR 6 HB THR 6 -10.556 -7.402 -1.061 51 HG1 THR 6 1HG THR 6 -9.803 -8.764 -3.426 52 HG21 THR 6 3HG2 THR 6 -12.420 -8.619 -1.270 53 HG22 THR 6 1HG2 THR 6 -12.074 -9.057 -2.943 54 HG23 THR 6 2HG2 THR 6 -12.789 -7.488 -2.573 55 H GLY 7 HN GLY 7 -12.402 -4.930 -3.868 56 HA2 GLY 7 2HA GLY 7 -12.401 -3.170 -1.496 57 HA3 GLY 7 3HA GLY 7 -12.790 -2.634 -3.121 58 H ASN 8 HN ASN 8 -14.216 -2.694 -0.441 59 HA ASN 8 HA ASN 8 -16.627 -4.181 -1.193 60 HB2 ASN 8 2HB ASN 8 -17.328 -3.322 1.198 61 HB3 ASN 8 3HB ASN 8 -16.244 -4.697 1.029 62 HD21 ASN 8 1HD2 ASN 8 -15.814 -3.994 3.295 63 HD22 ASN 8 2HD2 ASN 8 -14.555 -2.839 3.542 64 H ASN 9 HN ASN 9 -17.969 -3.071 -2.452 65 HA ASN 9 HA ASN 9 -19.437 -1.455 -3.122 66 HB2 ASN 9 2HB ASN 9 -19.695 -1.145 -0.564 67 HB3 ASN 9 3HB ASN 9 -18.655 0.261 -0.774 68 HD21 ASN 9 1HD2 ASN 9 -20.532 1.410 0.047 69 HD22 ASN 9 2HD2 ASN 9 -21.778 1.875 -1.053 70 H VAL 10 HN VAL 10 -16.786 -1.555 -4.055 71 HA VAL 10 HA VAL 10 -16.531 1.143 -5.067 72 HB VAL 10 HB VAL 10 -15.114 1.240 -3.082 73 HG11 VAL 10 1HG1 VAL 10 -14.599 -1.374 -3.521 74 HG12 VAL 10 2HG1 VAL 10 -13.116 -0.637 -4.129 75 HG13 VAL 10 3HG1 VAL 10 -13.637 -0.334 -2.471 76 HG21 VAL 10 3HG2 VAL 10 -13.000 1.900 -4.192 77 HG22 VAL 10 1HG2 VAL 10 -13.592 1.172 -5.686 78 HG23 VAL 10 2HG2 VAL 10 -14.432 2.556 -4.984 79 H GLU 11 HN GLU 11 -15.814 1.176 -7.140 80 HA GLU 11 HA GLU 11 -15.343 -1.389 -8.410 81 HB2 GLU 11 2HB GLU 11 -16.731 0.772 -9.223 82 HB3 GLU 11 3HB GLU 11 -15.188 1.111 -9.994 83 HG2 GLU 11 2HG GLU 11 -15.259 -1.044 -11.118 84 HG3 GLU 11 3HG GLU 11 -16.786 -1.419 -10.320 85 H ILE 12 HN ILE 12 -13.414 -2.176 -8.918 86 HA ILE 12 HA ILE 12 -11.048 -0.538 -8.487 87 HB ILE 12 HB ILE 12 -11.324 -3.480 -9.119 88 HG12 ILE 12 2HG1 ILE 12 -12.123 -2.624 -6.861 89 HG13 ILE 12 3HG1 ILE 12 -10.900 -3.890 -6.820 90 HG21 ILE 12 1HG2 ILE 12 -9.195 -3.265 -9.810 91 HG22 ILE 12 2HG2 ILE 12 -8.985 -1.707 -9.010 92 HG23 ILE 12 3HG2 ILE 12 -8.834 -3.201 -8.085 93 HD11 ILE 12 3HD1 ILE 12 -10.822 -1.543 -5.424 94 HD12 ILE 12 1HD1 ILE 12 -9.437 -2.580 -5.766 95 HD13 ILE 12 2HD1 ILE 12 -9.782 -1.199 -6.806 96 H THR 13 HN THR 13 -10.681 0.785 -10.187 97 HA THR 13 HA THR 13 -10.798 -0.326 -12.897 98 HB THR 13 HB THR 13 -10.878 1.909 -13.705 99 HG1 THR 13 1HG THR 13 -10.020 2.610 -11.109 100 HG21 THR 13 3HG2 THR 13 -12.441 2.591 -11.347 101 HG22 THR 13 1HG2 THR 13 -12.824 1.008 -12.019 102 HG23 THR 13 2HG2 THR 13 -12.930 2.444 -13.035 103 H GLU 14 HN GLU 14 -9.051 -0.120 -14.343 104 HA GLU 14 HA GLU 14 -6.617 -0.932 -13.673 105 HB2 GLU 14 2HB GLU 14 -7.087 1.211 -15.748 106 HB3 GLU 14 3HB GLU 14 -5.717 0.110 -15.685 107 HG2 GLU 14 2HG GLU 14 -7.765 -1.648 -15.696 108 HG3 GLU 14 3HG GLU 14 -8.457 -0.330 -16.640 109 H ALA 15 HN ALA 15 -7.540 2.507 -13.600 110 HA ALA 15 HA ALA 15 -4.992 3.467 -12.848 111 HB1 ALA 15 1HB ALA 15 -7.586 4.815 -12.156 112 HB2 ALA 15 2HB ALA 15 -6.022 5.550 -12.513 113 HB3 ALA 15 3HB ALA 15 -6.952 4.784 -13.801 114 H LEU 16 HN LEU 16 -7.889 2.692 -10.937 115 HA LEU 16 HA LEU 16 -6.868 3.410 -8.431 116 HB2 LEU 16 2HB LEU 16 -9.077 1.689 -9.411 117 HB3 LEU 16 3HB LEU 16 -8.562 1.444 -7.753 118 HG LEU 16 HG LEU 16 -10.414 2.970 -7.767 119 HD11 LEU 16 1HD1 LEU 16 -8.126 3.415 -6.447 120 HD12 LEU 16 2HD1 LEU 16 -8.237 4.920 -7.357 121 HD13 LEU 16 3HD1 LEU 16 -9.552 4.440 -6.286 122 HD21 LEU 16 3HD2 LEU 16 -9.826 5.289 -8.917 123 HD22 LEU 16 1HD2 LEU 16 -8.888 4.235 -9.973 124 HD23 LEU 16 2HD2 LEU 16 -10.625 3.983 -9.793 125 H ARG 17 HN ARG 17 -7.078 0.165 -9.899 126 HA ARG 17 HA ARG 17 -5.680 -1.194 -7.899 127 HB2 ARG 17 2HB ARG 17 -5.371 -2.971 -9.542 128 HB3 ARG 17 3HB ARG 17 -7.004 -2.325 -9.631 129 HG2 ARG 17 2HG ARG 17 -6.210 -0.896 -11.547 130 HG3 ARG 17 3HG ARG 17 -4.725 -1.849 -11.528 131 HD2 ARG 17 2HD ARG 17 -6.475 -3.849 -11.572 132 HD3 ARG 17 3HD ARG 17 -7.474 -2.618 -12.340 133 HE ARG 17 HE ARG 17 -6.185 -2.803 -14.214 134 HH11 ARG 17 2HH1 ARG 17 -4.443 -4.190 -11.527 135 HH12 ARG 17 1HH1 ARG 17 -3.159 -4.804 -12.515 136 HH21 ARG 17 2HH2 ARG 17 -4.497 -3.609 -15.515 137 HH22 ARG 17 1HH2 ARG 17 -3.188 -4.473 -14.778 138 H GLU 18 HN GLU 18 -4.518 0.347 -10.869 139 HA GLU 18 HA GLU 18 -1.839 -0.451 -10.684 140 HB2 GLU 18 2HB GLU 18 -3.232 1.845 -12.018 141 HB3 GLU 18 3HB GLU 18 -1.476 1.759 -12.019 142 HG2 GLU 18 2HG GLU 18 -3.092 -0.582 -12.924 143 HG3 GLU 18 3HG GLU 18 -2.814 0.783 -14.006 144 H PHE 19 HN PHE 19 -3.458 2.483 -9.493 145 HA PHE 19 HA PHE 19 -1.293 3.857 -8.494 146 HB2 PHE 19 2HB PHE 19 -3.724 4.590 -8.570 147 HB3 PHE 19 3HB PHE 19 -3.947 3.698 -7.068 148 HD1 PHE 19 2HD PHE 19 -1.658 6.259 -8.526 149 HD2 PHE 19 1HD PHE 19 -3.763 4.860 -5.103 150 HE1 PHE 19 2HE PHE 19 -0.886 8.219 -7.256 151 HE2 PHE 19 1HE PHE 19 -2.994 6.818 -3.825 152 HZ PHE 19 HZ PHE 19 -1.553 8.500 -4.902 153 H VAL 20 HN VAL 20 -3.236 1.391 -6.815 154 HA VAL 20 HA VAL 20 -1.835 1.488 -4.378 155 HB VAL 20 HB VAL 20 -3.215 -0.938 -5.532 156 HG11 VAL 20 1HG1 VAL 20 -1.727 -0.793 -3.288 157 HG12 VAL 20 2HG1 VAL 20 -3.306 -0.333 -2.651 158 HG13 VAL 20 3HG1 VAL 20 -3.105 -1.875 -3.484 159 HG21 VAL 20 3HG2 VAL 20 -5.234 -0.043 -5.146 160 HG22 VAL 20 1HG2 VAL 20 -4.712 0.728 -3.649 161 HG23 VAL 20 2HG2 VAL 20 -4.395 1.505 -5.200 162 H THR 21 HN THR 21 -1.521 -0.788 -7.106 163 HA THR 21 HA THR 21 0.663 -2.209 -6.045 164 HB THR 21 HB THR 21 0.220 -1.867 -8.996 165 HG1 THR 21 1HG THR 21 -1.304 -3.553 -7.307 166 HG21 THR 21 3HG2 THR 21 0.534 -4.522 -7.791 167 HG22 THR 21 1HG2 THR 21 1.944 -3.467 -7.691 168 HG23 THR 21 2HG2 THR 21 1.235 -3.845 -9.261 169 H ALA 22 HN ALA 22 0.458 0.782 -7.831 170 HA ALA 22 HA ALA 22 3.094 0.970 -8.753 171 HB1 ALA 22 1HB ALA 22 1.467 3.328 -7.847 172 HB2 ALA 22 2HB ALA 22 2.668 3.251 -9.137 173 HB3 ALA 22 3HB ALA 22 1.109 2.449 -9.333 174 H LYS 23 HN LYS 23 1.645 2.061 -5.696 175 HA LYS 23 HA LYS 23 4.013 3.201 -4.652 176 HB2 LYS 23 2HB LYS 23 1.705 2.066 -3.068 177 HB3 LYS 23 3HB LYS 23 2.856 3.288 -2.544 178 HG2 LYS 23 2HG LYS 23 0.878 3.640 -4.785 179 HG3 LYS 23 3HG LYS 23 0.654 4.217 -3.133 180 HD2 LYS 23 2HD LYS 23 2.224 5.873 -3.355 181 HD3 LYS 23 3HD LYS 23 3.138 4.991 -4.582 182 HE2 LYS 23 2HE LYS 23 1.320 5.421 -6.194 183 HE3 LYS 23 3HE LYS 23 0.483 6.369 -4.967 184 HZ1 LYS 23 3HZ LYS 23 2.854 7.555 -4.950 185 HZ2 LYS 23 1HZ LYS 23 1.589 8.043 -5.962 186 HZ3 LYS 23 2HZ LYS 23 2.816 7.046 -6.563 187 H PHE 24 HN PHE 24 2.432 0.072 -4.009 188 HA PHE 24 HA PHE 24 4.257 -0.987 -2.232 189 HB2 PHE 24 2HB PHE 24 2.267 -2.085 -4.105 190 HB3 PHE 24 3HB PHE 24 3.555 -3.203 -3.668 191 HD1 PHE 24 2HD PHE 24 4.032 -3.490 -1.152 192 HD2 PHE 24 1HD PHE 24 0.446 -1.807 -2.706 193 HE1 PHE 24 2HE PHE 24 2.887 -3.984 0.968 194 HE2 PHE 24 1HE PHE 24 -0.706 -2.296 -0.586 195 HZ PHE 24 HZ PHE 24 0.515 -3.385 1.253 196 H ALA 25 HN ALA 25 4.344 -1.059 -5.776 197 HA ALA 25 HA ALA 25 6.575 -2.648 -6.167 198 HB1 ALA 25 1HB ALA 25 5.273 -0.475 -7.711 199 HB2 ALA 25 2HB ALA 25 6.892 -0.970 -8.203 200 HB3 ALA 25 3HB ALA 25 5.585 -2.153 -8.155 201 H LYS 26 HN LYS 26 6.509 0.917 -5.913 202 HA LYS 26 HA LYS 26 9.228 1.387 -6.023 203 HB2 LYS 26 2HB LYS 26 7.098 2.977 -5.789 204 HB3 LYS 26 3HB LYS 26 7.622 3.007 -4.112 205 HG2 LYS 26 2HG LYS 26 9.936 3.419 -5.625 206 HG3 LYS 26 3HG LYS 26 8.685 4.403 -6.385 207 HD2 LYS 26 2HD LYS 26 9.571 5.828 -4.774 208 HD3 LYS 26 3HD LYS 26 8.143 5.165 -3.975 209 HE2 LYS 26 2HE LYS 26 9.437 3.693 -2.665 210 HE3 LYS 26 3HE LYS 26 10.872 3.944 -3.660 211 HZ1 LYS 26 3HZ LYS 26 9.773 6.314 -2.388 212 HZ2 LYS 26 1HZ LYS 26 11.385 5.844 -2.593 213 HZ3 LYS 26 2HZ LYS 26 10.462 5.176 -1.344 214 H LEU 27 HN LEU 27 7.314 0.114 -3.411 215 HA LEU 27 HA LEU 27 9.354 0.506 -1.410 216 HB2 LEU 27 2HB LEU 27 6.673 -0.812 -1.488 217 HB3 LEU 27 3HB LEU 27 7.777 -1.200 -0.182 218 HG LEU 27 HG LEU 27 7.912 1.376 0.147 219 HD11 LEU 27 1HD1 LEU 27 5.940 2.594 -0.510 220 HD12 LEU 27 2HD1 LEU 27 6.700 1.901 -1.943 221 HD13 LEU 27 3HD1 LEU 27 5.256 1.152 -1.259 222 HD21 LEU 27 3HD2 LEU 27 6.529 1.105 1.911 223 HD22 LEU 27 1HD2 LEU 27 5.236 0.414 0.930 224 HD23 LEU 27 2HD2 LEU 27 6.600 -0.588 1.424 225 H GLU 28 HN GLU 28 8.400 -1.951 -3.665 226 HA GLU 28 HA GLU 28 9.641 -4.186 -2.514 227 HB2 GLU 28 2HB GLU 28 8.387 -3.511 -5.013 228 HB3 GLU 28 3HB GLU 28 9.843 -4.449 -5.314 229 HG2 GLU 28 2HG GLU 28 8.391 -5.639 -3.164 230 HG3 GLU 28 3HG GLU 28 7.303 -5.368 -4.524 231 H GLN 29 HN GLN 29 11.039 -1.377 -3.817 232 HA GLN 29 HA GLN 29 13.434 -2.524 -4.857 233 HB2 GLN 29 2HB GLN 29 12.608 -0.293 -5.531 234 HB3 GLN 29 3HB GLN 29 12.913 0.297 -3.904 235 HG2 GLN 29 2HG GLN 29 15.144 0.435 -4.218 236 HG3 GLN 29 3HG GLN 29 15.192 -0.966 -5.288 237 HE21 GLN 29 1HE2 GLN 29 16.089 1.997 -5.346 238 HE22 GLN 29 2HE2 GLN 29 15.629 2.506 -6.932 239 H TYR 30 HN TYR 30 12.740 -0.711 -1.861 240 HA TYR 30 HA TYR 30 15.270 -1.630 -0.745 241 HB2 TYR 30 2HB TYR 30 14.370 -0.171 1.258 242 HB3 TYR 30 3HB TYR 30 15.075 0.582 -0.163 243 HD1 TYR 30 1HD TYR 30 11.830 -0.322 1.407 244 HD2 TYR 30 2HD TYR 30 13.843 2.120 -1.435 245 HE1 TYR 30 1HE TYR 30 9.782 1.005 1.101 246 HE2 TYR 30 2HE TYR 30 11.801 3.452 -1.747 247 HH TYR 30 HH TYR 30 9.157 3.278 0.345 248 H PHE 31 HN PHE 31 11.868 -2.279 -0.479 249 HA PHE 31 HA PHE 31 12.315 -3.908 1.916 250 HB2 PHE 31 2HB PHE 31 9.764 -3.062 0.529 251 HB3 PHE 31 3HB PHE 31 9.815 -4.145 1.915 252 HD1 PHE 31 1HD PHE 31 12.148 -2.581 3.278 253 HD2 PHE 31 2HD PHE 31 8.403 -1.427 1.624 254 HE1 PHE 31 1HE PHE 31 12.082 -0.644 4.790 255 HE2 PHE 31 2HE PHE 31 8.333 0.514 3.130 256 HZ PHE 31 HZ PHE 31 10.172 0.908 4.716 257 H ASP 32 HN ASP 32 12.771 -5.979 1.676 258 HA ASP 32 HA ASP 32 11.917 -7.340 -0.788 259 HB2 ASP 32 2HB ASP 32 14.356 -7.243 -0.409 260 HB3 ASP 32 3HB ASP 32 14.142 -8.091 1.119 261 H ARG 33 HN ARG 33 11.309 -7.159 2.534 262 HA ARG 33 HA ARG 33 10.548 -9.919 2.891 263 HB2 ARG 33 2HB ARG 33 9.810 -7.634 4.709 264 HB3 ARG 33 3HB ARG 33 9.998 -9.334 5.116 265 HG2 ARG 33 2HG ARG 33 12.316 -7.709 4.139 266 HG3 ARG 33 3HG ARG 33 11.833 -7.704 5.837 267 HD2 ARG 33 2HD ARG 33 13.449 -9.373 5.746 268 HD3 ARG 33 3HD ARG 33 11.933 -10.270 5.646 269 HE ARG 33 HE ARG 33 12.597 -9.845 3.050 270 HH11 ARG 33 2HH1 ARG 33 14.287 -11.219 5.776 271 HH12 ARG 33 1HH1 ARG 33 15.234 -12.295 4.805 272 HH21 ARG 33 2HH2 ARG 33 13.841 -11.261 1.772 273 HH22 ARG 33 1HH2 ARG 33 14.981 -12.320 2.532 274 H ILE 34 HN ILE 34 9.178 -9.394 0.777 275 HA ILE 34 HA ILE 34 6.422 -9.130 1.725 276 HB ILE 34 HB ILE 34 7.395 -7.741 -0.774 277 HG12 ILE 34 2HG1 ILE 34 6.472 -5.769 0.887 278 HG13 ILE 34 3HG1 ILE 34 7.252 -6.857 2.032 279 HG21 ILE 34 1HG2 ILE 34 4.744 -7.483 0.631 280 HG22 ILE 34 2HG2 ILE 34 5.199 -6.843 -0.947 281 HG23 ILE 34 3HG2 ILE 34 5.032 -8.584 -0.716 282 HD11 ILE 34 3HD1 ILE 34 8.851 -6.321 -0.347 283 HD12 ILE 34 1HD1 ILE 34 8.493 -4.889 0.619 284 HD13 ILE 34 2HD1 ILE 34 9.294 -6.274 1.361 285 H ASN 35 HN ASN 35 5.448 -10.974 1.207 286 HA ASN 35 HA ASN 35 6.146 -12.258 -1.354 287 HB2 ASN 35 2HB ASN 35 5.248 -14.373 -0.150 288 HB3 ASN 35 3HB ASN 35 6.859 -13.794 0.258 289 HD21 ASN 35 1HD2 ASN 35 4.022 -14.885 1.497 290 HD22 ASN 35 2HD2 ASN 35 4.142 -14.247 3.098 291 H GLN 36 HN GLN 36 3.500 -12.074 1.036 292 HA GLN 36 HA GLN 36 1.613 -11.937 -1.220 293 HB2 GLN 36 2HB GLN 36 1.469 -14.144 -0.169 294 HB3 GLN 36 3HB GLN 36 1.215 -13.394 1.399 295 HG2 GLN 36 2HG GLN 36 -0.951 -12.954 0.991 296 HG3 GLN 36 3HG GLN 36 -0.673 -12.605 -0.714 297 HE21 GLN 36 1HE2 GLN 36 -0.306 -14.456 -2.130 298 HE22 GLN 36 2HE2 GLN 36 -1.117 -15.942 -1.786 299 H VAL 37 HN VAL 37 0.652 -10.017 -1.251 300 HA VAL 37 HA VAL 37 -0.010 -8.745 1.324 301 HB VAL 37 HB VAL 37 0.642 -7.176 -1.161 302 HG11 VAL 37 1HG1 VAL 37 -0.031 -6.580 1.641 303 HG12 VAL 37 2HG1 VAL 37 1.276 -5.619 0.951 304 HG13 VAL 37 3HG1 VAL 37 -0.310 -5.635 0.178 305 HG21 VAL 37 3HG2 VAL 37 2.623 -8.471 -0.649 306 HG22 VAL 37 1HG2 VAL 37 2.881 -6.784 -0.205 307 HG23 VAL 37 2HG2 VAL 37 2.538 -7.981 1.043 308 H TYR 38 HN TYR 38 -2.050 -8.021 1.556 309 HA TYR 38 HA TYR 38 -3.757 -7.910 -0.828 310 HB2 TYR 38 2HB TYR 38 -5.601 -8.741 0.874 311 HB3 TYR 38 3HB TYR 38 -4.590 -9.882 -0.003 312 HD1 TYR 38 1HD TYR 38 -2.303 -10.466 1.292 313 HD2 TYR 38 2HD TYR 38 -5.896 -9.103 3.122 314 HE1 TYR 38 1HE TYR 38 -1.594 -11.473 3.421 315 HE2 TYR 38 2HE TYR 38 -5.196 -10.103 5.256 316 HH TYR 38 HH TYR 38 -3.674 -11.943 6.017 317 H VAL 39 HN VAL 39 -4.926 -6.136 -1.012 318 HA VAL 39 HA VAL 39 -5.106 -4.336 1.318 319 HB VAL 39 HB VAL 39 -5.068 -3.522 -1.589 320 HG11 VAL 39 1HG1 VAL 39 -5.975 -1.668 -0.713 321 HG12 VAL 39 2HG1 VAL 39 -5.526 -2.107 0.935 322 HG13 VAL 39 3HG1 VAL 39 -4.345 -1.344 -0.128 323 HG21 VAL 39 3HG2 VAL 39 -2.886 -3.839 0.419 324 HG22 VAL 39 1HG2 VAL 39 -2.898 -4.230 -1.300 325 HG23 VAL 39 2HG2 VAL 39 -2.779 -2.549 -0.780 326 H VAL 40 HN VAL 40 -7.015 -3.201 1.681 327 HA VAL 40 HA VAL 40 -9.301 -3.743 -0.048 328 HB VAL 40 HB VAL 40 -9.460 -4.221 2.933 329 HG11 VAL 40 1HG1 VAL 40 -11.485 -5.310 1.093 330 HG12 VAL 40 2HG1 VAL 40 -11.674 -4.554 2.676 331 HG13 VAL 40 3HG1 VAL 40 -11.456 -3.551 1.242 332 HG21 VAL 40 3HG2 VAL 40 -8.877 -6.076 0.681 333 HG22 VAL 40 1HG2 VAL 40 -8.268 -6.078 2.336 334 HG23 VAL 40 2HG2 VAL 40 -9.901 -6.648 1.997 335 H LEU 41 HN LEU 41 -10.542 -2.042 -0.294 336 HA LEU 41 HA LEU 41 -10.386 0.128 1.674 337 HB2 LEU 41 2HB LEU 41 -10.634 1.605 -0.493 338 HB3 LEU 41 3HB LEU 41 -9.065 1.088 0.093 339 HG LEU 41 HG LEU 41 -9.268 0.865 -2.343 340 HD11 LEU 41 1HD1 LEU 41 -9.148 -1.954 -1.712 341 HD12 LEU 41 2HD1 LEU 41 -7.895 -0.869 -2.320 342 HD13 LEU 41 3HD1 LEU 41 -8.217 -0.964 -0.588 343 HD21 LEU 41 3HD2 LEU 41 -11.228 -1.355 -1.937 344 HD22 LEU 41 1HD2 LEU 41 -11.767 0.304 -2.182 345 HD23 LEU 41 2HD2 LEU 41 -10.805 -0.503 -3.420 346 H LYS 42 HN LYS 42 -12.272 0.930 2.300 347 HA LYS 42 HA LYS 42 -14.681 0.119 0.825 348 HB2 LYS 42 2HB LYS 42 -14.756 -0.690 3.066 349 HB3 LYS 42 3HB LYS 42 -14.242 0.861 3.716 350 HG2 LYS 42 2HG LYS 42 -16.354 1.858 3.140 351 HG3 LYS 42 3HG LYS 42 -16.866 0.381 2.321 352 HD2 LYS 42 2HD LYS 42 -17.877 0.546 4.535 353 HD3 LYS 42 3HD LYS 42 -16.775 -0.830 4.444 354 HE2 LYS 42 2HE LYS 42 -15.029 0.535 5.527 355 HE3 LYS 42 3HE LYS 42 -16.182 1.862 5.670 356 HZ1 LYS 42 3HZ LYS 42 -17.035 -0.696 6.755 357 HZ2 LYS 42 1HZ LYS 42 -17.250 0.866 7.366 358 HZ3 LYS 42 2HZ LYS 42 -15.774 0.069 7.582 359 H VAL 43 HN VAL 43 -15.966 1.595 -0.091 360 HA VAL 43 HA VAL 43 -15.334 4.435 0.387 361 HB VAL 43 HB VAL 43 -16.549 3.268 -2.117 362 HG11 VAL 43 1HG1 VAL 43 -15.143 5.855 -2.146 363 HG12 VAL 43 2HG1 VAL 43 -16.631 5.359 -2.953 364 HG13 VAL 43 3HG1 VAL 43 -16.663 5.821 -1.252 365 HG21 VAL 43 3HG2 VAL 43 -14.378 3.495 -3.156 366 HG22 VAL 43 1HG2 VAL 43 -13.690 4.112 -1.654 367 HG23 VAL 43 2HG2 VAL 43 -14.250 2.442 -1.748 368 H GLU 44 HN GLU 44 -16.833 5.412 1.552 369 HA GLU 44 HA GLU 44 -19.656 4.918 0.926 370 HB2 GLU 44 2HB GLU 44 -20.081 5.202 3.452 371 HB3 GLU 44 3HB GLU 44 -19.487 3.648 2.880 372 HG2 GLU 44 2HG GLU 44 -17.215 4.288 3.542 373 HG3 GLU 44 3HG GLU 44 -17.841 5.821 4.149 374 H LYS 45 HN LYS 45 -21.062 6.667 1.391 375 HA LYS 45 HA LYS 45 -20.113 9.177 0.720 376 HB2 LYS 45 2HB LYS 45 -22.482 8.420 0.576 377 HB3 LYS 45 3HB LYS 45 -22.607 8.594 2.322 378 HG2 LYS 45 2HG LYS 45 -21.635 11.040 1.510 379 HG3 LYS 45 3HG LYS 45 -22.763 10.600 0.228 380 HD2 LYS 45 2HD LYS 45 -24.178 9.929 2.459 381 HD3 LYS 45 3HD LYS 45 -23.273 11.334 3.023 382 HE2 LYS 45 2HE LYS 45 -24.103 12.630 1.122 383 HE3 LYS 45 3HE LYS 45 -25.005 11.224 0.556 384 HZ1 LYS 45 3HZ LYS 45 -26.650 12.171 1.733 385 HZ2 LYS 45 1HZ LYS 45 -25.602 13.057 2.723 386 HZ3 LYS 45 2HZ LYS 45 -25.904 11.426 3.055 387 H VAL 46 HN VAL 46 -20.016 7.629 3.795 388 HA VAL 46 HA VAL 46 -19.794 10.111 5.267 389 HB VAL 46 HB VAL 46 -19.024 8.300 7.103 390 HG11 VAL 46 1HG1 VAL 46 -21.274 8.358 7.926 391 HG12 VAL 46 2HG1 VAL 46 -20.903 9.919 7.195 392 HG13 VAL 46 3HG1 VAL 46 -21.899 8.752 6.326 393 HG21 VAL 46 3HG2 VAL 46 -19.321 6.527 5.239 394 HG22 VAL 46 1HG2 VAL 46 -19.964 6.198 6.847 395 HG23 VAL 46 2HG2 VAL 46 -21.044 6.726 5.555 396 H THR 47 HN THR 47 -17.627 7.336 5.665 397 HA THR 47 HA THR 47 -15.355 9.122 5.102 398 HB THR 47 HB THR 47 -15.156 7.038 7.242 399 HG1 THR 47 1HG THR 47 -16.217 9.647 7.560 400 HG21 THR 47 3HG2 THR 47 -13.168 8.355 6.396 401 HG22 THR 47 1HG2 THR 47 -13.450 8.367 8.137 402 HG23 THR 47 2HG2 THR 47 -13.908 9.762 7.160 403 H HIS 48 HN HIS 48 -13.440 8.125 4.352 404 HA HIS 48 HA HIS 48 -13.923 5.548 3.034 405 HB2 HIS 48 2HB HIS 48 -11.725 7.565 2.527 406 HB3 HIS 48 3HB HIS 48 -12.073 6.136 1.561 407 HD1 HIS 48 1HD HIS 48 -13.482 6.546 -0.430 408 HD2 HIS 48 2HD HIS 48 -14.047 9.448 2.491 409 HE1 HIS 48 1HE HIS 48 -15.060 8.221 -1.442 410 HE2 HIS 48 2HE HIS 48 -15.324 10.008 0.313 411 H THR 49 HN THR 49 -12.780 3.753 3.548 412 HA THR 49 HA THR 49 -10.501 4.078 5.385 413 HB THR 49 HB THR 49 -12.647 1.958 5.582 414 HG1 THR 49 1HG THR 49 -13.559 3.186 7.023 415 HG21 THR 49 3HG2 THR 49 -11.507 0.927 7.207 416 HG22 THR 49 1HG2 THR 49 -10.843 2.431 7.842 417 HG23 THR 49 2HG2 THR 49 -10.105 1.667 6.434 418 H SER 50 HN SER 50 -8.782 2.782 5.095 419 HA SER 50 HA SER 50 -8.925 0.670 3.058 420 HB2 SER 50 2HB SER 50 -6.648 1.452 2.249 421 HB3 SER 50 3HB SER 50 -7.999 2.512 1.845 422 HG SER 50 HG SER 50 -6.095 2.849 3.917 423 H ASP 51 HN ASP 51 -7.552 -1.084 3.397 424 HA ASP 51 HA ASP 51 -5.838 -0.993 5.774 425 HB2 ASP 51 2HB ASP 51 -6.681 -3.148 6.540 426 HB3 ASP 51 3HB ASP 51 -8.001 -1.988 6.433 427 H ALA 52 HN ALA 52 -4.105 -2.501 5.776 428 HA ALA 52 HA ALA 52 -3.729 -4.130 3.397 429 HB1 ALA 52 1HB ALA 52 -1.485 -2.286 4.068 430 HB2 ALA 52 2HB ALA 52 -1.872 -3.085 2.545 431 HB3 ALA 52 3HB ALA 52 -2.827 -1.704 3.082 432 H THR 53 HN THR 53 -3.160 -6.020 4.116 433 HA THR 53 HA THR 53 -1.565 -6.252 6.570 434 HB THR 53 HB THR 53 -3.017 -8.463 5.117 435 HG1 THR 53 1HG THR 53 -3.969 -6.964 7.323 436 HG21 THR 53 3HG2 THR 53 -3.086 -9.454 7.419 437 HG22 THR 53 1HG2 THR 53 -1.921 -8.219 7.899 438 HG23 THR 53 2HG2 THR 53 -1.496 -9.397 6.658 439 H LEU 54 HN LEU 54 0.563 -6.381 6.217 440 HA LEU 54 HA LEU 54 1.523 -7.695 3.781 441 HB2 LEU 54 2HB LEU 54 2.784 -5.764 5.706 442 HB3 LEU 54 3HB LEU 54 3.743 -6.660 4.544 443 HG LEU 54 HG LEU 54 2.562 -5.625 2.699 444 HD11 LEU 54 1HD1 LEU 54 1.032 -3.620 3.469 445 HD12 LEU 54 2HD1 LEU 54 0.384 -5.248 3.262 446 HD13 LEU 54 3HD1 LEU 54 0.788 -4.655 4.875 447 HD21 LEU 54 3HD2 LEU 54 4.375 -4.310 3.190 448 HD22 LEU 54 1HD2 LEU 54 3.067 -3.142 3.377 449 HD23 LEU 54 2HD2 LEU 54 3.781 -3.902 4.800 450 H HIS 55 HN HIS 55 3.040 -9.328 3.814 451 HA HIS 55 HA HIS 55 3.262 -10.759 6.375 452 HB2 HIS 55 2HB HIS 55 3.289 -11.696 3.513 453 HB3 HIS 55 3HB HIS 55 3.891 -12.713 4.817 454 HD1 HIS 55 1HD HIS 55 2.191 -14.286 5.651 455 HD2 HIS 55 2HD HIS 55 0.471 -10.777 4.240 456 HE1 HIS 55 1HE HIS 55 -0.290 -14.595 5.928 457 HE2 HIS 55 2HE HIS 55 -1.303 -12.422 5.156 458 H VAL 56 HN VAL 56 5.226 -11.266 7.230 459 HA VAL 56 HA VAL 56 7.627 -10.780 5.622 460 HB VAL 56 HB VAL 56 7.238 -8.688 6.825 461 HG11 VAL 56 1HG1 VAL 56 6.344 -10.358 8.882 462 HG12 VAL 56 2HG1 VAL 56 7.799 -9.581 9.503 463 HG13 VAL 56 3HG1 VAL 56 6.463 -8.598 8.905 464 HG21 VAL 56 3HG2 VAL 56 9.441 -8.467 7.027 465 HG22 VAL 56 1HG2 VAL 56 9.462 -9.490 8.464 466 HG23 VAL 56 2HG2 VAL 56 9.589 -10.217 6.862 467 H ASN 57 HN ASN 57 8.821 -12.546 5.721 468 HA ASN 57 HA ASN 57 9.546 -14.619 6.383 469 HB2 ASN 57 2HB ASN 57 10.276 -12.742 8.614 470 HB3 ASN 57 3HB ASN 57 10.790 -14.426 8.634 471 HD21 ASN 57 1HD2 ASN 57 12.954 -13.724 8.540 472 HD22 ASN 57 2HD2 ASN 57 13.655 -13.185 7.055 473 H GLY 58 HN GLY 58 8.949 -13.879 9.751 474 HA2 GLY 58 2HA GLY 58 6.854 -15.964 9.758 475 HA3 GLY 58 3HA GLY 58 8.052 -15.795 11.032 476 H GLY 59 HN GLY 59 6.406 -13.104 9.498 477 HA2 GLY 59 2HA GLY 59 4.615 -12.805 11.787 478 HA3 GLY 59 3HA GLY 59 5.792 -11.528 11.522 479 H GLU 60 HN GLU 60 3.033 -11.072 11.495 480 HA GLU 60 HA GLU 60 2.717 -10.173 8.728 481 HB2 GLU 60 2HB GLU 60 0.649 -11.702 10.308 482 HB3 GLU 60 3HB GLU 60 0.280 -10.792 8.849 483 HG2 GLU 60 2HG GLU 60 0.925 -12.474 7.569 484 HG3 GLU 60 3HG GLU 60 2.496 -12.542 8.368 485 H ILE 61 HN ILE 61 2.316 -8.076 8.680 486 HA ILE 61 HA ILE 61 1.260 -6.775 11.092 487 HB ILE 61 HB ILE 61 2.531 -5.439 8.703 488 HG12 ILE 61 2HG1 ILE 61 4.137 -5.496 11.128 489 HG13 ILE 61 3HG1 ILE 61 3.812 -7.119 10.530 490 HG21 ILE 61 1HG2 ILE 61 2.320 -4.365 11.495 491 HG22 ILE 61 2HG2 ILE 61 2.612 -3.492 9.991 492 HG23 ILE 61 3HG2 ILE 61 1.015 -4.165 10.326 493 HD11 ILE 61 3HD1 ILE 61 4.528 -5.962 8.237 494 HD12 ILE 61 1HD1 ILE 61 5.439 -4.954 9.363 495 HD13 ILE 61 2HD1 ILE 61 5.683 -6.701 9.347 496 H HIS 62 HN HIS 62 -0.576 -5.511 11.035 497 HA HIS 62 HA HIS 62 -1.998 -5.322 8.472 498 HB2 HIS 62 2HB HIS 62 -2.945 -7.217 9.692 499 HB3 HIS 62 3HB HIS 62 -3.197 -6.201 11.109 500 HD1 HIS 62 1HD HIS 62 -5.739 -7.047 10.773 501 HD2 HIS 62 2HD HIS 62 -4.270 -4.408 7.919 502 HE1 HIS 62 1HE HIS 62 -7.764 -6.134 9.598 503 HE2 HIS 62 2HE HIS 62 -6.844 -4.633 7.798 504 H ALA 63 HN ALA 63 -2.178 -3.202 8.072 505 HA ALA 63 HA ALA 63 -2.943 -1.447 10.319 506 HB1 ALA 63 1HB ALA 63 -1.048 -0.335 9.996 507 HB2 ALA 63 2HB ALA 63 -0.682 -1.258 8.541 508 HB3 ALA 63 3HB ALA 63 -1.693 0.183 8.439 509 H SER 64 HN SER 64 -4.263 0.402 9.770 510 HA SER 64 HA SER 64 -5.543 0.330 7.149 511 HB2 SER 64 2HB SER 64 -7.790 0.466 8.187 512 HB3 SER 64 3HB SER 64 -6.982 -1.057 8.556 513 HG SER 64 HG SER 64 -7.980 -0.044 10.393 514 H ALA 65 HN ALA 65 -5.430 2.330 6.360 515 HA ALA 65 HA ALA 65 -5.518 4.582 8.259 516 HB1 ALA 65 1HB ALA 65 -3.354 4.374 7.158 517 HB2 ALA 65 2HB ALA 65 -4.139 4.458 5.582 518 HB3 ALA 65 3HB ALA 65 -4.177 5.852 6.661 519 H GLU 66 HN GLU 66 -6.490 6.558 7.511 520 HA GLU 66 HA GLU 66 -8.395 6.258 5.301 521 HB2 GLU 66 2HB GLU 66 -10.127 7.395 6.712 522 HB3 GLU 66 3HB GLU 66 -9.717 5.769 7.240 523 HG2 GLU 66 2HG GLU 66 -8.045 7.010 8.810 524 HG3 GLU 66 3HG GLU 66 -9.106 8.389 8.519 525 H GLY 67 HN GLY 67 -9.272 8.352 4.565 526 HA2 GLY 67 2HA GLY 67 -7.720 10.698 5.370 527 HA3 GLY 67 3HA GLY 67 -7.584 10.179 3.696 528 H GLN 68 HN GLN 68 -9.038 10.915 2.270 529 HA GLN 68 HA GLN 68 -11.561 12.013 3.291 530 HB2 GLN 68 2HB GLN 68 -9.879 13.820 2.837 531 HB3 GLN 68 3HB GLN 68 -9.883 13.325 1.150 532 HG2 GLN 68 2HG GLN 68 -11.347 15.112 1.179 533 HG3 GLN 68 3HG GLN 68 -12.422 13.717 1.262 534 HE21 GLN 68 1HE2 GLN 68 -13.318 13.154 3.318 535 HE22 GLN 68 2HE2 GLN 68 -13.538 14.363 4.531 536 H ASP 69 HN ASP 69 -9.900 10.131 0.974 537 HA ASP 69 HA ASP 69 -12.370 9.320 -0.251 538 HB2 ASP 69 2HB ASP 69 -11.563 9.766 -2.575 539 HB3 ASP 69 3HB ASP 69 -11.911 11.229 -1.659 540 H MET 70 HN MET 70 -11.745 7.682 -2.129 541 HA MET 70 HA MET 70 -10.470 5.521 -0.964 542 HB2 MET 70 2HB MET 70 -11.989 5.629 -3.049 543 HB3 MET 70 3HB MET 70 -10.504 5.908 -3.945 544 HG2 MET 70 2HG MET 70 -10.719 3.575 -2.097 545 HG3 MET 70 3HG MET 70 -11.442 3.506 -3.703 546 HE1 MET 70 3HE MET 70 -9.552 2.114 -5.637 547 HE2 MET 70 1HE MET 70 -8.607 1.294 -4.393 548 HE3 MET 70 2HE MET 70 -10.333 1.571 -4.152 549 H TYR 71 HN TYR 71 -9.140 7.590 -3.552 550 HA TYR 71 HA TYR 71 -6.601 6.497 -3.666 551 HB2 TYR 71 2HB TYR 71 -7.924 8.832 -4.665 552 HB3 TYR 71 3HB TYR 71 -6.333 9.296 -4.071 553 HD1 TYR 71 1HD TYR 71 -7.325 6.076 -5.646 554 HD2 TYR 71 2HD TYR 71 -5.151 9.710 -6.048 555 HE1 TYR 71 1HE TYR 71 -6.310 5.233 -7.723 556 HE2 TYR 71 2HE TYR 71 -4.133 8.879 -8.126 557 HH TYR 71 HH TYR 71 -5.263 6.102 -9.743 558 H ALA 72 HN ALA 72 -7.796 9.092 -1.570 559 HA ALA 72 HA ALA 72 -5.352 9.784 -0.387 560 HB1 ALA 72 1HB ALA 72 -6.734 11.353 0.369 561 HB2 ALA 72 2HB ALA 72 -8.150 10.352 0.050 562 HB3 ALA 72 3HB ALA 72 -7.282 10.191 1.576 563 H ALA 73 HN ALA 73 -7.845 7.489 0.700 564 HA ALA 73 HA ALA 73 -6.731 6.694 3.095 565 HB1 ALA 73 1HB ALA 73 -7.923 4.529 1.492 566 HB2 ALA 73 2HB ALA 73 -8.314 5.090 3.117 567 HB3 ALA 73 3HB ALA 73 -8.920 5.967 1.710 568 H ILE 74 HN ILE 74 -5.822 5.758 -0.160 569 HA ILE 74 HA ILE 74 -4.176 3.562 0.594 570 HB ILE 74 HB ILE 74 -4.000 5.213 -1.928 571 HG12 ILE 74 2HG1 ILE 74 -6.283 4.339 -1.533 572 HG13 ILE 74 3HG1 ILE 74 -5.514 3.589 -2.929 573 HG21 ILE 74 1HG2 ILE 74 -2.853 2.603 -1.055 574 HG22 ILE 74 2HG2 ILE 74 -3.256 2.842 -2.754 575 HG23 ILE 74 3HG2 ILE 74 -2.103 3.917 -1.962 576 HD11 ILE 74 3HD1 ILE 74 -6.251 2.421 -0.308 577 HD12 ILE 74 1HD1 ILE 74 -6.406 1.755 -1.934 578 HD13 ILE 74 2HD1 ILE 74 -4.832 1.781 -1.136 579 H ASP 75 HN ASP 75 -3.428 6.917 -0.358 580 HA ASP 75 HA ASP 75 -0.680 6.833 -0.193 581 HB2 ASP 75 2HB ASP 75 -2.094 8.770 -0.959 582 HB3 ASP 75 3HB ASP 75 -2.362 9.163 0.737 583 H GLY 76 HN GLY 76 -2.912 7.718 2.449 584 HA2 GLY 76 2HA GLY 76 -0.957 8.055 4.426 585 HA3 GLY 76 3HA GLY 76 -2.645 7.676 4.726 586 H LEU 77 HN LEU 77 -2.874 5.173 3.617 587 HA LEU 77 HA LEU 77 -1.863 3.542 5.660 588 HB2 LEU 77 2HB LEU 77 -3.875 3.188 4.078 589 HB3 LEU 77 3HB LEU 77 -2.707 2.484 2.981 590 HG LEU 77 HG LEU 77 -4.045 0.900 4.480 591 HD11 LEU 77 1HD1 LEU 77 -1.039 0.774 4.399 592 HD12 LEU 77 2HD1 LEU 77 -2.094 -0.574 4.811 593 HD13 LEU 77 3HD1 LEU 77 -2.163 0.137 3.200 594 HD21 LEU 77 3HD2 LEU 77 -1.996 1.322 6.571 595 HD22 LEU 77 1HD2 LEU 77 -3.324 2.478 6.508 596 HD23 LEU 77 2HD2 LEU 77 -3.660 0.760 6.708 597 H ILE 78 HN ILE 78 -0.740 4.076 2.348 598 HA ILE 78 HA ILE 78 1.303 2.098 2.442 599 HB ILE 78 HB ILE 78 1.008 4.510 0.646 600 HG12 ILE 78 2HG1 ILE 78 -0.783 2.799 0.482 601 HG13 ILE 78 3HG1 ILE 78 0.175 2.917 -0.991 602 HG21 ILE 78 1HG2 ILE 78 3.145 4.128 0.098 603 HG22 ILE 78 2HG2 ILE 78 3.175 2.576 0.935 604 HG23 ILE 78 3HG2 ILE 78 2.544 2.680 -0.708 605 HD11 ILE 78 3HD1 ILE 78 0.720 0.777 -0.875 606 HD12 ILE 78 1HD1 ILE 78 1.281 0.951 0.789 607 HD13 ILE 78 2HD1 ILE 78 -0.420 0.624 0.462 608 H ASP 79 HN ASP 79 1.047 5.274 3.717 609 HA ASP 79 HA ASP 79 3.864 5.827 3.790 610 HB2 ASP 79 2HB ASP 79 1.673 7.402 4.017 611 HB3 ASP 79 3HB ASP 79 2.082 7.198 5.718 612 H LYS 80 HN LYS 80 1.442 4.993 6.267 613 HA LYS 80 HA LYS 80 3.276 4.672 8.375 614 HB2 LYS 80 2HB LYS 80 0.595 3.314 8.051 615 HB3 LYS 80 3HB LYS 80 1.470 3.556 9.557 616 HG2 LYS 80 2HG LYS 80 1.084 5.874 9.534 617 HG3 LYS 80 3HG LYS 80 0.572 5.851 7.845 618 HD2 LYS 80 2HD LYS 80 -1.285 4.241 8.731 619 HD3 LYS 80 3HD LYS 80 -0.906 4.974 10.291 620 HE2 LYS 80 2HE LYS 80 -1.198 6.940 8.167 621 HE3 LYS 80 3HE LYS 80 -2.652 5.967 8.393 622 HZ1 LYS 80 3HZ LYS 80 -2.833 7.818 9.821 623 HZ2 LYS 80 1HZ LYS 80 -1.256 7.634 10.408 624 HZ3 LYS 80 2HZ LYS 80 -2.448 6.507 10.818 625 H LEU 81 HN LEU 81 1.961 2.389 6.016 626 HA LEU 81 HA LEU 81 2.973 0.030 7.123 627 HB2 LEU 81 2HB LEU 81 2.160 0.877 4.380 628 HB3 LEU 81 3HB LEU 81 3.007 -0.645 4.572 629 HG LEU 81 HG LEU 81 0.391 -0.564 4.558 630 HD11 LEU 81 1HD1 LEU 81 2.085 -2.464 5.085 631 HD12 LEU 81 2HD1 LEU 81 1.564 -2.207 6.751 632 HD13 LEU 81 3HD1 LEU 81 0.385 -2.651 5.518 633 HD21 LEU 81 3HD2 LEU 81 0.792 -0.300 7.511 634 HD22 LEU 81 1HD2 LEU 81 0.500 1.126 6.518 635 HD23 LEU 81 2HD2 LEU 81 -0.693 -0.171 6.567 636 H ALA 82 HN ALA 82 4.416 2.219 4.712 637 HA ALA 82 HA ALA 82 6.747 0.797 4.212 638 HB1 ALA 82 1HB ALA 82 5.968 2.827 2.984 639 HB2 ALA 82 2HB ALA 82 6.553 3.800 4.334 640 HB3 ALA 82 3HB ALA 82 7.685 2.835 3.387 641 H ARG 83 HN ARG 83 6.471 3.581 6.424 642 HA ARG 83 HA ARG 83 8.941 3.416 7.623 643 HB2 ARG 83 2HB ARG 83 6.274 4.387 8.573 644 HB3 ARG 83 3HB ARG 83 7.616 4.321 9.709 645 HG2 ARG 83 2HG ARG 83 7.812 5.731 7.066 646 HG3 ARG 83 3HG ARG 83 7.225 6.523 8.530 647 HD2 ARG 83 2HD ARG 83 9.737 5.062 8.883 648 HD3 ARG 83 3HD ARG 83 9.840 6.397 7.737 649 HE ARG 83 HE ARG 83 9.498 6.576 10.586 650 HH11 ARG 83 2HH1 ARG 83 9.024 8.206 7.537 651 HH12 ARG 83 1HH1 ARG 83 9.013 9.788 8.243 652 HH21 ARG 83 2HH2 ARG 83 9.482 8.655 11.516 653 HH22 ARG 83 1HH2 ARG 83 9.274 10.043 10.501 654 H GLN 84 HN GLN 84 6.123 1.429 8.187 655 HA GLN 84 HA GLN 84 7.061 0.249 10.614 656 HB2 GLN 84 2HB GLN 84 4.831 -0.266 8.703 657 HB3 GLN 84 3HB GLN 84 5.296 -1.562 9.795 658 HG2 GLN 84 2HG GLN 84 4.851 1.136 10.944 659 HG3 GLN 84 3HG GLN 84 3.445 0.208 10.425 660 HE21 GLN 84 1HE2 GLN 84 3.924 -2.289 11.091 661 HE22 GLN 84 2HE2 GLN 84 4.202 -2.466 12.787 662 H LEU 85 HN LEU 85 7.197 -0.605 7.200 663 HA LEU 85 HA LEU 85 8.235 -3.195 7.479 664 HB2 LEU 85 2HB LEU 85 8.243 -1.162 5.299 665 HB3 LEU 85 3HB LEU 85 9.297 -2.556 5.145 666 HG LEU 85 HG LEU 85 6.884 -3.703 5.822 667 HD11 LEU 85 1HD1 LEU 85 5.309 -2.153 5.477 668 HD12 LEU 85 2HD1 LEU 85 6.395 -1.108 4.561 669 HD13 LEU 85 3HD1 LEU 85 5.600 -2.468 3.766 670 HD21 LEU 85 3HD2 LEU 85 7.136 -4.786 3.850 671 HD22 LEU 85 1HD2 LEU 85 7.430 -3.302 2.944 672 HD23 LEU 85 2HD2 LEU 85 8.723 -4.019 3.907 673 H THR 86 HN THR 86 9.855 -0.055 7.252 674 HA THR 86 HA THR 86 12.494 -1.065 7.197 675 HB THR 86 HB THR 86 11.652 1.601 8.336 676 HG1 THR 86 1HG THR 86 10.785 1.850 6.432 677 HG21 THR 86 3HG2 THR 86 13.744 2.383 7.878 678 HG22 THR 86 1HG2 THR 86 14.038 1.188 6.616 679 HG23 THR 86 2HG2 THR 86 14.117 0.715 8.313 680 H LYS 87 HN LYS 87 10.331 -0.136 9.823 681 HA LYS 87 HA LYS 87 12.102 -0.174 11.955 682 HB2 LYS 87 2HB LYS 87 9.654 0.489 11.967 683 HB3 LYS 87 3HB LYS 87 9.277 -1.223 12.088 684 HG2 LYS 87 2HG LYS 87 9.196 -0.327 14.277 685 HG3 LYS 87 3HG LYS 87 10.669 -1.293 14.168 686 HD2 LYS 87 2HD LYS 87 11.909 0.831 13.667 687 HD3 LYS 87 3HD LYS 87 10.425 1.709 14.044 688 HE2 LYS 87 2HE LYS 87 11.416 1.776 16.093 689 HE3 LYS 87 3HE LYS 87 10.560 0.242 16.248 690 HZ1 LYS 87 3HZ LYS 87 12.766 -0.103 16.982 691 HZ2 LYS 87 1HZ LYS 87 13.428 0.651 15.619 692 HZ3 LYS 87 2HZ LYS 87 12.652 -0.844 15.466 693 H HIS 88 HN HIS 88 9.976 -2.885 10.999 694 HA HIS 88 HA HIS 88 11.313 -4.750 12.658 695 HB2 HIS 88 2HB HIS 88 9.850 -6.373 11.805 696 HB3 HIS 88 3HB HIS 88 8.925 -4.880 11.728 697 HD1 HIS 88 1HD HIS 88 7.644 -4.708 9.636 698 HD2 HIS 88 2HD HIS 88 11.209 -6.768 9.078 699 HE1 HIS 88 1HE HIS 88 7.663 -5.377 7.211 700 HE2 HIS 88 2HE HIS 88 9.877 -6.530 6.875 701 H LYS 89 HN LYS 89 11.922 -3.606 9.450 702 HA LYS 89 HA LYS 89 13.519 -5.836 8.624 703 HB2 LYS 89 2HB LYS 89 12.355 -4.297 7.044 704 HB3 LYS 89 3HB LYS 89 13.483 -3.030 7.504 705 HG2 LYS 89 2HG LYS 89 15.153 -5.087 6.808 706 HG3 LYS 89 3HG LYS 89 13.818 -5.268 5.670 707 HD2 LYS 89 2HD LYS 89 14.367 -2.518 5.780 708 HD3 LYS 89 3HD LYS 89 15.937 -3.321 5.706 709 HE2 LYS 89 2HE LYS 89 13.688 -4.036 3.846 710 HE3 LYS 89 3HE LYS 89 14.811 -2.723 3.493 711 HZ1 LYS 89 3HZ LYS 89 15.924 -4.398 2.497 712 HZ2 LYS 89 1HZ LYS 89 15.254 -5.601 3.480 713 HZ3 LYS 89 2HZ LYS 89 16.528 -4.651 4.056 714 H ASP 90 HN ASP 90 14.060 -3.174 10.679 715 HA ASP 90 HA ASP 90 16.852 -2.836 10.194 716 HB2 ASP 90 2HB ASP 90 15.013 -1.997 12.429 717 HB3 ASP 90 3HB ASP 90 16.747 -1.694 12.493 718 H LYS 91 HN LYS 91 14.937 -4.710 12.496 719 HA LYS 91 HA LYS 91 16.956 -5.582 14.188 720 HB2 LYS 91 2HB LYS 91 15.491 -7.338 14.859 721 HB3 LYS 91 3HB LYS 91 14.482 -5.952 14.474 722 HG2 LYS 91 2HG LYS 91 14.486 -7.201 12.091 723 HG3 LYS 91 3HG LYS 91 14.666 -8.583 13.172 724 HD2 LYS 91 2HD LYS 91 12.594 -6.511 13.756 725 HD3 LYS 91 3HD LYS 91 12.285 -7.729 12.516 726 HE2 LYS 91 2HE LYS 91 13.298 -8.614 15.172 727 HE3 LYS 91 3HE LYS 91 11.608 -8.131 15.032 728 HZ1 LYS 91 3HZ LYS 91 11.437 -9.737 13.154 729 HZ2 LYS 91 1HZ LYS 91 11.729 -10.454 14.658 730 HZ3 LYS 91 2HZ LYS 91 12.987 -10.291 13.540 731 H LEU 92 HN LEU 92 16.167 -6.602 10.953 732 HA LEU 92 HA LEU 92 17.834 -8.958 11.063 733 HB2 LEU 92 2HB LEU 92 16.493 -7.596 8.727 734 HB3 LEU 92 3HB LEU 92 17.314 -9.144 8.656 735 HG LEU 92 HG LEU 92 15.365 -9.289 10.730 736 HD11 LEU 92 1HD1 LEU 92 13.432 -9.069 8.900 737 HD12 LEU 92 2HD1 LEU 92 13.890 -7.750 9.978 738 HD13 LEU 92 3HD1 LEU 92 14.510 -7.796 8.328 739 HD21 LEU 92 3HD2 LEU 92 15.988 -10.622 8.158 740 HD22 LEU 92 1HD2 LEU 92 15.808 -11.302 9.775 741 HD23 LEU 92 2HD2 LEU 92 14.379 -10.874 8.835 742 H LYS 93 HN LYS 93 19.543 -7.226 11.868 743 HA LYS 93 HA LYS 93 21.349 -6.850 9.612 744 HB2 LYS 93 2HB LYS 93 19.946 -4.710 10.171 745 HB3 LYS 93 3HB LYS 93 21.049 -4.569 11.532 746 HG2 LYS 93 2HG LYS 93 22.841 -4.073 10.213 747 HG3 LYS 93 3HG LYS 93 22.212 -4.976 8.831 748 HD2 LYS 93 2HD LYS 93 20.341 -3.029 9.068 749 HD3 LYS 93 3HD LYS 93 21.784 -2.174 9.618 750 HE2 LYS 93 2HE LYS 93 21.380 -3.585 6.987 751 HE3 LYS 93 3HE LYS 93 21.569 -1.853 7.253 752 HZ1 LYS 93 3HZ LYS 93 23.605 -2.939 6.440 753 HZ2 LYS 93 1HZ LYS 93 23.655 -3.880 7.846 754 HZ3 LYS 93 2HZ LYS 93 23.824 -2.199 7.945 755 H GLN 94 HN GLN 94 23.253 -7.673 10.143 756 HA GLN 94 HA GLN 94 24.270 -7.332 12.864 757 HB2 GLN 94 2HB GLN 94 25.029 -9.751 12.824 758 HB3 GLN 94 3HB GLN 94 23.307 -9.486 13.057 759 HG2 GLN 94 2HG GLN 94 24.404 -9.980 10.322 760 HG3 GLN 94 3HG GLN 94 24.107 -11.322 11.428 761 HE21 GLN 94 1HE2 GLN 94 22.797 -9.459 9.038 762 HE22 GLN 94 2HE2 GLN 94 21.122 -9.776 9.318 763 H HIS 95 HN HIS 95 24.953 -6.104 10.343 764 HA HIS 95 HA HIS 95 27.795 -6.624 10.393 765 HB2 HIS 95 2HB HIS 95 26.536 -8.164 8.635 766 HB3 HIS 95 3HB HIS 95 26.606 -6.702 7.658 767 HD1 HIS 95 1HD HIS 95 28.184 -8.247 6.112 768 HD2 HIS 95 2HD HIS 95 29.742 -7.116 9.794 769 HE1 HIS 95 1HE HIS 95 30.662 -8.640 5.944 770 HE2 HIS 95 2HE HIS 95 31.594 -7.867 8.153 Start of MODEL 9 1 H1 MET 1 1H MET 1 6.350 -10.363 -6.287 2 H2 MET 1 2H MET 1 5.227 -11.643 -6.075 3 H3 MET 1 3H MET 1 5.339 -10.394 -4.903 4 HA MET 1 HA MET 1 4.386 -8.843 -6.263 5 HB2 MET 1 2HB MET 1 5.044 -10.824 -8.435 6 HB3 MET 1 3HB MET 1 3.900 -9.515 -8.699 7 HG2 MET 1 2HG MET 1 5.513 -7.900 -8.634 8 HG3 MET 1 3HG MET 1 6.580 -8.853 -7.604 9 HE1 MET 1 2HE MET 1 8.613 -8.179 -10.923 10 HE2 MET 1 3HE MET 1 7.204 -7.164 -10.615 11 HE3 MET 1 1HE MET 1 8.278 -7.606 -9.289 12 H GLN 2 HN GLN 2 3.502 -11.129 -4.645 13 HA GLN 2 HA GLN 2 1.031 -11.963 -5.951 14 HB2 GLN 2 2HB GLN 2 2.665 -13.407 -4.442 15 HB3 GLN 2 3HB GLN 2 1.693 -12.728 -3.143 16 HG2 GLN 2 2HG GLN 2 0.849 -14.895 -3.812 17 HG3 GLN 2 3HG GLN 2 -0.324 -13.629 -4.175 18 HE21 GLN 2 1HE2 GLN 2 -1.384 -14.682 -5.786 19 HE22 GLN 2 2HE2 GLN 2 -0.666 -15.079 -7.307 20 H LEU 3 HN LEU 3 0.663 -9.441 -5.774 21 HA LEU 3 HA LEU 3 -0.550 -8.757 -3.201 22 HB2 LEU 3 2HB LEU 3 -0.640 -6.484 -4.013 23 HB3 LEU 3 3HB LEU 3 0.976 -7.129 -4.224 24 HG LEU 3 HG LEU 3 -0.585 -7.555 -6.615 25 HD11 LEU 3 1HD1 LEU 3 -0.248 -4.668 -5.838 26 HD12 LEU 3 2HD1 LEU 3 -1.012 -5.318 -7.288 27 HD13 LEU 3 3HD1 LEU 3 -1.776 -5.539 -5.715 28 HD21 LEU 3 3HD2 LEU 3 1.938 -7.493 -6.245 29 HD22 LEU 3 1HD2 LEU 3 1.311 -6.679 -7.677 30 HD23 LEU 3 2HD2 LEU 3 1.778 -5.737 -6.262 31 H ASN 4 HN ASN 4 -2.695 -8.607 -2.894 32 HA ASN 4 HA ASN 4 -4.455 -8.717 -5.247 33 HB2 ASN 4 2HB ASN 4 -4.300 -10.600 -2.959 34 HB3 ASN 4 3HB ASN 4 -5.916 -10.147 -3.494 35 HD21 ASN 4 1HD2 ASN 4 -4.923 -12.736 -3.650 36 HD22 ASN 4 2HD2 ASN 4 -4.766 -13.172 -5.314 37 H ILE 5 HN ILE 5 -6.262 -7.473 -5.146 38 HA ILE 5 HA ILE 5 -6.744 -6.022 -2.625 39 HB ILE 5 HB ILE 5 -7.729 -4.263 -4.388 40 HG12 ILE 5 2HG1 ILE 5 -5.244 -5.105 -5.834 41 HG13 ILE 5 3HG1 ILE 5 -6.771 -5.894 -6.216 42 HG21 ILE 5 1HG2 ILE 5 -5.172 -3.387 -4.306 43 HG22 ILE 5 2HG2 ILE 5 -6.319 -3.246 -2.974 44 HG23 ILE 5 3HG2 ILE 5 -5.162 -4.575 -3.003 45 HD11 ILE 5 3HD1 ILE 5 -7.601 -3.398 -6.413 46 HD12 ILE 5 1HD1 ILE 5 -5.889 -3.112 -6.724 47 HD13 ILE 5 2HD1 ILE 5 -6.798 -4.222 -7.750 48 H THR 6 HN THR 6 -8.913 -5.384 -2.195 49 HA THR 6 HA THR 6 -10.969 -6.702 -3.820 50 HB THR 6 HB THR 6 -11.282 -6.689 -0.850 51 HG1 THR 6 1HG THR 6 -9.431 -7.736 -0.779 52 HG21 THR 6 3HG2 THR 6 -12.390 -8.849 -1.290 53 HG22 THR 6 1HG2 THR 6 -12.111 -8.604 -3.015 54 HG23 THR 6 2HG2 THR 6 -13.146 -7.489 -2.123 55 H GLY 7 HN GLY 7 -12.386 -5.219 -4.460 56 HA2 GLY 7 2HA GLY 7 -12.616 -2.738 -2.913 57 HA3 GLY 7 3HA GLY 7 -13.108 -2.958 -4.585 58 H ASN 8 HN ASN 8 -14.288 -2.349 -1.653 59 HA ASN 8 HA ASN 8 -16.732 -3.941 -2.024 60 HB2 ASN 8 2HB ASN 8 -17.227 -3.427 0.334 61 HB3 ASN 8 3HB ASN 8 -15.664 -4.220 0.168 62 HD21 ASN 8 1HD2 ASN 8 -13.830 -3.125 0.701 63 HD22 ASN 8 2HD2 ASN 8 -13.839 -1.579 1.470 64 H ASN 9 HN ASN 9 -18.244 -2.877 -3.127 65 HA ASN 9 HA ASN 9 -19.704 -1.256 -3.777 66 HB2 ASN 9 2HB ASN 9 -19.942 -1.023 -1.243 67 HB3 ASN 9 3HB ASN 9 -18.846 0.351 -1.370 68 HD21 ASN 9 1HD2 ASN 9 -20.011 2.115 -1.123 69 HD22 ASN 9 2HD2 ASN 9 -21.496 2.472 -1.930 70 H VAL 10 HN VAL 10 -17.071 -1.256 -4.798 71 HA VAL 10 HA VAL 10 -16.934 1.482 -5.739 72 HB VAL 10 HB VAL 10 -15.449 1.540 -3.801 73 HG11 VAL 10 1HG1 VAL 10 -13.705 0.090 -3.428 74 HG12 VAL 10 2HG1 VAL 10 -14.917 -0.986 -4.124 75 HG13 VAL 10 3HG1 VAL 10 -13.596 -0.382 -5.124 76 HG21 VAL 10 3HG2 VAL 10 -14.950 2.624 -6.155 77 HG22 VAL 10 1HG2 VAL 10 -13.789 2.733 -4.831 78 HG23 VAL 10 2HG2 VAL 10 -13.565 1.533 -6.103 79 H GLU 11 HN GLU 11 -16.370 1.581 -7.841 80 HA GLU 11 HA GLU 11 -16.031 -0.849 -9.300 81 HB2 GLU 11 2HB GLU 11 -15.830 0.649 -11.273 82 HB3 GLU 11 3HB GLU 11 -17.263 0.965 -10.305 83 HG2 GLU 11 2HG GLU 11 -15.111 2.597 -9.373 84 HG3 GLU 11 3HG GLU 11 -15.277 2.778 -11.118 85 H ILE 12 HN ILE 12 -14.193 -1.926 -9.499 86 HA ILE 12 HA ILE 12 -11.656 -0.691 -8.913 87 HB ILE 12 HB ILE 12 -12.185 -3.479 -9.946 88 HG12 ILE 12 2HG1 ILE 12 -13.392 -2.967 -7.823 89 HG13 ILE 12 3HG1 ILE 12 -12.165 -4.217 -7.643 90 HG21 ILE 12 1HG2 ILE 12 -9.964 -3.726 -8.502 91 HG22 ILE 12 2HG2 ILE 12 -9.937 -3.293 -10.212 92 HG23 ILE 12 3HG2 ILE 12 -9.783 -2.038 -8.981 93 HD11 ILE 12 3HD1 ILE 12 -10.990 -1.680 -7.098 94 HD12 ILE 12 1HD1 ILE 12 -12.473 -1.854 -6.158 95 HD13 ILE 12 2HD1 ILE 12 -11.198 -3.066 -6.029 96 H THR 13 HN THR 13 -11.206 0.794 -10.513 97 HA THR 13 HA THR 13 -11.187 -0.105 -13.293 98 HB THR 13 HB THR 13 -10.338 2.437 -13.463 99 HG1 THR 13 1HG THR 13 -12.013 2.470 -11.184 100 HG21 THR 13 3HG2 THR 13 -12.752 3.147 -13.567 101 HG22 THR 13 1HG2 THR 13 -13.164 1.489 -13.132 102 HG23 THR 13 2HG2 THR 13 -12.284 1.817 -14.625 103 H GLU 14 HN GLU 14 -9.355 -0.271 -14.533 104 HA GLU 14 HA GLU 14 -7.046 -1.247 -13.605 105 HB2 GLU 14 2HB GLU 14 -5.932 -0.309 -15.672 106 HB3 GLU 14 3HB GLU 14 -7.406 -1.229 -15.945 107 HG2 GLU 14 2HG GLU 14 -8.297 1.369 -15.648 108 HG3 GLU 14 3HG GLU 14 -6.795 1.534 -16.558 109 H ALA 15 HN ALA 15 -7.773 2.208 -13.820 110 HA ALA 15 HA ALA 15 -5.192 3.144 -13.190 111 HB1 ALA 15 1HB ALA 15 -7.914 4.288 -13.256 112 HB2 ALA 15 2HB ALA 15 -6.729 5.134 -12.263 113 HB3 ALA 15 3HB ALA 15 -6.416 4.876 -13.978 114 H LEU 16 HN LEU 16 -8.020 2.483 -11.149 115 HA LEU 16 HA LEU 16 -6.977 3.318 -8.710 116 HB2 LEU 16 2HB LEU 16 -9.320 2.773 -8.994 117 HB3 LEU 16 3HB LEU 16 -8.925 1.095 -9.314 118 HG LEU 16 HG LEU 16 -7.824 1.371 -6.861 119 HD11 LEU 16 1HD1 LEU 16 -8.782 3.754 -6.882 120 HD12 LEU 16 2HD1 LEU 16 -10.342 2.973 -6.626 121 HD13 LEU 16 3HD1 LEU 16 -9.045 2.757 -5.451 122 HD21 LEU 16 3HD2 LEU 16 -9.638 -0.214 -7.879 123 HD22 LEU 16 1HD2 LEU 16 -9.503 -0.020 -6.132 124 HD23 LEU 16 2HD2 LEU 16 -10.756 0.846 -7.021 125 H ARG 17 HN ARG 17 -7.290 -0.095 -9.687 126 HA ARG 17 HA ARG 17 -5.710 -1.220 -7.755 127 HB2 ARG 17 2HB ARG 17 -5.332 -3.104 -9.283 128 HB3 ARG 17 3HB ARG 17 -7.005 -2.569 -9.310 129 HG2 ARG 17 2HG ARG 17 -6.889 -1.856 -11.461 130 HG3 ARG 17 3HG ARG 17 -5.181 -1.428 -11.346 131 HD2 ARG 17 2HD ARG 17 -4.503 -3.681 -11.562 132 HD3 ARG 17 3HD ARG 17 -6.142 -4.275 -11.309 133 HE ARG 17 HE ARG 17 -5.009 -3.268 -13.767 134 HH11 ARG 17 2HH1 ARG 17 -7.941 -4.004 -12.020 135 HH12 ARG 17 1HH1 ARG 17 -8.899 -4.167 -13.452 136 HH21 ARG 17 2HH2 ARG 17 -6.271 -3.479 -15.649 137 HH22 ARG 17 1HH2 ARG 17 -7.952 -3.869 -15.512 138 H GLU 18 HN GLU 18 -4.657 0.305 -10.750 139 HA GLU 18 HA GLU 18 -1.957 -0.439 -10.658 140 HB2 GLU 18 2HB GLU 18 -3.554 1.642 -12.022 141 HB3 GLU 18 3HB GLU 18 -1.839 1.989 -11.856 142 HG2 GLU 18 2HG GLU 18 -1.232 0.393 -13.323 143 HG3 GLU 18 3HG GLU 18 -2.518 -0.706 -12.828 144 H PHE 19 HN PHE 19 -3.598 2.445 -9.378 145 HA PHE 19 HA PHE 19 -1.396 3.798 -8.385 146 HB2 PHE 19 2HB PHE 19 -3.737 4.672 -8.485 147 HB3 PHE 19 3HB PHE 19 -4.121 3.680 -7.083 148 HD1 PHE 19 2HD PHE 19 -1.539 6.169 -8.121 149 HD2 PHE 19 1HD PHE 19 -4.103 4.724 -5.047 150 HE1 PHE 19 2HE PHE 19 -0.777 7.980 -6.639 151 HE2 PHE 19 1HE PHE 19 -3.347 6.532 -3.560 152 HZ PHE 19 HZ PHE 19 -1.680 8.163 -4.355 153 H VAL 20 HN VAL 20 -3.393 1.342 -6.765 154 HA VAL 20 HA VAL 20 -2.050 1.401 -4.296 155 HB VAL 20 HB VAL 20 -3.340 -1.059 -5.468 156 HG11 VAL 20 1HG1 VAL 20 -3.658 -0.314 -2.635 157 HG12 VAL 20 2HG1 VAL 20 -3.379 -1.891 -3.372 158 HG13 VAL 20 3HG1 VAL 20 -2.032 -0.778 -3.134 159 HG21 VAL 20 3HG2 VAL 20 -4.552 1.500 -4.634 160 HG22 VAL 20 1HG2 VAL 20 -5.140 0.278 -5.762 161 HG23 VAL 20 2HG2 VAL 20 -5.325 0.038 -4.024 162 H THR 21 HN THR 21 -1.672 -0.826 -7.055 163 HA THR 21 HA THR 21 0.496 -2.260 -5.974 164 HB THR 21 HB THR 21 0.163 -1.870 -8.930 165 HG1 THR 21 1HG THR 21 -1.581 -3.267 -7.195 166 HG21 THR 21 3HG2 THR 21 0.298 -4.511 -8.560 167 HG22 THR 21 1HG2 THR 21 1.209 -3.970 -7.150 168 HG23 THR 21 2HG2 THR 21 1.718 -3.486 -8.769 169 H ALA 22 HN ALA 22 0.300 0.741 -7.748 170 HA ALA 22 HA ALA 22 2.963 0.989 -8.570 171 HB1 ALA 22 1HB ALA 22 1.737 2.621 -9.547 172 HB2 ALA 22 2HB ALA 22 0.701 2.840 -8.135 173 HB3 ALA 22 3HB ALA 22 2.312 3.557 -8.167 174 H LYS 23 HN LYS 23 1.376 1.999 -5.560 175 HA LYS 23 HA LYS 23 3.664 3.183 -4.395 176 HB2 LYS 23 2HB LYS 23 1.302 1.941 -2.973 177 HB3 LYS 23 3HB LYS 23 2.421 3.126 -2.311 178 HG2 LYS 23 2HG LYS 23 1.054 3.940 -4.783 179 HG3 LYS 23 3HG LYS 23 0.013 3.725 -3.373 180 HD2 LYS 23 2HD LYS 23 1.497 5.225 -2.088 181 HD3 LYS 23 3HD LYS 23 2.465 5.477 -3.542 182 HE2 LYS 23 2HE LYS 23 0.290 6.241 -4.643 183 HE3 LYS 23 3HE LYS 23 -0.369 6.316 -3.010 184 HZ1 LYS 23 3HZ LYS 23 2.179 7.658 -3.486 185 HZ2 LYS 23 1HZ LYS 23 0.889 8.107 -2.486 186 HZ3 LYS 23 2HZ LYS 23 0.799 8.374 -4.153 187 H PHE 24 HN PHE 24 2.144 0.004 -3.844 188 HA PHE 24 HA PHE 24 3.967 -1.039 -2.051 189 HB2 PHE 24 2HB PHE 24 2.038 -2.168 -3.985 190 HB3 PHE 24 3HB PHE 24 3.322 -3.260 -3.475 191 HD1 PHE 24 2HD PHE 24 3.501 -3.976 -1.161 192 HD2 PHE 24 1HD PHE 24 0.350 -1.419 -2.446 193 HE1 PHE 24 2HE PHE 24 2.272 -4.453 0.917 194 HE2 PHE 24 1HE PHE 24 -0.885 -1.892 -0.369 195 HZ PHE 24 HZ PHE 24 0.076 -3.410 1.314 196 H ALA 25 HN ALA 25 4.097 -1.067 -5.594 197 HA ALA 25 HA ALA 25 6.350 -2.626 -5.976 198 HB1 ALA 25 1HB ALA 25 4.953 -1.863 -7.815 199 HB2 ALA 25 2HB ALA 25 5.492 -0.203 -7.557 200 HB3 ALA 25 3HB ALA 25 6.638 -1.429 -8.101 201 H LYS 26 HN LYS 26 6.232 0.931 -5.660 202 HA LYS 26 HA LYS 26 8.957 1.426 -5.739 203 HB2 LYS 26 2HB LYS 26 7.112 3.134 -5.762 204 HB3 LYS 26 3HB LYS 26 6.970 2.918 -4.023 205 HG2 LYS 26 2HG LYS 26 9.658 3.397 -4.381 206 HG3 LYS 26 3HG LYS 26 8.890 4.461 -5.559 207 HD2 LYS 26 2HD LYS 26 7.654 5.580 -3.901 208 HD3 LYS 26 3HD LYS 26 7.967 4.323 -2.703 209 HE2 LYS 26 2HE LYS 26 10.226 4.978 -2.467 210 HE3 LYS 26 3HE LYS 26 10.157 5.996 -3.904 211 HZ1 LYS 26 3HZ LYS 26 10.082 7.293 -1.854 212 HZ2 LYS 26 1HZ LYS 26 8.669 6.491 -1.381 213 HZ3 LYS 26 2HZ LYS 26 8.660 7.485 -2.751 214 H LEU 27 HN LEU 27 7.002 0.130 -3.173 215 HA LEU 27 HA LEU 27 9.026 0.502 -1.143 216 HB2 LEU 27 2HB LEU 27 6.322 -0.777 -1.234 217 HB3 LEU 27 3HB LEU 27 7.403 -1.126 0.101 218 HG LEU 27 HG LEU 27 7.543 1.394 0.460 219 HD11 LEU 27 1HD1 LEU 27 5.007 1.418 -1.153 220 HD12 LEU 27 2HD1 LEU 27 5.878 2.788 -0.465 221 HD13 LEU 27 3HD1 LEU 27 6.570 1.892 -1.818 222 HD21 LEU 27 3HD2 LEU 27 5.945 1.207 2.042 223 HD22 LEU 27 1HD2 LEU 27 4.732 0.621 0.904 224 HD23 LEU 27 2HD2 LEU 27 5.949 -0.484 1.540 225 H GLU 28 HN GLU 28 8.046 -1.935 -3.402 226 HA GLU 28 HA GLU 28 9.226 -4.191 -2.211 227 HB2 GLU 28 2HB GLU 28 8.134 -3.476 -4.840 228 HB3 GLU 28 3HB GLU 28 9.387 -4.709 -4.894 229 HG2 GLU 28 2HG GLU 28 8.102 -6.257 -3.878 230 HG3 GLU 28 3HG GLU 28 7.293 -5.072 -2.852 231 H GLN 29 HN GLN 29 10.677 -1.441 -3.577 232 HA GLN 29 HA GLN 29 13.005 -2.626 -4.687 233 HB2 GLN 29 2HB GLN 29 12.258 -0.337 -5.234 234 HB3 GLN 29 3HB GLN 29 12.620 0.164 -3.586 235 HG2 GLN 29 2HG GLN 29 14.458 0.877 -4.807 236 HG3 GLN 29 3HG GLN 29 15.002 -0.627 -4.066 237 HE21 GLN 29 1HE2 GLN 29 16.376 -1.498 -5.456 238 HE22 GLN 29 2HE2 GLN 29 16.076 -1.767 -7.135 239 H TYR 30 HN TYR 30 12.536 -0.850 -1.630 240 HA TYR 30 HA TYR 30 15.039 -1.907 -0.614 241 HB2 TYR 30 2HB TYR 30 14.218 -0.568 1.495 242 HB3 TYR 30 3HB TYR 30 14.865 0.272 0.094 243 HD1 TYR 30 1HD TYR 30 11.599 -0.908 1.472 244 HD2 TYR 30 2HD TYR 30 13.672 2.052 -0.771 245 HE1 TYR 30 1HE TYR 30 9.536 0.421 1.332 246 HE2 TYR 30 2HE TYR 30 11.615 3.390 -0.917 247 HH TYR 30 HH TYR 30 8.951 2.883 1.002 248 H PHE 31 HN PHE 31 11.805 -2.883 -0.612 249 HA PHE 31 HA PHE 31 12.154 -4.441 1.854 250 HB2 PHE 31 2HB PHE 31 9.686 -3.763 0.250 251 HB3 PHE 31 3HB PHE 31 9.684 -4.922 1.574 252 HD1 PHE 31 1HD PHE 31 11.801 -3.153 3.162 253 HD2 PHE 31 2HD PHE 31 8.007 -2.423 1.379 254 HE1 PHE 31 1HE PHE 31 11.408 -1.325 4.756 255 HE2 PHE 31 2HE PHE 31 7.608 -0.590 2.969 256 HZ PHE 31 HZ PHE 31 9.311 -0.039 4.661 257 H ASP 32 HN ASP 32 12.770 -6.477 1.671 258 HA ASP 32 HA ASP 32 12.307 -7.868 -0.879 259 HB2 ASP 32 2HB ASP 32 14.157 -9.381 -0.130 260 HB3 ASP 32 3HB ASP 32 14.654 -7.709 -0.364 261 H ARG 33 HN ARG 33 11.732 -7.971 2.546 262 HA ARG 33 HA ARG 33 10.858 -10.708 2.592 263 HB2 ARG 33 2HB ARG 33 10.240 -8.608 4.662 264 HB3 ARG 33 3HB ARG 33 10.340 -10.349 4.882 265 HG2 ARG 33 2HG ARG 33 12.813 -9.168 3.886 266 HG3 ARG 33 3HG ARG 33 12.314 -8.544 5.459 267 HD2 ARG 33 2HD ARG 33 13.356 -10.354 6.272 268 HD3 ARG 33 3HD ARG 33 11.899 -11.214 5.779 269 HE ARG 33 HE ARG 33 14.503 -11.305 4.506 270 HH11 ARG 33 2HH1 ARG 33 11.102 -12.073 4.271 271 HH12 ARG 33 1HH1 ARG 33 11.335 -13.282 3.055 272 HH21 ARG 33 2HH2 ARG 33 14.804 -12.894 2.906 273 HH22 ARG 33 1HH2 ARG 33 13.434 -13.749 2.281 274 H ILE 34 HN ILE 34 9.426 -10.159 0.636 275 HA ILE 34 HA ILE 34 6.719 -9.683 1.658 276 HB ILE 34 HB ILE 34 7.672 -8.503 -0.950 277 HG12 ILE 34 2HG1 ILE 34 7.094 -6.992 1.601 278 HG13 ILE 34 3HG1 ILE 34 8.720 -7.470 1.121 279 HG21 ILE 34 1HG2 ILE 34 5.368 -8.850 -1.094 280 HG22 ILE 34 2HG2 ILE 34 5.102 -8.410 0.593 281 HG23 ILE 34 3HG2 ILE 34 5.513 -7.167 -0.590 282 HD11 ILE 34 3HD1 ILE 34 7.659 -5.095 0.542 283 HD12 ILE 34 1HD1 ILE 34 8.851 -5.893 -0.485 284 HD13 ILE 34 2HD1 ILE 34 7.136 -5.994 -0.883 285 H ASN 35 HN ASN 35 5.427 -11.315 1.115 286 HA ASN 35 HA ASN 35 6.026 -12.817 -1.346 287 HB2 ASN 35 2HB ASN 35 4.992 -14.804 -0.034 288 HB3 ASN 35 3HB ASN 35 6.656 -14.338 0.307 289 HD21 ASN 35 1HD2 ASN 35 6.890 -12.729 2.116 290 HD22 ASN 35 2HD2 ASN 35 5.898 -12.972 3.509 291 H GLN 36 HN GLN 36 3.438 -12.374 1.081 292 HA GLN 36 HA GLN 36 1.535 -12.131 -1.152 293 HB2 GLN 36 2HB GLN 36 1.332 -14.353 -0.092 294 HB3 GLN 36 3HB GLN 36 1.038 -13.575 1.458 295 HG2 GLN 36 2HG GLN 36 -1.074 -12.896 0.875 296 HG3 GLN 36 3HG GLN 36 -0.719 -12.911 -0.852 297 HE21 GLN 36 1HE2 GLN 36 -2.878 -14.031 -0.729 298 HE22 GLN 36 2HE2 GLN 36 -2.856 -15.752 -0.574 299 H VAL 37 HN VAL 37 0.655 -10.181 -1.147 300 HA VAL 37 HA VAL 37 0.103 -8.890 1.444 301 HB VAL 37 HB VAL 37 0.289 -6.724 -0.065 302 HG11 VAL 37 1HG1 VAL 37 2.011 -8.098 1.746 303 HG12 VAL 37 2HG1 VAL 37 2.994 -7.315 0.507 304 HG13 VAL 37 3HG1 VAL 37 1.857 -6.364 1.461 305 HG21 VAL 37 3HG2 VAL 37 2.256 -6.981 -1.614 306 HG22 VAL 37 1HG2 VAL 37 2.037 -8.726 -1.481 307 HG23 VAL 37 2HG2 VAL 37 0.757 -7.726 -2.165 308 H TYR 38 HN TYR 38 -1.900 -8.062 1.738 309 HA TYR 38 HA TYR 38 -3.694 -7.939 -0.583 310 HB2 TYR 38 2HB TYR 38 -5.492 -8.717 1.186 311 HB3 TYR 38 3HB TYR 38 -4.525 -9.890 0.301 312 HD1 TYR 38 1HD TYR 38 -2.303 -10.631 1.486 313 HD2 TYR 38 2HD TYR 38 -5.616 -8.874 3.494 314 HE1 TYR 38 1HE TYR 38 -1.523 -11.600 3.606 315 HE2 TYR 38 2HE TYR 38 -4.846 -9.835 5.621 316 HH TYR 38 HH TYR 38 -1.812 -11.010 6.116 317 H VAL 39 HN VAL 39 -5.061 -6.247 -0.653 318 HA VAL 39 HA VAL 39 -5.260 -4.501 1.702 319 HB VAL 39 HB VAL 39 -4.816 -3.400 -1.070 320 HG11 VAL 39 1HG1 VAL 39 -4.681 -1.314 -0.085 321 HG12 VAL 39 2HG1 VAL 39 -5.934 -2.093 0.880 322 HG13 VAL 39 3HG1 VAL 39 -4.289 -1.974 1.503 323 HG21 VAL 39 3HG2 VAL 39 -2.519 -3.034 -0.562 324 HG22 VAL 39 1HG2 VAL 39 -2.732 -3.599 1.095 325 HG23 VAL 39 2HG2 VAL 39 -2.856 -4.736 -0.247 326 H VAL 40 HN VAL 40 -7.167 -3.315 1.872 327 HA VAL 40 HA VAL 40 -9.160 -3.587 -0.249 328 HB VAL 40 HB VAL 40 -9.822 -4.328 2.605 329 HG11 VAL 40 1HG1 VAL 40 -11.598 -5.263 0.514 330 HG12 VAL 40 2HG1 VAL 40 -11.960 -4.349 1.979 331 HG13 VAL 40 3HG1 VAL 40 -11.449 -3.506 0.517 332 HG21 VAL 40 3HG2 VAL 40 -10.159 -6.643 1.410 333 HG22 VAL 40 1HG2 VAL 40 -8.951 -6.002 0.298 334 HG23 VAL 40 2HG2 VAL 40 -8.574 -6.161 2.013 335 H LEU 41 HN LEU 41 -10.489 -1.908 -0.428 336 HA LEU 41 HA LEU 41 -10.455 0.120 1.688 337 HB2 LEU 41 2HB LEU 41 -10.577 1.750 -0.375 338 HB3 LEU 41 3HB LEU 41 -9.046 1.195 0.271 339 HG LEU 41 HG LEU 41 -9.132 1.165 -2.197 340 HD11 LEU 41 1HD1 LEU 41 -7.733 -0.561 -2.275 341 HD12 LEU 41 2HD1 LEU 41 -8.014 -0.656 -0.537 342 HD13 LEU 41 3HD1 LEU 41 -8.930 -1.688 -1.635 343 HD21 LEU 41 3HD2 LEU 41 -10.549 -0.197 -3.435 344 HD22 LEU 41 1HD2 LEU 41 -11.002 -1.162 -2.033 345 HD23 LEU 41 2HD2 LEU 41 -11.606 0.485 -2.201 346 H LYS 42 HN LYS 42 -12.366 0.924 2.234 347 HA LYS 42 HA LYS 42 -14.688 0.165 0.608 348 HB2 LYS 42 2HB LYS 42 -15.055 -0.667 2.753 349 HB3 LYS 42 3HB LYS 42 -14.307 0.724 3.531 350 HG2 LYS 42 2HG LYS 42 -16.231 2.093 3.015 351 HG3 LYS 42 3HG LYS 42 -16.966 0.766 2.114 352 HD2 LYS 42 2HD LYS 42 -17.993 0.832 4.267 353 HD3 LYS 42 3HD LYS 42 -16.928 -0.575 4.228 354 HE2 LYS 42 2HE LYS 42 -15.244 1.332 5.172 355 HE3 LYS 42 3HE LYS 42 -16.780 1.872 5.851 356 HZ1 LYS 42 3HZ LYS 42 -16.166 -0.964 6.099 357 HZ2 LYS 42 1HZ LYS 42 -16.921 0.080 7.194 358 HZ3 LYS 42 2HZ LYS 42 -15.237 0.091 7.039 359 H VAL 43 HN VAL 43 -15.994 1.657 -0.291 360 HA VAL 43 HA VAL 43 -15.302 4.486 0.168 361 HB VAL 43 HB VAL 43 -16.505 3.320 -2.342 362 HG11 VAL 43 1HG1 VAL 43 -15.149 5.979 -1.968 363 HG12 VAL 43 2HG1 VAL 43 -16.120 5.431 -3.334 364 HG13 VAL 43 3HG1 VAL 43 -16.888 5.757 -1.780 365 HG21 VAL 43 3HG2 VAL 43 -14.143 3.890 -3.236 366 HG22 VAL 43 1HG2 VAL 43 -13.657 3.777 -1.543 367 HG23 VAL 43 2HG2 VAL 43 -14.382 2.385 -2.346 368 H GLU 44 HN GLU 44 -16.799 5.560 1.244 369 HA GLU 44 HA GLU 44 -19.620 5.099 0.601 370 HB2 GLU 44 2HB GLU 44 -20.080 5.468 3.108 371 HB3 GLU 44 3HB GLU 44 -19.509 3.886 2.597 372 HG2 GLU 44 2HG GLU 44 -17.222 4.542 3.261 373 HG3 GLU 44 3HG GLU 44 -17.872 6.066 3.867 374 H LYS 45 HN LYS 45 -20.987 6.901 0.989 375 HA LYS 45 HA LYS 45 -19.977 9.357 0.242 376 HB2 LYS 45 2HB LYS 45 -22.423 8.464 0.356 377 HB3 LYS 45 3HB LYS 45 -22.428 9.191 1.957 378 HG2 LYS 45 2HG LYS 45 -21.378 11.034 0.013 379 HG3 LYS 45 3HG LYS 45 -22.966 10.440 -0.477 380 HD2 LYS 45 2HD LYS 45 -22.753 11.156 2.362 381 HD3 LYS 45 3HD LYS 45 -22.538 12.507 1.247 382 HE2 LYS 45 2HE LYS 45 -24.659 12.084 0.223 383 HE3 LYS 45 3HE LYS 45 -24.850 10.580 1.124 384 HZ1 LYS 45 3HZ LYS 45 -25.276 13.323 1.984 385 HZ2 LYS 45 1HZ LYS 45 -24.554 12.301 3.121 386 HZ3 LYS 45 2HZ LYS 45 -26.060 11.904 2.463 387 H VAL 46 HN VAL 46 -19.943 7.923 3.384 388 HA VAL 46 HA VAL 46 -19.628 10.439 4.769 389 HB VAL 46 HB VAL 46 -19.307 7.625 5.812 390 HG11 VAL 46 1HG1 VAL 46 -18.122 9.211 7.202 391 HG12 VAL 46 2HG1 VAL 46 -19.540 10.259 7.260 392 HG13 VAL 46 3HG1 VAL 46 -19.584 8.672 8.028 393 HG21 VAL 46 3HG2 VAL 46 -21.602 8.673 4.899 394 HG22 VAL 46 1HG2 VAL 46 -21.520 7.547 6.255 395 HG23 VAL 46 2HG2 VAL 46 -21.632 9.281 6.555 396 H THR 47 HN THR 47 -17.542 7.618 5.267 397 HA THR 47 HA THR 47 -15.217 9.298 4.617 398 HB THR 47 HB THR 47 -15.224 7.351 6.914 399 HG1 THR 47 1HG THR 47 -15.536 9.201 8.241 400 HG21 THR 47 3HG2 THR 47 -13.044 8.155 5.989 401 HG22 THR 47 1HG2 THR 47 -13.317 8.512 7.695 402 HG23 THR 47 2HG2 THR 47 -13.513 9.781 6.486 403 H HIS 48 HN HIS 48 -13.304 8.169 3.991 404 HA HIS 48 HA HIS 48 -13.891 5.555 2.786 405 HB2 HIS 48 2HB HIS 48 -11.627 7.473 2.186 406 HB3 HIS 48 3HB HIS 48 -11.995 5.992 1.305 407 HD1 HIS 48 1HD HIS 48 -12.823 6.731 -0.909 408 HD2 HIS 48 2HD HIS 48 -14.453 8.974 2.187 409 HE1 HIS 48 1HE HIS 48 -14.493 8.264 -1.997 410 HE2 HIS 48 2HE HIS 48 -15.406 9.670 -0.116 411 H THR 49 HN THR 49 -12.806 3.747 3.383 412 HA THR 49 HA THR 49 -10.533 4.078 5.229 413 HB THR 49 HB THR 49 -12.752 2.041 5.495 414 HG1 THR 49 1HG THR 49 -13.354 3.239 7.287 415 HG21 THR 49 3HG2 THR 49 -11.259 0.895 6.677 416 HG22 THR 49 1HG2 THR 49 -11.460 2.155 7.895 417 HG23 THR 49 2HG2 THR 49 -10.129 2.248 6.741 418 H SER 50 HN SER 50 -8.873 2.651 5.051 419 HA SER 50 HA SER 50 -9.099 0.471 3.102 420 HB2 SER 50 2HB SER 50 -6.787 2.426 3.108 421 HB3 SER 50 3HB SER 50 -7.037 1.084 1.992 422 HG SER 50 HG SER 50 -8.928 3.164 2.248 423 H ASP 51 HN ASP 51 -7.768 -1.295 3.488 424 HA ASP 51 HA ASP 51 -6.212 -1.189 5.988 425 HB2 ASP 51 2HB ASP 51 -6.900 -3.488 6.459 426 HB3 ASP 51 3HB ASP 51 -8.308 -2.443 6.298 427 H ALA 52 HN ALA 52 -4.313 -2.393 6.088 428 HA ALA 52 HA ALA 52 -3.405 -3.620 3.576 429 HB1 ALA 52 1HB ALA 52 -1.250 -2.558 3.754 430 HB2 ALA 52 2HB ALA 52 -2.507 -1.320 3.764 431 HB3 ALA 52 3HB ALA 52 -1.715 -1.786 5.270 432 H THR 53 HN THR 53 -2.133 -5.406 3.781 433 HA THR 53 HA THR 53 -1.237 -6.205 6.451 434 HB THR 53 HB THR 53 -2.436 -8.371 4.833 435 HG1 THR 53 1HG THR 53 -3.966 -6.322 6.032 436 HG21 THR 53 3HG2 THR 53 -2.196 -7.679 7.714 437 HG22 THR 53 1HG2 THR 53 -1.782 -9.172 6.871 438 HG23 THR 53 2HG2 THR 53 -3.470 -8.778 7.190 439 H LEU 54 HN LEU 54 0.907 -6.295 6.124 440 HA LEU 54 HA LEU 54 1.911 -7.520 3.659 441 HB2 LEU 54 2HB LEU 54 3.055 -5.640 5.678 442 HB3 LEU 54 3HB LEU 54 4.145 -6.632 4.727 443 HG LEU 54 HG LEU 54 2.148 -5.259 3.095 444 HD11 LEU 54 1HD1 LEU 54 2.928 -3.723 5.178 445 HD12 LEU 54 2HD1 LEU 54 4.206 -3.374 4.016 446 HD13 LEU 54 3HD1 LEU 54 2.520 -3.097 3.581 447 HD21 LEU 54 3HD2 LEU 54 5.163 -5.312 3.060 448 HD22 LEU 54 1HD2 LEU 54 4.102 -6.427 2.200 449 HD23 LEU 54 2HD2 LEU 54 4.118 -4.716 1.769 450 H HIS 55 HN HIS 55 3.288 -9.265 3.656 451 HA HIS 55 HA HIS 55 3.365 -10.799 6.161 452 HB2 HIS 55 2HB HIS 55 3.300 -11.559 3.271 453 HB3 HIS 55 3HB HIS 55 4.064 -12.657 4.417 454 HD1 HIS 55 1HD HIS 55 2.516 -14.364 5.287 455 HD2 HIS 55 2HD HIS 55 0.529 -10.848 4.310 456 HE1 HIS 55 1HE HIS 55 0.088 -14.812 5.756 457 HE2 HIS 55 2HE HIS 55 -1.084 -12.643 5.244 458 H VAL 56 HN VAL 56 5.250 -11.481 7.049 459 HA VAL 56 HA VAL 56 7.747 -10.941 5.601 460 HB VAL 56 HB VAL 56 7.436 -10.271 8.523 461 HG11 VAL 56 1HG1 VAL 56 9.513 -9.449 6.501 462 HG12 VAL 56 2HG1 VAL 56 9.515 -9.081 8.225 463 HG13 VAL 56 3HG1 VAL 56 9.705 -10.746 7.679 464 HG21 VAL 56 3HG2 VAL 56 5.934 -8.845 7.183 465 HG22 VAL 56 1HG2 VAL 56 7.253 -7.935 7.918 466 HG23 VAL 56 2HG2 VAL 56 7.313 -8.346 6.204 467 H ASN 57 HN ASN 57 9.556 -12.189 6.304 468 HA ASN 57 HA ASN 57 8.906 -14.848 7.002 469 HB2 ASN 57 2HB ASN 57 11.491 -13.344 6.694 470 HB3 ASN 57 3HB ASN 57 11.484 -15.000 7.295 471 HD21 ASN 57 1HD2 ASN 57 12.524 -15.862 5.543 472 HD22 ASN 57 2HD2 ASN 57 11.802 -15.977 3.978 473 H GLY 58 HN GLY 58 8.116 -15.321 8.960 474 HA2 GLY 58 2HA GLY 58 8.615 -15.920 11.216 475 HA3 GLY 58 3HA GLY 58 9.752 -14.584 11.287 476 H GLY 59 HN GLY 59 7.618 -12.858 9.943 477 HA2 GLY 59 2HA GLY 59 5.622 -12.674 12.063 478 HA3 GLY 59 3HA GLY 59 6.730 -11.318 11.918 479 H GLU 60 HN GLU 60 3.995 -10.997 11.656 480 HA GLU 60 HA GLU 60 3.840 -10.104 8.872 481 HB2 GLU 60 2HB GLU 60 1.679 -11.679 10.285 482 HB3 GLU 60 3HB GLU 60 1.475 -10.867 8.739 483 HG2 GLU 60 2HG GLU 60 2.809 -12.371 7.617 484 HG3 GLU 60 3HG GLU 60 3.660 -12.867 9.080 485 H ILE 61 HN ILE 61 3.054 -8.085 8.676 486 HA ILE 61 HA ILE 61 2.040 -6.796 11.109 487 HB ILE 61 HB ILE 61 2.832 -5.334 8.608 488 HG12 ILE 61 2HG1 ILE 61 5.016 -5.093 10.243 489 HG13 ILE 61 3HG1 ILE 61 4.570 -6.778 10.495 490 HG21 ILE 61 1HG2 ILE 61 3.506 -3.674 10.504 491 HG22 ILE 61 2HG2 ILE 61 1.813 -3.846 10.037 492 HG23 ILE 61 3HG2 ILE 61 2.417 -4.655 11.483 493 HD11 ILE 61 3HD1 ILE 61 4.992 -5.548 7.786 494 HD12 ILE 61 1HD1 ILE 61 6.242 -6.396 8.695 495 HD13 ILE 61 2HD1 ILE 61 4.793 -7.257 8.175 496 H HIS 62 HN HIS 62 0.064 -5.845 11.212 497 HA HIS 62 HA HIS 62 -1.571 -5.766 8.779 498 HB2 HIS 62 2HB HIS 62 -1.990 -7.793 10.386 499 HB3 HIS 62 3HB HIS 62 -2.806 -6.595 11.385 500 HD1 HIS 62 1HD HIS 62 -4.545 -8.773 10.362 501 HD2 HIS 62 2HD HIS 62 -3.804 -5.331 8.154 502 HE1 HIS 62 1HE HIS 62 -6.458 -8.590 8.739 503 HE2 HIS 62 2HE HIS 62 -5.940 -6.552 7.354 504 H ALA 63 HN ALA 63 -2.036 -3.672 8.492 505 HA ALA 63 HA ALA 63 -3.075 -2.159 10.775 506 HB1 ALA 63 1HB ALA 63 -1.737 -0.159 9.922 507 HB2 ALA 63 2HB ALA 63 -0.857 -1.405 10.807 508 HB3 ALA 63 3HB ALA 63 -0.760 -1.340 9.048 509 H SER 64 HN SER 64 -4.095 -0.074 10.060 510 HA SER 64 HA SER 64 -5.059 -0.117 7.302 511 HB2 SER 64 2HB SER 64 -6.767 -0.306 9.775 512 HB3 SER 64 3HB SER 64 -7.394 0.427 8.299 513 HG SER 64 HG SER 64 -6.530 -2.227 8.722 514 H ALA 65 HN ALA 65 -5.797 1.930 6.554 515 HA ALA 65 HA ALA 65 -5.449 4.186 8.386 516 HB1 ALA 65 1HB ALA 65 -3.288 3.712 7.171 517 HB2 ALA 65 2HB ALA 65 -4.119 4.188 5.690 518 HB3 ALA 65 3HB ALA 65 -3.927 5.347 7.005 519 H GLU 66 HN GLU 66 -6.396 6.149 7.673 520 HA GLU 66 HA GLU 66 -8.193 5.967 5.366 521 HB2 GLU 66 2HB GLU 66 -9.955 7.122 6.822 522 HB3 GLU 66 3HB GLU 66 -9.700 5.402 7.080 523 HG2 GLU 66 2HG GLU 66 -8.323 5.883 9.026 524 HG3 GLU 66 3HG GLU 66 -8.538 7.613 8.760 525 H GLY 67 HN GLY 67 -9.073 8.123 4.748 526 HA2 GLY 67 2HA GLY 67 -7.534 10.396 5.753 527 HA3 GLY 67 3HA GLY 67 -7.338 9.985 4.057 528 H GLN 68 HN GLN 68 -8.872 10.598 2.602 529 HA GLN 68 HA GLN 68 -11.369 11.740 3.609 530 HB2 GLN 68 2HB GLN 68 -9.666 13.559 3.337 531 HB3 GLN 68 3HB GLN 68 -9.612 13.179 1.621 532 HG2 GLN 68 2HG GLN 68 -12.160 13.572 1.688 533 HG3 GLN 68 3HG GLN 68 -11.831 14.391 3.213 534 HE21 GLN 68 1HE2 GLN 68 -12.934 15.846 1.277 535 HE22 GLN 68 2HE2 GLN 68 -11.792 16.943 0.586 536 H ASP 69 HN ASP 69 -9.596 10.123 1.118 537 HA ASP 69 HA ASP 69 -12.062 9.389 -0.189 538 HB2 ASP 69 2HB ASP 69 -11.034 9.978 -2.468 539 HB3 ASP 69 3HB ASP 69 -11.691 11.302 -1.512 540 H MET 70 HN MET 70 -11.427 7.912 -2.178 541 HA MET 70 HA MET 70 -10.131 5.670 -1.148 542 HB2 MET 70 2HB MET 70 -11.768 5.656 -3.022 543 HB3 MET 70 3HB MET 70 -10.528 6.335 -4.066 544 HG2 MET 70 2HG MET 70 -10.112 4.213 -4.596 545 HG3 MET 70 3HG MET 70 -9.237 4.175 -3.068 546 HE1 MET 70 3HE MET 70 -11.778 2.583 -5.217 547 HE2 MET 70 1HE MET 70 -10.485 1.553 -4.603 548 HE3 MET 70 2HE MET 70 -12.164 1.199 -4.195 549 H TYR 71 HN TYR 71 -8.819 8.463 -2.709 550 HA TYR 71 HA TYR 71 -6.317 7.170 -3.387 551 HB2 TYR 71 2HB TYR 71 -7.201 10.057 -3.537 552 HB3 TYR 71 3HB TYR 71 -5.624 9.481 -4.061 553 HD1 TYR 71 1HD TYR 71 -5.808 7.360 -5.725 554 HD2 TYR 71 2HD TYR 71 -8.788 10.346 -5.177 555 HE1 TYR 71 1HE TYR 71 -6.731 6.835 -7.942 556 HE2 TYR 71 2HE TYR 71 -9.721 9.829 -7.394 557 HH TYR 71 HH TYR 71 -8.493 8.659 -9.679 558 H ALA 72 HN ALA 72 -7.518 9.469 -0.984 559 HA ALA 72 HA ALA 72 -5.000 9.954 0.234 560 HB1 ALA 72 1HB ALA 72 -6.923 10.411 2.184 561 HB2 ALA 72 2HB ALA 72 -6.265 11.593 1.051 562 HB3 ALA 72 3HB ALA 72 -7.754 10.731 0.663 563 H ALA 73 HN ALA 73 -7.608 7.660 0.855 564 HA ALA 73 HA ALA 73 -6.755 6.630 3.294 565 HB1 ALA 73 1HB ALA 73 -8.253 4.901 2.959 566 HB2 ALA 73 2HB ALA 73 -8.900 6.161 1.909 567 HB3 ALA 73 3HB ALA 73 -7.954 4.841 1.221 568 H ILE 74 HN ILE 74 -5.752 5.806 0.011 569 HA ILE 74 HA ILE 74 -4.081 3.626 0.830 570 HB ILE 74 HB ILE 74 -4.024 5.145 -1.780 571 HG12 ILE 74 2HG1 ILE 74 -6.258 4.198 -1.268 572 HG13 ILE 74 3HG1 ILE 74 -5.500 3.417 -2.652 573 HG21 ILE 74 1HG2 ILE 74 -2.956 3.166 -2.683 574 HG22 ILE 74 2HG2 ILE 74 -2.022 3.791 -1.324 575 HG23 ILE 74 3HG2 ILE 74 -3.048 2.372 -1.111 576 HD11 ILE 74 3HD1 ILE 74 -5.464 2.294 0.135 577 HD12 ILE 74 1HD1 ILE 74 -6.655 1.868 -1.093 578 HD13 ILE 74 2HD1 ILE 74 -4.950 1.497 -1.351 579 H ASP 75 HN ASP 75 -3.671 7.055 0.305 580 HA ASP 75 HA ASP 75 -0.863 7.133 0.141 581 HB2 ASP 75 2HB ASP 75 -3.024 9.025 0.373 582 HB3 ASP 75 3HB ASP 75 -1.705 9.490 1.444 583 H GLY 76 HN GLY 76 -2.993 7.711 2.947 584 HA2 GLY 76 2HA GLY 76 -0.847 7.845 4.811 585 HA3 GLY 76 3HA GLY 76 -2.550 7.661 5.205 586 H LEU 77 HN LEU 77 -2.768 5.223 3.541 587 HA LEU 77 HA LEU 77 -2.169 3.324 5.560 588 HB2 LEU 77 2HB LEU 77 -4.051 2.974 4.107 589 HB3 LEU 77 3HB LEU 77 -3.027 3.021 2.685 590 HG LEU 77 HG LEU 77 -2.059 0.897 3.207 591 HD11 LEU 77 1HD1 LEU 77 -3.284 -0.217 5.341 592 HD12 LEU 77 2HD1 LEU 77 -1.705 0.562 5.398 593 HD13 LEU 77 3HD1 LEU 77 -3.144 1.459 5.878 594 HD21 LEU 77 3HD2 LEU 77 -3.831 -0.362 2.595 595 HD22 LEU 77 1HD2 LEU 77 -4.849 0.244 3.900 596 HD23 LEU 77 2HD2 LEU 77 -4.617 1.210 2.443 597 H ILE 78 HN ILE 78 -0.692 4.110 2.450 598 HA ILE 78 HA ILE 78 1.338 2.082 2.713 599 HB ILE 78 HB ILE 78 1.075 4.364 0.751 600 HG12 ILE 78 2HG1 ILE 78 -0.711 2.726 0.536 601 HG13 ILE 78 3HG1 ILE 78 0.401 2.572 -0.820 602 HG21 ILE 78 1HG2 ILE 78 3.241 3.965 0.334 603 HG22 ILE 78 2HG2 ILE 78 3.229 2.449 1.235 604 HG23 ILE 78 3HG2 ILE 78 2.670 2.485 -0.437 605 HD11 ILE 78 3HD1 ILE 78 -0.413 0.610 1.082 606 HD12 ILE 78 1HD1 ILE 78 0.572 0.418 -0.369 607 HD13 ILE 78 2HD1 ILE 78 1.335 0.829 1.168 608 H ASP 79 HN ASP 79 0.912 5.260 3.863 609 HA ASP 79 HA ASP 79 3.684 5.994 3.945 610 HB2 ASP 79 2HB ASP 79 1.489 7.484 4.039 611 HB3 ASP 79 3HB ASP 79 1.681 7.245 5.773 612 H LYS 80 HN LYS 80 1.315 5.203 6.496 613 HA LYS 80 HA LYS 80 3.256 4.942 8.534 614 HB2 LYS 80 2HB LYS 80 1.379 3.692 9.734 615 HB3 LYS 80 3HB LYS 80 1.056 5.355 9.264 616 HG2 LYS 80 2HG LYS 80 -0.649 4.760 7.971 617 HG3 LYS 80 3HG LYS 80 0.281 3.473 7.201 618 HD2 LYS 80 2HD LYS 80 -1.242 2.162 8.250 619 HD3 LYS 80 3HD LYS 80 -0.123 2.349 9.603 620 HE2 LYS 80 2HE LYS 80 -2.565 4.046 9.093 621 HE3 LYS 80 3HE LYS 80 -2.454 2.735 10.268 622 HZ1 LYS 80 3HZ LYS 80 -2.141 4.945 11.261 623 HZ2 LYS 80 1HZ LYS 80 -0.765 5.177 10.302 624 HZ3 LYS 80 2HZ LYS 80 -0.787 3.953 11.470 625 H LEU 81 HN LEU 81 1.820 2.657 6.275 626 HA LEU 81 HA LEU 81 2.723 0.282 7.466 627 HB2 LEU 81 2HB LEU 81 1.917 1.078 4.704 628 HB3 LEU 81 3HB LEU 81 2.695 -0.474 4.937 629 HG LEU 81 HG LEU 81 0.058 -0.199 4.973 630 HD11 LEU 81 1HD1 LEU 81 1.809 -2.016 6.584 631 HD12 LEU 81 2HD1 LEU 81 0.054 -2.193 6.595 632 HD13 LEU 81 3HD1 LEU 81 0.947 -2.341 5.080 633 HD21 LEU 81 3HD2 LEU 81 0.217 1.415 6.911 634 HD22 LEU 81 1HD2 LEU 81 -0.879 0.051 7.133 635 HD23 LEU 81 2HD2 LEU 81 0.709 0.041 7.903 636 H ALA 82 HN ALA 82 4.204 2.292 4.926 637 HA ALA 82 HA ALA 82 6.485 0.776 4.474 638 HB1 ALA 82 1HB ALA 82 6.643 3.760 4.464 639 HB2 ALA 82 2HB ALA 82 7.337 2.596 3.336 640 HB3 ALA 82 3HB ALA 82 5.605 2.927 3.306 641 H ARG 83 HN ARG 83 6.220 3.616 6.617 642 HA ARG 83 HA ARG 83 8.718 3.544 7.759 643 HB2 ARG 83 2HB ARG 83 6.062 4.344 8.935 644 HB3 ARG 83 3HB ARG 83 7.577 4.558 9.802 645 HG2 ARG 83 2HG ARG 83 8.086 5.682 7.337 646 HG3 ARG 83 3HG ARG 83 6.413 6.137 7.667 647 HD2 ARG 83 2HD ARG 83 7.633 6.579 10.081 648 HD3 ARG 83 3HD ARG 83 8.894 7.028 8.933 649 HE ARG 83 HE ARG 83 6.698 8.297 7.981 650 HH11 ARG 83 2HH1 ARG 83 8.246 8.201 11.108 651 HH12 ARG 83 1HH1 ARG 83 7.755 9.805 11.539 652 HH21 ARG 83 2HH2 ARG 83 6.051 10.406 8.546 653 HH22 ARG 83 1HH2 ARG 83 6.508 11.057 10.084 654 H GLN 84 HN GLN 84 5.958 1.510 8.456 655 HA GLN 84 HA GLN 84 7.074 0.371 10.842 656 HB2 GLN 84 2HB GLN 84 4.779 -0.514 9.088 657 HB3 GLN 84 3HB GLN 84 5.206 -1.269 10.618 658 HG2 GLN 84 2HG GLN 84 4.896 1.594 10.883 659 HG3 GLN 84 3HG GLN 84 3.447 0.831 10.231 660 HE21 GLN 84 1HE2 GLN 84 2.842 -1.246 11.429 661 HE22 GLN 84 2HE2 GLN 84 2.890 -1.161 13.153 662 H LEU 85 HN LEU 85 6.707 -0.692 7.479 663 HA LEU 85 HA LEU 85 7.812 -3.244 7.758 664 HB2 LEU 85 2HB LEU 85 7.474 -1.344 5.485 665 HB3 LEU 85 3HB LEU 85 8.503 -2.741 5.252 666 HG LEU 85 HG LEU 85 6.097 -2.960 4.488 667 HD11 LEU 85 1HD1 LEU 85 7.861 -4.800 5.549 668 HD12 LEU 85 2HD1 LEU 85 6.336 -5.157 6.362 669 HD13 LEU 85 3HD1 LEU 85 6.417 -5.154 4.601 670 HD21 LEU 85 3HD2 LEU 85 4.773 -2.027 6.139 671 HD22 LEU 85 1HD2 LEU 85 4.604 -3.753 6.451 672 HD23 LEU 85 2HD2 LEU 85 5.685 -2.780 7.447 673 H THR 86 HN THR 86 9.360 -0.141 7.028 674 HA THR 86 HA THR 86 11.965 -1.187 6.666 675 HB THR 86 HB THR 86 12.481 1.348 7.390 676 HG1 THR 86 1HG THR 86 10.765 2.645 7.106 677 HG21 THR 86 3HG2 THR 86 12.711 0.246 5.108 678 HG22 THR 86 1HG2 THR 86 12.425 1.986 5.152 679 HG23 THR 86 2HG2 THR 86 11.100 0.882 4.776 680 H LYS 87 HN LYS 87 10.283 0.146 9.478 681 HA LYS 87 HA LYS 87 12.380 0.320 11.269 682 HB2 LYS 87 2HB LYS 87 9.898 0.967 11.552 683 HB3 LYS 87 3HB LYS 87 9.673 -0.687 12.104 684 HG2 LYS 87 2HG LYS 87 10.005 0.372 14.094 685 HG3 LYS 87 3HG LYS 87 11.665 -0.090 13.704 686 HD2 LYS 87 2HD LYS 87 11.985 2.166 12.698 687 HD3 LYS 87 3HD LYS 87 10.375 2.604 13.273 688 HE2 LYS 87 2HE LYS 87 12.607 1.648 15.058 689 HE3 LYS 87 3HE LYS 87 12.249 3.346 14.752 690 HZ1 LYS 87 3HZ LYS 87 10.086 3.068 15.720 691 HZ2 LYS 87 1HZ LYS 87 11.244 2.497 16.814 692 HZ3 LYS 87 2HZ LYS 87 10.323 1.404 15.910 693 H HIS 88 HN HIS 88 10.101 -2.424 11.142 694 HA HIS 88 HA HIS 88 11.660 -4.102 12.765 695 HB2 HIS 88 2HB HIS 88 10.079 -5.756 12.359 696 HB3 HIS 88 3HB HIS 88 9.160 -4.288 12.052 697 HD1 HIS 88 1HD HIS 88 8.070 -4.095 9.812 698 HD2 HIS 88 2HD HIS 88 10.949 -7.088 9.918 699 HE1 HIS 88 1HE HIS 88 7.867 -5.304 7.618 700 HE2 HIS 88 2HE HIS 88 9.572 -7.153 7.730 701 H LYS 89 HN LYS 89 11.465 -3.798 9.244 702 HA LYS 89 HA LYS 89 13.091 -5.962 8.558 703 HB2 LYS 89 2HB LYS 89 11.698 -4.629 6.974 704 HB3 LYS 89 3HB LYS 89 12.878 -3.331 7.087 705 HG2 LYS 89 2HG LYS 89 14.512 -5.335 6.408 706 HG3 LYS 89 3HG LYS 89 13.022 -5.911 5.662 707 HD2 LYS 89 2HD LYS 89 13.307 -4.495 3.972 708 HD3 LYS 89 3HD LYS 89 13.284 -3.134 5.095 709 HE2 LYS 89 2HE LYS 89 15.787 -4.723 4.860 710 HE3 LYS 89 3HE LYS 89 15.368 -3.631 3.540 711 HZ1 LYS 89 3HZ LYS 89 16.786 -2.788 5.523 712 HZ2 LYS 89 1HZ LYS 89 15.292 -2.642 6.306 713 HZ3 LYS 89 2HZ LYS 89 15.581 -1.793 4.872 714 H ASP 90 HN ASP 90 13.917 -2.953 10.004 715 HA ASP 90 HA ASP 90 16.648 -2.904 9.132 716 HB2 ASP 90 2HB ASP 90 15.066 -0.986 10.094 717 HB3 ASP 90 3HB ASP 90 15.803 -1.487 11.614 718 H LYS 91 HN LYS 91 14.887 -4.174 11.878 719 HA LYS 91 HA LYS 91 16.954 -4.640 13.666 720 HB2 LYS 91 2HB LYS 91 14.320 -5.940 13.143 721 HB3 LYS 91 3HB LYS 91 15.447 -6.749 14.225 722 HG2 LYS 91 2HG LYS 91 15.153 -5.246 15.868 723 HG3 LYS 91 3HG LYS 91 15.046 -3.886 14.750 724 HD2 LYS 91 2HD LYS 91 12.782 -4.143 14.441 725 HD3 LYS 91 3HD LYS 91 12.819 -5.866 14.825 726 HE2 LYS 91 2HE LYS 91 13.489 -5.032 17.203 727 HE3 LYS 91 3HE LYS 91 12.787 -3.508 16.663 728 HZ1 LYS 91 3HZ LYS 91 11.265 -6.007 16.349 729 HZ2 LYS 91 1HZ LYS 91 10.698 -4.421 16.512 730 HZ3 LYS 91 2HZ LYS 91 11.314 -5.242 17.856 731 H LEU 92 HN LEU 92 16.110 -6.347 10.742 732 HA LEU 92 HA LEU 92 17.682 -8.669 11.274 733 HB2 LEU 92 2HB LEU 92 16.375 -7.523 8.831 734 HB3 LEU 92 3HB LEU 92 17.472 -8.884 8.690 735 HG LEU 92 HG LEU 92 15.899 -9.898 10.570 736 HD11 LEU 92 1HD1 LEU 92 13.679 -9.191 10.520 737 HD12 LEU 92 2HD1 LEU 92 14.598 -7.686 10.558 738 HD13 LEU 92 3HD1 LEU 92 13.908 -8.261 9.039 739 HD21 LEU 92 3HD2 LEU 92 16.068 -10.065 7.713 740 HD22 LEU 92 1HD2 LEU 92 15.667 -11.323 8.883 741 HD23 LEU 92 2HD2 LEU 92 14.397 -10.291 8.226 742 H LYS 93 HN LYS 93 18.167 -6.332 8.634 743 HA LYS 93 HA LYS 93 20.038 -5.398 7.745 744 HB2 LYS 93 2HB LYS 93 20.569 -5.536 10.599 745 HB3 LYS 93 3HB LYS 93 22.051 -5.660 9.660 746 HG2 LYS 93 2HG LYS 93 21.894 -3.536 8.864 747 HG3 LYS 93 3HG LYS 93 20.129 -3.528 8.917 748 HD2 LYS 93 2HD LYS 93 20.569 -2.127 10.668 749 HD3 LYS 93 3HD LYS 93 20.563 -3.672 11.522 750 HE2 LYS 93 2HE LYS 93 23.145 -3.559 10.761 751 HE3 LYS 93 3HE LYS 93 22.795 -1.838 10.919 752 HZ1 LYS 93 3HZ LYS 93 21.761 -2.638 13.173 753 HZ2 LYS 93 1HZ LYS 93 23.420 -2.330 13.038 754 HZ3 LYS 93 2HZ LYS 93 22.845 -3.920 12.976 755 H GLN 94 HN GLN 94 21.678 -7.737 9.852 756 HA GLN 94 HA GLN 94 22.585 -9.153 7.430 757 HB2 GLN 94 2HB GLN 94 24.692 -9.636 8.651 758 HB3 GLN 94 3HB GLN 94 24.443 -7.920 8.357 759 HG2 GLN 94 2HG GLN 94 23.532 -9.071 10.942 760 HG3 GLN 94 3HG GLN 94 25.256 -8.802 10.687 761 HE21 GLN 94 1HE2 GLN 94 22.508 -7.462 11.866 762 HE22 GLN 94 2HE2 GLN 94 22.933 -5.789 11.777 763 H HIS 95 HN HIS 95 23.674 -11.358 8.284 764 HA HIS 95 HA HIS 95 21.765 -12.613 10.140 765 HB2 HIS 95 2HB HIS 95 22.412 -13.324 7.346 766 HB3 HIS 95 3HB HIS 95 22.373 -14.674 8.475 767 HD1 HIS 95 1HD HIS 95 20.068 -11.662 8.444 768 HD2 HIS 95 2HD HIS 95 19.953 -15.777 7.881 769 HE1 HIS 95 1HE HIS 95 17.632 -12.242 8.217 770 HE2 HIS 95 2HE HIS 95 17.583 -14.748 7.964 Start of MODEL 10 1 H1 MET 1 1H MET 1 5.451 -12.485 -4.712 2 H2 MET 1 2H MET 1 6.536 -12.092 -5.982 3 H3 MET 1 3H MET 1 5.314 -13.271 -6.228 4 HA MET 1 HA MET 1 4.738 -10.473 -5.552 5 HB2 MET 1 2HB MET 1 5.478 -11.775 -8.121 6 HB3 MET 1 3HB MET 1 4.148 -10.627 -8.166 7 HG2 MET 1 2HG MET 1 5.948 -9.206 -6.763 8 HG3 MET 1 3HG MET 1 7.026 -10.181 -7.758 9 HE1 MET 1 2HE MET 1 7.073 -7.304 -7.646 10 HE2 MET 1 3HE MET 1 7.851 -7.573 -9.207 11 HE3 MET 1 1HE MET 1 6.523 -6.420 -9.069 12 H GLN 2 HN GLN 2 3.427 -12.498 -4.313 13 HA GLN 2 HA GLN 2 0.996 -12.985 -5.882 14 HB2 GLN 2 2HB GLN 2 2.469 -14.658 -4.244 15 HB3 GLN 2 3HB GLN 2 1.108 -14.208 -3.229 16 HG2 GLN 2 2HG GLN 2 0.037 -15.880 -4.227 17 HG3 GLN 2 3HG GLN 2 -0.116 -14.785 -5.600 18 HE21 GLN 2 1HE2 GLN 2 -0.249 -16.799 -6.814 19 HE22 GLN 2 2HE2 GLN 2 1.213 -17.577 -7.306 20 H LEU 3 HN LEU 3 0.401 -10.714 -5.626 21 HA LEU 3 HA LEU 3 -0.856 -10.222 -3.006 22 HB2 LEU 3 2HB LEU 3 -0.415 -7.894 -3.185 23 HB3 LEU 3 3HB LEU 3 1.094 -8.735 -3.479 24 HG LEU 3 HG LEU 3 -0.493 -8.038 -5.881 25 HD11 LEU 3 1HD1 LEU 3 -0.068 -5.758 -5.871 26 HD12 LEU 3 2HD1 LEU 3 -0.584 -6.068 -4.214 27 HD13 LEU 3 3HD1 LEU 3 1.130 -5.885 -4.584 28 HD21 LEU 3 3HD2 LEU 3 1.964 -9.060 -5.476 29 HD22 LEU 3 1HD2 LEU 3 1.512 -8.134 -6.908 30 HD23 LEU 3 2HD2 LEU 3 2.356 -7.342 -5.576 31 H ASN 4 HN ASN 4 -2.885 -9.214 -2.997 32 HA ASN 4 HA ASN 4 -4.194 -8.756 -5.562 33 HB2 ASN 4 2HB ASN 4 -4.774 -11.008 -3.742 34 HB3 ASN 4 3HB ASN 4 -6.183 -10.119 -4.311 35 HD21 ASN 4 1HD2 ASN 4 -3.997 -12.542 -5.000 36 HD22 ASN 4 2HD2 ASN 4 -4.354 -12.752 -6.677 37 H ILE 5 HN ILE 5 -6.388 -7.802 -5.266 38 HA ILE 5 HA ILE 5 -6.614 -6.303 -2.744 39 HB ILE 5 HB ILE 5 -7.663 -4.505 -4.443 40 HG12 ILE 5 2HG1 ILE 5 -5.369 -5.753 -5.977 41 HG13 ILE 5 3HG1 ILE 5 -7.068 -5.847 -6.435 42 HG21 ILE 5 1HG2 ILE 5 -5.094 -3.664 -4.457 43 HG22 ILE 5 2HG2 ILE 5 -6.179 -3.526 -3.074 44 HG23 ILE 5 3HG2 ILE 5 -5.042 -4.872 -3.173 45 HD11 ILE 5 3HD1 ILE 5 -5.457 -4.074 -7.500 46 HD12 ILE 5 1HD1 ILE 5 -7.139 -3.681 -7.140 47 HD13 ILE 5 2HD1 ILE 5 -5.859 -3.164 -6.043 48 H THR 6 HN THR 6 -8.751 -5.608 -2.194 49 HA THR 6 HA THR 6 -10.914 -6.887 -3.708 50 HB THR 6 HB THR 6 -11.133 -6.885 -0.742 51 HG1 THR 6 1HG THR 6 -9.408 -8.581 -2.199 52 HG21 THR 6 3HG2 THR 6 -11.720 -9.241 -2.438 53 HG22 THR 6 1HG2 THR 6 -12.778 -7.835 -2.571 54 HG23 THR 6 2HG2 THR 6 -12.556 -8.630 -1.011 55 H GLY 7 HN GLY 7 -12.347 -5.383 -4.258 56 HA2 GLY 7 2HA GLY 7 -12.480 -2.926 -2.654 57 HA3 GLY 7 3HA GLY 7 -13.003 -3.087 -4.323 58 H ASN 8 HN ASN 8 -14.085 -2.654 -1.284 59 HA ASN 8 HA ASN 8 -16.582 -4.145 -1.705 60 HB2 ASN 8 2HB ASN 8 -16.982 -3.425 0.749 61 HB3 ASN 8 3HB ASN 8 -15.804 -4.692 0.435 62 HD21 ASN 8 1HD2 ASN 8 -15.340 -3.821 2.716 63 HD22 ASN 8 2HD2 ASN 8 -14.108 -2.614 2.809 64 H ASN 9 HN ASN 9 -18.096 -2.998 -2.708 65 HA ASN 9 HA ASN 9 -19.565 -1.328 -3.198 66 HB2 ASN 9 2HB ASN 9 -19.538 -1.132 -0.610 67 HB3 ASN 9 3HB ASN 9 -18.529 0.286 -0.881 68 HD21 ASN 9 1HD2 ASN 9 -21.678 -1.131 -1.383 69 HD22 ASN 9 2HD2 ASN 9 -22.508 0.347 -1.712 70 H VAL 10 HN VAL 10 -16.905 -1.404 -4.284 71 HA VAL 10 HA VAL 10 -16.782 1.312 -5.287 72 HB VAL 10 HB VAL 10 -15.265 1.408 -3.373 73 HG11 VAL 10 1HG1 VAL 10 -13.648 -0.103 -2.914 74 HG12 VAL 10 2HG1 VAL 10 -14.721 -1.167 -3.822 75 HG13 VAL 10 3HG1 VAL 10 -13.324 -0.440 -4.615 76 HG21 VAL 10 3HG2 VAL 10 -13.443 1.349 -5.731 77 HG22 VAL 10 1HG2 VAL 10 -14.808 2.464 -5.734 78 HG23 VAL 10 2HG2 VAL 10 -13.598 2.557 -4.456 79 H GLU 11 HN GLU 11 -16.239 1.369 -7.400 80 HA GLU 11 HA GLU 11 -15.856 -1.125 -8.774 81 HB2 GLU 11 2HB GLU 11 -16.975 1.298 -9.447 82 HB3 GLU 11 3HB GLU 11 -15.460 1.322 -10.340 83 HG2 GLU 11 2HG GLU 11 -16.519 0.170 -11.911 84 HG3 GLU 11 3HG GLU 11 -16.437 -1.210 -10.816 85 H ILE 12 HN ILE 12 -13.955 -2.076 -9.022 86 HA ILE 12 HA ILE 12 -11.487 -0.732 -8.514 87 HB ILE 12 HB ILE 12 -11.948 -3.463 -9.721 88 HG12 ILE 12 2HG1 ILE 12 -12.951 -3.098 -7.448 89 HG13 ILE 12 3HG1 ILE 12 -11.714 -4.350 -7.501 90 HG21 ILE 12 1HG2 ILE 12 -9.574 -3.621 -8.441 91 HG22 ILE 12 2HG2 ILE 12 -9.748 -3.264 -10.159 92 HG23 ILE 12 3HG2 ILE 12 -9.529 -1.951 -9.003 93 HD11 ILE 12 3HD1 ILE 12 -10.457 -1.879 -6.889 94 HD12 ILE 12 1HD1 ILE 12 -11.851 -2.082 -5.829 95 HD13 ILE 12 2HD1 ILE 12 -10.603 -3.327 -5.891 96 H THR 13 HN THR 13 -11.176 0.906 -9.988 97 HA THR 13 HA THR 13 -11.251 0.291 -12.837 98 HB THR 13 HB THR 13 -10.494 2.816 -12.881 99 HG1 THR 13 1HG THR 13 -11.300 3.903 -11.027 100 HG21 THR 13 3HG2 THR 13 -13.182 1.684 -12.363 101 HG22 THR 13 1HG2 THR 13 -12.574 2.581 -13.755 102 HG23 THR 13 2HG2 THR 13 -12.979 3.432 -12.263 103 H GLU 14 HN GLU 14 -9.499 0.031 -14.102 104 HA GLU 14 HA GLU 14 -7.121 -0.896 -13.320 105 HB2 GLU 14 2HB GLU 14 -6.153 -0.032 -15.455 106 HB3 GLU 14 3HB GLU 14 -7.690 -0.866 -15.641 107 HG2 GLU 14 2HG GLU 14 -8.813 1.356 -15.675 108 HG3 GLU 14 3HG GLU 14 -7.216 2.104 -15.677 109 H ALA 15 HN ALA 15 -7.942 2.534 -13.425 110 HA ALA 15 HA ALA 15 -5.317 3.502 -12.984 111 HB1 ALA 15 1HB ALA 15 -6.813 5.499 -12.015 112 HB2 ALA 15 2HB ALA 15 -6.596 5.211 -13.741 113 HB3 ALA 15 3HB ALA 15 -8.048 4.629 -12.926 114 H LEU 16 HN LEU 16 -8.040 2.878 -10.786 115 HA LEU 16 HA LEU 16 -6.812 3.738 -8.425 116 HB2 LEU 16 2HB LEU 16 -9.271 2.835 -9.048 117 HB3 LEU 16 3HB LEU 16 -8.631 1.409 -8.255 118 HG LEU 16 HG LEU 16 -9.907 2.878 -6.730 119 HD11 LEU 16 1HD1 LEU 16 -8.041 3.092 -4.999 120 HD12 LEU 16 2HD1 LEU 16 -8.370 1.486 -5.649 121 HD13 LEU 16 3HD1 LEU 16 -6.985 2.408 -6.235 122 HD21 LEU 16 3HD2 LEU 16 -9.460 5.066 -6.395 123 HD22 LEU 16 1HD2 LEU 16 -7.723 4.857 -6.617 124 HD23 LEU 16 2HD2 LEU 16 -8.786 4.950 -8.021 125 H ARG 17 HN ARG 17 -7.157 0.402 -9.638 126 HA ARG 17 HA ARG 17 -5.607 -0.847 -7.696 127 HB2 ARG 17 2HB ARG 17 -5.416 -2.715 -9.223 128 HB3 ARG 17 3HB ARG 17 -7.035 -2.039 -9.327 129 HG2 ARG 17 2HG ARG 17 -6.469 -0.911 -11.391 130 HG3 ARG 17 3HG ARG 17 -4.805 -1.482 -11.272 131 HD2 ARG 17 2HD ARG 17 -6.813 -3.604 -11.108 132 HD3 ARG 17 3HD ARG 17 -6.811 -2.734 -12.642 133 HE ARG 17 HE ARG 17 -4.789 -4.525 -11.658 134 HH11 ARG 17 2HH1 ARG 17 -5.446 -1.857 -13.810 135 HH12 ARG 17 1HH1 ARG 17 -4.113 -2.209 -14.856 136 HH21 ARG 17 2HH2 ARG 17 -3.033 -4.989 -13.033 137 HH22 ARG 17 1HH2 ARG 17 -2.743 -3.988 -14.416 138 H GLU 18 HN GLU 18 -4.629 0.600 -10.775 139 HA GLU 18 HA GLU 18 -1.950 -0.185 -10.768 140 HB2 GLU 18 2HB GLU 18 -3.499 2.019 -12.035 141 HB3 GLU 18 3HB GLU 18 -1.746 2.152 -12.035 142 HG2 GLU 18 2HG GLU 18 -2.668 -0.475 -12.860 143 HG3 GLU 18 3HG GLU 18 -3.282 0.820 -13.885 144 H PHE 19 HN PHE 19 -3.493 2.696 -9.384 145 HA PHE 19 HA PHE 19 -1.200 4.011 -8.506 146 HB2 PHE 19 2HB PHE 19 -3.473 5.002 -8.526 147 HB3 PHE 19 3HB PHE 19 -3.913 3.975 -7.167 148 HD1 PHE 19 2HD PHE 19 -1.837 6.813 -8.235 149 HD2 PHE 19 1HD PHE 19 -3.232 4.500 -4.949 150 HE1 PHE 19 2HE PHE 19 -1.002 8.528 -6.680 151 HE2 PHE 19 1HE PHE 19 -2.401 6.208 -3.387 152 HZ PHE 19 HZ PHE 19 -1.284 8.225 -4.251 153 H VAL 20 HN VAL 20 -3.192 1.579 -6.859 154 HA VAL 20 HA VAL 20 -1.830 1.600 -4.405 155 HB VAL 20 HB VAL 20 -3.152 -0.814 -5.644 156 HG11 VAL 20 1HG1 VAL 20 -3.262 -1.712 -3.541 157 HG12 VAL 20 2HG1 VAL 20 -1.745 -0.820 -3.421 158 HG13 VAL 20 3HG1 VAL 20 -3.223 -0.138 -2.745 159 HG21 VAL 20 3HG2 VAL 20 -5.065 0.224 -4.061 160 HG22 VAL 20 1HG2 VAL 20 -4.297 1.709 -4.625 161 HG23 VAL 20 2HG2 VAL 20 -4.947 0.554 -5.790 162 H THR 21 HN THR 21 -1.462 -0.593 -7.191 163 HA THR 21 HA THR 21 0.716 -2.035 -6.145 164 HB THR 21 HB THR 21 0.080 -1.555 -9.062 165 HG1 THR 21 1HG THR 21 -1.756 -2.344 -8.110 166 HG21 THR 21 3HG2 THR 21 0.857 -4.086 -8.992 167 HG22 THR 21 1HG2 THR 21 1.809 -3.484 -7.636 168 HG23 THR 21 2HG2 THR 21 1.988 -2.756 -9.233 169 H ALA 22 HN ALA 22 0.508 1.003 -7.852 170 HA ALA 22 HA ALA 22 3.143 1.264 -8.737 171 HB1 ALA 22 1HB ALA 22 1.020 3.233 -7.984 172 HB2 ALA 22 2HB ALA 22 2.641 3.785 -8.403 173 HB3 ALA 22 3HB ALA 22 1.693 2.865 -9.572 174 H LYS 23 HN LYS 23 1.682 2.180 -5.631 175 HA LYS 23 HA LYS 23 4.054 3.265 -4.523 176 HB2 LYS 23 2HB LYS 23 1.718 2.084 -3.013 177 HB3 LYS 23 3HB LYS 23 2.878 3.265 -2.420 178 HG2 LYS 23 2HG LYS 23 1.316 3.990 -4.827 179 HG3 LYS 23 3HG LYS 23 0.463 3.941 -3.283 180 HD2 LYS 23 2HD LYS 23 1.675 5.681 -2.405 181 HD3 LYS 23 3HD LYS 23 3.079 5.356 -3.423 182 HE2 LYS 23 2HE LYS 23 1.260 6.011 -5.302 183 HE3 LYS 23 3HE LYS 23 0.680 6.987 -3.954 184 HZ1 LYS 23 3HZ LYS 23 3.413 7.033 -5.116 185 HZ2 LYS 23 1HZ LYS 23 2.933 7.909 -3.750 186 HZ3 LYS 23 2HZ LYS 23 2.239 8.244 -5.257 187 H PHE 24 HN PHE 24 2.446 0.116 -4.083 188 HA PHE 24 HA PHE 24 4.230 -1.048 -2.325 189 HB2 PHE 24 2HB PHE 24 2.264 -2.028 -4.285 190 HB3 PHE 24 3HB PHE 24 3.539 -3.176 -3.894 191 HD1 PHE 24 2HD PHE 24 3.882 -3.859 -1.523 192 HD2 PHE 24 1HD PHE 24 0.525 -1.560 -2.766 193 HE1 PHE 24 2HE PHE 24 2.709 -4.457 0.555 194 HE2 PHE 24 1HE PHE 24 -0.656 -2.153 -0.690 195 HZ PHE 24 HZ PHE 24 0.438 -3.605 0.974 196 H ALA 25 HN ALA 25 4.366 -0.992 -5.876 197 HA ALA 25 HA ALA 25 6.613 -2.547 -6.285 198 HB1 ALA 25 1HB ALA 25 5.717 -1.998 -8.290 199 HB2 ALA 25 2HB ALA 25 5.278 -0.370 -7.771 200 HB3 ALA 25 3HB ALA 25 6.942 -0.729 -8.232 201 H LYS 26 HN LYS 26 6.485 0.985 -5.787 202 HA LYS 26 HA LYS 26 9.202 1.513 -5.876 203 HB2 LYS 26 2HB LYS 26 7.104 3.081 -5.600 204 HB3 LYS 26 3HB LYS 26 7.486 2.945 -3.890 205 HG2 LYS 26 2HG LYS 26 9.926 3.518 -5.003 206 HG3 LYS 26 3HG LYS 26 8.811 4.464 -5.991 207 HD2 LYS 26 2HD LYS 26 9.028 5.987 -4.346 208 HD3 LYS 26 3HD LYS 26 7.852 4.974 -3.508 209 HE2 LYS 26 2HE LYS 26 9.630 3.798 -2.364 210 HE3 LYS 26 3HE LYS 26 10.845 4.702 -3.267 211 HZ1 LYS 26 3HZ LYS 26 8.949 5.769 -1.251 212 HZ2 LYS 26 1HZ LYS 26 9.919 6.747 -2.233 213 HZ3 LYS 26 2HZ LYS 26 10.635 5.684 -1.129 214 H LEU 27 HN LEU 27 7.295 0.062 -3.344 215 HA LEU 27 HA LEU 27 9.324 0.345 -1.319 216 HB2 LEU 27 2HB LEU 27 6.677 -1.025 -1.506 217 HB3 LEU 27 3HB LEU 27 7.789 -1.504 -0.236 218 HG LEU 27 HG LEU 27 7.876 0.973 0.401 219 HD11 LEU 27 1HD1 LEU 27 5.231 1.154 -0.980 220 HD12 LEU 27 2HD1 LEU 27 6.276 2.444 -0.383 221 HD13 LEU 27 3HD1 LEU 27 6.716 1.558 -1.843 222 HD21 LEU 27 3HD2 LEU 27 5.513 -0.830 0.757 223 HD22 LEU 27 1HD2 LEU 27 6.784 -0.416 1.907 224 HD23 LEU 27 2HD2 LEU 27 5.546 0.771 1.496 225 H GLU 28 HN GLU 28 8.369 -2.035 -3.682 226 HA GLU 28 HA GLU 28 9.691 -4.283 -2.707 227 HB2 GLU 28 2HB GLU 28 8.513 -3.432 -5.220 228 HB3 GLU 28 3HB GLU 28 9.932 -4.437 -5.478 229 HG2 GLU 28 2HG GLU 28 8.486 -6.127 -5.297 230 HG3 GLU 28 3HG GLU 28 8.649 -5.853 -3.563 231 H GLN 29 HN GLN 29 11.036 -1.362 -3.830 232 HA GLN 29 HA GLN 29 13.470 -2.404 -4.891 233 HB2 GLN 29 2HB GLN 29 12.608 -0.166 -5.477 234 HB3 GLN 29 3HB GLN 29 12.861 0.357 -3.818 235 HG2 GLN 29 2HG GLN 29 15.088 0.578 -4.080 236 HG3 GLN 29 3HG GLN 29 15.206 -0.783 -5.192 237 HE21 GLN 29 1HE2 GLN 29 16.202 0.025 -6.914 238 HE22 GLN 29 2HE2 GLN 29 15.693 1.417 -7.804 239 H TYR 30 HN TYR 30 12.653 -0.804 -1.809 240 HA TYR 30 HA TYR 30 15.198 -1.717 -0.701 241 HB2 TYR 30 2HB TYR 30 14.286 -0.331 1.335 242 HB3 TYR 30 3HB TYR 30 14.970 0.483 -0.064 243 HD1 TYR 30 1HD TYR 30 11.781 -0.467 1.569 244 HD2 TYR 30 2HD TYR 30 13.672 1.977 -1.355 245 HE1 TYR 30 1HE TYR 30 9.708 0.830 1.319 246 HE2 TYR 30 2HE TYR 30 11.604 3.280 -1.612 247 HH TYR 30 HH TYR 30 9.159 3.291 0.531 248 H PHE 31 HN PHE 31 11.818 -2.432 -0.565 249 HA PHE 31 HA PHE 31 12.192 -4.092 1.821 250 HB2 PHE 31 2HB PHE 31 9.756 -3.068 0.386 251 HB3 PHE 31 3HB PHE 31 9.640 -4.409 1.518 252 HD1 PHE 31 1HD PHE 31 11.475 -3.655 3.626 253 HD2 PHE 31 2HD PHE 31 8.764 -1.248 1.405 254 HE1 PHE 31 1HE PHE 31 11.351 -2.073 5.503 255 HE2 PHE 31 2HE PHE 31 8.634 0.342 3.277 256 HZ PHE 31 HZ PHE 31 9.929 -0.068 5.331 257 H ASP 32 HN ASP 32 12.686 -6.154 1.575 258 HA ASP 32 HA ASP 32 12.016 -7.481 -0.960 259 HB2 ASP 32 2HB ASP 32 14.251 -7.761 0.990 260 HB3 ASP 32 3HB ASP 32 13.732 -9.207 0.130 261 H ARG 33 HN ARG 33 11.546 -7.593 2.485 262 HA ARG 33 HA ARG 33 10.558 -10.257 2.625 263 HB2 ARG 33 2HB ARG 33 9.888 -8.001 4.511 264 HB3 ARG 33 3HB ARG 33 9.877 -9.724 4.854 265 HG2 ARG 33 2HG ARG 33 12.442 -8.529 3.976 266 HG3 ARG 33 3HG ARG 33 11.866 -8.136 5.597 267 HD2 ARG 33 2HD ARG 33 12.009 -10.319 6.323 268 HD3 ARG 33 3HD ARG 33 11.869 -10.979 4.695 269 HE ARG 33 HE ARG 33 14.273 -10.244 6.050 270 HH11 ARG 33 2HH1 ARG 33 12.785 -10.512 2.903 271 HH12 ARG 33 1HH1 ARG 33 14.291 -10.711 2.071 272 HH21 ARG 33 2HH2 ARG 33 16.254 -10.505 4.956 273 HH22 ARG 33 1HH2 ARG 33 16.260 -10.707 3.236 274 H ILE 34 HN ILE 34 9.233 -9.832 0.565 275 HA ILE 34 HA ILE 34 6.484 -9.278 1.415 276 HB ILE 34 HB ILE 34 7.574 -8.254 -1.206 277 HG12 ILE 34 2HG1 ILE 34 6.900 -6.602 1.232 278 HG13 ILE 34 3HG1 ILE 34 8.539 -7.111 0.842 279 HG21 ILE 34 1HG2 ILE 34 5.025 -8.827 -0.584 280 HG22 ILE 34 2HG2 ILE 34 5.114 -7.168 0.007 281 HG23 ILE 34 3HG2 ILE 34 5.489 -7.526 -1.678 282 HD11 ILE 34 3HD1 ILE 34 8.778 -5.417 -0.556 283 HD12 ILE 34 1HD1 ILE 34 7.327 -5.884 -1.444 284 HD13 ILE 34 2HD1 ILE 34 7.198 -4.825 -0.039 285 H ASN 35 HN ASN 35 5.458 -11.148 1.118 286 HA ASN 35 HA ASN 35 6.007 -12.663 -1.351 287 HB2 ASN 35 2HB ASN 35 5.092 -14.641 0.077 288 HB3 ASN 35 3HB ASN 35 6.753 -14.110 0.311 289 HD21 ASN 35 1HD2 ASN 35 7.036 -12.434 2.045 290 HD22 ASN 35 2HD2 ASN 35 6.127 -12.652 3.497 291 H GLN 36 HN GLN 36 3.477 -12.302 1.147 292 HA GLN 36 HA GLN 36 1.496 -12.226 -1.028 293 HB2 GLN 36 2HB GLN 36 1.369 -14.383 0.126 294 HB3 GLN 36 3HB GLN 36 1.191 -13.559 1.668 295 HG2 GLN 36 2HG GLN 36 -0.995 -13.329 1.391 296 HG3 GLN 36 3HG GLN 36 -0.792 -12.671 -0.232 297 HE21 GLN 36 1HE2 GLN 36 0.114 -15.839 1.041 298 HE22 GLN 36 2HE2 GLN 36 -0.888 -16.753 -0.029 299 H VAL 37 HN VAL 37 0.558 -10.297 -1.107 300 HA VAL 37 HA VAL 37 -0.006 -8.911 1.430 301 HB VAL 37 HB VAL 37 0.674 -7.480 -1.133 302 HG11 VAL 37 1HG1 VAL 37 1.277 -5.822 0.935 303 HG12 VAL 37 2HG1 VAL 37 -0.253 -5.822 0.059 304 HG13 VAL 37 3HG1 VAL 37 -0.107 -6.700 1.581 305 HG21 VAL 37 3HG2 VAL 37 2.838 -7.871 -0.830 306 HG22 VAL 37 1HG2 VAL 37 2.743 -7.181 0.790 307 HG23 VAL 37 2HG2 VAL 37 2.464 -8.905 0.548 308 H TYR 38 HN TYR 38 -2.029 -8.141 1.673 309 HA TYR 38 HA TYR 38 -3.777 -8.074 -0.686 310 HB2 TYR 38 2HB TYR 38 -5.606 -8.792 1.079 311 HB3 TYR 38 3HB TYR 38 -4.631 -9.994 0.243 312 HD1 TYR 38 1HD TYR 38 -2.425 -10.703 1.486 313 HD2 TYR 38 2HD TYR 38 -5.772 -8.887 3.386 314 HE1 TYR 38 1HE TYR 38 -1.687 -11.616 3.644 315 HE2 TYR 38 2HE TYR 38 -5.042 -9.794 5.552 316 HH TYR 38 HH TYR 38 -2.091 -10.842 6.206 317 H VAL 39 HN VAL 39 -4.999 -6.312 -0.886 318 HA VAL 39 HA VAL 39 -5.191 -4.482 1.418 319 HB VAL 39 HB VAL 39 -4.858 -3.569 -1.437 320 HG11 VAL 39 1HG1 VAL 39 -4.431 -1.997 1.087 321 HG12 VAL 39 2HG1 VAL 39 -4.620 -1.398 -0.561 322 HG13 VAL 39 3HG1 VAL 39 -5.999 -2.093 0.288 323 HG21 VAL 39 3HG2 VAL 39 -2.600 -2.938 0.193 324 HG22 VAL 39 1HG2 VAL 39 -2.879 -4.678 0.245 325 HG23 VAL 39 2HG2 VAL 39 -2.662 -3.866 -1.305 326 H VAL 40 HN VAL 40 -7.078 -3.310 1.637 327 HA VAL 40 HA VAL 40 -9.191 -3.678 -0.353 328 HB VAL 40 HB VAL 40 -9.661 -4.270 2.575 329 HG11 VAL 40 1HG1 VAL 40 -11.854 -4.427 2.113 330 HG12 VAL 40 2HG1 VAL 40 -11.454 -3.427 0.718 331 HG13 VAL 40 3HG1 VAL 40 -11.575 -5.179 0.543 332 HG21 VAL 40 3HG2 VAL 40 -8.356 -6.073 1.770 333 HG22 VAL 40 1HG2 VAL 40 -10.031 -6.626 1.738 334 HG23 VAL 40 2HG2 VAL 40 -9.239 -6.126 0.244 335 H LEU 41 HN LEU 41 -10.491 -1.983 -0.567 336 HA LEU 41 HA LEU 41 -10.343 0.151 1.437 337 HB2 LEU 41 2HB LEU 41 -10.536 1.674 -0.701 338 HB3 LEU 41 3HB LEU 41 -8.983 1.126 -0.101 339 HG LEU 41 HG LEU 41 -9.154 0.964 -2.545 340 HD11 LEU 41 1HD1 LEU 41 -8.110 -0.883 -0.831 341 HD12 LEU 41 2HD1 LEU 41 -9.069 -1.872 -1.932 342 HD13 LEU 41 3HD1 LEU 41 -7.817 -0.804 -2.568 343 HD21 LEU 41 3HD2 LEU 41 -11.140 -1.246 -2.207 344 HD22 LEU 41 1HD2 LEU 41 -11.654 0.424 -2.444 345 HD23 LEU 41 2HD2 LEU 41 -10.678 -0.382 -3.673 346 H LYS 42 HN LYS 42 -12.235 0.941 2.056 347 HA LYS 42 HA LYS 42 -14.621 0.208 0.502 348 HB2 LYS 42 2HB LYS 42 -14.655 -0.700 2.742 349 HB3 LYS 42 3HB LYS 42 -14.299 0.879 3.431 350 HG2 LYS 42 2HG LYS 42 -16.479 1.684 2.524 351 HG3 LYS 42 3HG LYS 42 -16.830 0.021 2.049 352 HD2 LYS 42 2HD LYS 42 -17.880 0.472 4.169 353 HD3 LYS 42 3HD LYS 42 -16.550 -0.663 4.415 354 HE2 LYS 42 2HE LYS 42 -15.441 1.899 4.693 355 HE3 LYS 42 3HE LYS 42 -16.971 1.940 5.567 356 HZ1 LYS 42 3HZ LYS 42 -14.548 0.448 6.144 357 HZ2 LYS 42 1HZ LYS 42 -15.999 -0.383 6.405 358 HZ3 LYS 42 2HZ LYS 42 -15.708 1.080 7.199 359 H VAL 43 HN VAL 43 -16.093 1.737 -0.113 360 HA VAL 43 HA VAL 43 -15.346 4.542 0.398 361 HB VAL 43 HB VAL 43 -16.690 3.503 -2.099 362 HG11 VAL 43 1HG1 VAL 43 -15.261 6.078 -2.080 363 HG12 VAL 43 2HG1 VAL 43 -16.793 5.631 -2.831 364 HG13 VAL 43 3HG1 VAL 43 -16.734 6.018 -1.112 365 HG21 VAL 43 3HG2 VAL 43 -13.799 4.277 -1.703 366 HG22 VAL 43 1HG2 VAL 43 -14.401 2.633 -1.907 367 HG23 VAL 43 2HG2 VAL 43 -14.554 3.797 -3.223 368 H GLU 44 HN GLU 44 -16.778 5.473 1.685 369 HA GLU 44 HA GLU 44 -19.631 5.002 1.188 370 HB2 GLU 44 2HB GLU 44 -19.910 5.277 3.736 371 HB3 GLU 44 3HB GLU 44 -19.356 3.726 3.123 372 HG2 GLU 44 2HG GLU 44 -17.067 4.294 3.686 373 HG3 GLU 44 3HG GLU 44 -17.588 5.884 4.246 374 H LYS 45 HN LYS 45 -21.014 6.742 1.750 375 HA LYS 45 HA LYS 45 -20.167 9.245 0.995 376 HB2 LYS 45 2HB LYS 45 -22.541 8.382 1.205 377 HB3 LYS 45 3HB LYS 45 -22.442 8.781 2.913 378 HG2 LYS 45 2HG LYS 45 -21.593 11.075 1.558 379 HG3 LYS 45 3HG LYS 45 -22.998 10.482 0.669 380 HD2 LYS 45 2HD LYS 45 -23.829 10.218 3.252 381 HD3 LYS 45 3HD LYS 45 -22.818 11.661 3.349 382 HE2 LYS 45 2HE LYS 45 -24.394 12.889 2.378 383 HE3 LYS 45 3HE LYS 45 -24.471 11.783 1.008 384 HZ1 LYS 45 3HZ LYS 45 -25.941 11.481 3.571 385 HZ2 LYS 45 1HZ LYS 45 -26.000 10.393 2.277 386 HZ3 LYS 45 2HZ LYS 45 -26.610 11.959 2.093 387 H VAL 46 HN VAL 46 -19.726 7.749 4.082 388 HA VAL 46 HA VAL 46 -19.332 10.278 5.444 389 HB VAL 46 HB VAL 46 -18.925 7.470 6.473 390 HG11 VAL 46 1HG1 VAL 46 -18.187 8.338 8.387 391 HG12 VAL 46 2HG1 VAL 46 -18.039 9.880 7.546 392 HG13 VAL 46 3HG1 VAL 46 -19.510 9.503 8.442 393 HG21 VAL 46 3HG2 VAL 46 -21.263 8.139 5.735 394 HG22 VAL 46 1HG2 VAL 46 -21.085 7.569 7.395 395 HG23 VAL 46 2HG2 VAL 46 -21.234 9.296 7.066 396 H THR 47 HN THR 47 -17.217 7.458 5.794 397 HA THR 47 HA THR 47 -14.956 9.117 4.919 398 HB THR 47 HB THR 47 -15.055 9.079 7.380 399 HG1 THR 47 1HG THR 47 -12.894 7.561 6.349 400 HG21 THR 47 3HG2 THR 47 -15.785 7.207 8.328 401 HG22 THR 47 1HG2 THR 47 -14.118 6.657 8.154 402 HG23 THR 47 2HG2 THR 47 -15.324 6.209 6.947 403 H HIS 48 HN HIS 48 -13.099 7.975 4.160 404 HA HIS 48 HA HIS 48 -13.802 5.395 2.971 405 HB2 HIS 48 2HB HIS 48 -11.500 7.282 2.422 406 HB3 HIS 48 3HB HIS 48 -11.763 5.758 1.583 407 HD1 HIS 48 1HD HIS 48 -12.371 6.525 -0.713 408 HD2 HIS 48 2HD HIS 48 -14.513 8.519 2.238 409 HE1 HIS 48 1HE HIS 48 -14.080 7.903 -1.939 410 HE2 HIS 48 2HE HIS 48 -15.423 9.031 -0.130 411 H THR 49 HN THR 49 -12.738 3.510 3.430 412 HA THR 49 HA THR 49 -10.567 3.668 5.418 413 HB THR 49 HB THR 49 -12.757 1.587 5.353 414 HG1 THR 49 1HG THR 49 -12.391 3.895 6.941 415 HG21 THR 49 3HG2 THR 49 -10.235 1.614 6.671 416 HG22 THR 49 1HG2 THR 49 -11.515 0.403 6.738 417 HG23 THR 49 2HG2 THR 49 -11.519 1.753 7.873 418 H SER 50 HN SER 50 -8.785 2.557 4.970 419 HA SER 50 HA SER 50 -8.911 0.432 2.940 420 HB2 SER 50 2HB SER 50 -6.825 1.213 1.956 421 HB3 SER 50 3HB SER 50 -8.007 2.521 1.936 422 HG SER 50 HG SER 50 -5.930 2.174 3.841 423 H ASP 51 HN ASP 51 -7.493 -1.312 3.251 424 HA ASP 51 HA ASP 51 -5.937 -1.253 5.747 425 HB2 ASP 51 2HB ASP 51 -6.584 -3.645 6.089 426 HB3 ASP 51 3HB ASP 51 -7.927 -2.515 6.227 427 H ALA 52 HN ALA 52 -3.990 -2.322 5.748 428 HA ALA 52 HA ALA 52 -3.178 -3.671 3.268 429 HB1 ALA 52 1HB ALA 52 -2.376 -1.363 3.145 430 HB2 ALA 52 2HB ALA 52 -1.540 -1.570 4.684 431 HB3 ALA 52 3HB ALA 52 -1.039 -2.506 3.274 432 H THR 53 HN THR 53 -2.735 -5.672 3.864 433 HA THR 53 HA THR 53 -1.293 -6.119 6.397 434 HB THR 53 HB THR 53 -2.636 -8.383 5.024 435 HG1 THR 53 1HG THR 53 -4.045 -6.337 6.389 436 HG21 THR 53 3HG2 THR 53 -3.280 -8.983 7.308 437 HG22 THR 53 1HG2 THR 53 -2.486 -7.524 7.901 438 HG23 THR 53 2HG2 THR 53 -1.536 -8.795 7.132 439 H LEU 54 HN LEU 54 0.824 -6.319 5.999 440 HA LEU 54 HA LEU 54 1.698 -7.712 3.576 441 HB2 LEU 54 2HB LEU 54 2.970 -5.770 5.452 442 HB3 LEU 54 3HB LEU 54 3.998 -6.860 4.540 443 HG LEU 54 HG LEU 54 2.220 -5.758 2.663 444 HD11 LEU 54 1HD1 LEU 54 1.548 -3.860 3.665 445 HD12 LEU 54 2HD1 LEU 54 2.874 -3.873 4.826 446 HD13 LEU 54 3HD1 LEU 54 3.145 -3.286 3.185 447 HD21 LEU 54 3HD2 LEU 54 4.303 -4.628 1.856 448 HD22 LEU 54 1HD2 LEU 54 5.113 -5.225 3.305 449 HD23 LEU 54 2HD2 LEU 54 4.462 -6.364 2.128 450 H HIS 55 HN HIS 55 3.069 -9.477 3.626 451 HA HIS 55 HA HIS 55 3.095 -10.935 6.171 452 HB2 HIS 55 2HB HIS 55 3.128 -11.760 3.299 453 HB3 HIS 55 3HB HIS 55 3.848 -12.833 4.495 454 HD1 HIS 55 1HD HIS 55 2.246 -14.576 5.163 455 HD2 HIS 55 2HD HIS 55 0.347 -10.958 4.410 456 HE1 HIS 55 1HE HIS 55 -0.194 -14.993 5.607 457 HE2 HIS 55 2HE HIS 55 -1.309 -12.765 5.237 458 H VAL 56 HN VAL 56 4.937 -11.451 7.196 459 HA VAL 56 HA VAL 56 7.489 -11.012 5.801 460 HB VAL 56 HB VAL 56 6.989 -10.158 8.653 461 HG11 VAL 56 1HG1 VAL 56 9.316 -9.882 6.770 462 HG12 VAL 56 2HG1 VAL 56 9.147 -8.903 8.226 463 HG13 VAL 56 3HG1 VAL 56 9.277 -10.656 8.353 464 HG21 VAL 56 3HG2 VAL 56 7.114 -7.841 7.765 465 HG22 VAL 56 1HG2 VAL 56 7.051 -8.504 6.134 466 HG23 VAL 56 2HG2 VAL 56 5.686 -8.724 7.229 467 H ASN 57 HN ASN 57 9.286 -12.181 6.669 468 HA ASN 57 HA ASN 57 8.616 -14.812 7.497 469 HB2 ASN 57 2HB ASN 57 11.225 -13.348 7.152 470 HB3 ASN 57 3HB ASN 57 11.170 -14.997 7.768 471 HD21 ASN 57 1HD2 ASN 57 12.177 -13.722 5.231 472 HD22 ASN 57 2HD2 ASN 57 11.481 -14.679 3.971 473 H GLY 58 HN GLY 58 7.769 -15.086 9.484 474 HA2 GLY 58 2HA GLY 58 8.374 -15.574 11.776 475 HA3 GLY 58 3HA GLY 58 9.394 -14.144 11.758 476 H GLY 59 HN GLY 59 7.097 -12.749 10.265 477 HA2 GLY 59 2HA GLY 59 5.006 -12.612 12.251 478 HA3 GLY 59 3HA GLY 59 6.066 -11.210 12.241 479 H GLU 60 HN GLU 60 3.478 -10.754 11.771 480 HA GLU 60 HA GLU 60 3.481 -9.986 8.948 481 HB2 GLU 60 2HB GLU 60 1.058 -11.198 10.286 482 HB3 GLU 60 3HB GLU 60 1.207 -10.707 8.603 483 HG2 GLU 60 2HG GLU 60 1.638 -12.858 8.219 484 HG3 GLU 60 3HG GLU 60 3.249 -12.489 8.833 485 H ILE 61 HN ILE 61 2.734 -7.960 8.598 486 HA ILE 61 HA ILE 61 1.786 -6.483 10.951 487 HB ILE 61 HB ILE 61 2.705 -5.277 8.349 488 HG12 ILE 61 2HG1 ILE 61 4.798 -4.878 10.025 489 HG13 ILE 61 3HG1 ILE 61 4.273 -6.472 10.556 490 HG21 ILE 61 1HG2 ILE 61 1.466 -3.763 9.730 491 HG22 ILE 61 2HG2 ILE 61 2.408 -4.209 11.151 492 HG23 ILE 61 3HG2 ILE 61 3.172 -3.328 9.828 493 HD11 ILE 61 3HD1 ILE 61 5.085 -7.460 8.736 494 HD12 ILE 61 1HD1 ILE 61 4.443 -6.218 7.660 495 HD13 ILE 61 2HD1 ILE 61 5.979 -5.958 8.488 496 H HIS 62 HN HIS 62 -0.154 -5.476 11.014 497 HA HIS 62 HA HIS 62 -1.793 -5.444 8.580 498 HB2 HIS 62 2HB HIS 62 -2.328 -7.394 10.169 499 HB3 HIS 62 3HB HIS 62 -2.957 -6.167 11.264 500 HD1 HIS 62 1HD HIS 62 -4.638 -8.446 9.785 501 HD2 HIS 62 2HD HIS 62 -4.424 -4.435 8.722 502 HE1 HIS 62 1HE HIS 62 -6.736 -7.985 8.477 503 HE2 HIS 62 2HE HIS 62 -6.542 -5.574 7.772 504 H ALA 63 HN ALA 63 -2.194 -3.357 8.189 505 HA ALA 63 HA ALA 63 -3.102 -1.681 10.419 506 HB1 ALA 63 1HB ALA 63 -0.717 -1.261 8.750 507 HB2 ALA 63 2HB ALA 63 -1.742 0.156 8.981 508 HB3 ALA 63 3HB ALA 63 -1.082 -0.691 10.380 509 H SER 64 HN SER 64 -4.176 0.340 9.660 510 HA SER 64 HA SER 64 -5.281 0.164 6.960 511 HB2 SER 64 2HB SER 64 -7.567 0.413 7.737 512 HB3 SER 64 3HB SER 64 -6.859 -1.010 8.502 513 HG SER 64 HG SER 64 -8.020 0.365 9.965 514 H ALA 65 HN ALA 65 -6.159 2.165 6.188 515 HA ALA 65 HA ALA 65 -5.701 4.518 7.859 516 HB1 ALA 65 1HB ALA 65 -4.675 5.381 5.471 517 HB2 ALA 65 2HB ALA 65 -3.729 4.889 6.876 518 HB3 ALA 65 3HB ALA 65 -4.052 3.736 5.582 519 H GLU 66 HN GLU 66 -7.158 6.083 7.558 520 HA GLU 66 HA GLU 66 -9.104 5.728 5.385 521 HB2 GLU 66 2HB GLU 66 -10.660 7.011 6.750 522 HB3 GLU 66 3HB GLU 66 -10.019 5.658 7.670 523 HG2 GLU 66 2HG GLU 66 -8.661 7.045 8.979 524 HG3 GLU 66 3HG GLU 66 -8.837 8.404 7.870 525 H GLY 67 HN GLY 67 -9.915 7.622 4.284 526 HA2 GLY 67 2HA GLY 67 -8.441 10.101 4.572 527 HA3 GLY 67 3HA GLY 67 -8.123 9.226 3.084 528 H GLN 68 HN GLN 68 -9.126 11.746 2.953 529 HA GLN 68 HA GLN 68 -11.918 11.974 2.914 530 HB2 GLN 68 2HB GLN 68 -10.375 13.894 2.879 531 HB3 GLN 68 3HB GLN 68 -9.885 13.464 1.247 532 HG2 GLN 68 2HG GLN 68 -11.446 15.265 1.134 533 HG3 GLN 68 3HG GLN 68 -12.218 13.811 0.504 534 HE21 GLN 68 1HE2 GLN 68 -14.304 14.092 0.949 535 HE22 GLN 68 2HE2 GLN 68 -14.955 14.421 2.515 536 H ASP 69 HN ASP 69 -9.863 10.236 0.818 537 HA ASP 69 HA ASP 69 -12.100 9.532 -0.854 538 HB2 ASP 69 2HB ASP 69 -10.711 10.028 -2.966 539 HB3 ASP 69 3HB ASP 69 -11.504 11.384 -2.171 540 H MET 70 HN MET 70 -11.225 7.982 -2.678 541 HA MET 70 HA MET 70 -10.044 5.790 -1.368 542 HB2 MET 70 2HB MET 70 -11.584 5.653 -3.334 543 HB3 MET 70 3HB MET 70 -10.263 6.217 -4.349 544 HG2 MET 70 2HG MET 70 -9.730 4.090 -4.645 545 HG3 MET 70 3HG MET 70 -9.166 4.089 -2.976 546 HE1 MET 70 3HE MET 70 -10.173 1.564 -4.717 547 HE2 MET 70 1HE MET 70 -11.855 1.094 -4.470 548 HE3 MET 70 2HE MET 70 -11.466 2.471 -5.502 549 H TYR 71 HN TYR 71 -8.632 8.522 -2.858 550 HA TYR 71 HA TYR 71 -6.113 7.201 -3.432 551 HB2 TYR 71 2HB TYR 71 -7.062 10.052 -3.706 552 HB3 TYR 71 3HB TYR 71 -5.393 9.580 -4.003 553 HD1 TYR 71 1HD TYR 71 -5.752 6.996 -5.384 554 HD2 TYR 71 2HD TYR 71 -7.890 10.651 -5.799 555 HE1 TYR 71 1HE TYR 71 -6.336 6.386 -7.693 556 HE2 TYR 71 2HE TYR 71 -8.482 10.049 -8.108 557 HH TYR 71 HH TYR 71 -8.706 8.019 -9.483 558 H ALA 72 HN ALA 72 -7.440 9.494 -1.097 559 HA ALA 72 HA ALA 72 -5.021 10.059 0.244 560 HB1 ALA 72 1HB ALA 72 -7.895 10.478 0.760 561 HB2 ALA 72 2HB ALA 72 -6.847 10.466 2.177 562 HB3 ALA 72 3HB ALA 72 -6.545 11.606 0.867 563 H ALA 73 HN ALA 73 -7.555 7.651 0.808 564 HA ALA 73 HA ALA 73 -6.675 6.588 3.209 565 HB1 ALA 73 1HB ALA 73 -7.759 4.445 2.379 566 HB2 ALA 73 2HB ALA 73 -8.775 5.885 2.412 567 HB3 ALA 73 3HB ALA 73 -8.097 5.319 0.885 568 H ILE 74 HN ILE 74 -5.597 5.877 -0.078 569 HA ILE 74 HA ILE 74 -3.866 3.736 0.676 570 HB ILE 74 HB ILE 74 -3.738 5.420 -1.827 571 HG12 ILE 74 2HG1 ILE 74 -5.981 4.431 -1.471 572 HG13 ILE 74 3HG1 ILE 74 -5.162 3.740 -2.867 573 HG21 ILE 74 1HG2 ILE 74 -1.924 3.605 -0.942 574 HG22 ILE 74 2HG2 ILE 74 -2.988 2.585 -1.910 575 HG23 ILE 74 3HG2 ILE 74 -2.210 3.989 -2.639 576 HD11 ILE 74 3HD1 ILE 74 -5.787 1.788 -1.988 577 HD12 ILE 74 1HD1 ILE 74 -4.424 2.024 -0.893 578 HD13 ILE 74 2HD1 ILE 74 -6.050 2.481 -0.387 579 H ASP 75 HN ASP 75 -3.528 7.202 0.340 580 HA ASP 75 HA ASP 75 -0.730 7.382 0.295 581 HB2 ASP 75 2HB ASP 75 -2.854 9.178 0.307 582 HB3 ASP 75 3HB ASP 75 -1.989 9.538 1.797 583 H GLY 76 HN GLY 76 -2.948 7.725 3.071 584 HA2 GLY 76 2HA GLY 76 -0.837 7.724 4.992 585 HA3 GLY 76 3HA GLY 76 -2.553 7.554 5.335 586 H LEU 77 HN LEU 77 -2.581 5.229 3.367 587 HA LEU 77 HA LEU 77 -2.155 3.184 5.317 588 HB2 LEU 77 2HB LEU 77 -3.976 2.972 3.758 589 HB3 LEU 77 3HB LEU 77 -2.885 3.090 2.392 590 HG LEU 77 HG LEU 77 -1.995 0.919 2.792 591 HD11 LEU 77 1HD1 LEU 77 -3.283 -0.296 4.838 592 HD12 LEU 77 2HD1 LEU 77 -1.683 0.431 4.959 593 HD13 LEU 77 3HD1 LEU 77 -3.103 1.337 5.477 594 HD21 LEU 77 3HD2 LEU 77 -4.435 1.264 1.893 595 HD22 LEU 77 1HD2 LEU 77 -3.813 -0.355 2.212 596 HD23 LEU 77 2HD2 LEU 77 -4.874 0.428 3.382 597 H ILE 78 HN ILE 78 -0.574 4.103 2.282 598 HA ILE 78 HA ILE 78 1.445 2.067 2.526 599 HB ILE 78 HB ILE 78 1.296 4.446 0.669 600 HG12 ILE 78 2HG1 ILE 78 -0.550 2.900 0.321 601 HG13 ILE 78 3HG1 ILE 78 0.598 2.757 -1.007 602 HG21 ILE 78 1HG2 ILE 78 3.453 3.974 0.293 603 HG22 ILE 78 2HG2 ILE 78 3.354 2.421 1.121 604 HG23 ILE 78 3HG2 ILE 78 2.847 2.557 -0.563 605 HD11 ILE 78 3HD1 ILE 78 0.658 0.580 -0.649 606 HD12 ILE 78 1HD1 ILE 78 1.393 0.889 0.926 607 HD13 ILE 78 2HD1 ILE 78 -0.360 0.750 0.781 608 H ASP 79 HN ASP 79 0.990 5.184 3.809 609 HA ASP 79 HA ASP 79 3.773 5.875 4.027 610 HB2 ASP 79 2HB ASP 79 1.213 7.135 4.619 611 HB3 ASP 79 3HB ASP 79 2.393 7.409 5.896 612 H LYS 80 HN LYS 80 1.252 5.027 6.401 613 HA LYS 80 HA LYS 80 3.046 4.708 8.560 614 HB2 LYS 80 2HB LYS 80 0.329 3.423 8.239 615 HB3 LYS 80 3HB LYS 80 1.185 3.715 9.747 616 HG2 LYS 80 2HG LYS 80 0.846 6.036 9.612 617 HG3 LYS 80 3HG LYS 80 0.367 5.948 7.916 618 HD2 LYS 80 2HD LYS 80 -1.536 4.409 8.847 619 HD3 LYS 80 3HD LYS 80 -1.179 5.231 10.367 620 HE2 LYS 80 2HE LYS 80 -1.427 7.015 8.056 621 HE3 LYS 80 3HE LYS 80 -2.903 6.138 8.456 622 HZ1 LYS 80 3HZ LYS 80 -1.538 8.230 9.926 623 HZ2 LYS 80 1HZ LYS 80 -2.133 6.958 10.870 624 HZ3 LYS 80 2HZ LYS 80 -3.182 7.837 9.876 625 H LEU 81 HN LEU 81 1.855 2.533 6.087 626 HA LEU 81 HA LEU 81 2.679 0.110 7.274 627 HB2 LEU 81 2HB LEU 81 1.980 0.984 4.508 628 HB3 LEU 81 3HB LEU 81 2.757 -0.572 4.725 629 HG LEU 81 HG LEU 81 0.128 -0.336 4.662 630 HD11 LEU 81 1HD1 LEU 81 1.955 -2.175 6.037 631 HD12 LEU 81 2HD1 LEU 81 0.268 -2.271 6.545 632 HD13 LEU 81 3HD1 LEU 81 0.693 -2.497 4.848 633 HD21 LEU 81 3HD2 LEU 81 0.576 -0.169 7.625 634 HD22 LEU 81 1HD2 LEU 81 0.260 1.270 6.656 635 HD23 LEU 81 2HD2 LEU 81 -0.933 -0.028 6.723 636 H ALA 82 HN ALA 82 4.283 2.243 4.914 637 HA ALA 82 HA ALA 82 6.585 0.702 4.540 638 HB1 ALA 82 1HB ALA 82 5.778 2.818 3.292 639 HB2 ALA 82 2HB ALA 82 6.691 3.694 4.522 640 HB3 ALA 82 3HB ALA 82 7.510 2.540 3.469 641 H ARG 83 HN ARG 83 6.149 3.506 6.702 642 HA ARG 83 HA ARG 83 8.601 3.481 7.953 643 HB2 ARG 83 2HB ARG 83 5.869 4.334 8.813 644 HB3 ARG 83 3HB ARG 83 7.170 4.330 9.998 645 HG2 ARG 83 2HG ARG 83 8.223 5.598 7.740 646 HG3 ARG 83 3HG ARG 83 6.586 6.233 7.927 647 HD2 ARG 83 2HD ARG 83 8.320 6.020 10.338 648 HD3 ARG 83 3HD ARG 83 8.635 7.317 9.186 649 HE ARG 83 HE ARG 83 5.900 7.302 9.765 650 HH11 ARG 83 2HH1 ARG 83 8.935 7.954 11.358 651 HH12 ARG 83 1HH1 ARG 83 8.252 9.098 12.464 652 HH21 ARG 83 2HH2 ARG 83 4.998 8.805 11.219 653 HH22 ARG 83 1HH2 ARG 83 6.017 9.581 12.386 654 H GLN 84 HN GLN 84 5.799 1.448 8.604 655 HA GLN 84 HA GLN 84 6.875 0.298 10.996 656 HB2 GLN 84 2HB GLN 84 4.505 -0.164 9.261 657 HB3 GLN 84 3HB GLN 84 5.043 -1.515 10.249 658 HG2 GLN 84 2HG GLN 84 4.510 1.212 11.385 659 HG3 GLN 84 3HG GLN 84 3.263 -0.025 11.237 660 HE21 GLN 84 1HE2 GLN 84 3.041 -1.420 12.843 661 HE22 GLN 84 2HE2 GLN 84 4.175 -1.677 14.121 662 H LEU 85 HN LEU 85 6.641 -0.692 7.611 663 HA LEU 85 HA LEU 85 7.750 -3.243 7.841 664 HB2 LEU 85 2HB LEU 85 7.543 -1.243 5.634 665 HB3 LEU 85 3HB LEU 85 8.564 -2.644 5.402 666 HG LEU 85 HG LEU 85 5.976 -2.568 4.698 667 HD11 LEU 85 1HD1 LEU 85 6.930 -4.426 3.893 668 HD12 LEU 85 2HD1 LEU 85 7.899 -4.683 5.342 669 HD13 LEU 85 3HD1 LEU 85 6.214 -5.204 5.304 670 HD21 LEU 85 3HD2 LEU 85 4.526 -3.536 6.254 671 HD22 LEU 85 1HD2 LEU 85 5.843 -4.020 7.322 672 HD23 LEU 85 2HD2 LEU 85 5.400 -2.318 7.182 673 H THR 86 HN THR 86 9.295 -0.096 7.361 674 HA THR 86 HA THR 86 11.929 -1.022 7.049 675 HB THR 86 HB THR 86 11.608 1.561 8.431 676 HG1 THR 86 1HG THR 86 10.628 2.516 6.596 677 HG21 THR 86 3HG2 THR 86 12.772 2.313 6.278 678 HG22 THR 86 1HG2 THR 86 12.978 0.591 5.959 679 HG23 THR 86 2HG2 THR 86 13.674 1.307 7.413 680 H LYS 87 HN LYS 87 10.085 -0.093 9.926 681 HA LYS 87 HA LYS 87 12.069 -0.140 11.841 682 HB2 LYS 87 2HB LYS 87 9.693 0.486 12.234 683 HB3 LYS 87 3HB LYS 87 9.264 -1.218 12.176 684 HG2 LYS 87 2HG LYS 87 9.414 -0.861 14.434 685 HG3 LYS 87 3HG LYS 87 11.039 -1.443 14.069 686 HD2 LYS 87 2HD LYS 87 11.928 0.456 14.813 687 HD3 LYS 87 3HD LYS 87 10.933 1.398 13.701 688 HE2 LYS 87 2HE LYS 87 9.092 1.344 15.319 689 HE3 LYS 87 3HE LYS 87 10.100 0.419 16.431 690 HZ1 LYS 87 3HZ LYS 87 11.229 2.919 15.475 691 HZ2 LYS 87 1HZ LYS 87 11.267 2.233 17.022 692 HZ3 LYS 87 2HZ LYS 87 9.889 3.065 16.499 693 H HIS 88 HN HIS 88 10.053 -2.886 10.804 694 HA HIS 88 HA HIS 88 11.599 -4.764 12.324 695 HB2 HIS 88 2HB HIS 88 10.091 -6.395 11.627 696 HB3 HIS 88 3HB HIS 88 9.111 -4.935 11.613 697 HD1 HIS 88 1HD HIS 88 7.756 -4.657 9.568 698 HD2 HIS 88 2HD HIS 88 11.150 -6.948 8.862 699 HE1 HIS 88 1HE HIS 88 7.585 -5.395 7.171 700 HE2 HIS 88 2HE HIS 88 9.598 -6.861 6.797 701 H LYS 89 HN LYS 89 11.874 -3.377 9.193 702 HA LYS 89 HA LYS 89 13.282 -5.454 7.891 703 HB2 LYS 89 2HB LYS 89 12.311 -2.971 7.165 704 HB3 LYS 89 3HB LYS 89 14.052 -2.752 7.080 705 HG2 LYS 89 2HG LYS 89 12.593 -5.006 5.726 706 HG3 LYS 89 3HG LYS 89 12.960 -3.464 4.949 707 HD2 LYS 89 2HD LYS 89 15.349 -4.410 6.148 708 HD3 LYS 89 3HD LYS 89 14.632 -5.756 5.260 709 HE2 LYS 89 2HE LYS 89 15.998 -4.679 3.694 710 HE3 LYS 89 3HE LYS 89 14.371 -4.110 3.325 711 HZ1 LYS 89 3HZ LYS 89 14.891 -2.121 4.704 712 HZ2 LYS 89 1HZ LYS 89 15.816 -2.247 3.293 713 HZ3 LYS 89 2HZ LYS 89 16.496 -2.648 4.789 714 H ASP 90 HN ASP 90 14.225 -3.056 10.215 715 HA ASP 90 HA ASP 90 16.971 -2.912 9.727 716 HB2 ASP 90 2HB ASP 90 15.209 -1.899 11.632 717 HB3 ASP 90 3HB ASP 90 16.337 -2.875 12.568 718 H LYS 91 HN LYS 91 15.054 -5.442 11.103 719 HA LYS 91 HA LYS 91 16.906 -6.797 12.664 720 HB2 LYS 91 2HB LYS 91 14.344 -7.248 12.017 721 HB3 LYS 91 3HB LYS 91 15.103 -8.429 10.957 722 HG2 LYS 91 2HG LYS 91 16.138 -9.527 12.817 723 HG3 LYS 91 3HG LYS 91 15.595 -8.262 13.922 724 HD2 LYS 91 2HD LYS 91 13.282 -8.882 13.541 725 HD3 LYS 91 3HD LYS 91 13.775 -10.083 12.346 726 HE2 LYS 91 2HE LYS 91 14.311 -11.590 13.917 727 HE3 LYS 91 3HE LYS 91 15.093 -10.385 14.940 728 HZ1 LYS 91 3HZ LYS 91 12.173 -10.895 14.755 729 HZ2 LYS 91 1HZ LYS 91 12.891 -9.685 15.696 730 HZ3 LYS 91 2HZ LYS 91 13.181 -11.313 16.046 731 H LEU 92 HN LEU 92 16.612 -6.611 9.195 732 HA LEU 92 HA LEU 92 19.061 -8.220 8.956 733 HB2 LEU 92 2HB LEU 92 16.666 -8.351 7.123 734 HB3 LEU 92 3HB LEU 92 18.196 -9.158 6.841 735 HG LEU 92 HG LEU 92 17.602 -10.149 9.280 736 HD11 LEU 92 1HD1 LEU 92 14.916 -10.163 7.984 737 HD12 LEU 92 2HD1 LEU 92 15.355 -10.445 9.668 738 HD13 LEU 92 3HD1 LEU 92 15.381 -8.809 9.013 739 HD21 LEU 92 3HD2 LEU 92 16.425 -11.322 6.775 740 HD22 LEU 92 1HD2 LEU 92 18.158 -11.314 7.102 741 HD23 LEU 92 2HD2 LEU 92 17.060 -12.167 8.187 742 H LYS 93 HN LYS 93 20.175 -6.200 8.883 743 HA LYS 93 HA LYS 93 19.857 -4.784 6.317 744 HB2 LYS 93 2HB LYS 93 20.127 -3.781 9.069 745 HB3 LYS 93 3HB LYS 93 21.183 -2.993 7.905 746 HG2 LYS 93 2HG LYS 93 18.452 -3.281 6.941 747 HG3 LYS 93 3HG LYS 93 18.569 -2.335 8.427 748 HD2 LYS 93 2HD LYS 93 20.664 -1.417 6.837 749 HD3 LYS 93 3HD LYS 93 19.316 -1.629 5.720 750 HE2 LYS 93 2HE LYS 93 19.058 0.556 6.486 751 HE3 LYS 93 3HE LYS 93 17.927 -0.369 7.473 752 HZ1 LYS 93 3HZ LYS 93 20.515 0.814 8.241 753 HZ2 LYS 93 1HZ LYS 93 19.891 -0.499 9.109 754 HZ3 LYS 93 2HZ LYS 93 19.014 0.944 9.010 755 H GLN 94 HN GLN 94 22.171 -5.735 8.834 756 HA GLN 94 HA GLN 94 24.498 -5.052 7.392 757 HB2 GLN 94 2HB GLN 94 25.675 -6.503 9.008 758 HB3 GLN 94 3HB GLN 94 24.567 -5.386 9.793 759 HG2 GLN 94 2HG GLN 94 23.481 -8.045 9.132 760 HG3 GLN 94 3HG GLN 94 24.720 -7.992 10.384 761 HE21 GLN 94 1HE2 GLN 94 24.343 -6.638 12.229 762 HE22 GLN 94 2HE2 GLN 94 22.726 -6.302 12.737 763 H HIS 95 HN HIS 95 25.784 -6.186 6.014 764 HA HIS 95 HA HIS 95 26.366 -7.715 4.434 765 HB2 HIS 95 2HB HIS 95 25.018 -9.658 6.320 766 HB3 HIS 95 3HB HIS 95 26.092 -10.096 4.997 767 HD1 HIS 95 1HD HIS 95 26.095 -8.634 8.440 768 HD2 HIS 95 2HD HIS 95 28.818 -9.727 5.497 769 HE1 HIS 95 1HE HIS 95 28.348 -8.581 9.556 770 HE2 HIS 95 2HE HIS 95 29.970 -9.330 7.779 Start of MODEL 11 1 H1 MET 1 1H MET 1 7.006 -12.508 -4.250 2 H2 MET 1 2H MET 1 5.648 -13.431 -4.753 3 H3 MET 1 3H MET 1 5.519 -12.371 -3.408 4 HA MET 1 HA MET 1 5.630 -10.499 -4.701 5 HB2 MET 1 2HB MET 1 6.596 -12.404 -6.835 6 HB3 MET 1 3HB MET 1 6.095 -10.757 -7.193 7 HG2 MET 1 2HG MET 1 7.841 -10.278 -5.215 8 HG3 MET 1 3HG MET 1 8.532 -11.758 -5.876 9 HE1 MET 1 2HE MET 1 10.204 -11.732 -7.104 10 HE2 MET 1 3HE MET 1 9.693 -11.613 -8.787 11 HE3 MET 1 1HE MET 1 10.865 -10.466 -8.138 12 H GLN 2 HN GLN 2 3.600 -12.397 -3.945 13 HA GLN 2 HA GLN 2 1.740 -12.162 -6.218 14 HB2 GLN 2 2HB GLN 2 2.398 -14.446 -4.961 15 HB3 GLN 2 3HB GLN 2 1.067 -13.932 -3.933 16 HG2 GLN 2 2HG GLN 2 -0.452 -13.937 -5.762 17 HG3 GLN 2 3HG GLN 2 0.855 -14.167 -6.922 18 HE21 GLN 2 1HE2 GLN 2 -1.354 -15.666 -4.803 19 HE22 GLN 2 2HE2 GLN 2 -0.868 -17.302 -5.076 20 H LEU 3 HN LEU 3 0.607 -10.343 -5.965 21 HA LEU 3 HA LEU 3 -0.632 -9.859 -3.335 22 HB2 LEU 3 2HB LEU 3 -0.423 -7.510 -3.618 23 HB3 LEU 3 3HB LEU 3 1.155 -8.213 -3.915 24 HG LEU 3 HG LEU 3 -0.697 -7.551 -6.186 25 HD11 LEU 3 1HD1 LEU 3 -0.524 -5.489 -5.013 26 HD12 LEU 3 2HD1 LEU 3 1.205 -5.715 -4.746 27 HD13 LEU 3 3HD1 LEU 3 0.595 -5.414 -6.374 28 HD21 LEU 3 3HD2 LEU 3 1.007 -8.745 -7.104 29 HD22 LEU 3 1HD2 LEU 3 1.762 -7.151 -7.112 30 HD23 LEU 3 2HD2 LEU 3 2.150 -8.303 -5.834 31 H ASN 4 HN ASN 4 -2.754 -9.109 -3.307 32 HA ASN 4 HA ASN 4 -4.157 -8.941 -5.872 33 HB2 ASN 4 2HB ASN 4 -5.106 -10.661 -3.572 34 HB3 ASN 4 3HB ASN 4 -5.928 -10.431 -5.112 35 HD21 ASN 4 1HD2 ASN 4 -5.600 -11.922 -6.590 36 HD22 ASN 4 2HD2 ASN 4 -4.265 -13.015 -6.654 37 H ILE 5 HN ILE 5 -6.204 -7.859 -5.760 38 HA ILE 5 HA ILE 5 -6.481 -6.165 -3.360 39 HB ILE 5 HB ILE 5 -7.345 -5.382 -6.139 40 HG12 ILE 5 2HG1 ILE 5 -4.779 -4.655 -4.705 41 HG13 ILE 5 3HG1 ILE 5 -4.905 -5.710 -6.110 42 HG21 ILE 5 1HG2 ILE 5 -7.374 -3.123 -5.176 43 HG22 ILE 5 2HG2 ILE 5 -8.474 -4.217 -4.338 44 HG23 ILE 5 3HG2 ILE 5 -6.923 -3.797 -3.610 45 HD11 ILE 5 3HD1 ILE 5 -6.090 -3.047 -6.444 46 HD12 ILE 5 1HD1 ILE 5 -4.341 -3.078 -6.224 47 HD13 ILE 5 2HD1 ILE 5 -5.080 -3.993 -7.538 48 H THR 6 HN THR 6 -8.573 -5.633 -2.655 49 HA THR 6 HA THR 6 -10.871 -6.810 -3.964 50 HB THR 6 HB THR 6 -10.386 -7.517 -1.078 51 HG1 THR 6 1HG THR 6 -9.667 -9.032 -3.364 52 HG21 THR 6 3HG2 THR 6 -12.661 -7.721 -2.392 53 HG22 THR 6 1HG2 THR 6 -12.144 -8.940 -1.229 54 HG23 THR 6 2HG2 THR 6 -11.918 -9.218 -2.956 55 H GLY 7 HN GLY 7 -12.343 -5.219 -3.938 56 HA2 GLY 7 2HA GLY 7 -12.309 -3.377 -1.627 57 HA3 GLY 7 3HA GLY 7 -12.710 -2.883 -3.262 58 H ASN 8 HN ASN 8 -14.101 -2.959 -0.524 59 HA ASN 8 HA ASN 8 -16.490 -4.500 -1.171 60 HB2 ASN 8 2HB ASN 8 -17.240 -3.423 1.100 61 HB3 ASN 8 3HB ASN 8 -16.070 -4.739 1.101 62 HD21 ASN 8 1HD2 ASN 8 -15.701 -3.752 3.267 63 HD22 ASN 8 2HD2 ASN 8 -14.521 -2.495 3.377 64 H ASN 9 HN ASN 9 -17.848 -3.577 -2.562 65 HA ASN 9 HA ASN 9 -19.323 -2.081 -3.451 66 HB2 ASN 9 2HB ASN 9 -19.644 -1.531 -0.919 67 HB3 ASN 9 3HB ASN 9 -18.701 -0.089 -1.289 68 HD21 ASN 9 1HD2 ASN 9 -21.496 -1.925 -2.460 69 HD22 ASN 9 2HD2 ASN 9 -22.432 -0.544 -2.909 70 H VAL 10 HN VAL 10 -16.706 -2.193 -4.355 71 HA VAL 10 HA VAL 10 -16.436 0.457 -5.513 72 HB VAL 10 HB VAL 10 -13.993 -0.808 -4.284 73 HG11 VAL 10 1HG1 VAL 10 -12.973 1.326 -4.657 74 HG12 VAL 10 2HG1 VAL 10 -13.737 0.810 -6.160 75 HG13 VAL 10 3HG1 VAL 10 -14.512 2.031 -5.150 76 HG21 VAL 10 3HG2 VAL 10 -15.424 -0.325 -2.426 77 HG22 VAL 10 1HG2 VAL 10 -14.192 0.933 -2.507 78 HG23 VAL 10 2HG2 VAL 10 -15.826 1.263 -3.083 79 H GLU 11 HN GLU 11 -15.778 0.363 -7.595 80 HA GLU 11 HA GLU 11 -15.271 -2.269 -8.720 81 HB2 GLU 11 2HB GLU 11 -16.696 -0.101 -9.613 82 HB3 GLU 11 3HB GLU 11 -15.209 0.032 -10.542 83 HG2 GLU 11 2HG GLU 11 -16.617 -2.592 -10.386 84 HG3 GLU 11 3HG GLU 11 -17.226 -1.332 -11.460 85 H ILE 12 HN ILE 12 -13.315 -3.017 -9.179 86 HA ILE 12 HA ILE 12 -10.975 -1.453 -8.725 87 HB ILE 12 HB ILE 12 -11.226 -4.178 -10.009 88 HG12 ILE 12 2HG1 ILE 12 -12.139 -3.987 -7.683 89 HG13 ILE 12 3HG1 ILE 12 -10.780 -5.097 -7.829 90 HG21 ILE 12 1HG2 ILE 12 -8.756 -3.746 -8.633 91 HG22 ILE 12 2HG2 ILE 12 -9.031 -4.152 -10.327 92 HG23 ILE 12 3HG2 ILE 12 -9.000 -2.463 -9.817 93 HD11 ILE 12 3HD1 ILE 12 -9.693 -3.994 -6.256 94 HD12 ILE 12 1HD1 ILE 12 -9.782 -2.508 -7.200 95 HD13 ILE 12 2HD1 ILE 12 -11.077 -2.916 -6.075 96 H THR 13 HN THR 13 -10.364 0.091 -10.091 97 HA THR 13 HA THR 13 -10.551 -0.435 -12.984 98 HB THR 13 HB THR 13 -10.453 2.092 -13.189 99 HG1 THR 13 1HG THR 13 -11.071 3.224 -11.289 100 HG21 THR 13 3HG2 THR 13 -12.834 1.122 -11.637 101 HG22 THR 13 1HG2 THR 13 -12.581 0.814 -13.355 102 HG23 THR 13 2HG2 THR 13 -12.759 2.468 -12.773 103 H GLU 14 HN GLU 14 -8.791 -0.011 -14.291 104 HA GLU 14 HA GLU 14 -6.310 -0.668 -13.655 105 HB2 GLU 14 2HB GLU 14 -7.412 0.405 -15.866 106 HB3 GLU 14 3HB GLU 14 -6.371 1.734 -15.379 107 HG2 GLU 14 2HG GLU 14 -4.437 0.288 -15.434 108 HG3 GLU 14 3HG GLU 14 -5.456 -1.099 -15.814 109 H ALA 15 HN ALA 15 -7.388 2.735 -13.419 110 HA ALA 15 HA ALA 15 -4.994 3.769 -12.415 111 HB1 ALA 15 1HB ALA 15 -6.767 5.442 -11.309 112 HB2 ALA 15 2HB ALA 15 -6.344 5.480 -13.022 113 HB3 ALA 15 3HB ALA 15 -7.811 4.656 -12.492 114 H LEU 16 HN LEU 16 -7.856 2.573 -10.689 115 HA LEU 16 HA LEU 16 -7.041 3.092 -8.089 116 HB2 LEU 16 2HB LEU 16 -9.215 1.926 -9.258 117 HB3 LEU 16 3HB LEU 16 -8.470 0.552 -8.461 118 HG LEU 16 HG LEU 16 -10.180 1.588 -7.054 119 HD11 LEU 16 1HD1 LEU 16 -8.655 2.094 -5.062 120 HD12 LEU 16 2HD1 LEU 16 -8.534 0.500 -5.809 121 HD13 LEU 16 3HD1 LEU 16 -7.322 1.733 -6.160 122 HD21 LEU 16 3HD2 LEU 16 -8.765 4.020 -7.828 123 HD22 LEU 16 1HD2 LEU 16 -10.418 3.800 -7.257 124 HD23 LEU 16 2HD2 LEU 16 -9.096 3.917 -6.098 125 H ARG 17 HN ARG 17 -6.663 0.089 -9.938 126 HA ARG 17 HA ARG 17 -5.096 -1.222 -7.968 127 HB2 ARG 17 2HB ARG 17 -4.575 -2.844 -9.768 128 HB3 ARG 17 3HB ARG 17 -6.296 -2.516 -9.622 129 HG2 ARG 17 2HG ARG 17 -6.267 -1.123 -11.562 130 HG3 ARG 17 3HG ARG 17 -4.507 -1.199 -11.649 131 HD2 ARG 17 2HD ARG 17 -5.225 -3.847 -11.659 132 HD3 ARG 17 3HD ARG 17 -6.515 -3.093 -12.594 133 HE ARG 17 HE ARG 17 -4.297 -2.026 -13.686 134 HH11 ARG 17 2HH1 ARG 17 -5.230 -5.315 -12.988 135 HH12 ARG 17 1HH1 ARG 17 -4.316 -5.983 -14.298 136 HH21 ARG 17 2HH2 ARG 17 -3.095 -2.905 -15.410 137 HH22 ARG 17 1HH2 ARG 17 -3.104 -4.617 -15.672 138 H GLU 18 HN GLU 18 -4.287 0.627 -10.867 139 HA GLU 18 HA GLU 18 -1.521 0.159 -10.852 140 HB2 GLU 18 2HB GLU 18 -3.259 2.312 -12.006 141 HB3 GLU 18 3HB GLU 18 -1.508 2.455 -12.087 142 HG2 GLU 18 2HG GLU 18 -2.934 0.009 -13.067 143 HG3 GLU 18 3HG GLU 18 -2.718 1.433 -14.083 144 H PHE 19 HN PHE 19 -3.313 3.011 -9.643 145 HA PHE 19 HA PHE 19 -1.172 4.394 -8.606 146 HB2 PHE 19 2HB PHE 19 -2.710 5.811 -7.724 147 HB3 PHE 19 3HB PHE 19 -3.806 4.877 -8.726 148 HD1 PHE 19 1HD PHE 19 -2.381 4.767 -5.261 149 HD2 PHE 19 2HD PHE 19 -5.744 4.201 -7.795 150 HE1 PHE 19 1HE PHE 19 -3.775 4.273 -3.295 151 HE2 PHE 19 2HE PHE 19 -7.144 3.699 -5.839 152 HZ PHE 19 HZ PHE 19 -6.163 3.737 -3.583 153 H VAL 20 HN VAL 20 -3.145 1.950 -6.922 154 HA VAL 20 HA VAL 20 -1.772 2.068 -4.471 155 HB VAL 20 HB VAL 20 -3.055 -0.401 -5.652 156 HG11 VAL 20 1HG1 VAL 20 -2.043 0.362 -2.982 157 HG12 VAL 20 2HG1 VAL 20 -3.566 -0.524 -3.027 158 HG13 VAL 20 3HG1 VAL 20 -2.120 -1.218 -3.759 159 HG21 VAL 20 3HG2 VAL 20 -4.335 1.980 -5.349 160 HG22 VAL 20 1HG2 VAL 20 -5.116 0.402 -5.249 161 HG23 VAL 20 2HG2 VAL 20 -4.615 1.234 -3.776 162 H THR 21 HN THR 21 -1.367 -0.158 -7.221 163 HA THR 21 HA THR 21 0.838 -1.554 -6.207 164 HB THR 21 HB THR 21 0.235 -0.992 -9.116 165 HG1 THR 21 1HG THR 21 -1.563 -1.963 -8.563 166 HG21 THR 21 3HG2 THR 21 1.434 -3.492 -7.989 167 HG22 THR 21 1HG2 THR 21 2.429 -2.127 -8.500 168 HG23 THR 21 2HG2 THR 21 1.383 -2.941 -9.664 169 H ALA 22 HN ALA 22 0.571 1.601 -7.589 170 HA ALA 22 HA ALA 22 3.129 2.024 -8.590 171 HB1 ALA 22 1HB ALA 22 1.593 4.125 -7.086 172 HB2 ALA 22 2HB ALA 22 2.679 4.328 -8.459 173 HB3 ALA 22 3HB ALA 22 1.105 3.569 -8.687 174 H LYS 23 HN LYS 23 1.909 2.410 -5.277 175 HA LYS 23 HA LYS 23 4.432 3.233 -4.213 176 HB2 LYS 23 2HB LYS 23 2.132 2.033 -2.669 177 HB3 LYS 23 3HB LYS 23 3.396 3.091 -2.061 178 HG2 LYS 23 2HG LYS 23 1.337 3.916 -4.094 179 HG3 LYS 23 3HG LYS 23 1.195 4.194 -2.357 180 HD2 LYS 23 2HD LYS 23 2.880 5.764 -2.335 181 HD3 LYS 23 3HD LYS 23 3.655 5.107 -3.778 182 HE2 LYS 23 2HE LYS 23 0.939 6.159 -4.180 183 HE3 LYS 23 3HE LYS 23 2.149 7.360 -3.734 184 HZ1 LYS 23 3HZ LYS 23 2.591 7.374 -5.911 185 HZ2 LYS 23 1HZ LYS 23 1.839 5.885 -6.193 186 HZ3 LYS 23 2HZ LYS 23 3.430 5.934 -5.620 187 H PHE 24 HN PHE 24 2.623 0.200 -4.346 188 HA PHE 24 HA PHE 24 4.413 -1.361 -2.832 189 HB2 PHE 24 2HB PHE 24 2.169 -1.875 -4.689 190 HB3 PHE 24 3HB PHE 24 3.321 -3.192 -4.503 191 HD1 PHE 24 2HD PHE 24 3.651 -4.255 -2.321 192 HD2 PHE 24 1HD PHE 24 0.700 -1.247 -2.917 193 HE1 PHE 24 2HE PHE 24 2.554 -4.921 -0.221 194 HE2 PHE 24 1HE PHE 24 -0.403 -1.907 -0.819 195 HZ PHE 24 HZ PHE 24 0.524 -3.747 0.532 196 H ALA 25 HN ALA 25 4.788 0.038 -5.885 197 HA ALA 25 HA ALA 25 6.568 -1.972 -6.967 198 HB1 ALA 25 1HB ALA 25 5.324 -0.804 -8.598 199 HB2 ALA 25 2HB ALA 25 5.731 0.764 -7.898 200 HB3 ALA 25 3HB ALA 25 6.970 -0.182 -8.723 201 H LYS 26 HN LYS 26 6.882 1.409 -5.886 202 HA LYS 26 HA LYS 26 9.717 1.414 -5.942 203 HB2 LYS 26 2HB LYS 26 8.218 3.442 -6.020 204 HB3 LYS 26 3HB LYS 26 7.935 3.216 -4.299 205 HG2 LYS 26 2HG LYS 26 10.552 3.263 -4.178 206 HG3 LYS 26 3HG LYS 26 10.393 4.111 -5.716 207 HD2 LYS 26 2HD LYS 26 10.425 5.802 -4.079 208 HD3 LYS 26 3HD LYS 26 8.728 5.626 -4.528 209 HE2 LYS 26 2HE LYS 26 8.356 4.214 -2.563 210 HE3 LYS 26 3HE LYS 26 10.053 4.393 -2.115 211 HZ1 LYS 26 3HZ LYS 26 9.329 6.942 -2.321 212 HZ2 LYS 26 1HZ LYS 26 9.230 6.065 -0.877 213 HZ3 LYS 26 2HZ LYS 26 7.853 6.269 -1.838 214 H LEU 27 HN LEU 27 7.467 0.084 -3.754 215 HA LEU 27 HA LEU 27 9.245 0.195 -1.463 216 HB2 LEU 27 2HB LEU 27 6.463 -0.756 -1.948 217 HB3 LEU 27 3HB LEU 27 7.346 -1.429 -0.592 218 HG LEU 27 HG LEU 27 7.632 0.798 0.362 219 HD11 LEU 27 1HD1 LEU 27 7.132 2.743 -0.659 220 HD12 LEU 27 2HD1 LEU 27 7.354 1.787 -2.123 221 HD13 LEU 27 3HD1 LEU 27 5.731 2.070 -1.494 222 HD21 LEU 27 3HD2 LEU 27 5.336 1.198 0.998 223 HD22 LEU 27 1HD2 LEU 27 4.763 0.265 -0.385 224 HD23 LEU 27 2HD2 LEU 27 5.642 -0.537 0.916 225 H GLU 28 HN GLU 28 8.105 -2.119 -3.848 226 HA GLU 28 HA GLU 28 9.129 -4.462 -2.715 227 HB2 GLU 28 2HB GLU 28 8.244 -3.595 -5.392 228 HB3 GLU 28 3HB GLU 28 9.362 -4.952 -5.379 229 HG2 GLU 28 2HG GLU 28 7.681 -5.798 -3.498 230 HG3 GLU 28 3HG GLU 28 6.574 -4.777 -4.414 231 H GLN 29 HN GLN 29 10.794 -1.778 -4.007 232 HA GLN 29 HA GLN 29 13.103 -3.101 -4.992 233 HB2 GLN 29 2HB GLN 29 12.428 -0.760 -5.563 234 HB3 GLN 29 3HB GLN 29 12.894 -0.277 -3.938 235 HG2 GLN 29 2HG GLN 29 14.983 -1.744 -5.335 236 HG3 GLN 29 3HG GLN 29 14.504 -0.258 -6.156 237 HE21 GLN 29 1HE2 GLN 29 13.969 1.459 -4.195 238 HE22 GLN 29 2HE2 GLN 29 15.354 1.733 -3.201 239 H TYR 30 HN TYR 30 12.546 -1.295 -1.958 240 HA TYR 30 HA TYR 30 14.972 -2.458 -0.849 241 HB2 TYR 30 2HB TYR 30 14.177 -1.009 1.199 242 HB3 TYR 30 3HB TYR 30 14.938 -0.258 -0.196 243 HD1 TYR 30 1HD TYR 30 11.645 -0.966 1.363 244 HD2 TYR 30 2HD TYR 30 13.812 1.405 -1.422 245 HE1 TYR 30 1HE TYR 30 9.700 0.517 1.123 246 HE2 TYR 30 2HE TYR 30 11.874 2.895 -1.672 247 HH TYR 30 HH TYR 30 9.202 2.804 0.438 248 H PHE 31 HN PHE 31 11.553 -2.935 -0.699 249 HA PHE 31 HA PHE 31 11.764 -4.544 1.730 250 HB2 PHE 31 2HB PHE 31 9.396 -3.714 0.046 251 HB3 PHE 31 3HB PHE 31 9.269 -4.825 1.403 252 HD1 PHE 31 1HD PHE 31 11.504 -3.170 2.968 253 HD2 PHE 31 2HD PHE 31 7.797 -2.220 1.111 254 HE1 PHE 31 1HE PHE 31 11.233 -1.264 4.496 255 HE2 PHE 31 2HE PHE 31 7.521 -0.309 2.632 256 HZ PHE 31 HZ PHE 31 9.241 0.172 4.328 257 H ASP 32 HN ASP 32 12.251 -6.623 1.606 258 HA ASP 32 HA ASP 32 11.744 -8.044 -0.916 259 HB2 ASP 32 2HB ASP 32 13.838 -8.244 1.180 260 HB3 ASP 32 3HB ASP 32 13.340 -9.747 0.411 261 H ARG 33 HN ARG 33 11.118 -8.085 2.522 262 HA ARG 33 HA ARG 33 10.009 -10.699 2.635 263 HB2 ARG 33 2HB ARG 33 9.300 -8.437 4.493 264 HB3 ARG 33 3HB ARG 33 9.327 -10.159 4.841 265 HG2 ARG 33 2HG ARG 33 11.421 -10.027 5.537 266 HG3 ARG 33 3HG ARG 33 11.928 -9.337 3.994 267 HD2 ARG 33 2HD ARG 33 10.787 -7.175 5.083 268 HD3 ARG 33 3HD ARG 33 11.279 -8.006 6.557 269 HE ARG 33 HE ARG 33 12.968 -6.625 4.754 270 HH11 ARG 33 2HH1 ARG 33 12.863 -9.452 6.795 271 HH12 ARG 33 1HH1 ARG 33 14.577 -9.500 7.033 272 HH21 ARG 33 2HH2 ARG 33 15.224 -6.684 5.066 273 HH22 ARG 33 1HH2 ARG 33 15.918 -7.927 6.051 274 H ILE 34 HN ILE 34 8.759 -10.329 0.560 275 HA ILE 34 HA ILE 34 6.016 -9.600 1.277 276 HB ILE 34 HB ILE 34 7.252 -8.712 -1.327 277 HG12 ILE 34 2HG1 ILE 34 6.579 -6.976 1.056 278 HG13 ILE 34 3HG1 ILE 34 8.207 -7.541 0.692 279 HG21 ILE 34 1HG2 ILE 34 4.790 -9.157 -1.238 280 HG22 ILE 34 2HG2 ILE 34 4.664 -7.869 -0.040 281 HG23 ILE 34 3HG2 ILE 34 5.228 -7.503 -1.670 282 HD11 ILE 34 3HD1 ILE 34 7.336 -5.178 -0.087 283 HD12 ILE 34 1HD1 ILE 34 8.452 -6.129 -1.067 284 HD13 ILE 34 2HD1 ILE 34 6.730 -6.123 -1.449 285 H ASN 35 HN ASN 35 4.930 -11.441 1.012 286 HA ASN 35 HA ASN 35 5.448 -13.024 -1.419 287 HB2 ASN 35 2HB ASN 35 4.509 -14.962 0.026 288 HB3 ASN 35 3HB ASN 35 6.171 -14.444 0.290 289 HD21 ASN 35 1HD2 ASN 35 6.663 -13.214 2.137 290 HD22 ASN 35 2HD2 ASN 35 5.630 -13.224 3.522 291 H GLN 36 HN GLN 36 2.956 -12.481 1.077 292 HA GLN 36 HA GLN 36 0.954 -12.411 -1.080 293 HB2 GLN 36 2HB GLN 36 0.814 -14.538 0.174 294 HB3 GLN 36 3HB GLN 36 0.575 -13.632 1.661 295 HG2 GLN 36 2HG GLN 36 -1.591 -14.006 1.213 296 HG3 GLN 36 3HG GLN 36 -1.402 -12.593 0.178 297 HE21 GLN 36 1HE2 GLN 36 -2.280 -12.841 -1.733 298 HE22 GLN 36 2HE2 GLN 36 -2.382 -14.313 -2.633 299 H VAL 37 HN VAL 37 0.085 -10.451 -1.192 300 HA VAL 37 HA VAL 37 -0.353 -8.968 1.318 301 HB VAL 37 HB VAL 37 0.127 -7.579 -1.302 302 HG11 VAL 37 1HG1 VAL 37 -0.573 -5.934 0.068 303 HG12 VAL 37 2HG1 VAL 37 -0.164 -6.830 1.531 304 HG13 VAL 37 3HG1 VAL 37 1.094 -5.975 0.639 305 HG21 VAL 37 3HG2 VAL 37 2.190 -8.499 -1.278 306 HG22 VAL 37 1HG2 VAL 37 2.494 -7.249 -0.073 307 HG23 VAL 37 2HG2 VAL 37 2.116 -8.893 0.439 308 H TYR 38 HN TYR 38 -2.339 -8.107 1.625 309 HA TYR 38 HA TYR 38 -4.209 -8.118 -0.635 310 HB2 TYR 38 2HB TYR 38 -5.955 -8.755 1.243 311 HB3 TYR 38 3HB TYR 38 -5.040 -9.995 0.395 312 HD1 TYR 38 1HD TYR 38 -2.730 -10.621 1.566 313 HD2 TYR 38 2HD TYR 38 -6.066 -8.864 3.540 314 HE1 TYR 38 1HE TYR 38 -1.907 -11.484 3.714 315 HE2 TYR 38 2HE TYR 38 -5.249 -9.720 5.694 316 HH TYR 38 HH TYR 38 -3.496 -11.973 6.232 317 H VAL 39 HN VAL 39 -5.332 -6.326 -0.874 318 HA VAL 39 HA VAL 39 -5.365 -4.379 1.345 319 HB VAL 39 HB VAL 39 -5.349 -3.719 -1.605 320 HG11 VAL 39 1HG1 VAL 39 -5.360 -2.080 0.901 321 HG12 VAL 39 2HG1 VAL 39 -4.681 -1.441 -0.596 322 HG13 VAL 39 3HG1 VAL 39 -6.373 -1.930 -0.534 323 HG21 VAL 39 3HG2 VAL 39 -3.079 -3.361 -1.542 324 HG22 VAL 39 1HG2 VAL 39 -3.050 -3.148 0.208 325 HG23 VAL 39 2HG2 VAL 39 -3.224 -4.762 -0.481 326 H VAL 40 HN VAL 40 -7.247 -3.168 1.671 327 HA VAL 40 HA VAL 40 -9.557 -3.733 -0.012 328 HB VAL 40 HB VAL 40 -9.710 -4.103 2.981 329 HG11 VAL 40 1HG1 VAL 40 -11.930 -4.410 2.743 330 HG12 VAL 40 2HG1 VAL 40 -11.702 -3.459 1.276 331 HG13 VAL 40 3HG1 VAL 40 -11.759 -5.219 1.186 332 HG21 VAL 40 3HG2 VAL 40 -9.706 -6.242 0.855 333 HG22 VAL 40 1HG2 VAL 40 -8.348 -5.871 1.918 334 HG23 VAL 40 2HG2 VAL 40 -9.858 -6.482 2.596 335 H LEU 41 HN LEU 41 -10.790 -2.037 -0.303 336 HA LEU 41 HA LEU 41 -10.591 0.209 1.571 337 HB2 LEU 41 2HB LEU 41 -10.848 1.600 -0.651 338 HB3 LEU 41 3HB LEU 41 -9.278 1.092 -0.061 339 HG LEU 41 HG LEU 41 -9.504 0.775 -2.483 340 HD11 LEU 41 1HD1 LEU 41 -9.417 -2.021 -1.735 341 HD12 LEU 41 2HD1 LEU 41 -8.159 -0.983 -2.408 342 HD13 LEU 41 3HD1 LEU 41 -8.455 -0.995 -0.670 343 HD21 LEU 41 3HD2 LEU 41 -12.010 0.250 -2.272 344 HD22 LEU 41 1HD2 LEU 41 -11.070 -0.602 -3.496 345 HD23 LEU 41 2HD2 LEU 41 -11.483 -1.407 -1.984 346 H LYS 42 HN LYS 42 -12.469 1.041 2.188 347 HA LYS 42 HA LYS 42 -14.893 0.213 0.744 348 HB2 LYS 42 2HB LYS 42 -14.906 -0.577 3.011 349 HB3 LYS 42 3HB LYS 42 -14.473 1.011 3.626 350 HG2 LYS 42 2HG LYS 42 -16.660 1.854 2.754 351 HG3 LYS 42 3HG LYS 42 -17.083 0.181 2.381 352 HD2 LYS 42 2HD LYS 42 -18.015 0.851 4.530 353 HD3 LYS 42 3HD LYS 42 -16.800 -0.412 4.743 354 HE2 LYS 42 2HE LYS 42 -15.180 1.170 5.488 355 HE3 LYS 42 3HE LYS 42 -16.213 2.527 5.042 356 HZ1 LYS 42 3HZ LYS 42 -16.665 2.433 7.243 357 HZ2 LYS 42 1HZ LYS 42 -16.345 0.776 7.373 358 HZ3 LYS 42 2HZ LYS 42 -17.817 1.307 6.730 359 H VAL 43 HN VAL 43 -16.326 1.696 0.003 360 HA VAL 43 HA VAL 43 -15.601 4.530 0.362 361 HB VAL 43 HB VAL 43 -16.957 3.308 -2.046 362 HG11 VAL 43 1HG1 VAL 43 -17.055 5.895 -1.200 363 HG12 VAL 43 2HG1 VAL 43 -15.646 5.923 -2.260 364 HG13 VAL 43 3HG1 VAL 43 -17.205 5.379 -2.879 365 HG21 VAL 43 3HG2 VAL 43 -14.460 2.753 -1.543 366 HG22 VAL 43 1HG2 VAL 43 -14.939 3.250 -3.166 367 HG23 VAL 43 2HG2 VAL 43 -14.179 4.409 -2.077 368 H GLU 44 HN GLU 44 -17.027 5.621 1.515 369 HA GLU 44 HA GLU 44 -19.882 5.080 1.139 370 HB2 GLU 44 2HB GLU 44 -20.107 5.524 3.674 371 HB3 GLU 44 3HB GLU 44 -19.578 3.933 3.146 372 HG2 GLU 44 2HG GLU 44 -17.252 4.580 3.583 373 HG3 GLU 44 3HG GLU 44 -17.815 6.149 4.158 374 H LYS 45 HN LYS 45 -21.258 6.854 1.616 375 HA LYS 45 HA LYS 45 -20.372 9.320 0.727 376 HB2 LYS 45 2HB LYS 45 -22.768 8.403 0.963 377 HB3 LYS 45 3HB LYS 45 -22.708 9.047 2.599 378 HG2 LYS 45 2HG LYS 45 -21.854 10.972 0.591 379 HG3 LYS 45 3HG LYS 45 -23.507 10.403 0.349 380 HD2 LYS 45 2HD LYS 45 -23.492 10.831 3.028 381 HD3 LYS 45 3HD LYS 45 -22.374 12.084 2.480 382 HE2 LYS 45 2HE LYS 45 -24.442 13.142 2.401 383 HE3 LYS 45 3HE LYS 45 -24.187 12.630 0.735 384 HZ1 LYS 45 3HZ LYS 45 -25.903 11.313 2.765 385 HZ2 LYS 45 1HZ LYS 45 -25.550 10.642 1.252 386 HZ3 LYS 45 2HZ LYS 45 -26.408 12.097 1.355 387 H VAL 46 HN VAL 46 -19.961 7.949 3.846 388 HA VAL 46 HA VAL 46 -19.658 10.526 5.146 389 HB VAL 46 HB VAL 46 -18.776 8.831 7.040 390 HG11 VAL 46 1HG1 VAL 46 -21.429 9.898 6.296 391 HG12 VAL 46 2HG1 VAL 46 -21.394 8.654 7.545 392 HG13 VAL 46 3HG1 VAL 46 -20.471 10.143 7.756 393 HG21 VAL 46 3HG2 VAL 46 -20.901 7.182 5.724 394 HG22 VAL 46 1HG2 VAL 46 -19.199 6.938 5.334 395 HG23 VAL 46 2HG2 VAL 46 -19.761 6.729 6.991 396 H THR 47 HN THR 47 -17.486 7.771 5.616 397 HA THR 47 HA THR 47 -15.249 9.470 4.739 398 HB THR 47 HB THR 47 -15.094 7.622 7.116 399 HG1 THR 47 1HG THR 47 -15.607 10.410 7.075 400 HG21 THR 47 3HG2 THR 47 -12.932 8.071 6.963 401 HG22 THR 47 1HG2 THR 47 -13.334 9.718 7.449 402 HG23 THR 47 2HG2 THR 47 -13.197 9.312 5.738 403 H HIS 48 HN HIS 48 -13.380 8.374 3.980 404 HA HIS 48 HA HIS 48 -13.993 5.755 2.834 405 HB2 HIS 48 2HB HIS 48 -11.758 7.714 2.261 406 HB3 HIS 48 3HB HIS 48 -11.964 6.168 1.443 407 HD1 HIS 48 1HD HIS 48 -12.720 6.726 -0.847 408 HD2 HIS 48 2HD HIS 48 -14.683 8.991 2.031 409 HE1 HIS 48 1HE HIS 48 -14.435 8.067 -2.104 410 HE2 HIS 48 2HE HIS 48 -15.670 9.364 -0.331 411 H THR 49 HN THR 49 -12.881 3.911 3.328 412 HA THR 49 HA THR 49 -10.652 4.160 5.238 413 HB THR 49 HB THR 49 -12.857 2.102 5.414 414 HG1 THR 49 1HG THR 49 -13.617 4.136 6.032 415 HG21 THR 49 3HG2 THR 49 -11.945 1.457 7.504 416 HG22 THR 49 1HG2 THR 49 -10.754 2.758 7.455 417 HG23 THR 49 2HG2 THR 49 -10.637 1.412 6.321 418 H SER 50 HN SER 50 -8.938 2.911 4.875 419 HA SER 50 HA SER 50 -9.160 0.690 2.962 420 HB2 SER 50 2HB SER 50 -7.059 1.384 1.882 421 HB3 SER 50 3HB SER 50 -8.293 2.636 1.733 422 HG SER 50 HG SER 50 -6.267 2.601 3.721 423 H ASP 51 HN ASP 51 -7.686 -1.014 3.280 424 HA ASP 51 HA ASP 51 -5.942 -0.815 5.630 425 HB2 ASP 51 2HB ASP 51 -6.704 -2.999 6.441 426 HB3 ASP 51 3HB ASP 51 -8.041 -1.857 6.376 427 H ALA 52 HN ALA 52 -4.099 -2.100 5.567 428 HA ALA 52 HA ALA 52 -3.715 -3.807 3.221 429 HB1 ALA 52 1HB ALA 52 -2.695 -1.221 3.327 430 HB2 ALA 52 2HB ALA 52 -1.325 -2.262 3.710 431 HB3 ALA 52 3HB ALA 52 -2.224 -2.504 2.213 432 H THR 53 HN THR 53 -3.231 -5.710 4.056 433 HA THR 53 HA THR 53 -1.511 -5.846 6.437 434 HB THR 53 HB THR 53 -3.112 -8.121 5.281 435 HG1 THR 53 1HG THR 53 -4.768 -7.531 6.683 436 HG21 THR 53 3HG2 THR 53 -1.292 -8.251 7.217 437 HG22 THR 53 1HG2 THR 53 -2.747 -9.247 7.198 438 HG23 THR 53 2HG2 THR 53 -2.693 -7.784 8.179 439 H LEU 54 HN LEU 54 0.570 -6.134 5.969 440 HA LEU 54 HA LEU 54 1.297 -7.636 3.562 441 HB2 LEU 54 2HB LEU 54 2.774 -5.690 5.306 442 HB3 LEU 54 3HB LEU 54 3.629 -6.725 4.180 443 HG LEU 54 HG LEU 54 2.473 -5.734 2.302 444 HD11 LEU 54 1HD1 LEU 54 1.047 -3.634 2.904 445 HD12 LEU 54 2HD1 LEU 54 0.321 -5.240 2.942 446 HD13 LEU 54 3HD1 LEU 54 0.828 -4.467 4.443 447 HD21 LEU 54 3HD2 LEU 54 3.436 -3.560 2.348 448 HD22 LEU 54 1HD2 LEU 54 3.385 -3.507 4.111 449 HD23 LEU 54 2HD2 LEU 54 4.488 -4.614 3.293 450 H HIS 55 HN HIS 55 2.689 -9.380 3.598 451 HA HIS 55 HA HIS 55 2.801 -10.799 6.149 452 HB2 HIS 55 2HB HIS 55 2.989 -11.609 3.276 453 HB3 HIS 55 3HB HIS 55 3.726 -12.642 4.497 454 HD1 HIS 55 1HD HIS 55 2.197 -14.500 5.023 455 HD2 HIS 55 2HD HIS 55 0.132 -10.955 4.361 456 HE1 HIS 55 1HE HIS 55 -0.227 -15.056 5.389 457 HE2 HIS 55 2HE HIS 55 -1.447 -12.874 5.080 458 H VAL 56 HN VAL 56 4.613 -11.062 7.284 459 HA VAL 56 HA VAL 56 7.137 -10.134 6.092 460 HB VAL 56 HB VAL 56 6.739 -10.583 9.036 461 HG11 VAL 56 1HG1 VAL 56 8.967 -10.165 8.659 462 HG12 VAL 56 2HG1 VAL 56 8.647 -9.095 7.294 463 HG13 VAL 56 3HG1 VAL 56 8.362 -8.532 8.940 464 HG21 VAL 56 3HG2 VAL 56 5.992 -8.096 7.500 465 HG22 VAL 56 1HG2 VAL 56 4.895 -9.154 8.388 466 HG23 VAL 56 2HG2 VAL 56 6.105 -8.210 9.257 467 H ASN 57 HN ASN 57 9.129 -11.261 6.939 468 HA ASN 57 HA ASN 57 9.252 -13.879 6.175 469 HB2 ASN 57 2HB ASN 57 10.941 -12.220 8.000 470 HB3 ASN 57 3HB ASN 57 11.273 -13.945 7.873 471 HD21 ASN 57 1HD2 ASN 57 12.772 -11.519 7.011 472 HD22 ASN 57 2HD2 ASN 57 13.116 -11.784 5.339 473 H GLY 58 HN GLY 58 9.529 -13.012 9.627 474 HA2 GLY 58 2HA GLY 58 8.150 -15.546 10.249 475 HA3 GLY 58 3HA GLY 58 9.329 -14.766 11.294 476 H GLY 59 HN GLY 59 6.815 -12.996 9.628 477 HA2 GLY 59 2HA GLY 59 4.950 -13.016 11.790 478 HA3 GLY 59 3HA GLY 59 5.933 -11.560 11.805 479 H GLU 60 HN GLU 60 3.405 -11.018 11.554 480 HA GLU 60 HA GLU 60 3.121 -10.256 8.745 481 HB2 GLU 60 2HB GLU 60 1.183 -11.870 10.351 482 HB3 GLU 60 3HB GLU 60 0.567 -10.740 9.153 483 HG2 GLU 60 2HG GLU 60 1.425 -11.925 7.387 484 HG3 GLU 60 3HG GLU 60 2.688 -12.674 8.364 485 H ILE 61 HN ILE 61 2.606 -8.175 8.524 486 HA ILE 61 HA ILE 61 1.744 -6.703 10.914 487 HB ILE 61 HB ILE 61 2.811 -5.550 8.336 488 HG12 ILE 61 2HG1 ILE 61 4.415 -5.765 10.862 489 HG13 ILE 61 3HG1 ILE 61 4.352 -7.127 9.749 490 HG21 ILE 61 1HG2 ILE 61 3.197 -3.551 9.690 491 HG22 ILE 61 2HG2 ILE 61 1.494 -4.005 9.678 492 HG23 ILE 61 3HG2 ILE 61 2.490 -4.362 11.088 493 HD11 ILE 61 3HD1 ILE 61 6.081 -4.969 9.649 494 HD12 ILE 61 1HD1 ILE 61 5.820 -6.176 8.389 495 HD13 ILE 61 2HD1 ILE 61 4.915 -4.661 8.362 496 H HIS 62 HN HIS 62 -0.087 -5.427 10.923 497 HA HIS 62 HA HIS 62 -1.727 -5.405 8.491 498 HB2 HIS 62 2HB HIS 62 -2.426 -7.205 10.178 499 HB3 HIS 62 3HB HIS 62 -2.926 -5.873 11.218 500 HD1 HIS 62 1HD HIS 62 -4.979 -7.907 10.163 501 HD2 HIS 62 2HD HIS 62 -4.111 -4.292 8.309 502 HE1 HIS 62 1HE HIS 62 -7.006 -7.358 8.781 503 HE2 HIS 62 2HE HIS 62 -6.420 -5.214 7.595 504 H ALA 63 HN ALA 63 -1.957 -3.330 7.967 505 HA ALA 63 HA ALA 63 -2.438 -1.392 10.139 506 HB1 ALA 63 1HB ALA 63 -1.120 -0.778 7.499 507 HB2 ALA 63 2HB ALA 63 -1.280 0.289 8.895 508 HB3 ALA 63 3HB ALA 63 -0.237 -1.131 8.985 509 H SER 64 HN SER 64 -3.969 0.276 9.748 510 HA SER 64 HA SER 64 -5.526 0.123 7.296 511 HB2 SER 64 2HB SER 64 -7.651 0.058 8.535 512 HB3 SER 64 3HB SER 64 -6.686 -1.377 8.882 513 HG SER 64 HG SER 64 -5.939 -0.122 10.780 514 H ALA 65 HN ALA 65 -5.898 2.152 6.571 515 HA ALA 65 HA ALA 65 -6.016 4.322 8.547 516 HB1 ALA 65 1HB ALA 65 -4.596 5.010 6.069 517 HB2 ALA 65 2HB ALA 65 -4.264 5.468 7.740 518 HB3 ALA 65 3HB ALA 65 -3.752 3.891 7.139 519 H GLU 66 HN GLU 66 -6.701 6.407 7.538 520 HA GLU 66 HA GLU 66 -8.394 6.175 5.187 521 HB2 GLU 66 2HB GLU 66 -10.308 7.244 6.468 522 HB3 GLU 66 3HB GLU 66 -10.003 5.549 6.815 523 HG2 GLU 66 2HG GLU 66 -10.041 6.136 8.955 524 HG3 GLU 66 3HG GLU 66 -8.448 6.838 8.672 525 H GLY 67 HN GLY 67 -9.341 8.394 4.637 526 HA2 GLY 67 2HA GLY 67 -7.896 10.635 5.798 527 HA3 GLY 67 3HA GLY 67 -7.490 10.259 4.132 528 H GLN 68 HN GLN 68 -9.570 9.956 2.728 529 HA GLN 68 HA GLN 68 -11.923 11.340 3.365 530 HB2 GLN 68 2HB GLN 68 -10.357 13.280 3.411 531 HB3 GLN 68 3HB GLN 68 -10.003 12.986 1.714 532 HG2 GLN 68 2HG GLN 68 -11.585 14.739 1.810 533 HG3 GLN 68 3HG GLN 68 -12.434 13.305 1.238 534 HE21 GLN 68 1HE2 GLN 68 -14.015 15.187 2.112 535 HE22 GLN 68 2HE2 GLN 68 -14.640 14.849 3.686 536 H ASP 69 HN ASP 69 -9.777 9.942 1.033 537 HA ASP 69 HA ASP 69 -12.059 9.321 -0.654 538 HB2 ASP 69 2HB ASP 69 -10.598 9.855 -2.698 539 HB3 ASP 69 3HB ASP 69 -11.316 11.216 -1.843 540 H MET 70 HN MET 70 -11.188 7.819 -2.530 541 HA MET 70 HA MET 70 -10.152 5.516 -1.278 542 HB2 MET 70 2HB MET 70 -11.631 5.708 -3.380 543 HB3 MET 70 3HB MET 70 -10.124 5.951 -4.252 544 HG2 MET 70 2HG MET 70 -10.212 3.724 -4.478 545 HG3 MET 70 3HG MET 70 -9.499 3.739 -2.867 546 HE1 MET 70 3HE MET 70 -11.022 3.616 -0.624 547 HE2 MET 70 1HE MET 70 -12.124 4.843 -1.250 548 HE3 MET 70 2HE MET 70 -12.758 3.308 -0.655 549 H TYR 71 HN TYR 71 -8.600 8.210 -2.764 550 HA TYR 71 HA TYR 71 -6.099 6.776 -3.163 551 HB2 TYR 71 2HB TYR 71 -6.771 9.694 -3.594 552 HB3 TYR 71 3HB TYR 71 -5.264 8.910 -4.057 553 HD1 TYR 71 1HD TYR 71 -5.723 6.660 -5.518 554 HD2 TYR 71 2HD TYR 71 -8.267 10.061 -5.300 555 HE1 TYR 71 1HE TYR 71 -6.694 6.064 -7.697 556 HE2 TYR 71 2HE TYR 71 -9.248 9.475 -7.478 557 HH TYR 71 HH TYR 71 -7.874 7.281 -9.582 558 H ALA 72 HN ALA 72 -7.484 9.219 -1.038 559 HA ALA 72 HA ALA 72 -5.116 9.925 0.314 560 HB1 ALA 72 1HB ALA 72 -6.486 11.046 1.861 561 HB2 ALA 72 2HB ALA 72 -7.351 11.137 0.326 562 HB3 ALA 72 3HB ALA 72 -7.851 9.974 1.554 563 H ALA 73 HN ALA 73 -7.648 7.560 1.119 564 HA ALA 73 HA ALA 73 -6.695 6.696 3.568 565 HB1 ALA 73 1HB ALA 73 -7.826 4.681 1.690 566 HB2 ALA 73 2HB ALA 73 -8.176 4.957 3.396 567 HB3 ALA 73 3HB ALA 73 -8.827 6.050 2.175 568 H ILE 74 HN ILE 74 -5.659 5.773 0.334 569 HA ILE 74 HA ILE 74 -3.921 3.679 1.262 570 HB ILE 74 HB ILE 74 -4.075 5.030 -1.436 571 HG12 ILE 74 2HG1 ILE 74 -6.112 3.804 -0.827 572 HG13 ILE 74 3HG1 ILE 74 -5.247 2.985 -2.123 573 HG21 ILE 74 1HG2 ILE 74 -2.955 2.641 -1.944 574 HG22 ILE 74 2HG2 ILE 74 -2.021 4.107 -1.652 575 HG23 ILE 74 3HG2 ILE 74 -2.283 2.953 -0.345 576 HD11 ILE 74 3HD1 ILE 74 -5.199 2.220 0.784 577 HD12 ILE 74 1HD1 ILE 74 -6.098 1.404 -0.495 578 HD13 ILE 74 2HD1 ILE 74 -4.334 1.400 -0.515 579 H ASP 75 HN ASP 75 -3.637 7.097 0.659 580 HA ASP 75 HA ASP 75 -0.816 7.213 0.426 581 HB2 ASP 75 2HB ASP 75 -2.870 9.020 0.157 582 HB3 ASP 75 3HB ASP 75 -2.091 9.562 1.640 583 H GLY 76 HN GLY 76 -2.945 7.994 3.183 584 HA2 GLY 76 2HA GLY 76 -0.822 8.307 5.035 585 HA3 GLY 76 3HA GLY 76 -2.517 8.075 5.440 586 H LEU 77 HN LEU 77 -2.753 5.534 4.066 587 HA LEU 77 HA LEU 77 -1.867 3.839 6.185 588 HB2 LEU 77 2HB LEU 77 -3.971 3.458 4.983 589 HB3 LEU 77 3HB LEU 77 -3.077 3.147 3.509 590 HG LEU 77 HG LEU 77 -2.162 1.116 4.400 591 HD11 LEU 77 1HD1 LEU 77 -3.582 1.756 6.980 592 HD12 LEU 77 2HD1 LEU 77 -2.609 0.327 6.636 593 HD13 LEU 77 3HD1 LEU 77 -1.847 1.916 6.713 594 HD21 LEU 77 3HD2 LEU 77 -4.675 1.358 3.642 595 HD22 LEU 77 1HD2 LEU 77 -4.050 -0.164 4.277 596 HD23 LEU 77 2HD2 LEU 77 -4.981 0.909 5.319 597 H ILE 78 HN ILE 78 -0.993 4.125 2.753 598 HA ILE 78 HA ILE 78 0.986 2.108 2.792 599 HB ILE 78 HB ILE 78 -0.140 3.141 0.747 600 HG12 ILE 78 2HG1 ILE 78 2.255 3.067 -0.478 601 HG13 ILE 78 3HG1 ILE 78 2.696 2.335 1.061 602 HG21 ILE 78 1HG2 ILE 78 2.056 5.012 0.339 603 HG22 ILE 78 2HG2 ILE 78 0.326 5.211 0.054 604 HG23 ILE 78 3HG2 ILE 78 0.990 5.472 1.667 605 HD11 ILE 78 3HD1 ILE 78 0.774 1.358 -1.007 606 HD12 ILE 78 1HD1 ILE 78 2.139 0.524 -0.264 607 HD13 ILE 78 2HD1 ILE 78 0.667 0.806 0.664 608 H ASP 79 HN ASP 79 0.981 5.326 3.972 609 HA ASP 79 HA ASP 79 3.832 5.720 3.825 610 HB2 ASP 79 2HB ASP 79 1.902 7.504 3.957 611 HB3 ASP 79 3HB ASP 79 2.061 7.256 5.692 612 H LYS 80 HN LYS 80 1.467 4.969 6.358 613 HA LYS 80 HA LYS 80 3.331 4.725 8.461 614 HB2 LYS 80 2HB LYS 80 0.621 3.413 8.168 615 HB3 LYS 80 3HB LYS 80 1.528 3.572 9.665 616 HG2 LYS 80 2HG LYS 80 1.207 5.891 9.747 617 HG3 LYS 80 3HG LYS 80 0.707 5.966 8.057 618 HD2 LYS 80 2HD LYS 80 -1.239 4.441 8.799 619 HD3 LYS 80 3HD LYS 80 -0.818 4.958 10.434 620 HE2 LYS 80 2HE LYS 80 -1.009 7.159 8.523 621 HE3 LYS 80 3HE LYS 80 -2.519 6.269 8.723 622 HZ1 LYS 80 3HZ LYS 80 -2.571 6.744 10.999 623 HZ2 LYS 80 1HZ LYS 80 -2.108 8.203 10.279 624 HZ3 LYS 80 2HZ LYS 80 -0.952 7.234 11.040 625 H LEU 81 HN LEU 81 2.180 2.491 6.013 626 HA LEU 81 HA LEU 81 3.146 0.124 7.206 627 HB2 LEU 81 2HB LEU 81 2.282 0.907 4.472 628 HB3 LEU 81 3HB LEU 81 3.186 -0.583 4.659 629 HG LEU 81 HG LEU 81 1.172 -0.620 6.638 630 HD11 LEU 81 1HD1 LEU 81 0.329 0.728 4.185 631 HD12 LEU 81 2HD1 LEU 81 -0.679 -0.640 4.654 632 HD13 LEU 81 3HD1 LEU 81 -0.419 0.689 5.782 633 HD21 LEU 81 3HD2 LEU 81 1.927 -2.137 4.216 634 HD22 LEU 81 1HD2 LEU 81 1.694 -2.686 5.876 635 HD23 LEU 81 2HD2 LEU 81 0.297 -2.389 4.842 636 H ALA 82 HN ALA 82 4.549 2.223 4.682 637 HA ALA 82 HA ALA 82 6.900 0.808 4.259 638 HB1 ALA 82 1HB ALA 82 7.856 2.908 3.445 639 HB2 ALA 82 2HB ALA 82 6.211 2.673 2.852 640 HB3 ALA 82 3HB ALA 82 6.520 3.799 4.174 641 H ARG 83 HN ARG 83 6.496 3.627 6.410 642 HA ARG 83 HA ARG 83 9.003 3.593 7.577 643 HB2 ARG 83 2HB ARG 83 6.350 4.657 8.329 644 HB3 ARG 83 3HB ARG 83 7.505 4.486 9.641 645 HG2 ARG 83 2HG ARG 83 8.752 5.706 7.353 646 HG3 ARG 83 3HG ARG 83 7.300 6.591 7.825 647 HD2 ARG 83 2HD ARG 83 8.954 7.586 9.111 648 HD3 ARG 83 3HD ARG 83 8.248 6.411 10.220 649 HE ARG 83 HE ARG 83 10.232 5.262 10.220 650 HH11 ARG 83 2HH1 ARG 83 10.246 7.558 7.592 651 HH12 ARG 83 1HH1 ARG 83 11.920 7.313 7.222 652 HH21 ARG 83 2HH2 ARG 83 12.434 4.939 9.735 653 HH22 ARG 83 1HH2 ARG 83 13.162 5.826 8.438 654 H GLN 84 HN GLN 84 6.210 1.601 8.300 655 HA GLN 84 HA GLN 84 7.262 0.559 10.755 656 HB2 GLN 84 2HB GLN 84 4.940 -0.119 8.986 657 HB3 GLN 84 3HB GLN 84 5.422 -1.233 10.259 658 HG2 GLN 84 2HG GLN 84 5.061 1.611 10.999 659 HG3 GLN 84 3HG GLN 84 3.616 0.669 10.633 660 HE21 GLN 84 1HE2 GLN 84 2.884 -0.782 12.084 661 HE22 GLN 84 2HE2 GLN 84 3.624 -1.090 13.614 662 H LEU 85 HN LEU 85 6.989 -0.669 7.441 663 HA LEU 85 HA LEU 85 8.084 -3.200 7.848 664 HB2 LEU 85 2HB LEU 85 7.854 -1.376 5.501 665 HB3 LEU 85 3HB LEU 85 8.899 -2.776 5.360 666 HG LEU 85 HG LEU 85 6.550 -3.059 4.487 667 HD11 LEU 85 1HD1 LEU 85 8.197 -4.827 5.961 668 HD12 LEU 85 2HD1 LEU 85 6.519 -5.187 6.365 669 HD13 LEU 85 3HD1 LEU 85 7.042 -5.204 4.682 670 HD21 LEU 85 3HD2 LEU 85 4.952 -3.747 6.425 671 HD22 LEU 85 1HD2 LEU 85 5.958 -2.668 7.388 672 HD23 LEU 85 2HD2 LEU 85 5.107 -2.052 5.974 673 H THR 86 HN THR 86 9.690 -0.131 7.087 674 HA THR 86 HA THR 86 12.302 -1.222 6.918 675 HB THR 86 HB THR 86 11.523 1.616 7.605 676 HG1 THR 86 1HG THR 86 11.415 1.983 5.447 677 HG21 THR 86 3HG2 THR 86 13.936 1.005 7.875 678 HG22 THR 86 1HG2 THR 86 13.603 2.293 6.718 679 HG23 THR 86 2HG2 THR 86 13.966 0.666 6.144 680 H LYS 87 HN LYS 87 10.426 0.202 9.541 681 HA LYS 87 HA LYS 87 12.400 0.458 11.472 682 HB2 LYS 87 2HB LYS 87 9.623 0.703 11.380 683 HB3 LYS 87 3HB LYS 87 9.912 -0.521 12.608 684 HG2 LYS 87 2HG LYS 87 9.828 1.584 13.698 685 HG3 LYS 87 3HG LYS 87 11.513 1.059 13.694 686 HD2 LYS 87 2HD LYS 87 11.963 2.504 11.775 687 HD3 LYS 87 3HD LYS 87 10.274 3.018 11.758 688 HE2 LYS 87 2HE LYS 87 12.287 3.488 13.954 689 HE3 LYS 87 3HE LYS 87 11.628 4.696 12.851 690 HZ1 LYS 87 3HZ LYS 87 9.394 4.108 13.802 691 HZ2 LYS 87 1HZ LYS 87 10.447 4.906 14.860 692 HZ3 LYS 87 2HZ LYS 87 10.207 3.239 15.003 693 H HIS 88 HN HIS 88 10.117 -2.278 11.223 694 HA HIS 88 HA HIS 88 11.611 -3.910 12.994 695 HB2 HIS 88 2HB HIS 88 9.976 -5.526 12.676 696 HB3 HIS 88 3HB HIS 88 9.101 -4.049 12.293 697 HD1 HIS 88 1HD HIS 88 7.896 -4.050 10.124 698 HD2 HIS 88 2HD HIS 88 10.916 -6.901 10.233 699 HE1 HIS 88 1HE HIS 88 7.675 -5.345 7.980 700 HE2 HIS 88 2HE HIS 88 9.568 -7.008 8.027 701 H LYS 89 HN LYS 89 12.013 -3.151 9.694 702 HA LYS 89 HA LYS 89 13.359 -5.590 8.962 703 HB2 LYS 89 2HB LYS 89 12.181 -4.371 7.244 704 HB3 LYS 89 3HB LYS 89 13.115 -2.919 7.571 705 HG2 LYS 89 2HG LYS 89 15.150 -4.118 6.827 706 HG3 LYS 89 3HG LYS 89 14.136 -5.498 6.398 707 HD2 LYS 89 2HD LYS 89 13.364 -4.507 4.529 708 HD3 LYS 89 3HD LYS 89 13.244 -2.924 5.299 709 HE2 LYS 89 2HE LYS 89 14.896 -2.924 3.494 710 HE3 LYS 89 3HE LYS 89 15.643 -2.604 5.057 711 HZ1 LYS 89 3HZ LYS 89 16.940 -4.165 3.740 712 HZ2 LYS 89 1HZ LYS 89 15.625 -5.228 3.667 713 HZ3 LYS 89 2HZ LYS 89 16.367 -4.901 5.152 714 H ASP 90 HN ASP 90 14.225 -2.725 10.603 715 HA ASP 90 HA ASP 90 16.961 -2.592 9.831 716 HB2 ASP 90 2HB ASP 90 15.370 -1.447 12.114 717 HB3 ASP 90 3HB ASP 90 17.122 -1.269 12.052 718 H LYS 91 HN LYS 91 15.367 -3.772 12.793 719 HA LYS 91 HA LYS 91 17.600 -4.802 14.071 720 HB2 LYS 91 2HB LYS 91 15.929 -6.408 15.148 721 HB3 LYS 91 3HB LYS 91 15.622 -4.689 15.338 722 HG2 LYS 91 2HG LYS 91 13.562 -5.103 14.630 723 HG3 LYS 91 3HG LYS 91 14.259 -5.337 13.028 724 HD2 LYS 91 2HD LYS 91 14.474 -7.711 13.419 725 HD3 LYS 91 3HD LYS 91 13.918 -7.517 15.082 726 HE2 LYS 91 2HE LYS 91 11.989 -6.338 13.360 727 HE3 LYS 91 3HE LYS 91 12.376 -7.940 12.737 728 HZ1 LYS 91 3HZ LYS 91 10.836 -8.561 14.233 729 HZ2 LYS 91 1HZ LYS 91 11.033 -7.183 15.196 730 HZ3 LYS 91 2HZ LYS 91 12.123 -8.471 15.327 731 H LEU 92 HN LEU 92 15.874 -6.026 11.334 732 HA LEU 92 HA LEU 92 17.060 -8.671 11.538 733 HB2 LEU 92 2HB LEU 92 15.076 -7.367 9.722 734 HB3 LEU 92 3HB LEU 92 15.899 -8.820 9.186 735 HG LEU 92 HG LEU 92 14.645 -8.939 11.867 736 HD11 LEU 92 1HD1 LEU 92 13.075 -8.720 9.315 737 HD12 LEU 92 2HD1 LEU 92 12.447 -9.514 10.759 738 HD13 LEU 92 3HD1 LEU 92 12.871 -7.802 10.807 739 HD21 LEU 92 3HD2 LEU 92 13.882 -11.141 10.539 740 HD22 LEU 92 1HD2 LEU 92 15.330 -10.727 9.621 741 HD23 LEU 92 2HD2 LEU 92 15.436 -10.994 11.362 742 H LYS 93 HN LYS 93 19.087 -6.939 11.451 743 HA LYS 93 HA LYS 93 20.451 -7.668 9.051 744 HB2 LYS 93 2HB LYS 93 19.075 -5.176 9.060 745 HB3 LYS 93 3HB LYS 93 20.799 -4.836 9.119 746 HG2 LYS 93 2HG LYS 93 21.139 -5.532 7.016 747 HG3 LYS 93 3HG LYS 93 20.018 -6.884 7.172 748 HD2 LYS 93 2HD LYS 93 18.290 -5.705 6.340 749 HD3 LYS 93 3HD LYS 93 18.752 -4.236 7.200 750 HE2 LYS 93 2HE LYS 93 18.886 -3.982 4.752 751 HE3 LYS 93 3HE LYS 93 20.444 -3.756 5.543 752 HZ1 LYS 93 3HZ LYS 93 20.250 -5.235 3.434 753 HZ2 LYS 93 1HZ LYS 93 19.732 -6.418 4.527 754 HZ3 LYS 93 2HZ LYS 93 21.257 -5.711 4.707 755 H GLN 94 HN GLN 94 22.106 -8.501 10.212 756 HA GLN 94 HA GLN 94 23.210 -7.276 12.522 757 HB2 GLN 94 2HB GLN 94 24.974 -8.972 12.330 758 HB3 GLN 94 3HB GLN 94 23.377 -9.682 12.143 759 HG2 GLN 94 2HG GLN 94 23.921 -9.235 9.577 760 HG3 GLN 94 3HG GLN 94 25.569 -9.394 10.183 761 HE21 GLN 94 1HE2 GLN 94 22.633 -11.005 9.436 762 HE22 GLN 94 2HE2 GLN 94 23.168 -12.612 9.775 763 H HIS 95 HN HIS 95 23.420 -5.101 11.491 764 HA HIS 95 HA HIS 95 25.822 -4.835 9.833 765 HB2 HIS 95 2HB HIS 95 23.365 -3.234 10.219 766 HB3 HIS 95 3HB HIS 95 24.846 -2.310 9.997 767 HD1 HIS 95 1HD HIS 95 24.660 -5.535 8.199 768 HD2 HIS 95 2HD HIS 95 23.815 -1.536 7.450 769 HE1 HIS 95 1HE HIS 95 24.397 -5.359 5.704 770 HE2 HIS 95 2HE HIS 95 23.802 -2.947 5.283 Start of MODEL 12 1 H1 MET 1 1H MET 1 5.483 -14.796 -3.464 2 H2 MET 1 2H MET 1 4.028 -15.028 -4.345 3 H3 MET 1 3H MET 1 4.025 -14.082 -2.912 4 HA MET 1 HA MET 1 5.186 -12.375 -3.882 5 HB2 MET 1 2HB MET 1 6.012 -14.552 -5.704 6 HB3 MET 1 3HB MET 1 5.816 -12.975 -6.458 7 HG2 MET 1 2HG MET 1 7.421 -11.996 -4.988 8 HG3 MET 1 3HG MET 1 7.508 -13.468 -4.022 9 HE1 MET 1 2HE MET 1 7.673 -15.816 -6.239 10 HE2 MET 1 3HE MET 1 9.432 -15.941 -6.238 11 HE3 MET 1 1HE MET 1 8.568 -15.643 -4.729 12 H GLN 2 HN GLN 2 2.430 -13.447 -3.903 13 HA GLN 2 HA GLN 2 1.442 -12.027 -6.289 14 HB2 GLN 2 2HB GLN 2 1.048 -14.665 -5.818 15 HB3 GLN 2 3HB GLN 2 -0.355 -13.991 -5.004 16 HG2 GLN 2 2HG GLN 2 -0.115 -12.713 -7.520 17 HG3 GLN 2 3HG GLN 2 0.049 -14.450 -7.773 18 HE21 GLN 2 1HE2 GLN 2 -1.902 -12.376 -5.647 19 HE22 GLN 2 2HE2 GLN 2 -3.416 -13.108 -6.042 20 H LEU 3 HN LEU 3 0.019 -10.426 -5.988 21 HA LEU 3 HA LEU 3 -1.079 -10.051 -3.278 22 HB2 LEU 3 2HB LEU 3 -0.770 -7.694 -3.439 23 HB3 LEU 3 3HB LEU 3 0.760 -8.459 -3.821 24 HG LEU 3 HG LEU 3 -1.043 -7.713 -6.075 25 HD11 LEU 3 1HD1 LEU 3 -0.954 -5.766 -4.488 26 HD12 LEU 3 2HD1 LEU 3 0.789 -5.725 -4.755 27 HD13 LEU 3 3HD1 LEU 3 -0.317 -5.456 -6.102 28 HD21 LEU 3 3HD2 LEU 3 0.850 -7.813 -7.328 29 HD22 LEU 3 1HD2 LEU 3 1.881 -7.233 -6.019 30 HD23 LEU 3 2HD2 LEU 3 1.332 -8.910 -6.034 31 H ASN 4 HN ASN 4 -3.156 -9.132 -3.125 32 HA ASN 4 HA ASN 4 -4.635 -8.755 -5.618 33 HB2 ASN 4 2HB ASN 4 -4.830 -11.166 -4.751 34 HB3 ASN 4 3HB ASN 4 -5.785 -10.484 -3.437 35 HD21 ASN 4 1HD2 ASN 4 -5.591 -9.963 -6.945 36 HD22 ASN 4 2HD2 ASN 4 -7.284 -10.144 -7.235 37 H ILE 5 HN ILE 5 -6.725 -7.728 -5.311 38 HA ILE 5 HA ILE 5 -6.977 -6.268 -2.770 39 HB ILE 5 HB ILE 5 -7.930 -4.402 -4.443 40 HG12 ILE 5 2HG1 ILE 5 -5.589 -5.552 -5.971 41 HG13 ILE 5 3HG1 ILE 5 -7.269 -5.831 -6.422 42 HG21 ILE 5 1HG2 ILE 5 -6.440 -3.494 -3.037 43 HG22 ILE 5 2HG2 ILE 5 -5.347 -4.875 -3.134 44 HG23 ILE 5 3HG2 ILE 5 -5.329 -3.647 -4.400 45 HD11 ILE 5 3HD1 ILE 5 -5.646 -3.745 -7.241 46 HD12 ILE 5 1HD1 ILE 5 -7.394 -3.873 -7.449 47 HD13 ILE 5 2HD1 ILE 5 -6.732 -3.021 -6.055 48 H THR 6 HN THR 6 -9.128 -5.530 -2.276 49 HA THR 6 HA THR 6 -11.256 -6.728 -3.897 50 HB THR 6 HB THR 6 -11.417 -6.818 -0.903 51 HG1 THR 6 1HG THR 6 -9.842 -8.189 -0.902 52 HG21 THR 6 3HG2 THR 6 -12.535 -8.714 -2.945 53 HG22 THR 6 1HG2 THR 6 -13.412 -7.319 -2.319 54 HG23 THR 6 2HG2 THR 6 -12.924 -8.616 -1.228 55 H GLY 7 HN GLY 7 -12.632 -5.177 -4.462 56 HA2 GLY 7 2HA GLY 7 -12.785 -2.765 -2.792 57 HA3 GLY 7 3HA GLY 7 -13.235 -2.864 -4.485 58 H ASN 8 HN ASN 8 -14.472 -2.416 -1.542 59 HA ASN 8 HA ASN 8 -16.926 -3.956 -2.002 60 HB2 ASN 8 2HB ASN 8 -17.499 -3.293 0.329 61 HB3 ASN 8 3HB ASN 8 -15.991 -4.196 0.226 62 HD21 ASN 8 1HD2 ASN 8 -14.081 -3.189 0.717 63 HD22 ASN 8 2HD2 ASN 8 -14.006 -1.626 1.445 64 H ASN 9 HN ASN 9 -18.374 -2.925 -3.219 65 HA ASN 9 HA ASN 9 -19.823 -1.335 -3.965 66 HB2 ASN 9 2HB ASN 9 -20.034 -1.041 -1.372 67 HB3 ASN 9 3HB ASN 9 -19.141 0.452 -1.654 68 HD21 ASN 9 1HD2 ASN 9 -21.710 0.403 -0.620 69 HD22 ASN 9 2HD2 ASN 9 -22.788 1.118 -1.766 70 H VAL 10 HN VAL 10 -17.182 -1.329 -4.910 71 HA VAL 10 HA VAL 10 -17.013 1.405 -5.859 72 HB VAL 10 HB VAL 10 -15.569 1.453 -3.883 73 HG11 VAL 10 1HG1 VAL 10 -14.979 -0.901 -3.797 74 HG12 VAL 10 2HG1 VAL 10 -14.040 -0.735 -5.280 75 HG13 VAL 10 3HG1 VAL 10 -13.530 0.103 -3.814 76 HG21 VAL 10 3HG2 VAL 10 -14.051 2.764 -4.902 77 HG22 VAL 10 1HG2 VAL 10 -13.531 1.484 -5.999 78 HG23 VAL 10 2HG2 VAL 10 -14.988 2.413 -6.354 79 H GLU 11 HN GLU 11 -16.401 1.496 -7.947 80 HA GLU 11 HA GLU 11 -16.037 -0.948 -9.384 81 HB2 GLU 11 2HB GLU 11 -17.014 1.504 -10.042 82 HB3 GLU 11 3HB GLU 11 -15.417 1.578 -10.773 83 HG2 GLU 11 2HG GLU 11 -17.159 -0.797 -11.245 84 HG3 GLU 11 3HG GLU 11 -17.435 0.696 -12.140 85 H ILE 12 HN ILE 12 -14.183 -2.015 -9.484 86 HA ILE 12 HA ILE 12 -11.668 -0.781 -8.869 87 HB ILE 12 HB ILE 12 -12.207 -3.544 -9.969 88 HG12 ILE 12 2HG1 ILE 12 -13.345 -3.043 -7.799 89 HG13 ILE 12 3HG1 ILE 12 -12.145 -4.326 -7.690 90 HG21 ILE 12 1HG2 ILE 12 -9.939 -3.768 -8.532 91 HG22 ILE 12 2HG2 ILE 12 -9.974 -3.461 -10.268 92 HG23 ILE 12 3HG2 ILE 12 -9.766 -2.121 -9.140 93 HD11 ILE 12 3HD1 ILE 12 -11.288 -3.238 -5.966 94 HD12 ILE 12 1HD1 ILE 12 -10.744 -2.002 -7.100 95 HD13 ILE 12 2HD1 ILE 12 -12.294 -1.824 -6.278 96 H THR 13 HN THR 13 -11.192 0.755 -10.407 97 HA THR 13 HA THR 13 -11.146 -0.022 -13.219 98 HB THR 13 HB THR 13 -10.306 2.459 -13.388 99 HG1 THR 13 1HG THR 13 -9.988 2.966 -11.287 100 HG21 THR 13 3HG2 THR 13 -12.338 2.517 -14.282 101 HG22 THR 13 1HG2 THR 13 -12.884 3.062 -12.696 102 HG23 THR 13 2HG2 THR 13 -12.978 1.353 -13.122 103 H GLU 14 HN GLU 14 -9.328 -0.330 -14.402 104 HA GLU 14 HA GLU 14 -7.035 -1.322 -13.419 105 HB2 GLU 14 2HB GLU 14 -7.910 -0.712 -15.911 106 HB3 GLU 14 3HB GLU 14 -6.582 0.429 -15.751 107 HG2 GLU 14 2HG GLU 14 -5.868 -2.242 -14.866 108 HG3 GLU 14 3HG GLU 14 -6.396 -2.197 -16.548 109 H ALA 15 HN ALA 15 -7.789 2.101 -13.655 110 HA ALA 15 HA ALA 15 -5.150 3.032 -13.137 111 HB1 ALA 15 1HB ALA 15 -6.653 5.109 -12.359 112 HB2 ALA 15 2HB ALA 15 -6.331 4.733 -14.052 113 HB3 ALA 15 3HB ALA 15 -7.848 4.228 -13.309 114 H LEU 16 HN LEU 16 -8.027 2.610 -11.086 115 HA LEU 16 HA LEU 16 -6.911 3.543 -8.698 116 HB2 LEU 16 2HB LEU 16 -9.363 2.776 -9.391 117 HB3 LEU 16 3HB LEU 16 -8.854 1.291 -8.610 118 HG LEU 16 HG LEU 16 -10.040 2.624 -7.008 119 HD11 LEU 16 1HD1 LEU 16 -8.590 2.379 -5.279 120 HD12 LEU 16 2HD1 LEU 16 -7.689 1.493 -6.510 121 HD13 LEU 16 3HD1 LEU 16 -7.261 3.163 -6.135 122 HD21 LEU 16 3HD2 LEU 16 -8.120 4.849 -6.959 123 HD22 LEU 16 1HD2 LEU 16 -9.166 4.787 -8.379 124 HD23 LEU 16 2HD2 LEU 16 -9.872 4.853 -6.765 125 H ARG 17 HN ARG 17 -7.429 0.132 -9.619 126 HA ARG 17 HA ARG 17 -6.010 -1.051 -7.574 127 HB2 ARG 17 2HB ARG 17 -5.648 -2.956 -9.189 128 HB3 ARG 17 3HB ARG 17 -7.316 -2.433 -8.998 129 HG2 ARG 17 2HG ARG 17 -6.604 -0.912 -11.090 130 HG3 ARG 17 3HG ARG 17 -5.542 -2.298 -11.347 131 HD2 ARG 17 2HD ARG 17 -7.999 -3.420 -10.702 132 HD3 ARG 17 3HD ARG 17 -8.404 -2.054 -11.741 133 HE ARG 17 HE ARG 17 -6.277 -3.697 -12.761 134 HH11 ARG 17 2HH1 ARG 17 -9.736 -3.266 -12.601 135 HH12 ARG 17 1HH1 ARG 17 -10.040 -4.154 -14.056 136 HH21 ARG 17 2HH2 ARG 17 -6.675 -4.865 -14.676 137 HH22 ARG 17 1HH2 ARG 17 -8.303 -5.061 -15.234 138 H GLU 18 HN GLU 18 -4.799 0.208 -10.647 139 HA GLU 18 HA GLU 18 -2.159 -0.719 -10.422 140 HB2 GLU 18 2HB GLU 18 -3.505 1.466 -11.947 141 HB3 GLU 18 3HB GLU 18 -1.748 1.461 -11.871 142 HG2 GLU 18 2HG GLU 18 -3.439 -0.835 -12.837 143 HG3 GLU 18 3HG GLU 18 -2.638 0.344 -13.874 144 H PHE 19 HN PHE 19 -3.688 2.285 -9.328 145 HA PHE 19 HA PHE 19 -1.442 3.655 -8.454 146 HB2 PHE 19 2HB PHE 19 -3.710 4.625 -8.551 147 HB3 PHE 19 3HB PHE 19 -4.184 3.635 -7.174 148 HD1 PHE 19 2HD PHE 19 -2.148 6.485 -8.270 149 HD2 PHE 19 1HD PHE 19 -3.529 4.212 -4.949 150 HE1 PHE 19 2HE PHE 19 -1.375 8.254 -6.743 151 HE2 PHE 19 1HE PHE 19 -2.762 5.977 -3.416 152 HZ PHE 19 HZ PHE 19 -1.682 8.000 -4.313 153 H VAL 20 HN VAL 20 -3.447 1.313 -6.686 154 HA VAL 20 HA VAL 20 -2.092 1.462 -4.233 155 HB VAL 20 HB VAL 20 -3.421 -1.003 -5.365 156 HG11 VAL 20 1HG1 VAL 20 -2.393 -0.211 -2.716 157 HG12 VAL 20 2HG1 VAL 20 -3.963 -1.017 -2.732 158 HG13 VAL 20 3HG1 VAL 20 -2.556 -1.811 -3.442 159 HG21 VAL 20 3HG2 VAL 20 -4.989 0.664 -3.550 160 HG22 VAL 20 1HG2 VAL 20 -4.624 1.446 -5.088 161 HG23 VAL 20 2HG2 VAL 20 -5.452 -0.112 -5.064 162 H THR 21 HN THR 21 -1.651 -0.761 -6.974 163 HA THR 21 HA THR 21 0.518 -2.176 -5.831 164 HB THR 21 HB THR 21 0.141 -1.872 -8.795 165 HG1 THR 21 1HG THR 21 -1.426 -3.537 -7.122 166 HG21 THR 21 3HG2 THR 21 1.519 -3.591 -8.874 167 HG22 THR 21 1HG2 THR 21 0.339 -4.555 -7.988 168 HG23 THR 21 2HG2 THR 21 1.584 -3.660 -7.114 169 H ALA 22 HN ALA 22 0.276 0.786 -7.658 170 HA ALA 22 HA ALA 22 2.916 1.046 -8.537 171 HB1 ALA 22 1HB ALA 22 0.816 2.493 -9.026 172 HB2 ALA 22 2HB ALA 22 1.348 3.424 -7.627 173 HB3 ALA 22 3HB ALA 22 2.408 3.250 -9.024 174 H LYS 23 HN LYS 23 1.400 2.063 -5.492 175 HA LYS 23 HA LYS 23 3.723 3.252 -4.394 176 HB2 LYS 23 2HB LYS 23 1.422 2.033 -2.860 177 HB3 LYS 23 3HB LYS 23 2.526 3.284 -2.307 178 HG2 LYS 23 2HG LYS 23 0.518 3.570 -4.532 179 HG3 LYS 23 3HG LYS 23 0.350 4.204 -2.895 180 HD2 LYS 23 2HD LYS 23 2.149 5.722 -3.205 181 HD3 LYS 23 3HD LYS 23 2.637 4.940 -4.708 182 HE2 LYS 23 2HE LYS 23 0.224 5.579 -5.481 183 HE3 LYS 23 3HE LYS 23 0.328 6.757 -4.174 184 HZ1 LYS 23 3HZ LYS 23 1.046 7.731 -6.245 185 HZ2 LYS 23 1HZ LYS 23 2.203 6.516 -6.465 186 HZ3 LYS 23 2HZ LYS 23 2.363 7.618 -5.191 187 H PHE 24 HN PHE 24 2.213 0.071 -3.861 188 HA PHE 24 HA PHE 24 4.045 -0.972 -2.067 189 HB2 PHE 24 2HB PHE 24 2.081 -2.084 -3.967 190 HB3 PHE 24 3HB PHE 24 3.380 -3.183 -3.519 191 HD1 PHE 24 2HD PHE 24 3.762 -3.688 -1.094 192 HD2 PHE 24 1HD PHE 24 0.316 -1.621 -2.493 193 HE1 PHE 24 2HE PHE 24 2.601 -4.202 1.015 194 HE2 PHE 24 1HE PHE 24 -0.850 -2.130 -0.388 195 HZ PHE 24 HZ PHE 24 0.292 -3.424 1.369 196 H ALA 25 HN ALA 25 4.135 -1.012 -5.615 197 HA ALA 25 HA ALA 25 6.390 -2.562 -6.015 198 HB1 ALA 25 1HB ALA 25 5.451 -2.079 -8.017 199 HB2 ALA 25 2HB ALA 25 5.014 -0.438 -7.541 200 HB3 ALA 25 3HB ALA 25 6.671 -0.805 -8.021 201 H LYS 26 HN LYS 26 6.251 0.991 -5.666 202 HA LYS 26 HA LYS 26 8.974 1.503 -5.785 203 HB2 LYS 26 2HB LYS 26 6.895 3.101 -5.628 204 HB3 LYS 26 3HB LYS 26 7.237 3.055 -3.903 205 HG2 LYS 26 2HG LYS 26 9.694 3.532 -5.170 206 HG3 LYS 26 3HG LYS 26 8.513 4.570 -5.970 207 HD2 LYS 26 2HD LYS 26 9.013 5.957 -4.249 208 HD3 LYS 26 3HD LYS 26 7.807 4.979 -3.412 209 HE2 LYS 26 2HE LYS 26 9.874 3.470 -2.848 210 HE3 LYS 26 3HE LYS 26 10.782 4.945 -3.179 211 HZ1 LYS 26 3HZ LYS 26 10.374 5.106 -0.935 212 HZ2 LYS 26 1HZ LYS 26 8.836 4.409 -1.038 213 HZ3 LYS 26 2HZ LYS 26 9.081 5.997 -1.564 214 H LEU 27 HN LEU 27 7.051 0.192 -3.199 215 HA LEU 27 HA LEU 27 9.095 0.567 -1.188 216 HB2 LEU 27 2HB LEU 27 6.394 -0.713 -1.269 217 HB3 LEU 27 3HB LEU 27 7.491 -1.115 0.039 218 HG LEU 27 HG LEU 27 7.653 1.494 0.308 219 HD11 LEU 27 1HD1 LEU 27 4.971 1.156 -1.026 220 HD12 LEU 27 2HD1 LEU 27 5.556 2.617 -0.231 221 HD13 LEU 27 3HD1 LEU 27 6.356 2.025 -1.687 222 HD21 LEU 27 3HD2 LEU 27 6.357 1.239 2.143 223 HD22 LEU 27 1HD2 LEU 27 5.043 0.480 1.245 224 HD23 LEU 27 2HD2 LEU 27 6.464 -0.463 1.698 225 H GLU 28 HN GLU 28 8.118 -1.854 -3.464 226 HA GLU 28 HA GLU 28 9.313 -4.121 -2.317 227 HB2 GLU 28 2HB GLU 28 7.755 -3.706 -4.475 228 HB3 GLU 28 3HB GLU 28 9.310 -3.907 -5.269 229 HG2 GLU 28 2HG GLU 28 9.513 -6.032 -3.821 230 HG3 GLU 28 3HG GLU 28 7.771 -5.861 -3.616 231 H GLN 29 HN GLN 29 10.761 -1.340 -3.631 232 HA GLN 29 HA GLN 29 13.099 -2.506 -4.741 233 HB2 GLN 29 2HB GLN 29 12.337 -0.211 -5.265 234 HB3 GLN 29 3HB GLN 29 12.709 0.274 -3.617 235 HG2 GLN 29 2HG GLN 29 15.024 -0.006 -3.947 236 HG3 GLN 29 3HG GLN 29 14.778 -0.877 -5.460 237 HE21 GLN 29 1HE2 GLN 29 15.929 1.872 -4.355 238 HE22 GLN 29 2HE2 GLN 29 15.495 2.960 -5.626 239 H TYR 30 HN TYR 30 12.561 -0.809 -1.650 240 HA TYR 30 HA TYR 30 15.077 -1.859 -0.640 241 HB2 TYR 30 2HB TYR 30 14.240 -0.532 1.478 242 HB3 TYR 30 3HB TYR 30 14.922 0.310 0.094 243 HD1 TYR 30 1HD TYR 30 11.630 -0.802 1.465 244 HD2 TYR 30 2HD TYR 30 13.753 2.077 -0.835 245 HE1 TYR 30 1HE TYR 30 9.590 0.561 1.300 246 HE2 TYR 30 2HE TYR 30 11.720 3.449 -1.008 247 HH TYR 30 HH TYR 30 9.367 3.481 0.770 248 H PHE 31 HN PHE 31 11.721 -2.607 -0.463 249 HA PHE 31 HA PHE 31 12.121 -4.291 1.900 250 HB2 PHE 31 2HB PHE 31 9.626 -3.497 0.392 251 HB3 PHE 31 3HB PHE 31 9.630 -4.670 1.702 252 HD1 PHE 31 1HD PHE 31 11.870 -2.983 3.221 253 HD2 PHE 31 2HD PHE 31 8.029 -2.123 1.605 254 HE1 PHE 31 1HE PHE 31 11.601 -1.161 4.847 255 HE2 PHE 31 2HE PHE 31 7.755 -0.295 3.226 256 HZ PHE 31 HZ PHE 31 9.541 0.188 4.852 257 H ASP 32 HN ASP 32 12.686 -6.335 1.638 258 HA ASP 32 HA ASP 32 12.091 -7.650 -0.922 259 HB2 ASP 32 2HB ASP 32 14.504 -7.398 0.064 260 HB3 ASP 32 3HB ASP 32 14.026 -8.750 1.087 261 H ARG 33 HN ARG 33 11.555 -7.797 2.502 262 HA ARG 33 HA ARG 33 10.635 -10.507 2.557 263 HB2 ARG 33 2HB ARG 33 9.987 -8.369 4.578 264 HB3 ARG 33 3HB ARG 33 10.056 -10.108 4.828 265 HG2 ARG 33 2HG ARG 33 12.442 -8.410 4.138 266 HG3 ARG 33 3HG ARG 33 11.978 -8.856 5.781 267 HD2 ARG 33 2HD ARG 33 12.428 -11.119 5.419 268 HD3 ARG 33 3HD ARG 33 12.386 -10.940 3.665 269 HE ARG 33 HE ARG 33 14.486 -9.403 4.793 270 HH11 ARG 33 2HH1 ARG 33 13.594 -12.680 3.983 271 HH12 ARG 33 1HH1 ARG 33 15.231 -13.207 3.776 272 HH21 ARG 33 2HH2 ARG 33 16.640 -10.097 4.523 273 HH22 ARG 33 1HH2 ARG 33 16.959 -11.741 4.084 274 H ILE 34 HN ILE 34 9.261 -9.934 0.544 275 HA ILE 34 HA ILE 34 6.529 -9.476 1.500 276 HB ILE 34 HB ILE 34 7.539 -8.257 -1.068 277 HG12 ILE 34 2HG1 ILE 34 6.906 -6.777 1.487 278 HG13 ILE 34 3HG1 ILE 34 8.541 -7.257 1.045 279 HG21 ILE 34 1HG2 ILE 34 5.025 -7.596 0.433 280 HG22 ILE 34 2HG2 ILE 34 5.439 -7.226 -1.241 281 HG23 ILE 34 3HG2 ILE 34 5.090 -8.888 -0.767 282 HD11 ILE 34 3HD1 ILE 34 8.650 -5.758 -0.698 283 HD12 ILE 34 1HD1 ILE 34 6.896 -5.656 -0.859 284 HD13 ILE 34 2HD1 ILE 34 7.705 -4.872 0.498 285 H ASN 35 HN ASN 35 5.384 -11.224 1.011 286 HA ASN 35 HA ASN 35 6.003 -12.650 -1.493 287 HB2 ASN 35 2HB ASN 35 4.947 -14.653 -0.221 288 HB3 ASN 35 3HB ASN 35 6.603 -14.185 0.157 289 HD21 ASN 35 1HD2 ASN 35 3.895 -15.214 1.527 290 HD22 ASN 35 2HD2 ASN 35 4.004 -14.455 3.075 291 H GLN 36 HN GLN 36 3.350 -12.264 0.871 292 HA GLN 36 HA GLN 36 1.502 -12.027 -1.410 293 HB2 GLN 36 2HB GLN 36 1.402 -14.250 -0.168 294 HB3 GLN 36 3HB GLN 36 0.773 -13.345 1.201 295 HG2 GLN 36 2HG GLN 36 -1.250 -13.624 0.356 296 HG3 GLN 36 3HG GLN 36 -0.785 -12.541 -0.955 297 HE21 GLN 36 1HE2 GLN 36 0.163 -15.862 -0.162 298 HE22 GLN 36 2HE2 GLN 36 -0.317 -16.545 -1.674 299 H VAL 37 HN VAL 37 0.612 -10.083 -1.443 300 HA VAL 37 HA VAL 37 0.026 -8.757 1.126 301 HB VAL 37 HB VAL 37 0.606 -7.276 -1.432 302 HG11 VAL 37 1HG1 VAL 37 -0.339 -6.517 1.120 303 HG12 VAL 37 2HG1 VAL 37 1.300 -5.890 0.962 304 HG13 VAL 37 3HG1 VAL 37 0.081 -5.480 -0.242 305 HG21 VAL 37 3HG2 VAL 37 2.534 -8.187 0.689 306 HG22 VAL 37 1HG2 VAL 37 2.623 -8.441 -1.054 307 HG23 VAL 37 2HG2 VAL 37 2.869 -6.829 -0.386 308 H TYR 38 HN TYR 38 -2.004 -8.021 1.425 309 HA TYR 38 HA TYR 38 -3.792 -7.918 -0.902 310 HB2 TYR 38 2HB TYR 38 -5.588 -8.732 0.844 311 HB3 TYR 38 3HB TYR 38 -4.590 -9.890 -0.024 312 HD1 TYR 38 1HD TYR 38 -2.331 -10.526 1.215 313 HD2 TYR 38 2HD TYR 38 -5.792 -8.954 3.130 314 HE1 TYR 38 1HE TYR 38 -1.576 -11.480 3.350 315 HE2 TYR 38 2HE TYR 38 -5.042 -9.902 5.272 316 HH TYR 38 HH TYR 38 -3.464 -11.952 5.927 317 H VAL 39 HN VAL 39 -5.123 -6.214 -0.992 318 HA VAL 39 HA VAL 39 -5.274 -4.451 1.366 319 HB VAL 39 HB VAL 39 -5.084 -3.441 -1.471 320 HG11 VAL 39 1HG1 VAL 39 -4.814 -1.291 -0.506 321 HG12 VAL 39 2HG1 VAL 39 -6.198 -2.033 0.295 322 HG13 VAL 39 3HG1 VAL 39 -4.637 -1.965 1.114 323 HG21 VAL 39 3HG2 VAL 39 -2.779 -2.917 -1.091 324 HG22 VAL 39 1HG2 VAL 39 -2.873 -3.477 0.578 325 HG23 VAL 39 2HG2 VAL 39 -3.010 -4.630 -0.748 326 H VAL 40 HN VAL 40 -7.185 -3.306 1.658 327 HA VAL 40 HA VAL 40 -9.347 -3.655 -0.260 328 HB VAL 40 HB VAL 40 -9.746 -4.444 2.631 329 HG11 VAL 40 1HG1 VAL 40 -11.607 -5.320 0.524 330 HG12 VAL 40 2HG1 VAL 40 -11.930 -4.732 2.154 331 HG13 VAL 40 3HG1 VAL 40 -11.592 -3.588 0.856 332 HG21 VAL 40 3HG2 VAL 40 -9.482 -6.259 0.235 333 HG22 VAL 40 1HG2 VAL 40 -8.267 -6.049 1.497 334 HG23 VAL 40 2HG2 VAL 40 -9.836 -6.753 1.891 335 H LEU 41 HN LEU 41 -10.546 -1.921 -0.414 336 HA LEU 41 HA LEU 41 -10.546 0.011 1.789 337 HB2 LEU 41 2HB LEU 41 -10.601 1.729 -0.210 338 HB3 LEU 41 3HB LEU 41 -9.093 1.132 0.453 339 HG LEU 41 HG LEU 41 -9.103 1.194 -2.010 340 HD11 LEU 41 1HD1 LEU 41 -8.972 -1.681 -1.599 341 HD12 LEU 41 2HD1 LEU 41 -7.720 -0.542 -2.094 342 HD13 LEU 41 3HD1 LEU 41 -8.102 -0.744 -0.384 343 HD21 LEU 41 3HD2 LEU 41 -11.013 -1.102 -2.017 344 HD22 LEU 41 1HD2 LEU 41 -11.599 0.558 -2.090 345 HD23 LEU 41 2HD2 LEU 41 -10.524 -0.054 -3.345 346 H LYS 42 HN LYS 42 -12.446 0.871 2.296 347 HA LYS 42 HA LYS 42 -14.751 0.158 0.626 348 HB2 LYS 42 2HB LYS 42 -15.177 -0.694 2.745 349 HB3 LYS 42 3HB LYS 42 -14.390 0.653 3.558 350 HG2 LYS 42 2HG LYS 42 -16.275 2.099 3.009 351 HG3 LYS 42 3HG LYS 42 -17.055 0.765 2.157 352 HD2 LYS 42 2HD LYS 42 -17.978 1.041 4.405 353 HD3 LYS 42 3HD LYS 42 -17.158 -0.512 4.239 354 HE2 LYS 42 2HE LYS 42 -15.202 0.370 5.372 355 HE3 LYS 42 3HE LYS 42 -15.951 1.963 5.472 356 HZ1 LYS 42 3HZ LYS 42 -16.652 -0.501 6.932 357 HZ2 LYS 42 1HZ LYS 42 -17.794 0.732 6.734 358 HZ3 LYS 42 2HZ LYS 42 -16.343 1.045 7.544 359 H VAL 43 HN VAL 43 -16.092 1.676 -0.202 360 HA VAL 43 HA VAL 43 -15.343 4.492 0.256 361 HB VAL 43 HB VAL 43 -16.629 3.372 -2.235 362 HG11 VAL 43 1HG1 VAL 43 -17.114 5.578 -2.402 363 HG12 VAL 43 2HG1 VAL 43 -15.807 6.060 -1.320 364 HG13 VAL 43 3HG1 VAL 43 -15.456 5.656 -3.000 365 HG21 VAL 43 3HG2 VAL 43 -13.742 3.825 -1.550 366 HG22 VAL 43 1HG2 VAL 43 -14.503 2.389 -2.234 367 HG23 VAL 43 2HG2 VAL 43 -14.314 3.840 -3.219 368 H GLU 44 HN GLU 44 -16.810 5.588 1.360 369 HA GLU 44 HA GLU 44 -19.648 5.123 0.804 370 HB2 GLU 44 2HB GLU 44 -20.022 5.508 3.325 371 HB3 GLU 44 3HB GLU 44 -19.473 3.923 2.801 372 HG2 GLU 44 2HG GLU 44 -17.172 4.548 3.394 373 HG3 GLU 44 3HG GLU 44 -17.767 6.103 3.975 374 H LYS 45 HN LYS 45 -21.007 6.923 1.231 375 HA LYS 45 HA LYS 45 -20.023 9.380 0.444 376 HB2 LYS 45 2HB LYS 45 -22.425 8.630 0.457 377 HB3 LYS 45 3HB LYS 45 -22.461 8.986 2.178 378 HG2 LYS 45 2HG LYS 45 -21.440 11.215 0.637 379 HG3 LYS 45 3HG LYS 45 -23.051 10.726 0.111 380 HD2 LYS 45 2HD LYS 45 -23.968 11.070 2.253 381 HD3 LYS 45 3HD LYS 45 -22.375 11.144 3.010 382 HE2 LYS 45 2HE LYS 45 -22.133 13.179 1.289 383 HE3 LYS 45 3HE LYS 45 -23.879 13.219 1.531 384 HZ1 LYS 45 3HZ LYS 45 -23.375 13.221 3.978 385 HZ2 LYS 45 1HZ LYS 45 -22.946 14.630 3.146 386 HZ3 LYS 45 2HZ LYS 45 -21.757 13.506 3.578 387 H VAL 46 HN VAL 46 -19.860 7.948 3.579 388 HA VAL 46 HA VAL 46 -19.519 10.474 4.946 389 HB VAL 46 HB VAL 46 -19.168 7.668 5.997 390 HG11 VAL 46 1HG1 VAL 46 -17.967 9.436 7.269 391 HG12 VAL 46 2HG1 VAL 46 -19.513 10.242 7.526 392 HG13 VAL 46 3HG1 VAL 46 -19.235 8.634 8.194 393 HG21 VAL 46 3HG2 VAL 46 -21.478 9.313 6.799 394 HG22 VAL 46 1HG2 VAL 46 -21.491 8.715 5.141 395 HG23 VAL 46 2HG2 VAL 46 -21.370 7.582 6.486 396 H THR 47 HN THR 47 -17.419 7.657 5.409 397 HA THR 47 HA THR 47 -15.113 9.333 4.676 398 HB THR 47 HB THR 47 -14.975 7.391 6.963 399 HG1 THR 47 1HG THR 47 -15.446 9.125 8.344 400 HG21 THR 47 3HG2 THR 47 -13.431 9.884 6.295 401 HG22 THR 47 1HG2 THR 47 -12.853 8.222 6.193 402 HG23 THR 47 2HG2 THR 47 -13.234 8.929 7.764 403 H HIS 48 HN HIS 48 -13.216 8.198 4.010 404 HA HIS 48 HA HIS 48 -13.837 5.597 2.807 405 HB2 HIS 48 2HB HIS 48 -11.613 7.567 2.234 406 HB3 HIS 48 3HB HIS 48 -11.816 6.023 1.413 407 HD1 HIS 48 1HD HIS 48 -12.407 6.795 -0.894 408 HD2 HIS 48 2HD HIS 48 -14.719 8.623 2.036 409 HE1 HIS 48 1HE HIS 48 -14.176 8.079 -2.138 410 HE2 HIS 48 2HE HIS 48 -15.508 9.248 -0.347 411 H THR 49 HN THR 49 -12.762 3.759 3.358 412 HA THR 49 HA THR 49 -10.500 4.020 5.225 413 HB THR 49 HB THR 49 -12.765 2.033 5.470 414 HG1 THR 49 1HG THR 49 -13.270 4.208 6.104 415 HG21 THR 49 3HG2 THR 49 -10.213 1.707 6.392 416 HG22 THR 49 1HG2 THR 49 -11.657 0.946 7.058 417 HG23 THR 49 2HG2 THR 49 -11.035 2.435 7.771 418 H SER 50 HN SER 50 -8.848 2.614 4.982 419 HA SER 50 HA SER 50 -9.129 0.407 3.075 420 HB2 SER 50 2HB SER 50 -8.243 2.289 1.773 421 HB3 SER 50 3HB SER 50 -6.930 2.486 2.933 422 HG SER 50 HG SER 50 -6.172 0.438 2.346 423 H ASP 51 HN ASP 51 -7.706 -1.312 3.379 424 HA ASP 51 HA ASP 51 -6.023 -1.170 5.790 425 HB2 ASP 51 2HB ASP 51 -6.719 -3.391 6.434 426 HB3 ASP 51 3HB ASP 51 -8.160 -2.407 6.197 427 H ALA 52 HN ALA 52 -4.111 -2.398 5.760 428 HA ALA 52 HA ALA 52 -3.473 -3.817 3.285 429 HB1 ALA 52 1HB ALA 52 -1.129 -2.471 3.717 430 HB2 ALA 52 2HB ALA 52 -2.349 -2.045 2.516 431 HB3 ALA 52 3HB ALA 52 -2.344 -1.248 4.090 432 H THR 53 HN THR 53 -2.968 -5.762 3.972 433 HA THR 53 HA THR 53 -1.325 -6.059 6.397 434 HB THR 53 HB THR 53 -3.051 -8.130 5.030 435 HG1 THR 53 1HG THR 53 -4.272 -6.458 6.003 436 HG21 THR 53 3HG2 THR 53 -1.380 -8.189 7.494 437 HG22 THR 53 1HG2 THR 53 -1.582 -9.411 6.238 438 HG23 THR 53 2HG2 THR 53 -2.867 -9.136 7.415 439 H LEU 54 HN LEU 54 0.766 -6.288 5.945 440 HA LEU 54 HA LEU 54 1.554 -7.652 3.474 441 HB2 LEU 54 2HB LEU 54 2.967 -5.765 5.332 442 HB3 LEU 54 3HB LEU 54 3.860 -6.735 4.174 443 HG LEU 54 HG LEU 54 2.727 -5.677 2.324 444 HD11 LEU 54 1HD1 LEU 54 0.565 -5.208 2.855 445 HD12 LEU 54 2HD1 LEU 54 0.968 -4.637 4.474 446 HD13 LEU 54 3HD1 LEU 54 1.264 -3.604 3.076 447 HD21 LEU 54 3HD2 LEU 54 4.100 -4.056 4.374 448 HD22 LEU 54 1HD2 LEU 54 4.515 -4.342 2.683 449 HD23 LEU 54 2HD2 LEU 54 3.264 -3.169 3.099 450 H HIS 55 HN HIS 55 2.970 -9.367 3.442 451 HA HIS 55 HA HIS 55 3.147 -10.864 5.959 452 HB2 HIS 55 2HB HIS 55 3.132 -11.633 3.070 453 HB3 HIS 55 3HB HIS 55 3.926 -12.698 4.223 454 HD1 HIS 55 1HD HIS 55 2.435 -14.459 5.085 455 HD2 HIS 55 2HD HIS 55 0.330 -11.019 4.085 456 HE1 HIS 55 1HE HIS 55 0.019 -14.994 5.536 457 HE2 HIS 55 2HE HIS 55 -1.226 -12.872 5.000 458 H VAL 56 HN VAL 56 5.043 -11.400 6.890 459 HA VAL 56 HA VAL 56 7.531 -10.783 5.451 460 HB VAL 56 HB VAL 56 7.149 -10.132 8.371 461 HG11 VAL 56 1HG1 VAL 56 9.220 -9.144 6.419 462 HG12 VAL 56 2HG1 VAL 56 9.200 -8.932 8.169 463 HG13 VAL 56 3HG1 VAL 56 9.454 -10.534 7.478 464 HG21 VAL 56 3HG2 VAL 56 6.990 -7.766 7.680 465 HG22 VAL 56 1HG2 VAL 56 6.900 -8.286 5.998 466 HG23 VAL 56 2HG2 VAL 56 5.620 -8.729 7.126 467 H ASN 57 HN ASN 57 9.360 -11.993 6.097 468 HA ASN 57 HA ASN 57 8.818 -14.661 6.832 469 HB2 ASN 57 2HB ASN 57 11.464 -13.192 6.778 470 HB3 ASN 57 3HB ASN 57 11.269 -14.941 6.859 471 HD21 ASN 57 1HD2 ASN 57 12.155 -15.511 4.960 472 HD22 ASN 57 2HD2 ASN 57 11.555 -15.022 3.414 473 H GLY 58 HN GLY 58 8.023 -15.088 8.812 474 HA2 GLY 58 2HA GLY 58 8.637 -15.674 11.065 475 HA3 GLY 58 3HA GLY 58 9.667 -14.253 11.108 476 H GLY 59 HN GLY 59 7.326 -12.771 9.745 477 HA2 GLY 59 2HA GLY 59 5.323 -12.727 11.835 478 HA3 GLY 59 3HA GLY 59 6.363 -11.312 11.800 479 H GLU 60 HN GLU 60 3.714 -10.938 11.480 480 HA GLU 60 HA GLU 60 3.562 -10.065 8.690 481 HB2 GLU 60 2HB GLU 60 1.383 -11.578 10.140 482 HB3 GLU 60 3HB GLU 60 1.169 -10.761 8.598 483 HG2 GLU 60 2HG GLU 60 2.366 -12.320 7.441 484 HG3 GLU 60 3HG GLU 60 3.351 -12.760 8.835 485 H ILE 61 HN ILE 61 2.868 -8.019 8.496 486 HA ILE 61 HA ILE 61 1.866 -6.694 10.918 487 HB ILE 61 HB ILE 61 2.884 -5.358 8.414 488 HG12 ILE 61 2HG1 ILE 61 4.844 -5.000 10.288 489 HG13 ILE 61 3HG1 ILE 61 4.331 -6.649 10.630 490 HG21 ILE 61 1HG2 ILE 61 1.448 -4.287 10.429 491 HG22 ILE 61 2HG2 ILE 61 3.083 -4.065 11.051 492 HG23 ILE 61 3HG2 ILE 61 2.636 -3.391 9.484 493 HD11 ILE 61 3HD1 ILE 61 5.163 -5.653 7.917 494 HD12 ILE 61 1HD1 ILE 61 6.221 -6.496 9.049 495 HD13 ILE 61 2HD1 ILE 61 4.811 -7.319 8.379 496 H HIS 62 HN HIS 62 -0.043 -5.591 10.966 497 HA HIS 62 HA HIS 62 -1.645 -5.506 8.508 498 HB2 HIS 62 2HB HIS 62 -2.344 -7.456 9.883 499 HB3 HIS 62 3HB HIS 62 -2.697 -6.361 11.214 500 HD1 HIS 62 1HD HIS 62 -5.043 -7.896 10.473 501 HD2 HIS 62 2HD HIS 62 -4.005 -4.472 8.360 502 HE1 HIS 62 1HE HIS 62 -7.156 -7.141 9.338 503 HE2 HIS 62 2HE HIS 62 -6.524 -5.018 8.135 504 H ALA 63 HN ALA 63 -1.989 -3.409 8.123 505 HA ALA 63 HA ALA 63 -2.740 -1.692 10.398 506 HB1 ALA 63 1HB ALA 63 -0.646 -1.287 8.356 507 HB2 ALA 63 2HB ALA 63 -1.626 0.119 8.768 508 HB3 ALA 63 3HB ALA 63 -0.729 -0.729 10.026 509 H SER 64 HN SER 64 -4.161 0.068 9.911 510 HA SER 64 HA SER 64 -5.448 0.046 7.295 511 HB2 SER 64 2HB SER 64 -7.696 -0.011 8.315 512 HB3 SER 64 3HB SER 64 -6.801 -1.489 8.662 513 HG SER 64 HG SER 64 -7.800 -0.711 10.536 514 H ALA 65 HN ALA 65 -5.719 2.101 6.612 515 HA ALA 65 HA ALA 65 -5.935 4.208 8.656 516 HB1 ALA 65 1HB ALA 65 -4.268 5.496 7.763 517 HB2 ALA 65 2HB ALA 65 -3.625 3.879 7.471 518 HB3 ALA 65 3HB ALA 65 -4.407 4.766 6.164 519 H GLU 66 HN GLU 66 -6.592 6.332 7.678 520 HA GLU 66 HA GLU 66 -8.336 6.079 5.345 521 HB2 GLU 66 2HB GLU 66 -9.258 7.096 8.042 522 HB3 GLU 66 3HB GLU 66 -10.183 7.220 6.553 523 HG2 GLU 66 2HG GLU 66 -10.974 5.167 6.787 524 HG3 GLU 66 3HG GLU 66 -9.357 4.503 7.006 525 H GLY 67 HN GLY 67 -9.105 8.248 4.589 526 HA2 GLY 67 2HA GLY 67 -7.517 10.499 5.564 527 HA3 GLY 67 3HA GLY 67 -7.236 9.992 3.908 528 H GLN 68 HN GLN 68 -9.306 9.812 2.570 529 HA GLN 68 HA GLN 68 -11.614 11.254 3.225 530 HB2 GLN 68 2HB GLN 68 -10.113 13.188 3.301 531 HB3 GLN 68 3HB GLN 68 -9.586 12.854 1.658 532 HG2 GLN 68 2HG GLN 68 -11.977 13.165 0.946 533 HG3 GLN 68 3HG GLN 68 -12.298 13.759 2.574 534 HE21 GLN 68 1HE2 GLN 68 -12.745 15.843 2.115 535 HE22 GLN 68 2HE2 GLN 68 -11.618 16.949 1.411 536 H ASP 69 HN ASP 69 -9.505 9.843 0.860 537 HA ASP 69 HA ASP 69 -11.814 9.258 -0.803 538 HB2 ASP 69 2HB ASP 69 -10.366 9.804 -2.861 539 HB3 ASP 69 3HB ASP 69 -11.091 11.152 -1.993 540 H MET 70 HN MET 70 -10.986 7.782 -2.712 541 HA MET 70 HA MET 70 -9.983 5.437 -1.536 542 HB2 MET 70 2HB MET 70 -11.439 5.529 -3.557 543 HB3 MET 70 3HB MET 70 -10.063 6.120 -4.480 544 HG2 MET 70 2HG MET 70 -9.773 3.963 -4.979 545 HG3 MET 70 3HG MET 70 -9.009 3.884 -3.392 546 HE1 MET 70 3HE MET 70 -10.291 1.363 -5.011 547 HE2 MET 70 1HE MET 70 -11.994 1.050 -4.678 548 HE3 MET 70 2HE MET 70 -11.530 2.415 -5.695 549 H TYR 71 HN TYR 71 -8.363 8.152 -2.912 550 HA TYR 71 HA TYR 71 -5.875 6.690 -3.301 551 HB2 TYR 71 2HB TYR 71 -6.694 9.546 -3.816 552 HB3 TYR 71 3HB TYR 71 -5.028 9.000 -3.972 553 HD1 TYR 71 1HD TYR 71 -5.306 6.386 -5.231 554 HD2 TYR 71 2HD TYR 71 -7.449 9.987 -5.964 555 HE1 TYR 71 1HE TYR 71 -5.764 5.640 -7.528 556 HE2 TYR 71 2HE TYR 71 -7.914 9.250 -8.263 557 HH TYR 71 HH TYR 71 -8.049 7.132 -9.528 558 H ALA 72 HN ALA 72 -7.270 9.112 -1.159 559 HA ALA 72 HA ALA 72 -4.926 9.774 0.250 560 HB1 ALA 72 1HB ALA 72 -7.313 10.860 0.232 561 HB2 ALA 72 2HB ALA 72 -7.570 9.805 1.621 562 HB3 ALA 72 3HB ALA 72 -6.270 10.996 1.648 563 H ALA 73 HN ALA 73 -7.488 7.414 0.983 564 HA ALA 73 HA ALA 73 -6.570 6.484 3.415 565 HB1 ALA 73 1HB ALA 73 -7.851 4.808 1.260 566 HB2 ALA 73 2HB ALA 73 -7.828 4.468 2.991 567 HB3 ALA 73 3HB ALA 73 -8.723 5.858 2.377 568 H ILE 74 HN ILE 74 -5.401 5.769 0.196 569 HA ILE 74 HA ILE 74 -3.724 3.585 1.037 570 HB ILE 74 HB ILE 74 -3.542 5.135 -1.544 571 HG12 ILE 74 2HG1 ILE 74 -5.842 4.305 -1.169 572 HG13 ILE 74 3HG1 ILE 74 -5.053 3.487 -2.513 573 HG21 ILE 74 1HG2 ILE 74 -2.640 2.381 -0.724 574 HG22 ILE 74 2HG2 ILE 74 -2.644 2.967 -2.388 575 HG23 ILE 74 3HG2 ILE 74 -1.627 3.750 -1.179 576 HD11 ILE 74 3HD1 ILE 74 -6.274 1.888 -1.217 577 HD12 ILE 74 1HD1 ILE 74 -4.548 1.597 -1.000 578 HD13 ILE 74 2HD1 ILE 74 -5.471 2.411 0.263 579 H ASP 75 HN ASP 75 -3.387 7.030 0.579 580 HA ASP 75 HA ASP 75 -0.560 7.136 0.534 581 HB2 ASP 75 2HB ASP 75 -2.719 8.990 0.446 582 HB3 ASP 75 3HB ASP 75 -1.615 9.515 1.712 583 H GLY 76 HN GLY 76 -2.844 7.861 3.184 584 HA2 GLY 76 2HA GLY 76 -0.822 8.094 5.160 585 HA3 GLY 76 3HA GLY 76 -2.541 7.894 5.462 586 H LEU 77 HN LEU 77 -2.845 5.402 4.112 587 HA LEU 77 HA LEU 77 -2.118 3.640 6.207 588 HB2 LEU 77 2HB LEU 77 -4.115 3.226 4.942 589 HB3 LEU 77 3HB LEU 77 -3.212 3.147 3.442 590 HG LEU 77 HG LEU 77 -2.231 1.048 4.048 591 HD11 LEU 77 1HD1 LEU 77 -1.981 1.626 6.476 592 HD12 LEU 77 2HD1 LEU 77 -3.677 1.191 6.683 593 HD13 LEU 77 3HD1 LEU 77 -2.514 -0.023 6.149 594 HD21 LEU 77 3HD2 LEU 77 -5.145 1.413 4.156 595 HD22 LEU 77 1HD2 LEU 77 -4.166 0.362 3.134 596 HD23 LEU 77 2HD2 LEU 77 -4.557 -0.127 4.782 597 H ILE 78 HN ILE 78 -0.938 4.027 2.887 598 HA ILE 78 HA ILE 78 1.034 1.971 3.115 599 HB ILE 78 HB ILE 78 0.749 4.216 1.114 600 HG12 ILE 78 2HG1 ILE 78 -1.049 2.510 1.121 601 HG13 ILE 78 3HG1 ILE 78 -0.104 2.480 -0.366 602 HG21 ILE 78 1HG2 ILE 78 2.712 1.947 1.248 603 HG22 ILE 78 2HG2 ILE 78 2.302 2.746 -0.270 604 HG23 ILE 78 3HG2 ILE 78 3.034 3.669 1.044 605 HD11 ILE 78 3HD1 ILE 78 0.427 0.358 -0.050 606 HD12 ILE 78 1HD1 ILE 78 1.010 0.685 1.582 607 HD13 ILE 78 2HD1 ILE 78 -0.698 0.340 1.307 608 H ASP 79 HN ASP 79 0.876 5.172 4.250 609 HA ASP 79 HA ASP 79 3.685 5.748 4.142 610 HB2 ASP 79 2HB ASP 79 1.256 7.069 5.158 611 HB3 ASP 79 3HB ASP 79 2.705 7.385 6.109 612 H LYS 80 HN LYS 80 1.424 4.868 6.744 613 HA LYS 80 HA LYS 80 3.354 4.602 8.766 614 HB2 LYS 80 2HB LYS 80 0.711 3.151 8.525 615 HB3 LYS 80 3HB LYS 80 1.645 3.367 9.999 616 HG2 LYS 80 2HG LYS 80 1.034 5.549 10.235 617 HG3 LYS 80 3HG LYS 80 0.831 5.796 8.500 618 HD2 LYS 80 2HD LYS 80 -1.152 4.122 8.784 619 HD3 LYS 80 3HD LYS 80 -1.056 4.594 10.481 620 HE2 LYS 80 2HE LYS 80 -0.985 6.849 8.621 621 HE3 LYS 80 3HE LYS 80 -2.473 5.908 8.540 622 HZ1 LYS 80 3HZ LYS 80 -1.452 7.583 10.683 623 HZ2 LYS 80 1HZ LYS 80 -2.194 6.141 11.167 624 HZ3 LYS 80 2HZ LYS 80 -3.048 7.259 10.228 625 H LEU 81 HN LEU 81 2.092 2.301 6.403 626 HA LEU 81 HA LEU 81 3.241 -0.020 7.468 627 HB2 LEU 81 2HB LEU 81 2.271 0.782 4.774 628 HB3 LEU 81 3HB LEU 81 3.239 -0.676 4.908 629 HG LEU 81 HG LEU 81 1.285 -0.825 6.940 630 HD11 LEU 81 1HD1 LEU 81 0.317 0.508 4.519 631 HD12 LEU 81 2HD1 LEU 81 -0.629 -0.886 5.036 632 HD13 LEU 81 3HD1 LEU 81 -0.363 0.456 6.146 633 HD21 LEU 81 3HD2 LEU 81 0.444 -2.568 5.045 634 HD22 LEU 81 1HD2 LEU 81 2.109 -2.289 4.531 635 HD23 LEU 81 2HD2 LEU 81 1.775 -2.875 6.162 636 H ALA 82 HN ALA 82 4.520 2.302 5.100 637 HA ALA 82 HA ALA 82 6.899 0.962 4.512 638 HB1 ALA 82 1HB ALA 82 5.969 2.948 3.303 639 HB2 ALA 82 2HB ALA 82 6.577 3.954 4.619 640 HB3 ALA 82 3HB ALA 82 7.701 3.024 3.629 641 H ARG 83 HN ARG 83 6.541 3.749 6.711 642 HA ARG 83 HA ARG 83 9.058 3.702 7.831 643 HB2 ARG 83 2HB ARG 83 6.422 4.506 9.059 644 HB3 ARG 83 3HB ARG 83 7.975 4.800 9.828 645 HG2 ARG 83 2HG ARG 83 8.412 5.863 7.376 646 HG3 ARG 83 3HG ARG 83 6.687 6.176 7.580 647 HD2 ARG 83 2HD ARG 83 7.389 7.029 9.933 648 HD3 ARG 83 3HD ARG 83 8.997 7.142 9.218 649 HE ARG 83 HE ARG 83 7.338 8.428 7.455 650 HH11 ARG 83 2HH1 ARG 83 8.132 8.777 10.836 651 HH12 ARG 83 1HH1 ARG 83 7.859 10.487 10.851 652 HH21 ARG 83 2HH2 ARG 83 6.980 10.677 7.474 653 HH22 ARG 83 1HH2 ARG 83 7.205 11.567 8.943 654 H GLN 84 HN GLN 84 6.281 1.707 8.646 655 HA GLN 84 HA GLN 84 7.429 0.645 11.045 656 HB2 GLN 84 2HB GLN 84 4.997 0.138 9.417 657 HB3 GLN 84 3HB GLN 84 5.555 -1.176 10.445 658 HG2 GLN 84 2HG GLN 84 5.291 1.539 11.624 659 HG3 GLN 84 3HG GLN 84 3.832 0.601 11.310 660 HE21 GLN 84 1HE2 GLN 84 4.410 -1.885 11.939 661 HE22 GLN 84 2HE2 GLN 84 4.913 -2.038 13.584 662 H LEU 85 HN LEU 85 7.085 -0.504 7.720 663 HA LEU 85 HA LEU 85 8.172 -3.057 8.072 664 HB2 LEU 85 2HB LEU 85 7.852 -1.220 5.747 665 HB3 LEU 85 3HB LEU 85 8.872 -2.631 5.558 666 HG LEU 85 HG LEU 85 6.265 -2.633 4.968 667 HD11 LEU 85 1HD1 LEU 85 7.572 -4.465 4.368 668 HD12 LEU 85 2HD1 LEU 85 7.998 -4.831 6.040 669 HD13 LEU 85 3HD1 LEU 85 6.363 -5.143 5.458 670 HD21 LEU 85 3HD2 LEU 85 5.818 -2.165 7.469 671 HD22 LEU 85 1HD2 LEU 85 4.863 -3.401 6.653 672 HD23 LEU 85 2HD2 LEU 85 6.204 -3.871 7.695 673 H THR 86 HN THR 86 9.731 0.029 7.331 674 HA THR 86 HA THR 86 12.335 -1.029 6.984 675 HB THR 86 HB THR 86 12.663 1.596 7.861 676 HG1 THR 86 1HG THR 86 10.356 1.528 6.234 677 HG21 THR 86 3HG2 THR 86 13.635 0.561 5.828 678 HG22 THR 86 1HG2 THR 86 12.986 2.181 5.574 679 HG23 THR 86 2HG2 THR 86 12.075 0.770 5.033 680 H LYS 87 HN LYS 87 10.605 0.276 9.772 681 HA LYS 87 HA LYS 87 12.675 0.459 11.599 682 HB2 LYS 87 2HB LYS 87 9.755 0.189 11.729 683 HB3 LYS 87 3HB LYS 87 10.590 -0.413 13.155 684 HG2 LYS 87 2HG LYS 87 11.302 1.649 13.783 685 HG3 LYS 87 3HG LYS 87 11.401 2.243 12.123 686 HD2 LYS 87 2HD LYS 87 8.914 2.273 12.053 687 HD3 LYS 87 3HD LYS 87 8.902 1.835 13.763 688 HE2 LYS 87 2HE LYS 87 10.583 4.145 13.072 689 HE3 LYS 87 3HE LYS 87 8.852 4.379 12.827 690 HZ1 LYS 87 3HZ LYS 87 9.705 4.996 15.077 691 HZ2 LYS 87 1HZ LYS 87 10.009 3.356 15.360 692 HZ3 LYS 87 2HZ LYS 87 8.427 3.891 15.088 693 H HIS 88 HN HIS 88 10.404 -2.294 11.412 694 HA HIS 88 HA HIS 88 11.952 -3.974 13.049 695 HB2 HIS 88 2HB HIS 88 10.392 -5.649 12.595 696 HB3 HIS 88 3HB HIS 88 9.464 -4.176 12.354 697 HD1 HIS 88 1HD HIS 88 8.159 -4.114 10.254 698 HD2 HIS 88 2HD HIS 88 11.403 -6.694 9.979 699 HE1 HIS 88 1HE HIS 88 7.964 -5.200 7.994 700 HE2 HIS 88 2HE HIS 88 9.986 -6.692 7.816 701 H LYS 89 HN LYS 89 12.055 -3.331 9.623 702 HA LYS 89 HA LYS 89 13.603 -5.598 8.891 703 HB2 LYS 89 2HB LYS 89 12.859 -3.018 7.596 704 HB3 LYS 89 3HB LYS 89 14.202 -3.930 6.918 705 HG2 LYS 89 2HG LYS 89 12.702 -5.899 6.741 706 HG3 LYS 89 3HG LYS 89 11.367 -4.875 7.270 707 HD2 LYS 89 2HD LYS 89 11.270 -3.749 5.295 708 HD3 LYS 89 3HD LYS 89 13.003 -3.901 4.997 709 HE2 LYS 89 2HE LYS 89 12.428 -5.447 3.486 710 HE3 LYS 89 3HE LYS 89 12.156 -6.502 4.873 711 HZ1 LYS 89 3HZ LYS 89 10.274 -6.430 3.303 712 HZ2 LYS 89 1HZ LYS 89 10.068 -4.785 3.646 713 HZ3 LYS 89 2HZ LYS 89 9.846 -5.938 4.864 714 H ASP 90 HN ASP 90 14.382 -2.692 10.516 715 HA ASP 90 HA ASP 90 17.122 -2.538 9.696 716 HB2 ASP 90 2HB ASP 90 15.431 -0.795 10.921 717 HB3 ASP 90 3HB ASP 90 16.372 -1.356 12.298 718 H LYS 91 HN LYS 91 15.343 -4.093 12.273 719 HA LYS 91 HA LYS 91 17.490 -4.730 13.969 720 HB2 LYS 91 2HB LYS 91 14.986 -6.363 13.528 721 HB3 LYS 91 3HB LYS 91 16.025 -6.389 14.949 722 HG2 LYS 91 2HG LYS 91 15.343 -4.230 15.607 723 HG3 LYS 91 3HG LYS 91 14.567 -3.924 14.052 724 HD2 LYS 91 2HD LYS 91 12.681 -4.537 15.104 725 HD3 LYS 91 3HD LYS 91 13.280 -6.182 14.880 726 HE2 LYS 91 2HE LYS 91 14.568 -5.495 17.150 727 HE3 LYS 91 3HE LYS 91 13.097 -4.541 17.322 728 HZ1 LYS 91 3HZ LYS 91 11.835 -6.369 17.593 729 HZ2 LYS 91 1HZ LYS 91 13.292 -7.071 18.090 730 HZ3 LYS 91 2HZ LYS 91 12.735 -7.307 16.512 731 H LEU 92 HN LEU 92 16.313 -6.191 11.028 732 HA LEU 92 HA LEU 92 18.050 -8.500 11.351 733 HB2 LEU 92 2HB LEU 92 16.347 -7.845 8.959 734 HB3 LEU 92 3HB LEU 92 16.985 -9.409 9.430 735 HG LEU 92 HG LEU 92 15.276 -8.301 11.497 736 HD11 LEU 92 1HD1 LEU 92 13.220 -8.918 9.931 737 HD12 LEU 92 2HD1 LEU 92 13.840 -7.273 10.073 738 HD13 LEU 92 3HD1 LEU 92 14.305 -8.274 8.700 739 HD21 LEU 92 3HD2 LEU 92 15.671 -10.830 10.011 740 HD22 LEU 92 1HD2 LEU 92 15.556 -10.538 11.746 741 HD23 LEU 92 2HD2 LEU 92 14.095 -10.572 10.759 742 H LYS 93 HN LYS 93 19.563 -6.258 11.278 743 HA LYS 93 HA LYS 93 20.947 -6.551 8.717 744 HB2 LYS 93 2HB LYS 93 19.702 -4.094 9.763 745 HB3 LYS 93 3HB LYS 93 21.359 -3.899 9.206 746 HG2 LYS 93 2HG LYS 93 20.784 -4.081 7.057 747 HG3 LYS 93 3HG LYS 93 19.672 -5.416 7.367 748 HD2 LYS 93 2HD LYS 93 18.037 -3.757 8.254 749 HD3 LYS 93 3HD LYS 93 19.135 -2.473 7.747 750 HE2 LYS 93 2HE LYS 93 18.485 -2.627 5.616 751 HE3 LYS 93 3HE LYS 93 18.608 -4.386 5.624 752 HZ1 LYS 93 3HZ LYS 93 16.387 -4.204 5.372 753 HZ2 LYS 93 1HZ LYS 93 16.296 -2.683 6.109 754 HZ3 LYS 93 2HZ LYS 93 16.411 -4.078 7.058 755 H GLN 94 HN GLN 94 21.427 -7.550 11.423 756 HA GLN 94 HA GLN 94 24.133 -6.484 11.744 757 HB2 GLN 94 2HB GLN 94 23.847 -6.593 14.239 758 HB3 GLN 94 3HB GLN 94 22.944 -5.309 13.448 759 HG2 GLN 94 2HG GLN 94 20.963 -6.158 14.051 760 HG3 GLN 94 3HG GLN 94 21.470 -7.821 13.757 761 HE21 GLN 94 1HE2 GLN 94 23.538 -8.176 15.417 762 HE22 GLN 94 2HE2 GLN 94 23.052 -7.982 17.064 763 H HIS 95 HN HIS 95 23.046 -8.916 10.561 764 HA HIS 95 HA HIS 95 24.179 -10.920 12.399 765 HB2 HIS 95 2HB HIS 95 21.825 -10.955 10.625 766 HB3 HIS 95 3HB HIS 95 22.821 -12.405 10.558 767 HD1 HIS 95 1HD HIS 95 22.351 -14.105 12.300 768 HD2 HIS 95 2HD HIS 95 20.999 -10.333 13.403 769 HE1 HIS 95 1HE HIS 95 21.129 -14.437 14.472 770 HE2 HIS 95 2HE HIS 95 20.247 -12.155 15.077 Start of MODEL 13 1 H1 MET 1 1H MET 1 -0.574 -11.837 -9.355 2 H2 MET 1 2H MET 1 -1.628 -11.379 -8.080 3 H3 MET 1 3H MET 1 -1.852 -12.879 -8.885 4 HA MET 1 HA MET 1 -0.858 -13.439 -6.920 5 HB2 MET 1 2HB MET 1 1.231 -13.137 -9.085 6 HB3 MET 1 3HB MET 1 1.441 -14.128 -7.648 7 HG2 MET 1 2HG MET 1 -0.644 -15.366 -8.366 8 HG3 MET 1 3HG MET 1 -0.498 -14.519 -9.904 9 HE1 MET 1 2HE MET 1 1.696 -14.232 -10.966 10 HE2 MET 1 3HE MET 1 3.172 -15.007 -10.393 11 HE3 MET 1 1HE MET 1 2.260 -15.720 -11.722 12 H GLN 2 HN GLN 2 1.116 -13.228 -5.495 13 HA GLN 2 HA GLN 2 2.457 -12.018 -4.112 14 HB2 GLN 2 2HB GLN 2 3.137 -11.104 -6.562 15 HB3 GLN 2 3HB GLN 2 2.539 -9.616 -5.840 16 HG2 GLN 2 2HG GLN 2 4.179 -10.747 -3.896 17 HG3 GLN 2 3HG GLN 2 5.032 -10.991 -5.419 18 HE21 GLN 2 1HE2 GLN 2 4.511 -8.829 -6.863 19 HE22 GLN 2 2HE2 GLN 2 5.060 -7.392 -6.077 20 H LEU 3 HN LEU 3 0.565 -9.456 -5.724 21 HA LEU 3 HA LEU 3 -0.549 -8.776 -3.082 22 HB2 LEU 3 2HB LEU 3 -0.522 -6.462 -3.661 23 HB3 LEU 3 3HB LEU 3 1.077 -7.109 -3.974 24 HG LEU 3 HG LEU 3 -0.901 -6.923 -6.213 25 HD11 LEU 3 1HD1 LEU 3 -0.707 -4.696 -6.499 26 HD12 LEU 3 2HD1 LEU 3 -0.452 -4.711 -4.754 27 HD13 LEU 3 3HD1 LEU 3 0.931 -4.644 -5.847 28 HD21 LEU 3 3HD2 LEU 3 1.699 -7.831 -5.995 29 HD22 LEU 3 1HD2 LEU 3 0.858 -7.419 -7.488 30 HD23 LEU 3 2HD2 LEU 3 1.877 -6.221 -6.690 31 H ASN 4 HN ASN 4 -2.719 -8.350 -2.934 32 HA ASN 4 HA ASN 4 -4.307 -8.424 -5.398 33 HB2 ASN 4 2HB ASN 4 -4.471 -10.314 -3.086 34 HB3 ASN 4 3HB ASN 4 -5.951 -9.878 -3.934 35 HD21 ASN 4 1HD2 ASN 4 -5.753 -12.307 -4.234 36 HD22 ASN 4 2HD2 ASN 4 -4.963 -12.834 -5.677 37 H ILE 5 HN ILE 5 -6.335 -7.407 -5.269 38 HA ILE 5 HA ILE 5 -6.712 -5.732 -2.870 39 HB ILE 5 HB ILE 5 -7.594 -4.961 -5.644 40 HG12 ILE 5 2HG1 ILE 5 -5.055 -4.142 -4.215 41 HG13 ILE 5 3HG1 ILE 5 -5.140 -5.198 -5.620 42 HG21 ILE 5 1HG2 ILE 5 -8.764 -3.539 -4.350 43 HG22 ILE 5 2HG2 ILE 5 -7.693 -3.748 -2.965 44 HG23 ILE 5 3HG2 ILE 5 -7.234 -2.664 -4.279 45 HD11 ILE 5 3HD1 ILE 5 -6.066 -2.336 -5.583 46 HD12 ILE 5 1HD1 ILE 5 -4.487 -2.878 -6.154 47 HD13 ILE 5 2HD1 ILE 5 -5.953 -3.402 -6.984 48 H THR 6 HN THR 6 -8.859 -5.272 -2.231 49 HA THR 6 HA THR 6 -10.868 -7.124 -3.336 50 HB THR 6 HB THR 6 -10.661 -6.128 -0.489 51 HG1 THR 6 1HG THR 6 -9.746 -8.014 -0.006 52 HG21 THR 6 3HG2 THR 6 -12.267 -8.496 -1.257 53 HG22 THR 6 1HG2 THR 6 -12.939 -6.896 -1.561 54 HG23 THR 6 2HG2 THR 6 -12.480 -7.363 0.076 55 H GLY 7 HN GLY 7 -12.477 -6.125 -4.344 56 HA2 GLY 7 2HA GLY 7 -12.935 -3.285 -3.841 57 HA3 GLY 7 3HA GLY 7 -13.575 -4.218 -5.186 58 H ASN 8 HN ASN 8 -14.279 -2.809 -2.221 59 HA ASN 8 HA ASN 8 -16.765 -4.371 -1.984 60 HB2 ASN 8 2HB ASN 8 -16.685 -3.301 0.427 61 HB3 ASN 8 3HB ASN 8 -15.772 -4.759 0.069 62 HD21 ASN 8 1HD2 ASN 8 -13.503 -4.301 -0.775 63 HD22 ASN 8 2HD2 ASN 8 -12.618 -3.075 0.058 64 H ASN 9 HN ASN 9 -18.359 -3.248 -2.906 65 HA ASN 9 HA ASN 9 -19.770 -1.546 -3.459 66 HB2 ASN 9 2HB ASN 9 -19.780 -1.438 -0.884 67 HB3 ASN 9 3HB ASN 9 -18.733 -0.034 -1.069 68 HD21 ASN 9 1HD2 ASN 9 -20.172 1.434 -0.274 69 HD22 ASN 9 2HD2 ASN 9 -21.631 1.872 -1.088 70 H VAL 10 HN VAL 10 -17.050 -1.551 -4.484 71 HA VAL 10 HA VAL 10 -16.988 1.178 -5.454 72 HB VAL 10 HB VAL 10 -15.540 1.308 -3.490 73 HG11 VAL 10 1HG1 VAL 10 -14.908 -1.228 -3.874 74 HG12 VAL 10 2HG1 VAL 10 -13.537 -0.504 -4.715 75 HG13 VAL 10 3HG1 VAL 10 -13.834 -0.121 -3.019 76 HG21 VAL 10 3HG2 VAL 10 -13.935 2.567 -4.510 77 HG22 VAL 10 1HG2 VAL 10 -13.592 1.343 -5.731 78 HG23 VAL 10 2HG2 VAL 10 -15.029 2.354 -5.876 79 H GLU 11 HN GLU 11 -16.332 1.291 -7.539 80 HA GLU 11 HA GLU 11 -15.772 -1.199 -8.897 81 HB2 GLU 11 2HB GLU 11 -15.980 0.108 -10.949 82 HB3 GLU 11 3HB GLU 11 -17.337 0.419 -9.874 83 HG2 GLU 11 2HG GLU 11 -15.742 2.407 -9.102 84 HG3 GLU 11 3HG GLU 11 -15.157 2.211 -10.753 85 H ILE 12 HN ILE 12 -13.779 -1.963 -9.079 86 HA ILE 12 HA ILE 12 -11.457 -0.399 -8.575 87 HB ILE 12 HB ILE 12 -11.723 -3.165 -9.764 88 HG12 ILE 12 2HG1 ILE 12 -12.555 -2.765 -7.399 89 HG13 ILE 12 3HG1 ILE 12 -11.314 -4.001 -7.573 90 HG21 ILE 12 1HG2 ILE 12 -9.290 -1.659 -8.822 91 HG22 ILE 12 2HG2 ILE 12 -9.325 -3.405 -9.071 92 HG23 ILE 12 3HG2 ILE 12 -9.601 -2.315 -10.429 93 HD11 ILE 12 3HD1 ILE 12 -10.782 -1.168 -6.715 94 HD12 ILE 12 1HD1 ILE 12 -10.993 -2.530 -5.616 95 HD13 ILE 12 2HD1 ILE 12 -9.634 -2.506 -6.741 96 H THR 13 HN THR 13 -10.796 1.126 -9.944 97 HA THR 13 HA THR 13 -10.990 0.628 -12.833 98 HB THR 13 HB THR 13 -10.467 3.152 -12.928 99 HG1 THR 13 1HG THR 13 -9.849 3.598 -10.879 100 HG21 THR 13 3HG2 THR 13 -12.826 3.774 -12.218 101 HG22 THR 13 1HG2 THR 13 -13.044 2.061 -11.856 102 HG23 THR 13 2HG2 THR 13 -12.655 2.573 -13.498 103 H GLU 14 HN GLU 14 -9.213 0.578 -14.110 104 HA GLU 14 HA GLU 14 -6.814 -0.304 -13.399 105 HB2 GLU 14 2HB GLU 14 -7.249 1.791 -15.532 106 HB3 GLU 14 3HB GLU 14 -5.851 0.730 -15.417 107 HG2 GLU 14 2HG GLU 14 -7.540 -1.190 -15.548 108 HG3 GLU 14 3HG GLU 14 -8.681 0.035 -16.100 109 H ALA 15 HN ALA 15 -7.633 3.160 -13.390 110 HA ALA 15 HA ALA 15 -5.085 4.105 -12.691 111 HB1 ALA 15 1HB ALA 15 -6.429 5.801 -13.423 112 HB2 ALA 15 2HB ALA 15 -7.846 5.199 -12.562 113 HB3 ALA 15 3HB ALA 15 -6.569 6.035 -11.680 114 H LEU 16 HN LEU 16 -7.887 3.290 -10.659 115 HA LEU 16 HA LEU 16 -6.771 3.982 -8.195 116 HB2 LEU 16 2HB LEU 16 -9.182 3.051 -9.005 117 HB3 LEU 16 3HB LEU 16 -8.537 1.619 -8.226 118 HG LEU 16 HG LEU 16 -9.848 2.818 -6.623 119 HD11 LEU 16 1HD1 LEU 16 -8.053 1.846 -5.521 120 HD12 LEU 16 2HD1 LEU 16 -6.884 2.954 -6.239 121 HD13 LEU 16 3HD1 LEU 16 -7.984 3.524 -4.986 122 HD21 LEU 16 3HD2 LEU 16 -8.132 5.234 -6.689 123 HD22 LEU 16 1HD2 LEU 16 -9.328 5.049 -7.971 124 HD23 LEU 16 2HD2 LEU 16 -9.840 5.064 -6.282 125 H ARG 17 HN ARG 17 -7.130 0.662 -9.471 126 HA ARG 17 HA ARG 17 -5.549 -0.613 -7.596 127 HB2 ARG 17 2HB ARG 17 -5.336 -2.434 -9.196 128 HB3 ARG 17 3HB ARG 17 -6.971 -1.791 -9.222 129 HG2 ARG 17 2HG ARG 17 -6.316 -0.444 -11.227 130 HG3 ARG 17 3HG ARG 17 -4.793 -1.335 -11.243 131 HD2 ARG 17 2HD ARG 17 -7.428 -2.767 -11.225 132 HD3 ARG 17 3HD ARG 17 -6.732 -2.165 -12.729 133 HE ARG 17 HE ARG 17 -4.910 -3.757 -11.183 134 HH11 ARG 17 2HH1 ARG 17 -7.475 -3.845 -13.549 135 HH12 ARG 17 1HH1 ARG 17 -6.990 -5.372 -14.202 136 HH21 ARG 17 2HH2 ARG 17 -4.270 -5.767 -12.043 137 HH22 ARG 17 1HH2 ARG 17 -5.171 -6.465 -13.348 138 H GLU 18 HN GLU 18 -4.575 0.861 -10.668 139 HA GLU 18 HA GLU 18 -1.902 0.084 -10.680 140 HB2 GLU 18 2HB GLU 18 -3.024 1.160 -12.589 141 HB3 GLU 18 3HB GLU 18 -3.087 2.673 -11.696 142 HG2 GLU 18 2HG GLU 18 -1.282 2.665 -13.327 143 HG3 GLU 18 3HG GLU 18 -0.666 2.793 -11.680 144 H PHE 19 HN PHE 19 -3.414 2.956 -9.239 145 HA PHE 19 HA PHE 19 -1.102 4.210 -8.318 146 HB2 PHE 19 2HB PHE 19 -3.328 5.271 -8.335 147 HB3 PHE 19 3HB PHE 19 -3.845 4.198 -7.037 148 HD1 PHE 19 2HD PHE 19 -1.270 6.760 -7.847 149 HD2 PHE 19 1HD PHE 19 -3.606 4.863 -4.837 150 HE1 PHE 19 2HE PHE 19 -0.440 8.376 -6.188 151 HE2 PHE 19 1HE PHE 19 -2.781 6.476 -3.174 152 HZ PHE 19 HZ PHE 19 -1.195 8.235 -3.849 153 H VAL 20 HN VAL 20 -3.152 1.781 -6.738 154 HA VAL 20 HA VAL 20 -1.776 1.732 -4.281 155 HB VAL 20 HB VAL 20 -3.234 -0.595 -5.535 156 HG11 VAL 20 1HG1 VAL 20 -3.769 -0.710 -2.902 157 HG12 VAL 20 2HG1 VAL 20 -2.407 -1.537 -3.657 158 HG13 VAL 20 3HG1 VAL 20 -2.161 0.015 -2.856 159 HG21 VAL 20 3HG2 VAL 20 -4.748 1.223 -5.660 160 HG22 VAL 20 1HG2 VAL 20 -5.204 0.296 -4.230 161 HG23 VAL 20 2HG2 VAL 20 -4.299 1.801 -4.055 162 H THR 21 HN THR 21 -1.612 -0.581 -6.997 163 HA THR 21 HA THR 21 0.543 -2.064 -6.013 164 HB THR 21 HB THR 21 -0.118 -1.595 -8.925 165 HG1 THR 21 1HG THR 21 -1.950 -2.461 -8.401 166 HG21 THR 21 3HG2 THR 21 1.185 -3.313 -9.453 167 HG22 THR 21 1HG2 THR 21 0.626 -4.275 -8.085 168 HG23 THR 21 2HG2 THR 21 1.915 -3.091 -7.863 169 H ALA 22 HN ALA 22 0.430 0.958 -7.748 170 HA ALA 22 HA ALA 22 3.054 1.095 -8.695 171 HB1 ALA 22 1HB ALA 22 2.737 3.531 -8.706 172 HB2 ALA 22 2HB ALA 22 1.342 2.682 -9.372 173 HB3 ALA 22 3HB ALA 22 1.278 3.338 -7.735 174 H LYS 23 HN LYS 23 1.698 2.100 -5.571 175 HA LYS 23 HA LYS 23 4.162 3.063 -4.528 176 HB2 LYS 23 2HB LYS 23 1.757 2.112 -2.965 177 HB3 LYS 23 3HB LYS 23 3.014 3.211 -2.412 178 HG2 LYS 23 2HG LYS 23 1.335 3.906 -4.785 179 HG3 LYS 23 3HG LYS 23 0.733 4.165 -3.146 180 HD2 LYS 23 2HD LYS 23 2.331 5.766 -2.671 181 HD3 LYS 23 3HD LYS 23 3.444 5.168 -3.904 182 HE2 LYS 23 2HE LYS 23 1.344 5.904 -5.439 183 HE3 LYS 23 3HE LYS 23 1.207 7.072 -4.126 184 HZ1 LYS 23 3HZ LYS 23 3.244 6.822 -6.179 185 HZ2 LYS 23 1HZ LYS 23 3.813 7.205 -4.632 186 HZ3 LYS 23 2HZ LYS 23 2.671 8.201 -5.383 187 H PHE 24 HN PHE 24 2.336 0.047 -4.047 188 HA PHE 24 HA PHE 24 3.995 -1.215 -2.236 189 HB2 PHE 24 2HB PHE 24 1.983 -2.056 -4.196 190 HB3 PHE 24 3HB PHE 24 3.191 -3.291 -3.860 191 HD1 PHE 24 2HD PHE 24 3.525 -4.071 -1.517 192 HD2 PHE 24 1HD PHE 24 0.298 -1.531 -2.635 193 HE1 PHE 24 2HE PHE 24 2.341 -4.668 0.556 194 HE2 PHE 24 1HE PHE 24 -0.890 -2.123 -0.564 195 HZ PHE 24 HZ PHE 24 0.131 -3.694 1.035 196 H ALA 25 HN ALA 25 4.191 -1.316 -5.790 197 HA ALA 25 HA ALA 25 6.373 -2.993 -6.063 198 HB1 ALA 25 1HB ALA 25 6.331 -2.428 -8.248 199 HB2 ALA 25 2HB ALA 25 4.820 -1.638 -7.797 200 HB3 ALA 25 3HB ALA 25 6.307 -0.697 -7.911 201 H LYS 26 HN LYS 26 6.386 0.564 -5.789 202 HA LYS 26 HA LYS 26 9.115 0.988 -5.917 203 HB2 LYS 26 2HB LYS 26 6.784 2.466 -5.009 204 HB3 LYS 26 3HB LYS 26 8.206 2.843 -4.044 205 HG2 LYS 26 2HG LYS 26 9.251 2.973 -6.529 206 HG3 LYS 26 3HG LYS 26 7.592 3.485 -6.844 207 HD2 LYS 26 2HD LYS 26 8.600 5.495 -6.339 208 HD3 LYS 26 3HD LYS 26 7.978 5.014 -4.759 209 HE2 LYS 26 2HE LYS 26 10.163 5.674 -4.302 210 HE3 LYS 26 3HE LYS 26 10.278 3.918 -4.417 211 HZ1 LYS 26 3HZ LYS 26 11.514 4.034 -6.278 212 HZ2 LYS 26 1HZ LYS 26 11.891 5.584 -5.714 213 HZ3 LYS 26 2HZ LYS 26 10.695 5.381 -6.891 214 H LEU 27 HN LEU 27 7.188 -0.246 -3.284 215 HA LEU 27 HA LEU 27 9.234 0.082 -1.295 216 HB2 LEU 27 2HB LEU 27 6.567 -1.256 -1.400 217 HB3 LEU 27 3HB LEU 27 7.675 -1.672 -0.107 218 HG LEU 27 HG LEU 27 7.785 0.947 0.205 219 HD11 LEU 27 1HD1 LEU 27 6.467 1.672 -1.603 220 HD12 LEU 27 2HD1 LEU 27 5.208 0.483 -1.266 221 HD13 LEU 27 3HD1 LEU 27 5.446 1.850 -0.177 222 HD21 LEU 27 3HD2 LEU 27 6.753 -1.045 1.625 223 HD22 LEU 27 1HD2 LEU 27 6.502 0.647 2.058 224 HD23 LEU 27 2HD2 LEU 27 5.249 -0.235 1.186 225 H GLU 28 HN GLU 28 8.256 -2.385 -3.548 226 HA GLU 28 HA GLU 28 9.581 -4.591 -2.437 227 HB2 GLU 28 2HB GLU 28 8.334 -3.903 -4.982 228 HB3 GLU 28 3HB GLU 28 9.713 -4.977 -5.180 229 HG2 GLU 28 2HG GLU 28 8.034 -5.845 -3.006 230 HG3 GLU 28 3HG GLU 28 7.108 -5.675 -4.496 231 H GLN 29 HN GLN 29 10.867 -1.756 -3.802 232 HA GLN 29 HA GLN 29 13.255 -2.848 -4.911 233 HB2 GLN 29 2HB GLN 29 12.390 -0.655 -5.594 234 HB3 GLN 29 3HB GLN 29 12.649 -0.039 -3.967 235 HG2 GLN 29 2HG GLN 29 15.109 -0.708 -4.351 236 HG3 GLN 29 3HG GLN 29 14.664 -0.750 -6.056 237 HE21 GLN 29 1HE2 GLN 29 15.451 1.014 -6.960 238 HE22 GLN 29 2HE2 GLN 29 15.297 2.623 -6.352 239 H TYR 30 HN TYR 30 12.683 -0.952 -1.935 240 HA TYR 30 HA TYR 30 15.255 -1.805 -0.902 241 HB2 TYR 30 2HB TYR 30 14.369 -0.409 1.150 242 HB3 TYR 30 3HB TYR 30 14.979 0.389 -0.293 243 HD1 TYR 30 1HD TYR 30 11.864 -0.643 1.439 244 HD2 TYR 30 2HD TYR 30 13.608 1.842 -1.538 245 HE1 TYR 30 1HE TYR 30 9.746 0.587 1.236 246 HE2 TYR 30 2HE TYR 30 11.495 3.081 -1.752 247 HH TYR 30 HH TYR 30 9.038 2.918 0.479 248 H PHE 31 HN PHE 31 11.940 -2.717 -0.585 249 HA PHE 31 HA PHE 31 12.526 -4.275 1.830 250 HB2 PHE 31 2HB PHE 31 9.912 -3.669 0.435 251 HB3 PHE 31 3HB PHE 31 10.056 -4.741 1.822 252 HD1 PHE 31 1HD PHE 31 12.268 -2.914 3.130 253 HD2 PHE 31 2HD PHE 31 8.367 -2.221 1.586 254 HE1 PHE 31 1HE PHE 31 12.019 -0.990 4.640 255 HE2 PHE 31 2HE PHE 31 8.110 -0.293 3.089 256 HZ PHE 31 HZ PHE 31 9.937 0.326 4.619 257 H ASP 32 HN ASP 32 13.156 -6.306 1.612 258 HA ASP 32 HA ASP 32 12.453 -7.745 -0.853 259 HB2 ASP 32 2HB ASP 32 14.822 -7.800 0.952 260 HB3 ASP 32 3HB ASP 32 14.373 -9.298 0.141 261 H ARG 33 HN ARG 33 11.277 -7.465 2.146 262 HA ARG 33 HA ARG 33 10.773 -10.341 2.491 263 HB2 ARG 33 2HB ARG 33 10.179 -8.193 4.519 264 HB3 ARG 33 3HB ARG 33 10.332 -9.925 4.783 265 HG2 ARG 33 2HG ARG 33 12.638 -8.241 3.861 266 HG3 ARG 33 3HG ARG 33 12.249 -8.466 5.567 267 HD2 ARG 33 2HD ARG 33 13.057 -10.558 5.594 268 HD3 ARG 33 3HD ARG 33 12.335 -10.955 4.034 269 HE ARG 33 HE ARG 33 14.404 -9.328 3.382 270 HH11 ARG 33 2HH1 ARG 33 14.142 -12.240 5.286 271 HH12 ARG 33 1HH1 ARG 33 15.748 -12.774 4.920 272 HH21 ARG 33 2HH2 ARG 33 16.517 -10.029 2.898 273 HH22 ARG 33 1HH2 ARG 33 17.096 -11.519 3.564 274 H ILE 34 HN ILE 34 9.291 -9.852 0.553 275 HA ILE 34 HA ILE 34 6.607 -9.364 1.627 276 HB ILE 34 HB ILE 34 7.483 -8.246 -1.034 277 HG12 ILE 34 2HG1 ILE 34 6.976 -6.665 1.490 278 HG13 ILE 34 3HG1 ILE 34 8.587 -7.163 0.987 279 HG21 ILE 34 1HG2 ILE 34 5.246 -8.333 -1.289 280 HG22 ILE 34 2HG2 ILE 34 4.942 -8.420 0.446 281 HG23 ILE 34 3HG2 ILE 34 5.285 -6.865 -0.311 282 HD11 ILE 34 3HD1 ILE 34 7.001 -5.767 -1.054 283 HD12 ILE 34 1HD1 ILE 34 7.467 -4.806 0.351 284 HD13 ILE 34 2HD1 ILE 34 8.703 -5.605 -0.623 285 H ASN 35 HN ASN 35 5.670 -11.293 1.397 286 HA ASN 35 HA ASN 35 6.098 -12.775 -1.109 287 HB2 ASN 35 2HB ASN 35 5.095 -14.709 0.283 288 HB3 ASN 35 3HB ASN 35 6.747 -14.204 0.627 289 HD21 ASN 35 1HD2 ASN 35 3.982 -15.123 2.031 290 HD22 ASN 35 2HD2 ASN 35 4.118 -14.313 3.551 291 H GLN 36 HN GLN 36 3.530 -12.197 1.305 292 HA GLN 36 HA GLN 36 1.609 -12.064 -0.920 293 HB2 GLN 36 2HB GLN 36 1.535 -14.234 0.429 294 HB3 GLN 36 3HB GLN 36 0.934 -13.260 1.764 295 HG2 GLN 36 2HG GLN 36 -1.109 -13.519 0.968 296 HG3 GLN 36 3HG GLN 36 -0.641 -12.572 -0.443 297 HE21 GLN 36 1HE2 GLN 36 -2.575 -14.595 -0.482 298 HE22 GLN 36 2HE2 GLN 36 -2.001 -15.879 -1.484 299 H VAL 37 HN VAL 37 0.501 -10.241 -0.964 300 HA VAL 37 HA VAL 37 0.022 -8.800 1.551 301 HB VAL 37 HB VAL 37 0.242 -6.679 0.003 302 HG11 VAL 37 1HG1 VAL 37 1.553 -6.785 1.928 303 HG12 VAL 37 2HG1 VAL 37 2.433 -8.205 1.365 304 HG13 VAL 37 3HG1 VAL 37 2.732 -6.633 0.625 305 HG21 VAL 37 3HG2 VAL 37 1.397 -6.845 -1.914 306 HG22 VAL 37 1HG2 VAL 37 2.524 -8.025 -1.248 307 HG23 VAL 37 2HG2 VAL 37 0.951 -8.550 -1.845 308 H TYR 38 HN TYR 38 -1.977 -7.933 1.766 309 HA TYR 38 HA TYR 38 -3.722 -7.894 -0.590 310 HB2 TYR 38 2HB TYR 38 -5.558 -8.637 1.157 311 HB3 TYR 38 3HB TYR 38 -4.573 -9.825 0.315 312 HD1 TYR 38 1HD TYR 38 -2.371 -10.545 1.569 313 HD2 TYR 38 2HD TYR 38 -5.740 -8.754 3.458 314 HE1 TYR 38 1HE TYR 38 -1.650 -11.477 3.728 315 HE2 TYR 38 2HE TYR 38 -5.027 -9.680 5.621 316 HH TYR 38 HH TYR 38 -2.140 -10.658 6.342 317 H VAL 39 HN VAL 39 -5.267 -6.305 -0.635 318 HA VAL 39 HA VAL 39 -5.348 -4.428 1.624 319 HB VAL 39 HB VAL 39 -5.124 -3.511 -1.242 320 HG11 VAL 39 1HG1 VAL 39 -6.280 -2.069 0.501 321 HG12 VAL 39 2HG1 VAL 39 -4.701 -1.912 1.268 322 HG13 VAL 39 3HG1 VAL 39 -4.943 -1.327 -0.377 323 HG21 VAL 39 3HG2 VAL 39 -3.056 -4.656 -0.417 324 HG22 VAL 39 1HG2 VAL 39 -2.834 -2.961 -0.850 325 HG23 VAL 39 2HG2 VAL 39 -2.954 -3.429 0.847 326 H VAL 40 HN VAL 40 -7.269 -3.333 1.910 327 HA VAL 40 HA VAL 40 -9.432 -3.818 -0.007 328 HB VAL 40 HB VAL 40 -9.817 -4.237 2.963 329 HG11 VAL 40 1HG1 VAL 40 -11.571 -4.702 0.560 330 HG12 VAL 40 2HG1 VAL 40 -11.933 -5.323 2.170 331 HG13 VAL 40 3HG1 VAL 40 -11.843 -3.583 1.896 332 HG21 VAL 40 3HG2 VAL 40 -8.650 -6.139 2.592 333 HG22 VAL 40 1HG2 VAL 40 -10.194 -6.692 1.944 334 HG23 VAL 40 2HG2 VAL 40 -8.937 -6.108 0.853 335 H LEU 41 HN LEU 41 -10.686 -2.129 -0.330 336 HA LEU 41 HA LEU 41 -10.593 0.084 1.591 337 HB2 LEU 41 2HB LEU 41 -10.756 1.517 -0.611 338 HB3 LEU 41 3HB LEU 41 -9.212 1.005 0.041 339 HG LEU 41 HG LEU 41 -9.331 0.740 -2.397 340 HD11 LEU 41 1HD1 LEU 41 -8.335 -1.046 -0.577 341 HD12 LEU 41 2HD1 LEU 41 -9.239 -2.066 -1.695 342 HD13 LEU 41 3HD1 LEU 41 -7.971 -1.003 -2.302 343 HD21 LEU 41 3HD2 LEU 41 -11.329 -1.451 -1.992 344 HD22 LEU 41 1HD2 LEU 41 -11.823 0.203 -2.350 345 HD23 LEU 41 2HD2 LEU 41 -10.818 -0.686 -3.494 346 H LYS 42 HN LYS 42 -12.507 0.817 2.184 347 HA LYS 42 HA LYS 42 -14.854 0.072 0.577 348 HB2 LYS 42 2HB LYS 42 -15.031 -0.839 2.774 349 HB3 LYS 42 3HB LYS 42 -14.537 0.678 3.516 350 HG2 LYS 42 2HG LYS 42 -16.620 1.716 2.871 351 HG3 LYS 42 3HG LYS 42 -17.108 0.259 2.002 352 HD2 LYS 42 2HD LYS 42 -18.190 0.399 4.193 353 HD3 LYS 42 3HD LYS 42 -17.115 -0.997 4.093 354 HE2 LYS 42 2HE LYS 42 -15.517 -0.020 5.478 355 HE3 LYS 42 3HE LYS 42 -16.146 1.605 5.214 356 HZ1 LYS 42 3HZ LYS 42 -16.645 0.160 7.394 357 HZ2 LYS 42 1HZ LYS 42 -17.989 -0.260 6.454 358 HZ3 LYS 42 2HZ LYS 42 -17.684 1.363 6.816 359 H VAL 43 HN VAL 43 -16.411 1.590 0.050 360 HA VAL 43 HA VAL 43 -15.639 4.403 0.480 361 HB VAL 43 HB VAL 43 -16.993 3.333 -1.998 362 HG11 VAL 43 1HG1 VAL 43 -16.060 6.019 -1.093 363 HG12 VAL 43 2HG1 VAL 43 -16.033 5.628 -2.813 364 HG13 VAL 43 3HG1 VAL 43 -17.551 5.563 -1.917 365 HG21 VAL 43 3HG2 VAL 43 -14.089 4.003 -1.533 366 HG22 VAL 43 1HG2 VAL 43 -14.764 2.420 -1.919 367 HG23 VAL 43 2HG2 VAL 43 -14.813 3.714 -3.115 368 H GLU 44 HN GLU 44 -17.054 5.186 1.901 369 HA GLU 44 HA GLU 44 -19.915 4.716 1.396 370 HB2 GLU 44 2HB GLU 44 -20.114 5.111 3.959 371 HB3 GLU 44 3HB GLU 44 -19.622 3.531 3.367 372 HG2 GLU 44 2HG GLU 44 -17.259 4.187 3.751 373 HG3 GLU 44 3HG GLU 44 -17.844 5.681 4.485 374 H LYS 45 HN LYS 45 -21.330 6.443 1.926 375 HA LYS 45 HA LYS 45 -20.509 8.952 1.104 376 HB2 LYS 45 2HB LYS 45 -22.850 8.188 1.134 377 HB3 LYS 45 3HB LYS 45 -22.857 8.299 2.888 378 HG2 LYS 45 2HG LYS 45 -22.006 10.772 1.629 379 HG3 LYS 45 3HG LYS 45 -23.618 10.268 1.119 380 HD2 LYS 45 2HD LYS 45 -23.890 9.848 3.730 381 HD3 LYS 45 3HD LYS 45 -22.632 11.085 3.800 382 HE2 LYS 45 2HE LYS 45 -24.791 11.733 1.947 383 HE3 LYS 45 3HE LYS 45 -25.338 11.540 3.611 384 HZ1 LYS 45 3HZ LYS 45 -24.198 13.352 4.296 385 HZ2 LYS 45 1HZ LYS 45 -24.397 13.817 2.681 386 HZ3 LYS 45 2HZ LYS 45 -22.935 13.135 3.192 387 H VAL 46 HN VAL 46 -20.050 7.507 4.185 388 HA VAL 46 HA VAL 46 -19.788 10.053 5.549 389 HB VAL 46 HB VAL 46 -18.866 8.329 7.394 390 HG11 VAL 46 1HG1 VAL 46 -21.801 8.314 7.145 391 HG12 VAL 46 2HG1 VAL 46 -20.775 8.821 8.486 392 HG13 VAL 46 3HG1 VAL 46 -21.028 9.898 7.114 393 HG21 VAL 46 3HG2 VAL 46 -19.805 6.208 7.295 394 HG22 VAL 46 1HG2 VAL 46 -20.961 6.669 6.048 395 HG23 VAL 46 2HG2 VAL 46 -19.258 6.472 5.639 396 H THR 47 HN THR 47 -17.562 7.331 5.947 397 HA THR 47 HA THR 47 -15.363 9.088 5.090 398 HB THR 47 HB THR 47 -15.150 7.193 7.423 399 HG1 THR 47 1HG THR 47 -16.600 8.687 8.108 400 HG21 THR 47 3HG2 THR 47 -13.219 8.448 8.043 401 HG22 THR 47 1HG2 THR 47 -13.497 9.608 6.745 402 HG23 THR 47 2HG2 THR 47 -13.043 7.948 6.361 403 H HIS 48 HN HIS 48 -13.516 8.063 4.235 404 HA HIS 48 HA HIS 48 -14.091 5.493 2.999 405 HB2 HIS 48 2HB HIS 48 -11.831 7.467 2.627 406 HB3 HIS 48 3HB HIS 48 -11.944 5.937 1.763 407 HD1 HIS 48 1HD HIS 48 -12.907 6.192 -0.487 408 HD2 HIS 48 2HD HIS 48 -14.414 9.023 2.153 409 HE1 HIS 48 1HE HIS 48 -14.477 7.610 -1.846 410 HE2 HIS 48 2HE HIS 48 -15.443 9.261 -0.207 411 H THR 49 HN THR 49 -13.044 3.603 3.428 412 HA THR 49 HA THR 49 -10.973 3.684 5.527 413 HB THR 49 HB THR 49 -13.119 1.576 5.223 414 HG1 THR 49 1HG THR 49 -14.149 3.278 6.073 415 HG21 THR 49 3HG2 THR 49 -11.175 0.622 6.246 416 HG22 THR 49 1HG2 THR 49 -12.407 0.882 7.480 417 HG23 THR 49 2HG2 THR 49 -11.038 1.988 7.353 418 H SER 50 HN SER 50 -9.158 2.595 5.150 419 HA SER 50 HA SER 50 -9.115 0.526 3.072 420 HB2 SER 50 2HB SER 50 -6.929 1.476 2.251 421 HB3 SER 50 3HB SER 50 -8.335 2.486 1.911 422 HG SER 50 HG SER 50 -6.444 2.832 3.998 423 H ASP 51 HN ASP 51 -7.791 -1.188 3.521 424 HA ASP 51 HA ASP 51 -6.081 -0.964 5.907 425 HB2 ASP 51 2HB ASP 51 -6.759 -3.193 6.610 426 HB3 ASP 51 3HB ASP 51 -8.174 -2.158 6.452 427 H ALA 52 HN ALA 52 -4.248 -2.311 5.977 428 HA ALA 52 HA ALA 52 -3.548 -3.726 3.506 429 HB1 ALA 52 1HB ALA 52 -2.648 -1.272 3.700 430 HB2 ALA 52 2HB ALA 52 -1.462 -2.013 4.774 431 HB3 ALA 52 3HB ALA 52 -1.607 -2.567 3.106 432 H THR 53 HN THR 53 -2.290 -5.513 3.796 433 HA THR 53 HA THR 53 -1.158 -6.022 6.450 434 HB THR 53 HB THR 53 -2.624 -8.267 5.154 435 HG1 THR 53 1HG THR 53 -4.545 -7.605 6.137 436 HG21 THR 53 3HG2 THR 53 -2.931 -9.077 7.325 437 HG22 THR 53 1HG2 THR 53 -2.557 -7.514 8.053 438 HG23 THR 53 2HG2 THR 53 -1.278 -8.463 7.294 439 H LEU 54 HN LEU 54 0.944 -6.304 6.014 440 HA LEU 54 HA LEU 54 1.697 -7.830 3.621 441 HB2 LEU 54 2HB LEU 54 3.541 -6.241 5.394 442 HB3 LEU 54 3HB LEU 54 3.846 -6.820 3.769 443 HG LEU 54 HG LEU 54 1.803 -5.253 3.179 444 HD11 LEU 54 1HD1 LEU 54 2.760 -3.302 5.044 445 HD12 LEU 54 2HD1 LEU 54 1.111 -3.860 4.758 446 HD13 LEU 54 3HD1 LEU 54 2.141 -4.707 5.912 447 HD21 LEU 54 3HD2 LEU 54 4.451 -5.159 2.751 448 HD22 LEU 54 1HD2 LEU 54 3.338 -3.897 2.226 449 HD23 LEU 54 2HD2 LEU 54 4.252 -3.700 3.721 450 H HIS 55 HN HIS 55 3.066 -9.594 3.733 451 HA HIS 55 HA HIS 55 3.253 -10.838 6.389 452 HB2 HIS 55 2HB HIS 55 3.118 -11.960 3.603 453 HB3 HIS 55 3HB HIS 55 3.736 -12.932 4.935 454 HD1 HIS 55 1HD HIS 55 1.993 -14.391 5.879 455 HD2 HIS 55 2HD HIS 55 0.404 -10.816 4.481 456 HE1 HIS 55 1HE HIS 55 -0.480 -14.541 6.311 457 HE2 HIS 55 2HE HIS 55 -1.409 -12.333 5.531 458 H VAL 56 HN VAL 56 5.175 -11.418 7.258 459 HA VAL 56 HA VAL 56 7.590 -11.233 5.610 460 HB VAL 56 HB VAL 56 8.767 -9.983 7.391 461 HG11 VAL 56 1HG1 VAL 56 8.277 -8.037 6.391 462 HG12 VAL 56 2HG1 VAL 56 7.178 -9.000 5.405 463 HG13 VAL 56 3HG1 VAL 56 6.567 -8.138 6.816 464 HG21 VAL 56 3HG2 VAL 56 7.602 -8.947 9.194 465 HG22 VAL 56 1HG2 VAL 56 6.040 -9.469 8.563 466 HG23 VAL 56 2HG2 VAL 56 7.172 -10.657 9.206 467 H ASN 57 HN ASN 57 9.479 -12.228 6.617 468 HA ASN 57 HA ASN 57 8.802 -14.705 7.863 469 HB2 ASN 57 2HB ASN 57 11.467 -13.419 7.241 470 HB3 ASN 57 3HB ASN 57 11.298 -15.037 7.914 471 HD21 ASN 57 1HD2 ASN 57 11.793 -13.405 5.152 472 HD22 ASN 57 2HD2 ASN 57 11.167 -14.538 4.009 473 H GLY 58 HN GLY 58 8.104 -14.637 9.920 474 HA2 GLY 58 2HA GLY 58 9.136 -14.763 12.193 475 HA3 GLY 58 3HA GLY 58 9.763 -13.155 11.866 476 H GLY 59 HN GLY 59 7.108 -12.570 10.462 477 HA2 GLY 59 2HA GLY 59 5.040 -12.731 12.378 478 HA3 GLY 59 3HA GLY 59 5.875 -11.194 12.557 479 H GLU 60 HN GLU 60 3.525 -10.599 12.012 480 HA GLU 60 HA GLU 60 3.447 -10.002 9.149 481 HB2 GLU 60 2HB GLU 60 1.261 -11.331 10.736 482 HB3 GLU 60 3HB GLU 60 0.915 -10.424 9.271 483 HG2 GLU 60 2HG GLU 60 1.979 -11.950 7.911 484 HG3 GLU 60 3HG GLU 60 2.973 -12.581 9.223 485 H ILE 61 HN ILE 61 2.863 -7.950 8.719 486 HA ILE 61 HA ILE 61 2.040 -6.290 10.996 487 HB ILE 61 HB ILE 61 3.074 -5.355 8.320 488 HG12 ILE 61 2HG1 ILE 61 4.841 -5.098 10.649 489 HG13 ILE 61 3HG1 ILE 61 4.537 -6.765 10.176 490 HG21 ILE 61 1HG2 ILE 61 3.371 -3.232 9.368 491 HG22 ILE 61 2HG2 ILE 61 1.722 -3.766 9.699 492 HG23 ILE 61 3HG2 ILE 61 2.958 -3.893 10.951 493 HD11 ILE 61 3HD1 ILE 61 6.314 -6.380 8.851 494 HD12 ILE 61 1HD1 ILE 61 5.080 -5.725 7.775 495 HD13 ILE 61 2HD1 ILE 61 6.033 -4.641 8.790 496 H HIS 62 HN HIS 62 0.171 -5.138 11.003 497 HA HIS 62 HA HIS 62 -1.478 -5.160 8.577 498 HB2 HIS 62 2HB HIS 62 -2.255 -6.974 10.065 499 HB3 HIS 62 3HB HIS 62 -2.483 -5.803 11.358 500 HD1 HIS 62 1HD HIS 62 -4.965 -5.783 11.615 501 HD2 HIS 62 2HD HIS 62 -3.786 -5.405 7.648 502 HE1 HIS 62 1HE HIS 62 -7.073 -5.313 10.328 503 HE2 HIS 62 2HE HIS 62 -6.347 -5.180 7.920 504 H ALA 63 HN ALA 63 -1.725 -3.085 8.047 505 HA ALA 63 HA ALA 63 -2.260 -1.156 10.215 506 HB1 ALA 63 1HB ALA 63 -0.115 -1.124 8.462 507 HB2 ALA 63 2HB ALA 63 -1.236 0.059 7.788 508 HB3 ALA 63 3HB ALA 63 -0.680 0.220 9.454 509 H SER 64 HN SER 64 -3.657 0.647 9.655 510 HA SER 64 HA SER 64 -5.299 0.285 7.267 511 HB2 SER 64 2HB SER 64 -6.216 -0.730 9.603 512 HB3 SER 64 3HB SER 64 -6.806 0.926 9.737 513 HG SER 64 HG SER 64 -7.735 -1.093 8.215 514 H ALA 65 HN ALA 65 -6.295 2.202 6.543 515 HA ALA 65 HA ALA 65 -5.878 4.633 8.086 516 HB1 ALA 65 1HB ALA 65 -4.055 3.864 6.076 517 HB2 ALA 65 2HB ALA 65 -4.987 5.221 5.444 518 HB3 ALA 65 3HB ALA 65 -4.118 5.382 6.970 519 H GLU 66 HN GLU 66 -6.765 6.567 6.885 520 HA GLU 66 HA GLU 66 -8.950 5.884 5.061 521 HB2 GLU 66 2HB GLU 66 -10.408 7.497 6.421 522 HB3 GLU 66 3HB GLU 66 -10.146 5.891 7.085 523 HG2 GLU 66 2HG GLU 66 -9.058 6.673 8.876 524 HG3 GLU 66 3HG GLU 66 -8.181 7.883 7.942 525 H GLY 67 HN GLY 67 -9.862 7.826 3.989 526 HA2 GLY 67 2HA GLY 67 -8.347 10.282 4.172 527 HA3 GLY 67 3HA GLY 67 -8.050 9.368 2.701 528 H GLN 68 HN GLN 68 -8.999 11.845 2.412 529 HA GLN 68 HA GLN 68 -11.804 12.116 2.424 530 HB2 GLN 68 2HB GLN 68 -10.299 14.037 2.334 531 HB3 GLN 68 3HB GLN 68 -9.725 13.535 0.751 532 HG2 GLN 68 2HG GLN 68 -11.303 15.353 0.554 533 HG3 GLN 68 3HG GLN 68 -11.956 13.887 -0.174 534 HE21 GLN 68 1HE2 GLN 68 -13.497 12.657 1.093 535 HE22 GLN 68 2HE2 GLN 68 -14.539 13.487 2.193 536 H ASP 69 HN ASP 69 -9.811 10.232 0.432 537 HA ASP 69 HA ASP 69 -12.046 9.548 -1.251 538 HB2 ASP 69 2HB ASP 69 -10.612 9.884 -3.354 539 HB3 ASP 69 3HB ASP 69 -11.329 11.319 -2.630 540 H MET 70 HN MET 70 -11.197 7.873 -2.981 541 HA MET 70 HA MET 70 -10.132 5.705 -1.529 542 HB2 MET 70 2HB MET 70 -11.652 5.585 -3.546 543 HB3 MET 70 3HB MET 70 -10.241 5.929 -4.534 544 HG2 MET 70 2HG MET 70 -9.894 3.750 -4.622 545 HG3 MET 70 3HG MET 70 -9.431 3.833 -2.924 546 HE1 MET 70 3HE MET 70 -11.740 2.085 -5.411 547 HE2 MET 70 1HE MET 70 -10.459 1.317 -4.472 548 HE3 MET 70 2HE MET 70 -12.142 0.861 -4.206 549 H TYR 71 HN TYR 71 -8.589 8.301 -3.110 550 HA TYR 71 HA TYR 71 -6.116 6.854 -3.587 551 HB2 TYR 71 2HB TYR 71 -7.274 9.381 -4.444 552 HB3 TYR 71 3HB TYR 71 -5.599 9.567 -3.936 553 HD1 TYR 71 1HD TYR 71 -7.381 6.821 -5.740 554 HD2 TYR 71 2HD TYR 71 -4.266 9.718 -5.815 555 HE1 TYR 71 1HE TYR 71 -6.633 5.952 -7.914 556 HE2 TYR 71 2HE TYR 71 -3.508 8.858 -7.990 557 HH TYR 71 HH TYR 71 -3.648 6.941 -9.365 558 H ALA 72 HN ALA 72 -7.388 9.332 -1.417 559 HA ALA 72 HA ALA 72 -4.990 9.932 -0.078 560 HB1 ALA 72 1HB ALA 72 -6.883 11.391 0.132 561 HB2 ALA 72 2HB ALA 72 -7.852 10.106 0.855 562 HB3 ALA 72 3HB ALA 72 -6.477 10.775 1.735 563 H ALA 73 HN ALA 73 -7.556 7.597 0.678 564 HA ALA 73 HA ALA 73 -6.621 6.642 3.098 565 HB1 ALA 73 1HB ALA 73 -8.256 5.119 2.915 566 HB2 ALA 73 2HB ALA 73 -8.697 6.014 1.461 567 HB3 ALA 73 3HB ALA 73 -7.701 4.565 1.335 568 H ILE 74 HN ILE 74 -5.638 5.733 -0.171 569 HA ILE 74 HA ILE 74 -3.949 3.586 0.645 570 HB ILE 74 HB ILE 74 -3.802 5.167 -1.923 571 HG12 ILE 74 2HG1 ILE 74 -6.074 4.274 -1.492 572 HG13 ILE 74 3HG1 ILE 74 -5.303 3.510 -2.878 573 HG21 ILE 74 1HG2 ILE 74 -2.326 3.663 -2.686 574 HG22 ILE 74 2HG2 ILE 74 -2.051 3.306 -0.980 575 HG23 ILE 74 3HG2 ILE 74 -3.159 2.309 -1.923 576 HD11 ILE 74 3HD1 ILE 74 -5.302 2.290 -0.137 577 HD12 ILE 74 1HD1 ILE 74 -6.565 1.987 -1.329 578 HD13 ILE 74 2HD1 ILE 74 -4.898 1.524 -1.674 579 H ASP 75 HN ASP 75 -3.508 7.029 0.197 580 HA ASP 75 HA ASP 75 -0.685 7.057 0.136 581 HB2 ASP 75 2HB ASP 75 -2.609 8.943 -0.212 582 HB3 ASP 75 3HB ASP 75 -2.028 9.369 1.395 583 H GLY 76 HN GLY 76 -2.920 7.788 2.825 584 HA2 GLY 76 2HA GLY 76 -0.877 7.922 4.787 585 HA3 GLY 76 3HA GLY 76 -2.598 7.753 5.102 586 H LEU 77 HN LEU 77 -2.778 5.285 3.506 587 HA LEU 77 HA LEU 77 -2.186 3.441 5.598 588 HB2 LEU 77 2HB LEU 77 -4.134 3.086 4.237 589 HB3 LEU 77 3HB LEU 77 -3.170 3.065 2.773 590 HG LEU 77 HG LEU 77 -2.220 0.938 3.330 591 HD11 LEU 77 1HD1 LEU 77 -3.681 1.158 5.957 592 HD12 LEU 77 2HD1 LEU 77 -2.771 -0.244 5.396 593 HD13 LEU 77 3HD1 LEU 77 -1.937 1.275 5.724 594 HD21 LEU 77 3HD2 LEU 77 -4.944 0.255 4.145 595 HD22 LEU 77 1HD2 LEU 77 -4.863 1.319 2.741 596 HD23 LEU 77 2HD2 LEU 77 -4.026 -0.234 2.719 597 H ILE 78 HN ILE 78 -0.911 3.902 2.314 598 HA ILE 78 HA ILE 78 1.055 1.863 2.515 599 HB ILE 78 HB ILE 78 0.868 4.251 0.672 600 HG12 ILE 78 2HG1 ILE 78 -0.918 2.542 0.472 601 HG13 ILE 78 3HG1 ILE 78 0.091 2.632 -0.968 602 HG21 ILE 78 1HG2 ILE 78 2.993 2.256 1.025 603 HG22 ILE 78 2HG2 ILE 78 2.448 2.472 -0.638 604 HG23 ILE 78 3HG2 ILE 78 3.046 3.853 0.281 605 HD11 ILE 78 3HD1 ILE 78 -0.546 0.371 0.548 606 HD12 ILE 78 1HD1 ILE 78 0.580 0.484 -0.805 607 HD13 ILE 78 2HD1 ILE 78 1.162 0.698 0.846 608 H ASP 79 HN ASP 79 0.861 5.015 3.809 609 HA ASP 79 HA ASP 79 3.681 5.535 3.934 610 HB2 ASP 79 2HB ASP 79 1.295 6.976 4.490 611 HB3 ASP 79 3HB ASP 79 2.242 6.952 5.973 612 H LYS 80 HN LYS 80 1.214 4.581 6.310 613 HA LYS 80 HA LYS 80 2.946 4.167 8.470 614 HB2 LYS 80 2HB LYS 80 0.227 3.104 7.767 615 HB3 LYS 80 3HB LYS 80 1.065 2.525 9.199 616 HG2 LYS 80 2HG LYS 80 1.249 4.891 9.963 617 HG3 LYS 80 3HG LYS 80 0.227 5.350 8.600 618 HD2 LYS 80 2HD LYS 80 -1.139 3.255 9.808 619 HD3 LYS 80 3HD LYS 80 -0.501 4.193 11.159 620 HE2 LYS 80 2HE LYS 80 -1.657 5.824 9.024 621 HE3 LYS 80 3HE LYS 80 -2.812 4.736 9.793 622 HZ1 LYS 80 3HZ LYS 80 -1.050 6.281 11.536 623 HZ2 LYS 80 1HZ LYS 80 -2.662 5.817 11.764 624 HZ3 LYS 80 2HZ LYS 80 -2.291 7.120 10.751 625 H LEU 81 HN LEU 81 1.937 2.033 5.844 626 HA LEU 81 HA LEU 81 2.951 -0.374 6.816 627 HB2 LEU 81 2HB LEU 81 2.350 0.711 4.109 628 HB3 LEU 81 3HB LEU 81 3.292 -0.761 4.213 629 HG LEU 81 HG LEU 81 1.476 -1.842 5.458 630 HD11 LEU 81 1HD1 LEU 81 -0.487 0.239 4.811 631 HD12 LEU 81 2HD1 LEU 81 -0.376 -0.828 6.209 632 HD13 LEU 81 3HD1 LEU 81 0.620 0.623 6.128 633 HD21 LEU 81 3HD2 LEU 81 0.408 -2.444 3.571 634 HD22 LEU 81 1HD2 LEU 81 0.032 -0.779 3.126 635 HD23 LEU 81 2HD2 LEU 81 1.637 -1.440 2.802 636 H ALA 82 HN ALA 82 4.524 2.001 4.658 637 HA ALA 82 HA ALA 82 6.960 0.718 4.353 638 HB1 ALA 82 1HB ALA 82 5.954 3.424 4.004 639 HB2 ALA 82 2HB ALA 82 7.660 3.385 4.452 640 HB3 ALA 82 3HB ALA 82 7.103 2.506 3.027 641 H ARG 83 HN ARG 83 6.267 3.304 6.714 642 HA ARG 83 HA ARG 83 8.612 3.268 8.131 643 HB2 ARG 83 2HB ARG 83 5.884 3.569 9.391 644 HB3 ARG 83 3HB ARG 83 7.403 4.223 9.987 645 HG2 ARG 83 2HG ARG 83 6.896 5.105 7.291 646 HG3 ARG 83 3HG ARG 83 5.541 5.492 8.354 647 HD2 ARG 83 2HD ARG 83 7.123 7.319 8.346 648 HD3 ARG 83 3HD ARG 83 7.111 6.546 9.931 649 HE ARG 83 HE ARG 83 9.138 5.295 8.656 650 HH11 ARG 83 2HH1 ARG 83 8.363 8.661 9.162 651 HH12 ARG 83 1HH1 ARG 83 10.018 9.171 9.159 652 HH21 ARG 83 2HH2 ARG 83 11.314 5.964 8.653 653 HH22 ARG 83 1HH2 ARG 83 11.693 7.641 8.870 654 H GLN 84 HN GLN 84 5.933 1.005 8.358 655 HA GLN 84 HA GLN 84 6.899 -0.313 10.706 656 HB2 GLN 84 2HB GLN 84 4.673 -0.654 8.803 657 HB3 GLN 84 3HB GLN 84 5.258 -2.145 9.530 658 HG2 GLN 84 2HG GLN 84 4.368 0.294 11.055 659 HG3 GLN 84 3HG GLN 84 3.390 -1.144 10.769 660 HE21 GLN 84 1HE2 GLN 84 5.011 0.330 13.078 661 HE22 GLN 84 2HE2 GLN 84 5.610 -1.013 13.984 662 H LEU 85 HN LEU 85 6.965 -1.048 7.234 663 HA LEU 85 HA LEU 85 8.241 -3.521 7.371 664 HB2 LEU 85 2HB LEU 85 8.010 -1.399 5.294 665 HB3 LEU 85 3HB LEU 85 9.173 -2.684 5.039 666 HG LEU 85 HG LEU 85 6.894 -2.984 3.971 667 HD11 LEU 85 1HD1 LEU 85 8.496 -4.893 5.480 668 HD12 LEU 85 2HD1 LEU 85 6.835 -5.423 5.216 669 HD13 LEU 85 3HD1 LEU 85 7.851 -4.991 3.842 670 HD21 LEU 85 3HD2 LEU 85 5.260 -4.097 5.637 671 HD22 LEU 85 1HD2 LEU 85 6.142 -3.189 6.862 672 HD23 LEU 85 2HD2 LEU 85 5.327 -2.339 5.550 673 H THR 86 HN THR 86 9.628 -0.265 7.136 674 HA THR 86 HA THR 86 12.319 -1.043 6.954 675 HB THR 86 HB THR 86 11.246 1.483 8.223 676 HG1 THR 86 1HG THR 86 10.460 1.787 6.301 677 HG21 THR 86 3HG2 THR 86 13.663 1.148 8.511 678 HG22 THR 86 1HG2 THR 86 13.280 2.526 7.481 679 HG23 THR 86 2HG2 THR 86 13.831 1.014 6.761 680 H LYS 87 HN LYS 87 10.311 -0.251 9.772 681 HA LYS 87 HA LYS 87 12.216 -0.337 11.764 682 HB2 LYS 87 2HB LYS 87 9.331 -0.580 11.596 683 HB3 LYS 87 3HB LYS 87 9.982 -1.577 12.890 684 HG2 LYS 87 2HG LYS 87 11.290 0.896 13.086 685 HG3 LYS 87 3HG LYS 87 9.587 1.258 12.802 686 HD2 LYS 87 2HD LYS 87 9.595 1.068 15.088 687 HD3 LYS 87 3HD LYS 87 9.226 -0.597 14.632 688 HE2 LYS 87 2HE LYS 87 11.954 -0.605 14.620 689 HE3 LYS 87 3HE LYS 87 11.604 0.526 15.928 690 HZ1 LYS 87 3HZ LYS 87 10.410 -1.099 17.095 691 HZ2 LYS 87 1HZ LYS 87 11.799 -1.897 16.547 692 HZ3 LYS 87 2HZ LYS 87 10.321 -2.135 15.761 693 H HIS 88 HN HIS 88 10.095 -3.089 10.951 694 HA HIS 88 HA HIS 88 11.634 -4.952 12.411 695 HB2 HIS 88 2HB HIS 88 10.135 -6.577 11.697 696 HB3 HIS 88 3HB HIS 88 9.172 -5.110 11.605 697 HD1 HIS 88 1HD HIS 88 7.863 -4.938 9.527 698 HD2 HIS 88 2HD HIS 88 11.336 -7.148 8.969 699 HE1 HIS 88 1HE HIS 88 7.783 -5.725 7.140 700 HE2 HIS 88 2HE HIS 88 9.941 -6.979 6.797 701 H LYS 89 HN LYS 89 11.867 -3.763 9.155 702 HA LYS 89 HA LYS 89 13.432 -5.857 8.074 703 HB2 LYS 89 2HB LYS 89 12.298 -4.276 6.628 704 HB3 LYS 89 3HB LYS 89 13.236 -2.944 7.291 705 HG2 LYS 89 2HG LYS 89 15.000 -4.969 6.290 706 HG3 LYS 89 3HG LYS 89 13.824 -4.526 5.052 707 HD2 LYS 89 2HD LYS 89 15.258 -2.849 4.616 708 HD3 LYS 89 3HD LYS 89 14.510 -2.084 6.021 709 HE2 LYS 89 2HE LYS 89 16.966 -2.026 6.124 710 HE3 LYS 89 3HE LYS 89 16.261 -2.940 7.458 711 HZ1 LYS 89 3HZ LYS 89 17.139 -4.326 5.010 712 HZ2 LYS 89 1HZ LYS 89 16.976 -4.935 6.579 713 HZ3 LYS 89 2HZ LYS 89 18.266 -3.910 6.201 714 H ASP 90 HN ASP 90 14.175 -3.285 10.240 715 HA ASP 90 HA ASP 90 16.968 -3.117 9.670 716 HB2 ASP 90 2HB ASP 90 15.578 -1.338 10.817 717 HB3 ASP 90 3HB ASP 90 15.597 -2.357 12.252 718 H LYS 91 HN LYS 91 14.970 -5.078 11.752 719 HA LYS 91 HA LYS 91 16.758 -6.050 13.597 720 HB2 LYS 91 2HB LYS 91 14.371 -7.209 12.239 721 HB3 LYS 91 3HB LYS 91 15.379 -8.285 13.197 722 HG2 LYS 91 2HG LYS 91 14.756 -7.352 15.159 723 HG3 LYS 91 3HG LYS 91 14.589 -5.737 14.466 724 HD2 LYS 91 2HD LYS 91 12.416 -6.049 13.935 725 HD3 LYS 91 3HD LYS 91 12.663 -7.739 13.490 726 HE2 LYS 91 2HE LYS 91 12.977 -8.101 16.038 727 HE3 LYS 91 3HE LYS 91 12.163 -6.544 16.188 728 HZ1 LYS 91 3HZ LYS 91 11.003 -8.746 14.595 729 HZ2 LYS 91 1HZ LYS 91 10.228 -7.383 15.229 730 HZ3 LYS 91 2HZ LYS 91 10.734 -8.625 16.260 731 H LEU 92 HN LEU 92 16.615 -6.724 10.189 732 HA LEU 92 HA LEU 92 18.494 -8.938 10.410 733 HB2 LEU 92 2HB LEU 92 17.379 -7.692 7.902 734 HB3 LEU 92 3HB LEU 92 18.166 -9.251 8.051 735 HG LEU 92 HG LEU 92 16.177 -9.790 9.667 736 HD11 LEU 92 1HD1 LEU 92 15.308 -7.314 8.272 737 HD12 LEU 92 2HD1 LEU 92 14.121 -8.589 8.543 738 HD13 LEU 92 3HD1 LEU 92 14.969 -7.867 9.911 739 HD21 LEU 92 3HD2 LEU 92 14.798 -10.389 7.586 740 HD22 LEU 92 1HD2 LEU 92 16.145 -9.713 6.671 741 HD23 LEU 92 2HD2 LEU 92 16.410 -11.087 7.745 742 H LYS 93 HN LYS 93 19.811 -6.937 11.425 743 HA LYS 93 HA LYS 93 21.416 -5.738 9.271 744 HB2 LYS 93 2HB LYS 93 20.260 -4.539 11.456 745 HB3 LYS 93 3HB LYS 93 21.910 -4.796 12.006 746 HG2 LYS 93 2HG LYS 93 22.806 -3.402 10.399 747 HG3 LYS 93 3HG LYS 93 21.405 -3.557 9.336 748 HD2 LYS 93 2HD LYS 93 20.391 -1.805 10.278 749 HD3 LYS 93 3HD LYS 93 20.687 -2.420 11.906 750 HE2 LYS 93 2HE LYS 93 22.993 -1.536 11.776 751 HE3 LYS 93 3HE LYS 93 22.615 -0.852 10.196 752 HZ1 LYS 93 3HZ LYS 93 21.440 0.817 11.107 753 HZ2 LYS 93 1HZ LYS 93 22.353 0.478 12.490 754 HZ3 LYS 93 2HZ LYS 93 20.788 -0.145 12.336 755 H GLN 94 HN GLN 94 23.728 -5.157 10.558 756 HA GLN 94 HA GLN 94 24.754 -7.758 11.480 757 HB2 GLN 94 2HB GLN 94 26.885 -7.168 10.245 758 HB3 GLN 94 3HB GLN 94 25.509 -7.599 9.238 759 HG2 GLN 94 2HG GLN 94 25.119 -5.340 8.646 760 HG3 GLN 94 3HG GLN 94 26.251 -4.758 9.864 761 HE21 GLN 94 1HE2 GLN 94 26.645 -7.428 7.597 762 HE22 GLN 94 2HE2 GLN 94 27.995 -6.753 6.755 763 H HIS 95 HN HIS 95 23.918 -5.449 13.021 764 HA HIS 95 HA HIS 95 24.602 -4.228 14.812 765 HB2 HIS 95 2HB HIS 95 26.010 -6.563 14.954 766 HB3 HIS 95 3HB HIS 95 27.311 -5.377 14.952 767 HD1 HIS 95 1HD HIS 95 27.213 -3.562 16.916 768 HD2 HIS 95 2HD HIS 95 24.696 -6.840 17.340 769 HE1 HIS 95 1HE HIS 95 26.529 -3.576 19.336 770 HE2 HIS 95 2HE HIS 95 25.073 -5.616 19.587 Start of MODEL 14 1 H1 MET 1 1H MET 1 4.547 -14.486 -4.637 2 H2 MET 1 2H MET 1 3.973 -13.981 -3.100 3 H3 MET 1 3H MET 1 5.609 -14.459 -3.293 4 HA MET 1 HA MET 1 5.157 -12.033 -3.153 5 HB2 MET 1 2HB MET 1 7.072 -13.510 -4.376 6 HB3 MET 1 3HB MET 1 6.490 -12.566 -5.742 7 HG2 MET 1 2HG MET 1 6.763 -10.591 -3.988 8 HG3 MET 1 3HG MET 1 7.953 -11.705 -3.318 9 HE1 MET 1 2HE MET 1 10.826 -11.726 -5.233 10 HE2 MET 1 3HE MET 1 10.589 -10.229 -4.330 11 HE3 MET 1 1HE MET 1 9.961 -11.749 -3.697 12 H GLN 2 HN GLN 2 2.649 -12.937 -4.162 13 HA GLN 2 HA GLN 2 2.265 -10.964 -6.305 14 HB2 GLN 2 2HB GLN 2 1.779 -13.827 -6.425 15 HB3 GLN 2 3HB GLN 2 0.320 -12.908 -6.764 16 HG2 GLN 2 2HG GLN 2 2.718 -11.942 -8.142 17 HG3 GLN 2 3HG GLN 2 2.208 -13.567 -8.594 18 HE21 GLN 2 1HE2 GLN 2 0.990 -13.561 -10.329 19 HE22 GLN 2 2HE2 GLN 2 -0.187 -12.370 -10.750 20 H LEU 3 HN LEU 3 1.355 -9.425 -4.988 21 HA LEU 3 HA LEU 3 -0.579 -9.975 -3.004 22 HB2 LEU 3 2HB LEU 3 -0.816 -7.601 -2.806 23 HB3 LEU 3 3HB LEU 3 0.881 -7.976 -3.033 24 HG LEU 3 HG LEU 3 -0.718 -7.272 -5.444 25 HD11 LEU 3 1HD1 LEU 3 -1.480 -5.461 -4.270 26 HD12 LEU 3 2HD1 LEU 3 -0.085 -5.431 -3.194 27 HD13 LEU 3 3HD1 LEU 3 0.063 -4.836 -4.847 28 HD21 LEU 3 3HD2 LEU 3 1.418 -7.672 -6.100 29 HD22 LEU 3 1HD2 LEU 3 1.593 -5.970 -5.672 30 HD23 LEU 3 2HD2 LEU 3 2.102 -7.221 -4.538 31 H ASN 4 HN ASN 4 -2.796 -9.258 -2.973 32 HA ASN 4 HA ASN 4 -4.078 -9.149 -5.613 33 HB2 ASN 4 2HB ASN 4 -4.575 -11.081 -3.395 34 HB3 ASN 4 3HB ASN 4 -5.966 -10.502 -4.305 35 HD21 ASN 4 1HD2 ASN 4 -5.229 -13.154 -4.292 36 HD22 ASN 4 2HD2 ASN 4 -4.667 -13.597 -5.865 37 H ILE 5 HN ILE 5 -6.077 -8.013 -5.665 38 HA ILE 5 HA ILE 5 -6.431 -6.212 -3.361 39 HB ILE 5 HB ILE 5 -7.356 -5.711 -6.187 40 HG12 ILE 5 2HG1 ILE 5 -4.848 -4.725 -4.811 41 HG13 ILE 5 3HG1 ILE 5 -4.904 -5.894 -6.126 42 HG21 ILE 5 1HG2 ILE 5 -7.115 -3.290 -5.112 43 HG22 ILE 5 2HG2 ILE 5 -8.590 -4.248 -4.967 44 HG23 ILE 5 3HG2 ILE 5 -7.429 -4.205 -3.638 45 HD11 ILE 5 3HD1 ILE 5 -5.480 -4.290 -7.691 46 HD12 ILE 5 1HD1 ILE 5 -6.068 -3.164 -6.467 47 HD13 ILE 5 2HD1 ILE 5 -4.335 -3.442 -6.652 48 H THR 6 HN THR 6 -8.450 -5.798 -2.531 49 HA THR 6 HA THR 6 -10.751 -7.194 -3.668 50 HB THR 6 HB THR 6 -10.115 -7.364 -0.722 51 HG1 THR 6 1HG THR 6 -8.804 -8.915 -1.176 52 HG21 THR 6 3HG2 THR 6 -12.492 -7.749 -1.812 53 HG22 THR 6 1HG2 THR 6 -11.895 -8.741 -0.480 54 HG23 THR 6 2HG2 THR 6 -11.803 -9.341 -2.136 55 H GLY 7 HN GLY 7 -12.311 -5.718 -3.901 56 HA2 GLY 7 2HA GLY 7 -12.283 -3.395 -2.087 57 HA3 GLY 7 3HA GLY 7 -12.925 -3.387 -3.720 58 H ASN 8 HN ASN 8 -14.171 -2.537 -1.256 59 HA ASN 8 HA ASN 8 -16.522 -4.308 -1.312 60 HB2 ASN 8 2HB ASN 8 -16.913 -3.450 1.090 61 HB3 ASN 8 3HB ASN 8 -15.680 -4.682 0.850 62 HD21 ASN 8 1HD2 ASN 8 -15.272 -3.599 3.069 63 HD22 ASN 8 2HD2 ASN 8 -14.082 -2.348 3.060 64 H ASN 9 HN ASN 9 -18.018 -3.241 -2.442 65 HA ASN 9 HA ASN 9 -19.518 -1.631 -3.038 66 HB2 ASN 9 2HB ASN 9 -19.483 -1.298 -0.439 67 HB3 ASN 9 3HB ASN 9 -18.588 0.168 -0.824 68 HD21 ASN 9 1HD2 ASN 9 -21.622 -1.516 -1.183 69 HD22 ASN 9 2HD2 ASN 9 -22.564 -0.131 -1.610 70 H VAL 10 HN VAL 10 -16.906 -1.705 -4.148 71 HA VAL 10 HA VAL 10 -16.812 0.962 -5.251 72 HB VAL 10 HB VAL 10 -15.293 1.167 -3.332 73 HG11 VAL 10 1HG1 VAL 10 -13.270 -0.601 -4.544 74 HG12 VAL 10 2HG1 VAL 10 -13.617 -0.260 -2.848 75 HG13 VAL 10 3HG1 VAL 10 -14.628 -1.395 -3.745 76 HG21 VAL 10 3HG2 VAL 10 -13.836 2.456 -4.482 77 HG22 VAL 10 1HG2 VAL 10 -13.399 1.160 -5.594 78 HG23 VAL 10 2HG2 VAL 10 -14.895 2.061 -5.838 79 H GLU 11 HN GLU 11 -16.094 0.992 -7.343 80 HA GLU 11 HA GLU 11 -15.618 -1.611 -8.556 81 HB2 GLU 11 2HB GLU 11 -16.865 0.829 -9.373 82 HB3 GLU 11 3HB GLU 11 -15.573 0.456 -10.505 83 HG2 GLU 11 2HG GLU 11 -17.397 -0.603 -11.435 84 HG3 GLU 11 3HG GLU 11 -16.600 -1.905 -10.555 85 H ILE 12 HN ILE 12 -13.657 -2.332 -9.025 86 HA ILE 12 HA ILE 12 -11.333 -0.696 -8.682 87 HB ILE 12 HB ILE 12 -11.611 -3.507 -9.754 88 HG12 ILE 12 2HG1 ILE 12 -12.275 -3.035 -7.344 89 HG13 ILE 12 3HG1 ILE 12 -11.036 -4.263 -7.577 90 HG21 ILE 12 1HG2 ILE 12 -9.568 -2.682 -10.607 91 HG22 ILE 12 2HG2 ILE 12 -9.169 -1.883 -9.087 92 HG23 ILE 12 3HG2 ILE 12 -9.151 -3.644 -9.188 93 HD11 ILE 12 3HD1 ILE 12 -9.810 -1.696 -7.258 94 HD12 ILE 12 1HD1 ILE 12 -10.928 -2.006 -5.930 95 HD13 ILE 12 2HD1 ILE 12 -9.634 -3.152 -6.280 96 H THR 13 HN THR 13 -10.562 0.666 -10.144 97 HA THR 13 HA THR 13 -11.072 0.123 -12.993 98 HB THR 13 HB THR 13 -10.441 2.660 -13.145 99 HG1 THR 13 1HG THR 13 -9.838 2.815 -10.929 100 HG21 THR 13 3HG2 THR 13 -13.008 2.656 -11.823 101 HG22 THR 13 1HG2 THR 13 -12.866 1.347 -12.997 102 HG23 THR 13 2HG2 THR 13 -12.595 3.016 -13.500 103 H GLU 14 HN GLU 14 -9.409 -0.012 -14.406 104 HA GLU 14 HA GLU 14 -6.977 -0.923 -13.864 105 HB2 GLU 14 2HB GLU 14 -8.193 0.049 -16.126 106 HB3 GLU 14 3HB GLU 14 -6.785 1.092 -15.979 107 HG2 GLU 14 2HG GLU 14 -5.304 -0.773 -16.037 108 HG3 GLU 14 3HG GLU 14 -6.646 -1.910 -15.919 109 H ALA 15 HN ALA 15 -7.712 2.558 -13.931 110 HA ALA 15 HA ALA 15 -5.067 3.408 -13.399 111 HB1 ALA 15 1HB ALA 15 -7.740 4.659 -13.448 112 HB2 ALA 15 2HB ALA 15 -6.513 5.472 -12.476 113 HB3 ALA 15 3HB ALA 15 -6.228 5.178 -14.192 114 H LEU 16 HN LEU 16 -7.886 2.929 -11.288 115 HA LEU 16 HA LEU 16 -6.754 3.744 -8.883 116 HB2 LEU 16 2HB LEU 16 -9.122 3.297 -9.104 117 HB3 LEU 16 3HB LEU 16 -8.808 1.601 -9.421 118 HG LEU 16 HG LEU 16 -7.613 1.971 -6.970 119 HD11 LEU 16 1HD1 LEU 16 -9.867 3.880 -7.286 120 HD12 LEU 16 2HD1 LEU 16 -9.718 3.008 -5.762 121 HD13 LEU 16 3HD1 LEU 16 -8.390 4.018 -6.333 122 HD21 LEU 16 3HD2 LEU 16 -10.232 0.883 -7.895 123 HD22 LEU 16 1HD2 LEU 16 -8.828 0.040 -7.241 124 HD23 LEU 16 2HD2 LEU 16 -9.886 0.954 -6.169 125 H ARG 17 HN ARG 17 -7.234 0.347 -9.821 126 HA ARG 17 HA ARG 17 -5.667 -0.866 -7.933 127 HB2 ARG 17 2HB ARG 17 -5.482 -2.763 -9.392 128 HB3 ARG 17 3HB ARG 17 -7.066 -2.043 -9.632 129 HG2 ARG 17 2HG ARG 17 -6.418 -2.463 -11.788 130 HG3 ARG 17 3HG ARG 17 -5.898 -0.789 -11.591 131 HD2 ARG 17 2HD ARG 17 -3.813 -1.373 -12.074 132 HD3 ARG 17 3HD ARG 17 -3.791 -2.471 -10.697 133 HE ARG 17 HE ARG 17 -4.221 -3.158 -13.483 134 HH11 ARG 17 2HH1 ARG 17 -4.368 -4.205 -10.152 135 HH12 ARG 17 1HH1 ARG 17 -4.336 -5.888 -10.552 136 HH21 ARG 17 2HH2 ARG 17 -4.179 -5.371 -14.004 137 HH22 ARG 17 1HH2 ARG 17 -4.229 -6.551 -12.738 138 H GLU 18 HN GLU 18 -4.620 0.629 -10.945 139 HA GLU 18 HA GLU 18 -1.946 -0.164 -10.949 140 HB2 GLU 18 2HB GLU 18 -3.494 2.084 -12.125 141 HB3 GLU 18 3HB GLU 18 -1.748 2.277 -12.056 142 HG2 GLU 18 2HG GLU 18 -1.470 0.192 -13.296 143 HG3 GLU 18 3HG GLU 18 -3.220 0.002 -13.369 144 H PHE 19 HN PHE 19 -3.482 2.673 -9.465 145 HA PHE 19 HA PHE 19 -1.202 3.917 -8.473 146 HB2 PHE 19 2HB PHE 19 -3.493 4.898 -8.501 147 HB3 PHE 19 3HB PHE 19 -3.924 3.846 -7.156 148 HD1 PHE 19 2HD PHE 19 -1.624 6.573 -8.162 149 HD2 PHE 19 1HD PHE 19 -3.471 4.474 -4.955 150 HE1 PHE 19 2HE PHE 19 -0.787 8.262 -6.580 151 HE2 PHE 19 1HE PHE 19 -2.637 6.158 -3.367 152 HZ PHE 19 HZ PHE 19 -1.294 8.054 -4.179 153 H VAL 20 HN VAL 20 -3.270 1.466 -6.931 154 HA VAL 20 HA VAL 20 -1.928 1.370 -4.472 155 HB VAL 20 HB VAL 20 -3.215 -1.028 -5.765 156 HG11 VAL 20 1HG1 VAL 20 -2.363 -1.776 -3.780 157 HG12 VAL 20 2HG1 VAL 20 -2.504 -0.202 -2.999 158 HG13 VAL 20 3HG1 VAL 20 -3.939 -1.199 -3.236 159 HG21 VAL 20 3HG2 VAL 20 -4.864 0.602 -6.081 160 HG22 VAL 20 1HG2 VAL 20 -5.306 -0.166 -4.557 161 HG23 VAL 20 2HG2 VAL 20 -4.497 1.401 -4.553 162 H THR 21 HN THR 21 -1.546 -0.708 -7.343 163 HA THR 21 HA THR 21 0.587 -2.232 -6.342 164 HB THR 21 HB THR 21 0.264 -1.583 -9.262 165 HG1 THR 21 1HG THR 21 -1.785 -2.069 -8.789 166 HG21 THR 21 3HG2 THR 21 0.610 -4.136 -9.341 167 HG22 THR 21 1HG2 THR 21 1.242 -3.935 -7.706 168 HG23 THR 21 2HG2 THR 21 1.999 -3.088 -9.055 169 H ALA 22 HN ALA 22 0.465 0.905 -7.864 170 HA ALA 22 HA ALA 22 3.172 1.165 -8.576 171 HB1 ALA 22 1HB ALA 22 2.512 3.713 -8.074 172 HB2 ALA 22 2HB ALA 22 2.005 2.854 -9.528 173 HB3 ALA 22 3HB ALA 22 0.898 3.006 -8.164 174 H LYS 23 HN LYS 23 1.441 2.105 -5.617 175 HA LYS 23 HA LYS 23 3.626 3.219 -4.263 176 HB2 LYS 23 2HB LYS 23 1.232 1.800 -3.079 177 HB3 LYS 23 3HB LYS 23 2.306 2.899 -2.225 178 HG2 LYS 23 2HG LYS 23 0.513 3.617 -4.535 179 HG3 LYS 23 3HG LYS 23 0.230 3.999 -2.835 180 HD2 LYS 23 2HD LYS 23 1.447 5.850 -3.026 181 HD3 LYS 23 3HD LYS 23 2.840 4.903 -3.552 182 HE2 LYS 23 2HE LYS 23 1.334 4.931 -5.812 183 HE3 LYS 23 3HE LYS 23 0.935 6.501 -5.116 184 HZ1 LYS 23 3HZ LYS 23 3.002 7.281 -5.468 185 HZ2 LYS 23 1HZ LYS 23 3.053 6.080 -6.658 186 HZ3 LYS 23 2HZ LYS 23 3.754 5.801 -5.145 187 H PHE 24 HN PHE 24 2.184 -0.017 -3.810 188 HA PHE 24 HA PHE 24 4.110 -1.060 -2.118 189 HB2 PHE 24 2HB PHE 24 2.152 -2.234 -4.028 190 HB3 PHE 24 3HB PHE 24 3.425 -3.290 -3.425 191 HD1 PHE 24 2HD PHE 24 3.619 -3.726 -0.999 192 HD2 PHE 24 1HD PHE 24 0.350 -1.557 -2.648 193 HE1 PHE 24 2HE PHE 24 2.339 -4.088 1.071 194 HE2 PHE 24 1HE PHE 24 -0.935 -1.915 -0.581 195 HZ PHE 24 HZ PHE 24 0.058 -3.184 1.281 196 H ALA 25 HN ALA 25 4.045 -0.985 -5.656 197 HA ALA 25 HA ALA 25 6.256 -2.530 -6.237 198 HB1 ALA 25 1HB ALA 25 5.391 0.001 -7.633 199 HB2 ALA 25 2HB ALA 25 6.454 -1.235 -8.303 200 HB3 ALA 25 3HB ALA 25 4.769 -1.619 -7.948 201 H LYS 26 HN LYS 26 6.202 1.001 -5.706 202 HA LYS 26 HA LYS 26 8.929 1.466 -5.866 203 HB2 LYS 26 2HB LYS 26 6.840 3.066 -5.512 204 HB3 LYS 26 3HB LYS 26 7.343 2.962 -3.830 205 HG2 LYS 26 2HG LYS 26 9.481 3.540 -5.771 206 HG3 LYS 26 3HG LYS 26 8.261 4.798 -5.563 207 HD2 LYS 26 2HD LYS 26 9.222 3.626 -3.054 208 HD3 LYS 26 3HD LYS 26 10.465 4.468 -3.983 209 HE2 LYS 26 2HE LYS 26 7.793 5.727 -3.477 210 HE3 LYS 26 3HE LYS 26 9.075 5.806 -2.270 211 HZ1 LYS 26 3HZ LYS 26 9.000 7.742 -3.781 212 HZ2 LYS 26 1HZ LYS 26 9.373 6.721 -5.079 213 HZ3 LYS 26 2HZ LYS 26 10.482 6.929 -3.819 214 H LEU 27 HN LEU 27 7.035 0.089 -3.282 215 HA LEU 27 HA LEU 27 9.127 0.301 -1.313 216 HB2 LEU 27 2HB LEU 27 6.446 -1.034 -1.405 217 HB3 LEU 27 3HB LEU 27 7.577 -1.416 -0.120 218 HG LEU 27 HG LEU 27 7.626 1.242 0.105 219 HD11 LEU 27 1HD1 LEU 27 6.157 1.856 -1.615 220 HD12 LEU 27 2HD1 LEU 27 5.000 0.594 -1.196 221 HD13 LEU 27 3HD1 LEU 27 5.205 1.989 -0.137 222 HD21 LEU 27 3HD2 LEU 27 5.376 -0.418 1.226 223 HD22 LEU 27 1HD2 LEU 27 7.035 -0.469 1.823 224 HD23 LEU 27 2HD2 LEU 27 6.102 1.023 1.935 225 H GLU 28 HN GLU 28 8.142 -1.947 -3.747 226 HA GLU 28 HA GLU 28 9.423 -4.258 -2.740 227 HB2 GLU 28 2HB GLU 28 8.041 -3.463 -5.165 228 HB3 GLU 28 3HB GLU 28 9.429 -4.483 -5.520 229 HG2 GLU 28 2HG GLU 28 8.144 -5.705 -3.365 230 HG3 GLU 28 3HG GLU 28 6.856 -5.191 -4.454 231 H GLN 29 HN GLN 29 10.665 -1.379 -4.049 232 HA GLN 29 HA GLN 29 13.003 -2.443 -5.293 233 HB2 GLN 29 2HB GLN 29 12.107 -0.238 -5.889 234 HB3 GLN 29 3HB GLN 29 12.441 0.343 -4.262 235 HG2 GLN 29 2HG GLN 29 14.241 1.158 -5.416 236 HG3 GLN 29 3HG GLN 29 14.884 -0.367 -4.807 237 HE21 GLN 29 1HE2 GLN 29 15.548 -1.883 -6.214 238 HE22 GLN 29 2HE2 GLN 29 15.466 -1.729 -7.934 239 H TYR 30 HN TYR 30 12.619 -0.547 -2.285 240 HA TYR 30 HA TYR 30 15.226 -1.384 -1.389 241 HB2 TYR 30 2HB TYR 30 14.357 -0.137 0.777 242 HB3 TYR 30 3HB TYR 30 14.898 0.752 -0.640 243 HD1 TYR 30 1HD TYR 30 11.957 -0.264 1.332 244 HD2 TYR 30 2HD TYR 30 13.351 2.028 -1.970 245 HE1 TYR 30 1HE TYR 30 9.807 0.920 1.254 246 HE2 TYR 30 2HE TYR 30 11.204 3.217 -2.057 247 HH TYR 30 HH TYR 30 8.656 2.483 -1.194 248 H PHE 31 HN PHE 31 11.945 -2.394 -0.874 249 HA PHE 31 HA PHE 31 12.908 -4.312 1.146 250 HB2 PHE 31 2HB PHE 31 10.357 -2.780 0.952 251 HB3 PHE 31 3HB PHE 31 10.298 -4.404 1.633 252 HD1 PHE 31 1HD PHE 31 12.916 -1.782 1.940 253 HD2 PHE 31 2HD PHE 31 9.954 -4.116 3.898 254 HE1 PHE 31 1HE PHE 31 13.677 -0.911 4.108 255 HE2 PHE 31 2HE PHE 31 10.704 -3.245 6.073 256 HZ PHE 31 HZ PHE 31 12.570 -1.643 6.178 257 H ASP 32 HN ASP 32 13.007 -6.331 0.478 258 HA ASP 32 HA ASP 32 11.314 -7.158 -1.781 259 HB2 ASP 32 2HB ASP 32 14.077 -7.852 -0.931 260 HB3 ASP 32 3HB ASP 32 13.124 -9.130 -1.679 261 H ARG 33 HN ARG 33 11.294 -7.328 1.476 262 HA ARG 33 HA ARG 33 10.671 -10.127 1.795 263 HB2 ARG 33 2HB ARG 33 10.202 -7.910 3.787 264 HB3 ARG 33 3HB ARG 33 10.360 -9.629 4.114 265 HG2 ARG 33 2HG ARG 33 12.591 -7.986 2.954 266 HG3 ARG 33 3HG ARG 33 12.349 -8.195 4.690 267 HD2 ARG 33 2HD ARG 33 13.389 -10.156 4.618 268 HD3 ARG 33 3HD ARG 33 12.224 -10.753 3.436 269 HE ARG 33 HE ARG 33 13.771 -10.408 1.781 270 HH11 ARG 33 2HH1 ARG 33 14.818 -8.767 4.676 271 HH12 ARG 33 1HH1 ARG 33 16.385 -8.387 4.046 272 HH21 ARG 33 2HH2 ARG 33 15.833 -9.911 0.948 273 HH22 ARG 33 1HH2 ARG 33 16.962 -9.035 1.928 274 H ILE 34 HN ILE 34 9.001 -9.578 -0.068 275 HA ILE 34 HA ILE 34 6.403 -9.287 1.272 276 HB ILE 34 HB ILE 34 7.011 -8.131 -1.450 277 HG12 ILE 34 2HG1 ILE 34 6.420 -6.488 0.993 278 HG13 ILE 34 3HG1 ILE 34 8.065 -7.020 0.667 279 HG21 ILE 34 1HG2 ILE 34 4.574 -8.626 0.054 280 HG22 ILE 34 2HG2 ILE 34 4.733 -6.944 -0.451 281 HG23 ILE 34 3HG2 ILE 34 4.793 -8.235 -1.651 282 HD11 ILE 34 3HD1 ILE 34 6.488 -5.599 -1.433 283 HD12 ILE 34 1HD1 ILE 34 7.306 -4.704 -0.153 284 HD13 ILE 34 2HD1 ILE 34 8.236 -5.730 -1.244 285 H ASN 35 HN ASN 35 5.443 -11.212 1.097 286 HA ASN 35 HA ASN 35 5.781 -12.724 -1.404 287 HB2 ASN 35 2HB ASN 35 4.894 -14.654 0.106 288 HB3 ASN 35 3HB ASN 35 6.570 -14.142 0.260 289 HD21 ASN 35 1HD2 ASN 35 7.085 -12.669 2.006 290 HD22 ASN 35 2HD2 ASN 35 6.175 -12.747 3.473 291 H GLN 36 HN GLN 36 3.348 -12.287 1.177 292 HA GLN 36 HA GLN 36 1.286 -12.231 -0.926 293 HB2 GLN 36 2HB GLN 36 1.559 -14.219 0.966 294 HB3 GLN 36 3HB GLN 36 0.360 -13.160 1.691 295 HG2 GLN 36 2HG GLN 36 -0.853 -14.750 0.477 296 HG3 GLN 36 3HG GLN 36 -0.883 -13.286 -0.505 297 HE21 GLN 36 1HE2 GLN 36 0.185 -13.240 -2.451 298 HE22 GLN 36 2HE2 GLN 36 0.831 -14.656 -3.203 299 H VAL 37 HN VAL 37 0.354 -10.305 -1.011 300 HA VAL 37 HA VAL 37 -0.117 -8.861 1.510 301 HB VAL 37 HB VAL 37 0.593 -7.522 -1.099 302 HG11 VAL 37 1HG1 VAL 37 -0.314 -5.771 -0.052 303 HG12 VAL 37 2HG1 VAL 37 -0.348 -6.604 1.500 304 HG13 VAL 37 3HG1 VAL 37 1.123 -5.791 0.968 305 HG21 VAL 37 3HG2 VAL 37 2.330 -8.175 1.274 306 HG22 VAL 37 1HG2 VAL 37 2.547 -8.697 -0.397 307 HG23 VAL 37 2HG2 VAL 37 2.764 -7.000 0.033 308 H TYR 38 HN TYR 38 -2.118 -8.055 1.783 309 HA TYR 38 HA TYR 38 -3.920 -7.989 -0.535 310 HB2 TYR 38 2HB TYR 38 -5.715 -8.691 1.266 311 HB3 TYR 38 3HB TYR 38 -4.760 -9.905 0.424 312 HD1 TYR 38 1HD TYR 38 -2.543 -10.630 1.638 313 HD2 TYR 38 2HD TYR 38 -5.836 -8.753 3.575 314 HE1 TYR 38 1HE TYR 38 -1.776 -11.522 3.796 315 HE2 TYR 38 2HE TYR 38 -5.076 -9.640 5.738 316 HH TYR 38 HH TYR 38 -3.708 -11.448 6.610 317 H VAL 39 HN VAL 39 -5.370 -6.327 -0.594 318 HA VAL 39 HA VAL 39 -5.406 -4.468 1.683 319 HB VAL 39 HB VAL 39 -5.146 -3.523 -1.169 320 HG11 VAL 39 1HG1 VAL 39 -4.915 -1.370 -0.293 321 HG12 VAL 39 2HG1 VAL 39 -6.214 -2.082 0.662 322 HG13 VAL 39 3HG1 VAL 39 -4.588 -1.967 1.333 323 HG21 VAL 39 3HG2 VAL 39 -3.128 -4.789 -0.328 324 HG22 VAL 39 1HG2 VAL 39 -2.837 -3.122 -0.826 325 HG23 VAL 39 2HG2 VAL 39 -2.949 -3.524 0.889 326 H VAL 40 HN VAL 40 -7.288 -3.320 1.977 327 HA VAL 40 HA VAL 40 -9.459 -3.716 0.048 328 HB VAL 40 HB VAL 40 -9.881 -4.087 3.017 329 HG11 VAL 40 1HG1 VAL 40 -11.765 -5.175 1.029 330 HG12 VAL 40 2HG1 VAL 40 -12.073 -4.371 2.568 331 HG13 VAL 40 3HG1 VAL 40 -11.691 -3.416 1.135 332 HG21 VAL 40 3HG2 VAL 40 -8.437 -5.868 1.910 333 HG22 VAL 40 1HG2 VAL 40 -9.886 -6.424 2.745 334 HG23 VAL 40 2HG2 VAL 40 -9.873 -6.304 0.985 335 H LEU 41 HN LEU 41 -10.680 -2.001 -0.263 336 HA LEU 41 HA LEU 41 -10.479 0.240 1.616 337 HB2 LEU 41 2HB LEU 41 -10.635 1.634 -0.617 338 HB3 LEU 41 3HB LEU 41 -9.099 1.093 0.029 339 HG LEU 41 HG LEU 41 -9.266 0.778 -2.406 340 HD11 LEU 41 1HD1 LEU 41 -8.274 -0.983 -0.550 341 HD12 LEU 41 2HD1 LEU 41 -9.205 -2.012 -1.638 342 HD13 LEU 41 3HD1 LEU 41 -7.926 -0.980 -2.279 343 HD21 LEU 41 3HD2 LEU 41 -11.323 -1.340 -1.874 344 HD22 LEU 41 1HD2 LEU 41 -11.749 0.303 -2.352 345 HD23 LEU 41 2HD2 LEU 41 -10.780 -0.704 -3.426 346 H LYS 42 HN LYS 42 -12.378 0.954 2.275 347 HA LYS 42 HA LYS 42 -14.771 0.232 0.742 348 HB2 LYS 42 2HB LYS 42 -14.858 -0.529 3.015 349 HB3 LYS 42 3HB LYS 42 -14.389 1.054 3.623 350 HG2 LYS 42 2HG LYS 42 -16.500 1.993 2.945 351 HG3 LYS 42 3HG LYS 42 -16.965 0.476 2.174 352 HD2 LYS 42 2HD LYS 42 -18.032 0.743 4.365 353 HD3 LYS 42 3HD LYS 42 -16.944 -0.647 4.336 354 HE2 LYS 42 2HE LYS 42 -15.205 0.726 5.414 355 HE3 LYS 42 3HE LYS 42 -16.338 2.076 5.484 356 HZ1 LYS 42 3HZ LYS 42 -17.254 -0.431 6.640 357 HZ2 LYS 42 1HZ LYS 42 -17.467 1.155 7.187 358 HZ3 LYS 42 2HZ LYS 42 -16.005 0.352 7.469 359 H VAL 43 HN VAL 43 -16.246 1.748 0.067 360 HA VAL 43 HA VAL 43 -15.435 4.567 0.377 361 HB VAL 43 HB VAL 43 -16.790 3.398 -2.053 362 HG11 VAL 43 1HG1 VAL 43 -17.253 5.745 -1.751 363 HG12 VAL 43 2HG1 VAL 43 -15.540 6.088 -1.510 364 HG13 VAL 43 3HG1 VAL 43 -16.116 5.545 -3.085 365 HG21 VAL 43 3HG2 VAL 43 -14.563 3.755 -3.152 366 HG22 VAL 43 1HG2 VAL 43 -13.880 3.984 -1.542 367 HG23 VAL 43 2HG2 VAL 43 -14.609 2.439 -1.978 368 H GLU 44 HN GLU 44 -16.839 5.405 1.786 369 HA GLU 44 HA GLU 44 -19.708 5.008 1.254 370 HB2 GLU 44 2HB GLU 44 -19.959 5.472 3.780 371 HB3 GLU 44 3HB GLU 44 -19.423 3.877 3.275 372 HG2 GLU 44 2HG GLU 44 -17.108 4.509 3.746 373 HG3 GLU 44 3HG GLU 44 -17.659 6.103 4.266 374 H LYS 45 HN LYS 45 -21.073 6.801 1.688 375 HA LYS 45 HA LYS 45 -20.183 9.241 0.768 376 HB2 LYS 45 2HB LYS 45 -22.573 8.398 1.010 377 HB3 LYS 45 3HB LYS 45 -22.495 8.956 2.676 378 HG2 LYS 45 2HG LYS 45 -21.637 10.985 0.783 379 HG3 LYS 45 3HG LYS 45 -23.288 10.434 0.495 380 HD2 LYS 45 2HD LYS 45 -23.656 10.769 2.998 381 HD3 LYS 45 3HD LYS 45 -22.131 11.658 2.985 382 HE2 LYS 45 2HE LYS 45 -24.360 12.328 1.091 383 HE3 LYS 45 3HE LYS 45 -24.306 12.992 2.724 384 HZ1 LYS 45 3HZ LYS 45 -22.441 13.444 0.484 385 HZ2 LYS 45 1HZ LYS 45 -21.943 13.699 2.080 386 HZ3 LYS 45 2HZ LYS 45 -23.240 14.582 1.447 387 H VAL 46 HN VAL 46 -19.851 7.935 3.949 388 HA VAL 46 HA VAL 46 -19.463 10.510 5.202 389 HB VAL 46 HB VAL 46 -18.989 7.752 6.332 390 HG11 VAL 46 1HG1 VAL 46 -18.705 10.482 7.418 391 HG12 VAL 46 2HG1 VAL 46 -19.507 9.306 8.459 392 HG13 VAL 46 3HG1 VAL 46 -17.877 8.989 7.864 393 HG21 VAL 46 3HG2 VAL 46 -21.376 8.670 5.547 394 HG22 VAL 46 1HG2 VAL 46 -21.160 7.638 6.960 395 HG23 VAL 46 2HG2 VAL 46 -21.308 9.384 7.157 396 H THR 47 HN THR 47 -17.291 7.748 5.652 397 HA THR 47 HA THR 47 -15.063 9.426 4.717 398 HB THR 47 HB THR 47 -14.605 7.561 6.995 399 HG1 THR 47 1HG THR 47 -15.809 10.113 7.262 400 HG21 THR 47 3HG2 THR 47 -12.727 8.803 6.052 401 HG22 THR 47 1HG2 THR 47 -13.049 9.265 7.724 402 HG23 THR 47 2HG2 THR 47 -13.559 10.319 6.404 403 H HIS 48 HN HIS 48 -13.236 8.316 3.905 404 HA HIS 48 HA HIS 48 -13.894 5.685 2.817 405 HB2 HIS 48 2HB HIS 48 -11.568 7.509 2.165 406 HB3 HIS 48 3HB HIS 48 -12.027 6.053 1.288 407 HD1 HIS 48 1HD HIS 48 -12.766 6.950 -0.916 408 HD2 HIS 48 2HD HIS 48 -14.442 9.025 2.271 409 HE1 HIS 48 1HE HIS 48 -14.431 8.530 -1.944 410 HE2 HIS 48 2HE HIS 48 -15.363 9.842 -0.005 411 H THR 49 HN THR 49 -12.935 3.845 3.466 412 HA THR 49 HA THR 49 -10.658 4.095 5.328 413 HB THR 49 HB THR 49 -12.836 2.001 5.383 414 HG1 THR 49 1HG THR 49 -13.570 4.044 6.070 415 HG21 THR 49 3HG2 THR 49 -11.315 0.854 6.550 416 HG22 THR 49 1HG2 THR 49 -11.714 1.987 7.842 417 HG23 THR 49 2HG2 THR 49 -10.303 2.273 6.822 418 H SER 50 HN SER 50 -8.948 2.747 5.108 419 HA SER 50 HA SER 50 -9.054 0.641 3.073 420 HB2 SER 50 2HB SER 50 -7.166 1.403 1.896 421 HB3 SER 50 3HB SER 50 -8.095 2.874 2.181 422 HG SER 50 HG SER 50 -6.446 3.611 3.232 423 H ASP 51 HN ASP 51 -7.718 -1.108 3.474 424 HA ASP 51 HA ASP 51 -6.091 -0.970 5.922 425 HB2 ASP 51 2HB ASP 51 -6.819 -3.291 6.454 426 HB3 ASP 51 3HB ASP 51 -8.132 -2.120 6.512 427 H ALA 52 HN ALA 52 -4.241 -2.233 5.993 428 HA ALA 52 HA ALA 52 -3.512 -3.654 3.527 429 HB1 ALA 52 1HB ALA 52 -1.735 -1.685 4.962 430 HB2 ALA 52 2HB ALA 52 -1.285 -2.661 3.565 431 HB3 ALA 52 3HB ALA 52 -2.527 -1.419 3.409 432 H THR 53 HN THR 53 -2.271 -5.452 3.793 433 HA THR 53 HA THR 53 -1.224 -6.065 6.456 434 HB THR 53 HB THR 53 -2.654 -8.258 5.041 435 HG1 THR 53 1HG THR 53 -3.952 -6.232 6.537 436 HG21 THR 53 3HG2 THR 53 -3.134 -9.057 7.232 437 HG22 THR 53 1HG2 THR 53 -2.563 -7.555 7.959 438 HG23 THR 53 2HG2 THR 53 -1.423 -8.637 7.162 439 H LEU 54 HN LEU 54 0.896 -6.225 5.978 440 HA LEU 54 HA LEU 54 1.696 -7.663 3.557 441 HB2 LEU 54 2HB LEU 54 3.022 -5.696 5.371 442 HB3 LEU 54 3HB LEU 54 4.024 -6.798 4.445 443 HG LEU 54 HG LEU 54 2.002 -5.470 2.805 444 HD11 LEU 54 1HD1 LEU 54 2.806 -3.799 4.707 445 HD12 LEU 54 2HD1 LEU 54 4.183 -3.635 3.616 446 HD13 LEU 54 3HD1 LEU 54 2.554 -3.281 3.039 447 HD21 LEU 54 3HD2 LEU 54 3.610 -5.626 1.234 448 HD22 LEU 54 1HD2 LEU 54 4.884 -5.093 2.330 449 HD23 LEU 54 2HD2 LEU 54 4.328 -6.766 2.372 450 H HIS 55 HN HIS 55 2.996 -9.474 3.596 451 HA HIS 55 HA HIS 55 3.045 -10.904 6.141 452 HB2 HIS 55 2HB HIS 55 3.204 -11.711 3.267 453 HB3 HIS 55 3HB HIS 55 3.907 -12.773 4.482 454 HD1 HIS 55 1HD HIS 55 2.298 -14.613 4.833 455 HD2 HIS 55 2HD HIS 55 0.391 -10.935 4.532 456 HE1 HIS 55 1HE HIS 55 -0.137 -15.083 5.249 457 HE2 HIS 55 2HE HIS 55 -1.250 -12.824 5.187 458 H VAL 56 HN VAL 56 4.805 -10.830 7.348 459 HA VAL 56 HA VAL 56 7.363 -10.078 6.174 460 HB VAL 56 HB VAL 56 7.059 -10.714 9.080 461 HG11 VAL 56 1HG1 VAL 56 8.826 -9.104 7.345 462 HG12 VAL 56 2HG1 VAL 56 8.484 -8.449 8.946 463 HG13 VAL 56 3HG1 VAL 56 9.201 -10.052 8.785 464 HG21 VAL 56 3HG2 VAL 56 5.242 -9.357 9.131 465 HG22 VAL 56 1HG2 VAL 56 6.484 -8.107 9.151 466 HG23 VAL 56 2HG2 VAL 56 5.681 -8.526 7.639 467 H ASN 57 HN ASN 57 9.338 -11.270 7.051 468 HA ASN 57 HA ASN 57 9.457 -13.835 6.103 469 HB2 ASN 57 2HB ASN 57 11.103 -12.623 8.334 470 HB3 ASN 57 3HB ASN 57 11.518 -14.101 7.470 471 HD21 ASN 57 1HD2 ASN 57 13.060 -13.767 6.058 472 HD22 ASN 57 2HD2 ASN 57 13.255 -12.366 5.068 473 H GLY 58 HN GLY 58 9.187 -12.952 9.556 474 HA2 GLY 58 2HA GLY 58 8.180 -15.675 10.067 475 HA3 GLY 58 3HA GLY 58 8.963 -14.654 11.262 476 H GLY 59 HN GLY 59 7.630 -12.285 11.023 477 HA2 GLY 59 2HA GLY 59 4.991 -13.043 12.045 478 HA3 GLY 59 3HA GLY 59 5.798 -11.505 12.308 479 H GLU 60 HN GLU 60 3.504 -10.846 11.737 480 HA GLU 60 HA GLU 60 3.456 -10.179 8.889 481 HB2 GLU 60 2HB GLU 60 1.118 -11.361 10.397 482 HB3 GLU 60 3HB GLU 60 1.016 -10.653 8.793 483 HG2 GLU 60 2HG GLU 60 2.387 -12.357 7.863 484 HG3 GLU 60 3HG GLU 60 2.791 -12.983 9.462 485 H ILE 61 HN ILE 61 2.731 -8.139 8.463 486 HA ILE 61 HA ILE 61 2.035 -6.503 10.797 487 HB ILE 61 HB ILE 61 2.779 -5.493 8.056 488 HG12 ILE 61 2HG1 ILE 61 4.814 -5.333 10.174 489 HG13 ILE 61 3HG1 ILE 61 4.478 -6.971 9.622 490 HG21 ILE 61 1HG2 ILE 61 1.642 -3.896 9.487 491 HG22 ILE 61 2HG2 ILE 61 2.806 -4.198 10.778 492 HG23 ILE 61 3HG2 ILE 61 3.334 -3.440 9.276 493 HD11 ILE 61 3HD1 ILE 61 4.712 -5.746 7.256 494 HD12 ILE 61 1HD1 ILE 61 5.775 -4.728 8.227 495 HD13 ILE 61 2HD1 ILE 61 6.071 -6.462 8.120 496 H HIS 62 HN HIS 62 0.111 -5.483 10.983 497 HA HIS 62 HA HIS 62 -1.693 -5.457 8.673 498 HB2 HIS 62 2HB HIS 62 -2.168 -7.389 10.279 499 HB3 HIS 62 3HB HIS 62 -2.656 -6.162 11.443 500 HD1 HIS 62 1HD HIS 62 -4.800 -8.055 10.718 501 HD2 HIS 62 2HD HIS 62 -4.029 -4.665 8.442 502 HE1 HIS 62 1HE HIS 62 -6.927 -7.593 9.459 503 HE2 HIS 62 2HE HIS 62 -6.411 -5.583 8.028 504 H ALA 63 HN ALA 63 -2.074 -3.364 8.291 505 HA ALA 63 HA ALA 63 -2.807 -1.657 10.564 506 HB1 ALA 63 1HB ALA 63 -0.841 -0.609 10.384 507 HB2 ALA 63 2HB ALA 63 -0.496 -1.333 8.814 508 HB3 ALA 63 3HB ALA 63 -1.507 0.109 8.918 509 H SER 64 HN SER 64 -3.875 0.404 9.824 510 HA SER 64 HA SER 64 -5.190 0.166 7.227 511 HB2 SER 64 2HB SER 64 -7.349 0.902 8.549 512 HB3 SER 64 3HB SER 64 -6.913 -0.803 8.437 513 HG SER 64 HG SER 64 -6.906 -0.759 10.529 514 H ALA 65 HN ALA 65 -6.098 2.149 6.456 515 HA ALA 65 HA ALA 65 -5.436 4.556 7.982 516 HB1 ALA 65 1HB ALA 65 -3.518 3.955 6.461 517 HB2 ALA 65 2HB ALA 65 -4.597 4.288 5.106 518 HB3 ALA 65 3HB ALA 65 -4.191 5.571 6.246 519 H GLU 66 HN GLU 66 -6.476 6.480 7.196 520 HA GLU 66 HA GLU 66 -8.756 5.989 5.405 521 HB2 GLU 66 2HB GLU 66 -8.760 7.028 8.192 522 HB3 GLU 66 3HB GLU 66 -9.864 7.780 7.050 523 HG2 GLU 66 2HG GLU 66 -11.216 5.994 6.982 524 HG3 GLU 66 3HG GLU 66 -9.877 4.847 7.029 525 H GLY 67 HN GLY 67 -9.620 7.932 4.396 526 HA2 GLY 67 2HA GLY 67 -8.116 10.385 4.601 527 HA3 GLY 67 3HA GLY 67 -7.812 9.500 3.114 528 H GLN 68 HN GLN 68 -8.769 11.946 2.807 529 HA GLN 68 HA GLN 68 -11.555 12.273 2.873 530 HB2 GLN 68 2HB GLN 68 -9.970 14.134 2.641 531 HB3 GLN 68 3HB GLN 68 -9.529 13.563 1.038 532 HG2 GLN 68 2HG GLN 68 -11.035 15.402 0.820 533 HG3 GLN 68 3HG GLN 68 -11.858 13.931 0.308 534 HE21 GLN 68 1HE2 GLN 68 -12.236 16.700 1.984 535 HE22 GLN 68 2HE2 GLN 68 -13.508 16.236 3.057 536 H ASP 69 HN ASP 69 -9.679 10.265 0.874 537 HA ASP 69 HA ASP 69 -11.993 9.549 -0.673 538 HB2 ASP 69 2HB ASP 69 -10.909 9.889 -2.870 539 HB3 ASP 69 3HB ASP 69 -11.171 11.409 -2.019 540 H MET 70 HN MET 70 -11.239 7.803 -2.383 541 HA MET 70 HA MET 70 -10.163 5.663 -0.935 542 HB2 MET 70 2HB MET 70 -11.640 5.536 -2.988 543 HB3 MET 70 3HB MET 70 -10.204 5.875 -3.947 544 HG2 MET 70 2HG MET 70 -9.662 3.736 -3.928 545 HG3 MET 70 3HG MET 70 -9.596 3.750 -2.168 546 HE1 MET 70 3HE MET 70 -10.299 1.499 -4.311 547 HE2 MET 70 1HE MET 70 -11.960 0.910 -4.237 548 HE3 MET 70 2HE MET 70 -11.558 2.289 -5.262 549 H TYR 71 HN TYR 71 -8.682 7.588 -3.546 550 HA TYR 71 HA TYR 71 -6.187 6.363 -3.564 551 HB2 TYR 71 2HB TYR 71 -7.296 8.936 -4.478 552 HB3 TYR 71 3HB TYR 71 -5.561 8.949 -4.178 553 HD1 TYR 71 1HD TYR 71 -7.795 6.298 -5.570 554 HD2 TYR 71 2HD TYR 71 -4.500 8.907 -6.237 555 HE1 TYR 71 1HE TYR 71 -7.414 5.249 -7.761 556 HE2 TYR 71 2HE TYR 71 -4.110 7.864 -8.429 557 HH TYR 71 HH TYR 71 -6.332 5.936 -9.971 558 H ALA 72 HN ALA 72 -7.379 9.035 -1.579 559 HA ALA 72 HA ALA 72 -4.969 9.718 -0.328 560 HB1 ALA 72 1HB ALA 72 -6.787 10.262 1.604 561 HB2 ALA 72 2HB ALA 72 -6.479 11.300 0.212 562 HB3 ALA 72 3HB ALA 72 -7.830 10.167 0.185 563 H ALA 73 HN ALA 73 -7.531 7.489 0.737 564 HA ALA 73 HA ALA 73 -6.488 6.650 3.138 565 HB1 ALA 73 1HB ALA 73 -7.969 4.891 3.052 566 HB2 ALA 73 2HB ALA 73 -8.677 5.995 1.872 567 HB3 ALA 73 3HB ALA 73 -7.715 4.621 1.326 568 H ILE 74 HN ILE 74 -5.465 5.791 -0.091 569 HA ILE 74 HA ILE 74 -3.814 3.589 0.705 570 HB ILE 74 HB ILE 74 -3.630 5.209 -1.837 571 HG12 ILE 74 2HG1 ILE 74 -5.906 4.347 -1.523 572 HG13 ILE 74 3HG1 ILE 74 -5.089 3.505 -2.837 573 HG21 ILE 74 1HG2 ILE 74 -2.175 3.685 -2.624 574 HG22 ILE 74 2HG2 ILE 74 -1.880 3.363 -0.914 575 HG23 ILE 74 3HG2 ILE 74 -2.992 2.341 -1.826 576 HD11 ILE 74 3HD1 ILE 74 -4.675 2.131 -0.349 577 HD12 ILE 74 1HD1 ILE 74 -6.395 2.382 -0.649 578 HD13 ILE 74 2HD1 ILE 74 -5.403 1.553 -1.848 579 H ASP 75 HN ASP 75 -3.326 7.025 0.102 580 HA ASP 75 HA ASP 75 -0.541 7.113 0.119 581 HB2 ASP 75 2HB ASP 75 -2.485 8.974 -0.148 582 HB3 ASP 75 3HB ASP 75 -1.937 9.338 1.486 583 H GLY 76 HN GLY 76 -2.746 7.687 2.870 584 HA2 GLY 76 2HA GLY 76 -0.662 7.758 4.801 585 HA3 GLY 76 3HA GLY 76 -2.378 7.578 5.139 586 H LEU 77 HN LEU 77 -2.554 5.183 3.411 587 HA LEU 77 HA LEU 77 -2.057 3.225 5.397 588 HB2 LEU 77 2HB LEU 77 -3.868 2.952 3.832 589 HB3 LEU 77 3HB LEU 77 -2.761 2.998 2.473 590 HG LEU 77 HG LEU 77 -1.900 0.842 2.974 591 HD11 LEU 77 1HD1 LEU 77 -1.590 0.374 5.130 592 HD12 LEU 77 2HD1 LEU 77 -2.905 1.430 5.644 593 HD13 LEU 77 3HD1 LEU 77 -3.253 -0.214 5.108 594 HD21 LEU 77 3HD2 LEU 77 -4.497 1.257 2.261 595 HD22 LEU 77 1HD2 LEU 77 -3.680 -0.305 2.242 596 HD23 LEU 77 2HD2 LEU 77 -4.669 0.157 3.628 597 H ILE 78 HN ILE 78 -0.421 4.094 2.394 598 HA ILE 78 HA ILE 78 1.586 2.045 2.687 599 HB ILE 78 HB ILE 78 1.429 4.399 0.801 600 HG12 ILE 78 2HG1 ILE 78 -0.335 2.772 0.421 601 HG13 ILE 78 3HG1 ILE 78 0.857 2.659 -0.871 602 HG21 ILE 78 1HG2 ILE 78 3.348 2.072 0.850 603 HG22 ILE 78 2HG2 ILE 78 3.182 3.212 -0.487 604 HG23 ILE 78 3HG2 ILE 78 3.740 3.776 1.089 605 HD11 ILE 78 3HD1 ILE 78 0.984 0.491 -0.479 606 HD12 ILE 78 1HD1 ILE 78 1.680 0.852 1.101 607 HD13 ILE 78 2HD1 ILE 78 -0.062 0.642 0.932 608 H ASP 79 HN ASP 79 1.103 5.185 3.907 609 HA ASP 79 HA ASP 79 3.860 5.921 4.179 610 HB2 ASP 79 2HB ASP 79 1.560 7.340 4.279 611 HB3 ASP 79 3HB ASP 79 1.864 7.133 6.001 612 H LYS 80 HN LYS 80 1.365 5.070 6.582 613 HA LYS 80 HA LYS 80 3.181 4.721 8.710 614 HB2 LYS 80 2HB LYS 80 0.469 3.420 8.424 615 HB3 LYS 80 3HB LYS 80 1.339 3.742 9.919 616 HG2 LYS 80 2HG LYS 80 0.770 5.936 9.944 617 HG3 LYS 80 3HG LYS 80 0.728 6.061 8.184 618 HD2 LYS 80 2HD LYS 80 -1.345 4.491 8.404 619 HD3 LYS 80 3HD LYS 80 -1.374 5.077 10.068 620 HE2 LYS 80 2HE LYS 80 -1.204 6.991 7.770 621 HE3 LYS 80 3HE LYS 80 -2.757 6.323 8.273 622 HZ1 LYS 80 3HZ LYS 80 -1.788 7.120 10.614 623 HZ2 LYS 80 1HZ LYS 80 -2.739 8.107 9.622 624 HZ3 LYS 80 2HZ LYS 80 -1.054 8.262 9.605 625 H LEU 81 HN LEU 81 1.947 2.550 6.247 626 HA LEU 81 HA LEU 81 2.726 0.114 7.385 627 HB2 LEU 81 2HB LEU 81 2.195 1.055 4.605 628 HB3 LEU 81 3HB LEU 81 2.942 -0.515 4.830 629 HG LEU 81 HG LEU 81 0.288 -0.161 4.671 630 HD11 LEU 81 1HD1 LEU 81 0.197 -2.312 6.146 631 HD12 LEU 81 2HD1 LEU 81 1.031 -2.331 4.592 632 HD13 LEU 81 3HD1 LEU 81 1.954 -2.184 6.088 633 HD21 LEU 81 3HD2 LEU 81 0.789 -0.217 7.640 634 HD22 LEU 81 1HD2 LEU 81 0.302 1.227 6.756 635 HD23 LEU 81 2HD2 LEU 81 -0.766 -0.176 6.810 636 H ALA 82 HN ALA 82 4.505 2.230 5.123 637 HA ALA 82 HA ALA 82 6.804 0.628 4.949 638 HB1 ALA 82 1HB ALA 82 6.076 2.797 3.637 639 HB2 ALA 82 2HB ALA 82 7.103 3.584 4.836 640 HB3 ALA 82 3HB ALA 82 7.771 2.337 3.783 641 H ARG 83 HN ARG 83 6.128 3.414 7.072 642 HA ARG 83 HA ARG 83 8.487 3.532 8.473 643 HB2 ARG 83 2HB ARG 83 5.742 3.882 9.686 644 HB3 ARG 83 3HB ARG 83 7.246 4.578 10.272 645 HG2 ARG 83 2HG ARG 83 6.705 5.275 7.506 646 HG3 ARG 83 3HG ARG 83 5.424 5.791 8.604 647 HD2 ARG 83 2HD ARG 83 7.458 6.623 10.053 648 HD3 ARG 83 3HD ARG 83 8.288 6.609 8.499 649 HE ARG 83 HE ARG 83 7.073 8.444 7.870 650 HH11 ARG 83 2HH1 ARG 83 5.590 7.016 10.687 651 HH12 ARG 83 1HH1 ARG 83 4.474 8.320 10.916 652 HH21 ARG 83 2HH2 ARG 83 5.609 10.163 8.171 653 HH22 ARG 83 1HH2 ARG 83 4.485 10.109 9.487 654 H GLN 84 HN GLN 84 5.724 1.388 9.058 655 HA GLN 84 HA GLN 84 6.831 0.189 11.395 656 HB2 GLN 84 2HB GLN 84 4.679 -0.791 9.508 657 HB3 GLN 84 3HB GLN 84 5.064 -1.526 11.058 658 HG2 GLN 84 2HG GLN 84 4.293 1.359 10.865 659 HG3 GLN 84 3HG GLN 84 3.076 0.085 10.921 660 HE21 GLN 84 1HE2 GLN 84 4.753 2.217 12.746 661 HE22 GLN 84 2HE2 GLN 84 4.662 1.429 14.281 662 H LEU 85 HN LEU 85 6.842 -0.550 7.963 663 HA LEU 85 HA LEU 85 7.956 -3.110 8.043 664 HB2 LEU 85 2HB LEU 85 7.852 -0.917 6.033 665 HB3 LEU 85 3HB LEU 85 8.976 -2.226 5.750 666 HG LEU 85 HG LEU 85 6.649 -2.340 4.662 667 HD11 LEU 85 1HD1 LEU 85 6.649 -4.913 5.606 668 HD12 LEU 85 2HD1 LEU 85 7.613 -4.303 4.260 669 HD13 LEU 85 3HD1 LEU 85 8.314 -4.394 5.876 670 HD21 LEU 85 3HD2 LEU 85 5.929 -2.503 7.487 671 HD22 LEU 85 1HD2 LEU 85 4.931 -2.159 6.077 672 HD23 LEU 85 2HD2 LEU 85 5.286 -3.826 6.520 673 H THR 86 HN THR 86 9.490 0.075 7.991 674 HA THR 86 HA THR 86 12.154 -0.829 7.819 675 HB THR 86 HB THR 86 12.311 1.565 9.182 676 HG1 THR 86 1HG THR 86 10.118 1.839 7.434 677 HG21 THR 86 3HG2 THR 86 12.845 2.579 7.143 678 HG22 THR 86 1HG2 THR 86 11.849 1.451 6.224 679 HG23 THR 86 2HG2 THR 86 13.346 0.898 6.973 680 H LYS 87 HN LYS 87 10.077 -0.096 10.584 681 HA LYS 87 HA LYS 87 11.927 -0.247 12.633 682 HB2 LYS 87 2HB LYS 87 9.078 -0.303 12.384 683 HB3 LYS 87 3HB LYS 87 9.564 -1.530 13.543 684 HG2 LYS 87 2HG LYS 87 9.513 0.144 15.019 685 HG3 LYS 87 3HG LYS 87 11.080 0.582 14.336 686 HD2 LYS 87 2HD LYS 87 10.267 2.491 13.523 687 HD3 LYS 87 3HD LYS 87 8.928 1.651 12.737 688 HE2 LYS 87 2HE LYS 87 8.980 2.379 15.660 689 HE3 LYS 87 3HE LYS 87 8.241 3.379 14.410 690 HZ1 LYS 87 3HZ LYS 87 7.345 0.831 15.525 691 HZ2 LYS 87 1HZ LYS 87 7.037 1.109 13.884 692 HZ3 LYS 87 2HZ LYS 87 6.442 2.181 15.050 693 H HIS 88 HN HIS 88 9.902 -2.926 11.437 694 HA HIS 88 HA HIS 88 11.350 -4.873 12.949 695 HB2 HIS 88 2HB HIS 88 9.821 -6.435 12.168 696 HB3 HIS 88 3HB HIS 88 8.888 -4.945 12.106 697 HD1 HIS 88 1HD HIS 88 7.739 -4.509 9.953 698 HD2 HIS 88 2HD HIS 88 10.950 -7.106 9.500 699 HE1 HIS 88 1HE HIS 88 7.675 -5.246 7.551 700 HE2 HIS 88 2HE HIS 88 9.572 -6.887 7.323 701 H LYS 89 HN LYS 89 11.693 -3.516 9.778 702 HA LYS 89 HA LYS 89 13.186 -5.635 8.622 703 HB2 LYS 89 2HB LYS 89 12.056 -3.904 7.285 704 HB3 LYS 89 3HB LYS 89 13.188 -2.703 7.892 705 HG2 LYS 89 2HG LYS 89 14.522 -5.004 6.728 706 HG3 LYS 89 3HG LYS 89 13.452 -4.187 5.587 707 HD2 LYS 89 2HD LYS 89 14.651 -2.046 6.642 708 HD3 LYS 89 3HD LYS 89 15.936 -3.231 6.895 709 HE2 LYS 89 2HE LYS 89 14.696 -3.294 4.233 710 HE3 LYS 89 3HE LYS 89 15.569 -1.808 4.609 711 HZ1 LYS 89 3HZ LYS 89 16.578 -4.498 4.188 712 HZ2 LYS 89 1HZ LYS 89 17.317 -3.629 5.438 713 HZ3 LYS 89 2HZ LYS 89 17.306 -3.005 3.866 714 H ASP 90 HN ASP 90 14.005 -3.200 10.908 715 HA ASP 90 HA ASP 90 16.754 -2.918 10.324 716 HB2 ASP 90 2HB ASP 90 15.228 -1.546 11.931 717 HB3 ASP 90 3HB ASP 90 15.667 -2.768 13.121 718 H LYS 91 HN LYS 91 14.908 -5.313 12.043 719 HA LYS 91 HA LYS 91 16.862 -6.576 13.549 720 HB2 LYS 91 2HB LYS 91 14.481 -7.145 13.682 721 HB3 LYS 91 3HB LYS 91 14.549 -7.846 12.071 722 HG2 LYS 91 2HG LYS 91 16.321 -9.420 13.020 723 HG3 LYS 91 3HG LYS 91 15.785 -8.861 14.606 724 HD2 LYS 91 2HD LYS 91 13.408 -9.444 13.640 725 HD3 LYS 91 3HD LYS 91 14.340 -10.495 12.574 726 HE2 LYS 91 2HE LYS 91 15.357 -11.566 14.524 727 HE3 LYS 91 3HE LYS 91 14.427 -10.514 15.589 728 HZ1 LYS 91 3HZ LYS 91 13.576 -12.846 14.080 729 HZ2 LYS 91 1HZ LYS 91 12.479 -11.559 14.124 730 HZ3 LYS 91 2HZ LYS 91 13.022 -12.257 15.565 731 H LEU 92 HN LEU 92 16.374 -6.584 10.112 732 HA LEU 92 HA LEU 92 18.655 -8.428 9.832 733 HB2 LEU 92 2HB LEU 92 16.125 -8.264 8.211 734 HB3 LEU 92 3HB LEU 92 17.582 -9.007 7.577 735 HG LEU 92 HG LEU 92 17.398 -10.365 9.880 736 HD11 LEU 92 1HD1 LEU 92 14.553 -9.685 9.154 737 HD12 LEU 92 2HD1 LEU 92 15.049 -10.925 10.306 738 HD13 LEU 92 3HD1 LEU 92 15.392 -9.226 10.635 739 HD21 LEU 92 3HD2 LEU 92 17.492 -11.203 7.512 740 HD22 LEU 92 1HD2 LEU 92 16.524 -12.178 8.618 741 HD23 LEU 92 2HD2 LEU 92 15.731 -11.089 7.480 742 H LYS 93 HN LYS 93 18.641 -5.522 10.000 743 HA LYS 93 HA LYS 93 19.287 -4.698 7.269 744 HB2 LYS 93 2HB LYS 93 17.831 -3.230 8.609 745 HB3 LYS 93 3HB LYS 93 19.109 -3.064 9.807 746 HG2 LYS 93 2HG LYS 93 19.748 -1.253 8.695 747 HG3 LYS 93 3HG LYS 93 20.337 -2.344 7.440 748 HD2 LYS 93 2HD LYS 93 18.909 -1.355 6.044 749 HD3 LYS 93 3HD LYS 93 17.605 -2.118 6.954 750 HE2 LYS 93 2HE LYS 93 18.179 0.047 8.509 751 HE3 LYS 93 3HE LYS 93 18.478 0.678 6.890 752 HZ1 LYS 93 3HZ LYS 93 16.138 0.885 7.811 753 HZ2 LYS 93 1HZ LYS 93 15.993 -0.781 7.551 754 HZ3 LYS 93 2HZ LYS 93 16.290 0.256 6.248 755 H GLN 94 HN GLN 94 21.302 -3.966 6.653 756 HA GLN 94 HA GLN 94 23.475 -4.174 8.617 757 HB2 GLN 94 2HB GLN 94 24.873 -5.348 6.954 758 HB3 GLN 94 3HB GLN 94 23.465 -6.288 7.423 759 HG2 GLN 94 2HG GLN 94 22.949 -6.518 5.291 760 HG3 GLN 94 3HG GLN 94 22.687 -4.778 5.190 761 HE21 GLN 94 1HE2 GLN 94 23.906 -3.684 3.822 762 HE22 GLN 94 2HE2 GLN 94 25.385 -4.234 3.119 763 H HIS 95 HN HIS 95 22.842 -1.771 8.304 764 HA HIS 95 HA HIS 95 24.676 -0.665 6.294 765 HB2 HIS 95 2HB HIS 95 22.240 -0.474 5.596 766 HB3 HIS 95 3HB HIS 95 22.026 0.619 6.961 767 HD1 HIS 95 1HD HIS 95 21.419 2.499 5.232 768 HD2 HIS 95 2HD HIS 95 25.308 1.060 4.967 769 HE1 HIS 95 1HE HIS 95 22.661 4.175 3.825 770 HE2 HIS 95 2HE HIS 95 25.031 3.326 3.749 Start of MODEL 15 1 H1 MET 1 1H MET 1 5.307 -12.977 -6.809 2 H2 MET 1 2H MET 1 5.204 -11.431 -6.069 3 H3 MET 1 3H MET 1 5.746 -11.575 -7.691 4 HA MET 1 HA MET 1 3.462 -10.780 -7.447 5 HB2 MET 1 2HB MET 1 2.594 -12.474 -9.137 6 HB3 MET 1 3HB MET 1 4.117 -11.690 -9.533 7 HG2 MET 1 2HG MET 1 4.170 -14.301 -8.108 8 HG3 MET 1 3HG MET 1 3.802 -14.270 -9.832 9 HE1 MET 1 2HE MET 1 7.180 -15.708 -9.184 10 HE2 MET 1 3HE MET 1 7.389 -14.702 -7.751 11 HE3 MET 1 1HE MET 1 5.867 -15.553 -8.017 12 H GLN 2 HN GLN 2 1.855 -10.854 -6.031 13 HA GLN 2 HA GLN 2 0.201 -13.021 -5.577 14 HB2 GLN 2 2HB GLN 2 2.415 -13.728 -4.340 15 HB3 GLN 2 3HB GLN 2 1.823 -12.641 -3.093 16 HG2 GLN 2 2HG GLN 2 1.128 -14.843 -2.540 17 HG3 GLN 2 3HG GLN 2 -0.296 -13.936 -3.051 18 HE21 GLN 2 1HE2 GLN 2 1.342 -16.788 -3.358 19 HE22 GLN 2 2HE2 GLN 2 0.638 -17.361 -4.829 20 H LEU 3 HN LEU 3 0.167 -10.132 -5.915 21 HA LEU 3 HA LEU 3 -0.934 -9.190 -3.378 22 HB2 LEU 3 2HB LEU 3 -0.848 -6.984 -4.290 23 HB3 LEU 3 3HB LEU 3 0.686 -7.771 -4.607 24 HG LEU 3 HG LEU 3 -1.330 -7.930 -6.770 25 HD11 LEU 3 1HD1 LEU 3 -0.258 -5.577 -7.435 26 HD12 LEU 3 2HD1 LEU 3 -1.790 -5.727 -6.575 27 HD13 LEU 3 3HD1 LEU 3 -0.307 -5.382 -5.683 28 HD21 LEU 3 3HD2 LEU 3 1.413 -6.986 -7.241 29 HD22 LEU 3 1HD2 LEU 3 1.280 -8.600 -6.540 30 HD23 LEU 3 2HD2 LEU 3 0.481 -8.234 -8.068 31 H ASN 4 HN ASN 4 -3.056 -8.871 -3.036 32 HA ASN 4 HA ASN 4 -4.880 -9.010 -5.333 33 HB2 ASN 4 2HB ASN 4 -4.636 -11.225 -4.041 34 HB3 ASN 4 3HB ASN 4 -5.509 -10.412 -2.745 35 HD21 ASN 4 1HD2 ASN 4 -6.844 -12.417 -3.406 36 HD22 ASN 4 2HD2 ASN 4 -8.121 -12.109 -4.528 37 H ILE 5 HN ILE 5 -6.679 -7.743 -5.213 38 HA ILE 5 HA ILE 5 -6.928 -6.053 -2.808 39 HB ILE 5 HB ILE 5 -7.933 -5.149 -5.478 40 HG12 ILE 5 2HG1 ILE 5 -5.088 -4.798 -4.500 41 HG13 ILE 5 3HG1 ILE 5 -5.585 -5.805 -5.857 42 HG21 ILE 5 1HG2 ILE 5 -6.974 -2.972 -4.230 43 HG22 ILE 5 2HG2 ILE 5 -8.614 -3.583 -4.008 44 HG23 ILE 5 3HG2 ILE 5 -7.358 -3.981 -2.835 45 HD11 ILE 5 3HD1 ILE 5 -6.300 -3.879 -7.093 46 HD12 ILE 5 1HD1 ILE 5 -5.987 -2.830 -5.710 47 HD13 ILE 5 2HD1 ILE 5 -4.647 -3.627 -6.532 48 H THR 6 HN THR 6 -9.047 -5.451 -2.148 49 HA THR 6 HA THR 6 -11.177 -7.157 -3.254 50 HB THR 6 HB THR 6 -11.270 -6.162 -0.436 51 HG1 THR 6 1HG THR 6 -9.691 -8.300 -1.389 52 HG21 THR 6 3HG2 THR 6 -12.767 -7.994 -2.009 53 HG22 THR 6 1HG2 THR 6 -13.039 -7.474 -0.347 54 HG23 THR 6 2HG2 THR 6 -12.008 -8.866 -0.677 55 H GLY 7 HN GLY 7 -12.714 -6.027 -4.241 56 HA2 GLY 7 2HA GLY 7 -13.012 -3.185 -3.568 57 HA3 GLY 7 3HA GLY 7 -13.555 -3.949 -5.054 58 H ASN 8 HN ASN 8 -14.497 -2.761 -2.072 59 HA ASN 8 HA ASN 8 -17.030 -4.260 -2.157 60 HB2 ASN 8 2HB ASN 8 -17.241 -3.269 0.244 61 HB3 ASN 8 3HB ASN 8 -16.178 -4.648 -0.018 62 HD21 ASN 8 1HD2 ASN 8 -15.291 -3.825 2.041 63 HD22 ASN 8 2HD2 ASN 8 -14.052 -2.624 1.966 64 H ASN 9 HN ASN 9 -18.498 -3.119 -3.258 65 HA ASN 9 HA ASN 9 -19.874 -1.419 -3.891 66 HB2 ASN 9 2HB ASN 9 -19.879 -1.151 -1.283 67 HB3 ASN 9 3HB ASN 9 -18.908 0.281 -1.616 68 HD21 ASN 9 1HD2 ASN 9 -19.852 2.061 -2.506 69 HD22 ASN 9 2HD2 ASN 9 -21.555 2.215 -2.751 70 H VAL 10 HN VAL 10 -17.158 -1.589 -4.844 71 HA VAL 10 HA VAL 10 -16.930 1.089 -5.937 72 HB VAL 10 HB VAL 10 -14.520 -0.178 -4.632 73 HG11 VAL 10 1HG1 VAL 10 -13.560 1.187 -6.159 74 HG12 VAL 10 2HG1 VAL 10 -14.990 2.208 -6.309 75 HG13 VAL 10 3HG1 VAL 10 -13.900 2.413 -4.938 76 HG21 VAL 10 3HG2 VAL 10 -16.240 2.095 -3.644 77 HG22 VAL 10 1HG2 VAL 10 -16.086 0.502 -2.906 78 HG23 VAL 10 2HG2 VAL 10 -14.702 1.594 -2.938 79 H GLU 11 HN GLU 11 -16.221 1.070 -8.008 80 HA GLU 11 HA GLU 11 -15.762 -1.509 -9.235 81 HB2 GLU 11 2HB GLU 11 -15.864 -0.292 -11.352 82 HB3 GLU 11 3HB GLU 11 -17.230 0.122 -10.328 83 HG2 GLU 11 2HG GLU 11 -15.410 2.035 -9.647 84 HG3 GLU 11 3HG GLU 11 -15.078 1.798 -11.361 85 H ILE 12 HN ILE 12 -13.811 -2.371 -9.424 86 HA ILE 12 HA ILE 12 -11.422 -0.979 -8.834 87 HB ILE 12 HB ILE 12 -11.813 -3.640 -10.212 88 HG12 ILE 12 2HG1 ILE 12 -12.694 -3.378 -7.859 89 HG13 ILE 12 3HG1 ILE 12 -11.485 -4.638 -8.068 90 HG21 ILE 12 1HG2 ILE 12 -9.388 -2.114 -9.514 91 HG22 ILE 12 2HG2 ILE 12 -9.377 -3.825 -9.084 92 HG23 ILE 12 3HG2 ILE 12 -9.644 -3.338 -10.758 93 HD11 ILE 12 3HD1 ILE 12 -10.249 -3.727 -6.480 94 HD12 ILE 12 1HD1 ILE 12 -10.158 -2.219 -7.388 95 HD13 ILE 12 2HD1 ILE 12 -11.479 -2.484 -6.249 96 H THR 13 HN THR 13 -10.844 0.687 -10.112 97 HA THR 13 HA THR 13 -10.910 0.336 -13.021 98 HB THR 13 HB THR 13 -10.212 2.881 -12.820 99 HG1 THR 13 1HG THR 13 -11.162 3.786 -10.942 100 HG21 THR 13 3HG2 THR 13 -12.402 3.535 -13.115 101 HG22 THR 13 1HG2 THR 13 -13.027 2.301 -12.019 102 HG23 THR 13 2HG2 THR 13 -12.435 1.843 -13.617 103 H GLU 14 HN GLU 14 -9.106 0.161 -14.211 104 HA GLU 14 HA GLU 14 -6.735 -0.739 -13.395 105 HB2 GLU 14 2HB GLU 14 -7.525 0.917 -15.727 106 HB3 GLU 14 3HB GLU 14 -5.801 0.722 -15.434 107 HG2 GLU 14 2HG GLU 14 -5.802 -1.392 -16.139 108 HG3 GLU 14 3HG GLU 14 -7.291 -1.778 -15.279 109 H ALA 15 HN ALA 15 -7.586 2.702 -13.445 110 HA ALA 15 HA ALA 15 -5.009 3.654 -12.762 111 HB1 ALA 15 1HB ALA 15 -7.735 4.782 -12.902 112 HB2 ALA 15 2HB ALA 15 -6.584 5.626 -11.866 113 HB3 ALA 15 3HB ALA 15 -6.220 5.383 -13.575 114 H LEU 16 HN LEU 16 -7.903 2.987 -10.809 115 HA LEU 16 HA LEU 16 -6.796 3.763 -8.343 116 HB2 LEU 16 2HB LEU 16 -9.261 3.158 -9.102 117 HB3 LEU 16 3HB LEU 16 -8.825 1.585 -8.458 118 HG LEU 16 HG LEU 16 -10.008 2.931 -6.799 119 HD11 LEU 16 1HD1 LEU 16 -7.200 2.863 -5.808 120 HD12 LEU 16 2HD1 LEU 16 -8.687 2.333 -5.023 121 HD13 LEU 16 3HD1 LEU 16 -7.972 1.357 -6.306 122 HD21 LEU 16 3HD2 LEU 16 -7.778 4.796 -6.376 123 HD22 LEU 16 1HD2 LEU 16 -8.709 5.067 -7.850 124 HD23 LEU 16 2HD2 LEU 16 -9.519 5.065 -6.284 125 H ARG 17 HN ARG 17 -7.138 0.517 -9.797 126 HA ARG 17 HA ARG 17 -5.861 -0.849 -7.691 127 HB2 ARG 17 2HB ARG 17 -5.645 -2.707 -9.333 128 HB3 ARG 17 3HB ARG 17 -7.272 -2.053 -9.216 129 HG2 ARG 17 2HG ARG 17 -7.171 -2.075 -11.452 130 HG3 ARG 17 3HG ARG 17 -6.297 -0.558 -11.237 131 HD2 ARG 17 2HD ARG 17 -4.934 -1.769 -12.684 132 HD3 ARG 17 3HD ARG 17 -4.193 -2.033 -11.110 133 HE ARG 17 HE ARG 17 -5.716 -3.983 -12.673 134 HH11 ARG 17 2HH1 ARG 17 -3.823 -3.247 -9.824 135 HH12 ARG 17 1HH1 ARG 17 -3.570 -4.909 -9.417 136 HH21 ARG 17 2HH2 ARG 17 -5.380 -6.164 -12.129 137 HH22 ARG 17 1HH2 ARG 17 -4.452 -6.564 -10.722 138 H GLU 18 HN GLU 18 -4.607 0.350 -10.805 139 HA GLU 18 HA GLU 18 -2.007 -0.664 -10.470 140 HB2 GLU 18 2HB GLU 18 -1.366 0.665 -12.311 141 HB3 GLU 18 3HB GLU 18 -3.041 0.233 -12.610 142 HG2 GLU 18 2HG GLU 18 -3.240 2.410 -13.089 143 HG3 GLU 18 3HG GLU 18 -3.382 2.577 -11.342 144 H PHE 19 HN PHE 19 -3.495 2.371 -9.442 145 HA PHE 19 HA PHE 19 -1.204 3.741 -8.655 146 HB2 PHE 19 2HB PHE 19 -3.399 4.807 -8.761 147 HB3 PHE 19 3HB PHE 19 -3.974 3.801 -7.437 148 HD1 PHE 19 2HD PHE 19 -1.745 6.580 -8.348 149 HD2 PHE 19 1HD PHE 19 -3.456 4.322 -5.171 150 HE1 PHE 19 2HE PHE 19 -0.995 8.283 -6.737 151 HE2 PHE 19 1HE PHE 19 -2.710 6.020 -3.556 152 HZ PHE 19 HZ PHE 19 -1.478 8.005 -4.338 153 H VAL 20 HN VAL 20 -3.252 1.498 -6.803 154 HA VAL 20 HA VAL 20 -1.882 1.683 -4.366 155 HB VAL 20 HB VAL 20 -3.219 -0.811 -5.415 156 HG11 VAL 20 1HG1 VAL 20 -1.818 -0.737 -3.231 157 HG12 VAL 20 2HG1 VAL 20 -3.212 0.126 -2.577 158 HG13 VAL 20 3HG1 VAL 20 -3.407 -1.506 -3.217 159 HG21 VAL 20 3HG2 VAL 20 -5.128 0.356 -3.921 160 HG22 VAL 20 1HG2 VAL 20 -4.351 1.787 -4.598 161 HG23 VAL 20 2HG2 VAL 20 -5.005 0.549 -5.669 162 H THR 21 HN THR 21 -1.471 -0.605 -7.056 163 HA THR 21 HA THR 21 0.665 -2.044 -5.905 164 HB THR 21 HB THR 21 0.159 -1.662 -8.858 165 HG1 THR 21 1HG THR 21 -1.712 -2.496 -8.402 166 HG21 THR 21 3HG2 THR 21 2.048 -2.942 -8.793 167 HG22 THR 21 1HG2 THR 21 0.804 -4.190 -8.721 168 HG23 THR 21 2HG2 THR 21 1.628 -3.680 -7.246 169 H ALA 22 HN ALA 22 0.499 0.937 -7.703 170 HA ALA 22 HA ALA 22 3.123 1.200 -8.577 171 HB1 ALA 22 1HB ALA 22 2.587 3.350 -9.075 172 HB2 ALA 22 2HB ALA 22 0.956 2.740 -8.792 173 HB3 ALA 22 3HB ALA 22 1.798 3.630 -7.522 174 H LYS 23 HN LYS 23 1.695 2.081 -5.451 175 HA LYS 23 HA LYS 23 4.099 3.124 -4.351 176 HB2 LYS 23 2HB LYS 23 1.794 1.988 -2.774 177 HB3 LYS 23 3HB LYS 23 2.930 3.235 -2.281 178 HG2 LYS 23 2HG LYS 23 1.659 4.138 -4.638 179 HG3 LYS 23 3HG LYS 23 0.406 3.515 -3.562 180 HD2 LYS 23 2HD LYS 23 0.812 5.095 -1.955 181 HD3 LYS 23 3HD LYS 23 2.511 5.267 -2.399 182 HE2 LYS 23 2HE LYS 23 1.409 6.207 -4.635 183 HE3 LYS 23 3HE LYS 23 0.105 6.594 -3.515 184 HZ1 LYS 23 3HZ LYS 23 1.904 8.334 -3.880 185 HZ2 LYS 23 1HZ LYS 23 2.903 7.347 -2.936 186 HZ3 LYS 23 2HZ LYS 23 1.481 7.986 -2.280 187 H PHE 24 HN PHE 24 2.431 -0.000 -4.032 188 HA PHE 24 HA PHE 24 4.141 -1.236 -2.237 189 HB2 PHE 24 2HB PHE 24 2.196 -2.118 -4.252 190 HB3 PHE 24 3HB PHE 24 3.459 -3.298 -3.922 191 HD1 PHE 24 2HD PHE 24 3.666 -4.323 -1.735 192 HD2 PHE 24 1HD PHE 24 0.585 -1.506 -2.566 193 HE1 PHE 24 2HE PHE 24 2.480 -5.023 0.304 194 HE2 PHE 24 1HE PHE 24 -0.605 -2.200 -0.528 195 HZ PHE 24 HZ PHE 24 0.341 -3.963 0.909 196 H ALA 25 HN ALA 25 4.359 -1.156 -5.789 197 HA ALA 25 HA ALA 25 6.622 -2.708 -6.136 198 HB1 ALA 25 1HB ALA 25 5.019 -1.323 -7.803 199 HB2 ALA 25 2HB ALA 25 6.463 -0.311 -7.845 200 HB3 ALA 25 3HB ALA 25 6.567 -2.015 -8.286 201 H LYS 26 HN LYS 26 6.462 0.826 -5.667 202 HA LYS 26 HA LYS 26 9.164 1.396 -5.731 203 HB2 LYS 26 2HB LYS 26 6.950 2.871 -5.338 204 HB3 LYS 26 3HB LYS 26 7.554 2.823 -3.688 205 HG2 LYS 26 2HG LYS 26 9.693 3.425 -5.505 206 HG3 LYS 26 3HG LYS 26 8.345 4.536 -5.750 207 HD2 LYS 26 2HD LYS 26 8.564 5.470 -3.687 208 HD3 LYS 26 3HD LYS 26 9.134 3.971 -2.951 209 HE2 LYS 26 2HE LYS 26 11.123 5.022 -2.939 210 HE3 LYS 26 3HE LYS 26 11.183 4.515 -4.627 211 HZ1 LYS 26 3HZ LYS 26 9.834 7.035 -4.078 212 HZ2 LYS 26 1HZ LYS 26 10.852 6.608 -5.361 213 HZ3 LYS 26 2HZ LYS 26 11.512 7.024 -3.862 214 H LEU 27 HN LEU 27 7.277 -0.095 -3.203 215 HA LEU 27 HA LEU 27 9.293 0.199 -1.174 216 HB2 LEU 27 2HB LEU 27 6.684 -1.239 -1.392 217 HB3 LEU 27 3HB LEU 27 7.799 -1.699 -0.119 218 HG LEU 27 HG LEU 27 7.812 0.831 0.466 219 HD11 LEU 27 1HD1 LEU 27 6.612 1.506 -1.592 220 HD12 LEU 27 2HD1 LEU 27 5.188 0.650 -1.003 221 HD13 LEU 27 3HD1 LEU 27 5.813 2.037 -0.111 222 HD21 LEU 27 3HD2 LEU 27 5.427 0.386 1.575 223 HD22 LEU 27 1HD2 LEU 27 5.800 -1.259 1.060 224 HD23 LEU 27 2HD2 LEU 27 6.901 -0.403 2.138 225 H GLU 28 HN GLU 28 8.408 -2.172 -3.571 226 HA GLU 28 HA GLU 28 9.754 -4.414 -2.629 227 HB2 GLU 28 2HB GLU 28 8.286 -3.830 -4.849 228 HB3 GLU 28 3HB GLU 28 9.894 -3.995 -5.541 229 HG2 GLU 28 2HG GLU 28 9.766 -6.178 -3.921 230 HG3 GLU 28 3HG GLU 28 8.092 -6.023 -4.453 231 H GLN 29 HN GLN 29 11.086 -1.451 -3.669 232 HA GLN 29 HA GLN 29 13.543 -2.419 -4.726 233 HB2 GLN 29 2HB GLN 29 12.712 -0.168 -5.226 234 HB3 GLN 29 3HB GLN 29 12.857 0.272 -3.531 235 HG2 GLN 29 2HG GLN 29 15.377 -0.663 -4.220 236 HG3 GLN 29 3HG GLN 29 14.850 0.270 -5.620 237 HE21 GLN 29 1HE2 GLN 29 15.604 0.367 -2.222 238 HE22 GLN 29 2HE2 GLN 29 15.737 2.085 -2.095 239 H TYR 30 HN TYR 30 12.726 -0.934 -1.586 240 HA TYR 30 HA TYR 30 15.219 -2.018 -0.496 241 HB2 TYR 30 2HB TYR 30 14.467 -0.546 1.531 242 HB3 TYR 30 3HB TYR 30 15.171 0.209 0.106 243 HD1 TYR 30 1HD TYR 30 11.775 -0.864 1.259 244 HD2 TYR 30 2HD TYR 30 14.145 2.141 -0.596 245 HE1 TYR 30 1HE TYR 30 9.785 0.566 1.048 246 HE2 TYR 30 2HE TYR 30 12.162 3.580 -0.812 247 HH TYR 30 HH TYR 30 9.653 3.506 0.772 248 H PHE 31 HN PHE 31 12.171 -3.111 -0.813 249 HA PHE 31 HA PHE 31 12.304 -4.554 1.753 250 HB2 PHE 31 2HB PHE 31 9.886 -3.447 0.333 251 HB3 PHE 31 3HB PHE 31 9.758 -4.727 1.532 252 HD1 PHE 31 1HD PHE 31 11.571 -3.992 3.604 253 HD2 PHE 31 2HD PHE 31 9.085 -1.487 1.235 254 HE1 PHE 31 1HE PHE 31 11.553 -2.317 5.405 255 HE2 PHE 31 2HE PHE 31 9.059 0.195 3.029 256 HZ PHE 31 HZ PHE 31 10.296 -0.217 5.118 257 H ASP 32 HN ASP 32 12.713 -6.627 1.452 258 HA ASP 32 HA ASP 32 11.880 -7.885 -1.074 259 HB2 ASP 32 2HB ASP 32 14.150 -8.483 0.818 260 HB3 ASP 32 3HB ASP 32 13.629 -9.632 -0.411 261 H ARG 33 HN ARG 33 11.676 -8.062 2.395 262 HA ARG 33 HA ARG 33 10.650 -10.698 2.584 263 HB2 ARG 33 2HB ARG 33 10.089 -8.460 4.523 264 HB3 ARG 33 3HB ARG 33 10.148 -10.185 4.853 265 HG2 ARG 33 2HG ARG 33 12.363 -10.176 5.147 266 HG3 ARG 33 3HG ARG 33 12.641 -9.111 3.770 267 HD2 ARG 33 2HD ARG 33 13.326 -7.822 5.576 268 HD3 ARG 33 3HD ARG 33 11.679 -7.263 5.290 269 HE ARG 33 HE ARG 33 11.063 -8.125 7.322 270 HH11 ARG 33 2HH1 ARG 33 14.200 -9.386 6.457 271 HH12 ARG 33 1HH1 ARG 33 14.480 -10.098 8.009 272 HH21 ARG 33 2HH2 ARG 33 11.431 -9.059 9.367 273 HH22 ARG 33 1HH2 ARG 33 12.909 -9.913 9.662 274 H ILE 34 HN ILE 34 9.172 -10.384 0.669 275 HA ILE 34 HA ILE 34 6.498 -9.787 1.681 276 HB ILE 34 HB ILE 34 7.401 -8.731 -0.996 277 HG12 ILE 34 2HG1 ILE 34 6.968 -7.175 1.563 278 HG13 ILE 34 3HG1 ILE 34 8.546 -7.571 0.890 279 HG21 ILE 34 1HG2 ILE 34 5.029 -7.673 0.408 280 HG22 ILE 34 2HG2 ILE 34 5.289 -7.989 -1.307 281 HG23 ILE 34 3HG2 ILE 34 4.905 -9.318 -0.214 282 HD11 ILE 34 3HD1 ILE 34 8.472 -5.820 -0.459 283 HD12 ILE 34 1HD1 ILE 34 6.892 -6.293 -1.085 284 HD13 ILE 34 2HD1 ILE 34 7.004 -5.314 0.378 285 H ASN 35 HN ASN 35 5.354 -11.580 1.363 286 HA ASN 35 HA ASN 35 5.926 -13.203 -1.027 287 HB2 ASN 35 2HB ASN 35 4.646 -14.994 0.393 288 HB3 ASN 35 3HB ASN 35 6.337 -14.650 0.736 289 HD21 ASN 35 1HD2 ASN 35 6.859 -13.406 2.568 290 HD22 ASN 35 2HD2 ASN 35 5.758 -13.254 3.890 291 H GLN 36 HN GLN 36 3.182 -12.558 1.170 292 HA GLN 36 HA GLN 36 1.468 -12.288 -1.209 293 HB2 GLN 36 2HB GLN 36 1.074 -14.474 -0.149 294 HB3 GLN 36 3HB GLN 36 0.743 -13.673 1.381 295 HG2 GLN 36 2HG GLN 36 -1.318 -12.978 0.735 296 HG3 GLN 36 3HG GLN 36 -0.867 -12.853 -0.965 297 HE21 GLN 36 1HE2 GLN 36 -3.073 -14.240 0.631 298 HE22 GLN 36 2HE2 GLN 36 -3.100 -15.839 -0.022 299 H VAL 37 HN VAL 37 0.414 -10.419 -1.290 300 HA VAL 37 HA VAL 37 -0.059 -8.966 1.230 301 HB VAL 37 HB VAL 37 0.072 -6.908 -0.454 302 HG11 VAL 37 1HG1 VAL 37 2.091 -8.276 1.217 303 HG12 VAL 37 2HG1 VAL 37 2.676 -7.009 0.139 304 HG13 VAL 37 3HG1 VAL 37 1.434 -6.643 1.336 305 HG21 VAL 37 3HG2 VAL 37 0.686 -8.695 -2.274 306 HG22 VAL 37 1HG2 VAL 37 1.483 -7.122 -2.252 307 HG23 VAL 37 2HG2 VAL 37 2.300 -8.535 -1.583 308 H TYR 38 HN TYR 38 -2.043 -8.120 1.535 309 HA TYR 38 HA TYR 38 -3.908 -8.103 -0.732 310 HB2 TYR 38 2HB TYR 38 -5.659 -8.773 1.129 311 HB3 TYR 38 3HB TYR 38 -4.741 -9.996 0.260 312 HD1 TYR 38 1HD TYR 38 -2.453 -10.666 1.411 313 HD2 TYR 38 2HD TYR 38 -5.751 -8.896 3.433 314 HE1 TYR 38 1HE TYR 38 -1.622 -11.569 3.539 315 HE2 TYR 38 2HE TYR 38 -4.928 -9.791 5.570 316 HH TYR 38 HH TYR 38 -2.899 -12.188 5.902 317 H VAL 39 HN VAL 39 -5.113 -6.341 -0.916 318 HA VAL 39 HA VAL 39 -5.196 -4.454 1.349 319 HB VAL 39 HB VAL 39 -4.985 -3.634 -1.547 320 HG11 VAL 39 1HG1 VAL 39 -6.077 -2.074 0.088 321 HG12 VAL 39 2HG1 VAL 39 -4.535 -1.999 0.941 322 HG13 VAL 39 3HG1 VAL 39 -4.651 -1.426 -0.724 323 HG21 VAL 39 3HG2 VAL 39 -2.858 -4.366 -1.337 324 HG22 VAL 39 1HG2 VAL 39 -2.646 -2.838 -0.484 325 HG23 VAL 39 2HG2 VAL 39 -2.903 -4.327 0.425 326 H VAL 40 HN VAL 40 -7.076 -3.234 1.594 327 HA VAL 40 HA VAL 40 -9.269 -3.681 -0.281 328 HB VAL 40 HB VAL 40 -9.648 -4.165 2.676 329 HG11 VAL 40 1HG1 VAL 40 -11.422 -4.036 0.322 330 HG12 VAL 40 2HG1 VAL 40 -11.731 -5.350 1.456 331 HG13 VAL 40 3HG1 VAL 40 -11.753 -3.679 2.017 332 HG21 VAL 40 3HG2 VAL 40 -8.428 -6.036 2.116 333 HG22 VAL 40 1HG2 VAL 40 -10.069 -6.578 1.757 334 HG23 VAL 40 2HG2 VAL 40 -9.008 -6.047 0.451 335 H LEU 41 HN LEU 41 -10.498 -1.983 -0.565 336 HA LEU 41 HA LEU 41 -10.406 0.194 1.397 337 HB2 LEU 41 2HB LEU 41 -10.552 1.670 -0.779 338 HB3 LEU 41 3HB LEU 41 -9.012 1.147 -0.126 339 HG LEU 41 HG LEU 41 -9.118 0.929 -2.571 340 HD11 LEU 41 1HD1 LEU 41 -9.020 -1.890 -1.907 341 HD12 LEU 41 2HD1 LEU 41 -7.757 -0.816 -2.506 342 HD13 LEU 41 3HD1 LEU 41 -8.116 -0.878 -0.780 343 HD21 LEU 41 3HD2 LEU 41 -10.587 -0.504 -3.697 344 HD22 LEU 41 1HD2 LEU 41 -11.122 -1.267 -2.201 345 HD23 LEU 41 2HD2 LEU 41 -11.601 0.390 -2.565 346 H LYS 42 HN LYS 42 -12.340 0.894 1.992 347 HA LYS 42 HA LYS 42 -14.655 0.180 0.324 348 HB2 LYS 42 2HB LYS 42 -14.788 -0.853 2.487 349 HB3 LYS 42 3HB LYS 42 -14.423 0.666 3.296 350 HG2 LYS 42 2HG LYS 42 -16.557 1.584 2.547 351 HG3 LYS 42 3HG LYS 42 -16.920 0.070 1.716 352 HD2 LYS 42 2HD LYS 42 -18.050 0.197 3.883 353 HD3 LYS 42 3HD LYS 42 -16.877 -1.120 3.846 354 HE2 LYS 42 2HE LYS 42 -15.269 0.259 5.049 355 HE3 LYS 42 3HE LYS 42 -16.406 1.607 5.048 356 HZ1 LYS 42 3HZ LYS 42 -16.183 -0.084 7.065 357 HZ2 LYS 42 1HZ LYS 42 -17.362 -0.904 6.171 358 HZ3 LYS 42 2HZ LYS 42 -17.640 0.684 6.679 359 H VAL 43 HN VAL 43 -16.267 1.695 -0.080 360 HA VAL 43 HA VAL 43 -15.572 4.491 0.538 361 HB VAL 43 HB VAL 43 -16.767 3.497 -2.055 362 HG11 VAL 43 1HG1 VAL 43 -16.588 5.761 -2.831 363 HG12 VAL 43 2HG1 VAL 43 -17.493 5.762 -1.319 364 HG13 VAL 43 3HG1 VAL 43 -15.802 6.261 -1.334 365 HG21 VAL 43 3HG2 VAL 43 -14.703 3.747 -3.080 366 HG22 VAL 43 1HG2 VAL 43 -14.074 4.774 -1.791 367 HG23 VAL 43 2HG2 VAL 43 -14.269 3.042 -1.522 368 H GLU 44 HN GLU 44 -17.042 5.151 1.958 369 HA GLU 44 HA GLU 44 -19.874 4.589 1.384 370 HB2 GLU 44 2HB GLU 44 -20.101 4.861 3.972 371 HB3 GLU 44 3HB GLU 44 -19.582 3.323 3.296 372 HG2 GLU 44 2HG GLU 44 -17.223 4.031 3.706 373 HG3 GLU 44 3HG GLU 44 -17.863 5.435 4.563 374 H LYS 45 HN LYS 45 -21.370 6.220 1.990 375 HA LYS 45 HA LYS 45 -20.672 8.801 1.300 376 HB2 LYS 45 2HB LYS 45 -22.984 7.810 1.390 377 HB3 LYS 45 3HB LYS 45 -22.961 8.080 3.127 378 HG2 LYS 45 2HG LYS 45 -22.359 10.387 1.362 379 HG3 LYS 45 3HG LYS 45 -24.028 9.818 1.448 380 HD2 LYS 45 2HD LYS 45 -22.660 10.095 4.040 381 HD3 LYS 45 3HD LYS 45 -22.926 11.605 3.165 382 HE2 LYS 45 2HE LYS 45 -24.783 11.091 4.679 383 HE3 LYS 45 3HE LYS 45 -25.299 11.111 2.992 384 HZ1 LYS 45 3HZ LYS 45 -26.092 9.209 4.483 385 HZ2 LYS 45 1HZ LYS 45 -24.529 8.585 4.310 386 HZ3 LYS 45 2HZ LYS 45 -25.504 8.816 2.946 387 H VAL 46 HN VAL 46 -20.107 7.230 4.301 388 HA VAL 46 HA VAL 46 -19.942 9.727 5.775 389 HB VAL 46 HB VAL 46 -18.973 7.956 7.552 390 HG11 VAL 46 1HG1 VAL 46 -21.092 9.504 7.459 391 HG12 VAL 46 2HG1 VAL 46 -21.927 7.976 7.173 392 HG13 VAL 46 3HG1 VAL 46 -20.972 8.200 8.640 393 HG21 VAL 46 3HG2 VAL 46 -19.304 6.160 5.725 394 HG22 VAL 46 1HG2 VAL 46 -19.855 5.814 7.363 395 HG23 VAL 46 2HG2 VAL 46 -21.015 6.293 6.125 396 H THR 47 HN THR 47 -17.636 7.059 6.083 397 HA THR 47 HA THR 47 -15.488 8.909 5.290 398 HB THR 47 HB THR 47 -14.981 6.928 7.461 399 HG1 THR 47 1HG THR 47 -16.164 7.931 8.860 400 HG21 THR 47 3HG2 THR 47 -13.077 8.033 7.598 401 HG22 THR 47 1HG2 THR 47 -13.965 9.494 8.030 402 HG23 THR 47 2HG2 THR 47 -13.609 9.145 6.338 403 H HIS 48 HN HIS 48 -13.604 7.965 4.419 404 HA HIS 48 HA HIS 48 -14.099 5.434 3.079 405 HB2 HIS 48 2HB HIS 48 -11.710 7.271 2.823 406 HB3 HIS 48 3HB HIS 48 -12.159 5.965 1.732 407 HD1 HIS 48 1HD HIS 48 -13.476 6.648 -0.252 408 HD2 HIS 48 2HD HIS 48 -13.765 9.417 2.831 409 HE1 HIS 48 1HE HIS 48 -14.814 8.560 -1.190 410 HE2 HIS 48 2HE HIS 48 -15.051 10.183 0.722 411 H THR 49 HN THR 49 -12.921 3.570 3.360 412 HA THR 49 HA THR 49 -10.893 3.599 5.497 413 HB THR 49 HB THR 49 -12.792 1.297 5.161 414 HG1 THR 49 1HG THR 49 -13.179 3.551 6.838 415 HG21 THR 49 3HG2 THR 49 -11.254 2.312 7.539 416 HG22 THR 49 1HG2 THR 49 -10.843 0.905 6.560 417 HG23 THR 49 2HG2 THR 49 -12.325 0.911 7.515 418 H SER 50 HN SER 50 -9.047 2.609 5.034 419 HA SER 50 HA SER 50 -8.987 0.589 2.903 420 HB2 SER 50 2HB SER 50 -6.961 1.573 1.951 421 HB3 SER 50 3HB SER 50 -8.273 2.750 1.921 422 HG SER 50 HG SER 50 -7.315 3.463 4.021 423 H ASP 51 HN ASP 51 -7.640 -1.121 3.304 424 HA ASP 51 HA ASP 51 -5.885 -0.924 5.657 425 HB2 ASP 51 2HB ASP 51 -6.543 -3.161 6.352 426 HB3 ASP 51 3HB ASP 51 -7.970 -2.138 6.227 427 H ALA 52 HN ALA 52 -4.038 -2.288 5.647 428 HA ALA 52 HA ALA 52 -3.456 -3.748 3.194 429 HB1 ALA 52 1HB ALA 52 -2.311 -2.033 2.334 430 HB2 ALA 52 2HB ALA 52 -2.293 -1.161 3.866 431 HB3 ALA 52 3HB ALA 52 -1.087 -2.407 3.547 432 H THR 53 HN THR 53 -2.969 -5.675 3.952 433 HA THR 53 HA THR 53 -1.317 -5.899 6.378 434 HB THR 53 HB THR 53 -2.775 -8.205 5.137 435 HG1 THR 53 1HG THR 53 -4.568 -7.629 6.454 436 HG21 THR 53 3HG2 THR 53 -2.489 -7.622 8.052 437 HG22 THR 53 1HG2 THR 53 -1.185 -8.389 7.146 438 HG23 THR 53 2HG2 THR 53 -2.766 -9.164 7.241 439 H LEU 54 HN LEU 54 0.779 -6.163 5.975 440 HA LEU 54 HA LEU 54 1.596 -7.597 3.553 441 HB2 LEU 54 2HB LEU 54 2.973 -5.650 5.373 442 HB3 LEU 54 3HB LEU 54 3.903 -6.682 4.303 443 HG LEU 54 HG LEU 54 2.855 -5.709 2.356 444 HD11 LEU 54 1HD1 LEU 54 1.376 -3.611 2.892 445 HD12 LEU 54 2HD1 LEU 54 0.669 -5.225 2.828 446 HD13 LEU 54 3HD1 LEU 54 1.051 -4.491 4.385 447 HD21 LEU 54 3HD2 LEU 54 3.591 -3.343 2.633 448 HD22 LEU 54 1HD2 LEU 54 3.827 -3.670 4.349 449 HD23 LEU 54 2HD2 LEU 54 4.784 -4.535 3.146 450 H HIS 55 HN HIS 55 3.001 -9.341 3.612 451 HA HIS 55 HA HIS 55 3.046 -10.773 6.161 452 HB2 HIS 55 2HB HIS 55 3.251 -11.583 3.294 453 HB3 HIS 55 3HB HIS 55 3.971 -12.625 4.517 454 HD1 HIS 55 1HD HIS 55 2.434 -14.436 5.159 455 HD2 HIS 55 2HD HIS 55 0.383 -10.944 4.231 456 HE1 HIS 55 1HE HIS 55 0.000 -14.978 5.484 457 HE2 HIS 55 2HE HIS 55 -1.210 -12.817 5.031 458 H VAL 56 HN VAL 56 4.835 -11.076 7.318 459 HA VAL 56 HA VAL 56 7.405 -10.253 6.131 460 HB VAL 56 HB VAL 56 6.985 -10.478 9.091 461 HG11 VAL 56 1HG1 VAL 56 9.204 -10.063 8.688 462 HG12 VAL 56 2HG1 VAL 56 8.876 -9.109 7.242 463 HG13 VAL 56 3HG1 VAL 56 8.588 -8.419 8.840 464 HG21 VAL 56 3HG2 VAL 56 6.275 -8.050 7.446 465 HG22 VAL 56 1HG2 VAL 56 5.123 -9.103 8.266 466 HG23 VAL 56 2HG2 VAL 56 6.275 -8.154 9.206 467 H ASN 57 HN ASN 57 9.336 -11.369 7.187 468 HA ASN 57 HA ASN 57 9.443 -14.020 6.574 469 HB2 ASN 57 2HB ASN 57 11.012 -12.434 8.597 470 HB3 ASN 57 3HB ASN 57 11.374 -14.125 8.265 471 HD21 ASN 57 1HD2 ASN 57 11.155 -14.389 5.639 472 HD22 ASN 57 2HD2 ASN 57 12.252 -13.347 4.802 473 H GLY 58 HN GLY 58 9.550 -13.046 10.002 474 HA2 GLY 58 2HA GLY 58 7.970 -15.466 10.611 475 HA3 GLY 58 3HA GLY 58 9.175 -14.771 11.685 476 H GLY 59 HN GLY 59 6.925 -12.762 9.939 477 HA2 GLY 59 2HA GLY 59 5.032 -12.603 12.110 478 HA3 GLY 59 3HA GLY 59 6.088 -11.201 11.995 479 H GLU 60 HN GLU 60 3.472 -10.729 11.752 480 HA GLU 60 HA GLU 60 3.226 -10.014 8.925 481 HB2 GLU 60 2HB GLU 60 1.232 -11.569 10.543 482 HB3 GLU 60 3HB GLU 60 0.700 -10.548 9.214 483 HG2 GLU 60 2HG GLU 60 2.337 -11.817 7.762 484 HG3 GLU 60 3HG GLU 60 2.493 -12.952 9.102 485 H ILE 61 HN ILE 61 2.656 -7.954 8.653 486 HA ILE 61 HA ILE 61 1.717 -6.463 11.005 487 HB ILE 61 HB ILE 61 2.892 -5.345 8.458 488 HG12 ILE 61 2HG1 ILE 61 4.375 -5.371 11.050 489 HG13 ILE 61 3HG1 ILE 61 4.335 -6.852 10.098 490 HG21 ILE 61 1HG2 ILE 61 3.291 -3.382 10.093 491 HG22 ILE 61 2HG2 ILE 61 1.676 -3.625 9.429 492 HG23 ILE 61 3HG2 ILE 61 2.042 -4.156 11.069 493 HD11 ILE 61 3HD1 ILE 61 6.245 -5.063 9.814 494 HD12 ILE 61 1HD1 ILE 61 5.627 -5.985 8.443 495 HD13 ILE 61 2HD1 ILE 61 5.072 -4.334 8.719 496 H HIS 62 HN HIS 62 -0.145 -5.269 10.965 497 HA HIS 62 HA HIS 62 -1.691 -5.240 8.469 498 HB2 HIS 62 2HB HIS 62 -2.421 -7.077 10.092 499 HB3 HIS 62 3HB HIS 62 -2.972 -5.778 11.147 500 HD1 HIS 62 1HD HIS 62 -4.848 -7.922 9.782 501 HD2 HIS 62 2HD HIS 62 -4.209 -4.040 8.447 502 HE1 HIS 62 1HE HIS 62 -6.871 -7.344 8.403 503 HE2 HIS 62 2HE HIS 62 -6.422 -5.022 7.537 504 H ALA 63 HN ALA 63 -1.947 -3.168 7.960 505 HA ALA 63 HA ALA 63 -2.501 -1.252 10.133 506 HB1 ALA 63 1HB ALA 63 -0.614 -0.284 9.385 507 HB2 ALA 63 2HB ALA 63 -0.681 -1.120 7.833 508 HB3 ALA 63 3HB ALA 63 -1.652 0.329 8.096 509 H SER 64 HN SER 64 -4.044 0.414 9.720 510 HA SER 64 HA SER 64 -5.663 0.144 7.309 511 HB2 SER 64 2HB SER 64 -6.507 -1.118 9.559 512 HB3 SER 64 3HB SER 64 -7.221 0.476 9.804 513 HG SER 64 HG SER 64 -8.151 -1.441 8.301 514 H ALA 65 HN ALA 65 -5.845 2.119 6.458 515 HA ALA 65 HA ALA 65 -5.965 4.417 8.301 516 HB1 ALA 65 1HB ALA 65 -4.366 5.548 7.193 517 HB2 ALA 65 2HB ALA 65 -3.856 3.932 6.704 518 HB3 ALA 65 3HB ALA 65 -4.848 4.908 5.621 519 H GLU 66 HN GLU 66 -6.802 6.422 7.148 520 HA GLU 66 HA GLU 66 -8.866 5.802 5.166 521 HB2 GLU 66 2HB GLU 66 -10.461 7.268 6.489 522 HB3 GLU 66 3HB GLU 66 -10.132 5.679 7.167 523 HG2 GLU 66 2HG GLU 66 -9.211 6.525 9.014 524 HG3 GLU 66 3HG GLU 66 -8.320 7.758 8.122 525 H GLY 67 HN GLY 67 -9.764 7.775 4.149 526 HA2 GLY 67 2HA GLY 67 -8.308 10.245 4.523 527 HA3 GLY 67 3HA GLY 67 -7.928 9.411 3.025 528 H GLN 68 HN GLN 68 -8.924 11.893 2.837 529 HA GLN 68 HA GLN 68 -11.730 12.105 2.725 530 HB2 GLN 68 2HB GLN 68 -10.217 14.046 2.785 531 HB3 GLN 68 3HB GLN 68 -9.645 13.646 1.172 532 HG2 GLN 68 2HG GLN 68 -11.237 15.439 1.046 533 HG3 GLN 68 3HG GLN 68 -11.916 13.993 0.300 534 HE21 GLN 68 1HE2 GLN 68 -13.344 12.679 1.696 535 HE22 GLN 68 2HE2 GLN 68 -14.382 13.506 2.802 536 H ASP 69 HN ASP 69 -9.581 10.400 0.715 537 HA ASP 69 HA ASP 69 -11.734 9.769 -1.105 538 HB2 ASP 69 2HB ASP 69 -10.185 10.185 -3.105 539 HB3 ASP 69 3HB ASP 69 -10.917 11.599 -2.351 540 H MET 70 HN MET 70 -10.790 8.163 -2.848 541 HA MET 70 HA MET 70 -9.815 5.932 -1.421 542 HB2 MET 70 2HB MET 70 -11.245 5.916 -3.517 543 HB3 MET 70 3HB MET 70 -9.773 6.251 -4.419 544 HG2 MET 70 2HG MET 70 -9.621 4.035 -4.586 545 HG3 MET 70 3HG MET 70 -9.003 4.117 -2.936 546 HE1 MET 70 3HE MET 70 -12.236 1.492 -4.196 547 HE2 MET 70 1HE MET 70 -11.698 2.775 -5.280 548 HE3 MET 70 2HE MET 70 -10.523 1.660 -4.583 549 H TYR 71 HN TYR 71 -8.185 8.564 -2.867 550 HA TYR 71 HA TYR 71 -5.698 7.094 -3.229 551 HB2 TYR 71 2HB TYR 71 -6.202 10.054 -3.576 552 HB3 TYR 71 3HB TYR 71 -4.811 9.143 -4.151 553 HD1 TYR 71 1HD TYR 71 -5.874 6.846 -5.467 554 HD2 TYR 71 2HD TYR 71 -7.444 10.799 -5.371 555 HE1 TYR 71 1HE TYR 71 -7.020 6.437 -7.604 556 HE2 TYR 71 2HE TYR 71 -8.595 10.399 -7.507 557 HH TYR 71 HH TYR 71 -8.312 8.877 -9.495 558 H ALA 72 HN ALA 72 -7.109 9.526 -1.109 559 HA ALA 72 HA ALA 72 -4.784 10.179 0.335 560 HB1 ALA 72 1HB ALA 72 -6.792 11.551 0.416 561 HB2 ALA 72 2HB ALA 72 -7.662 10.254 1.234 562 HB3 ALA 72 3HB ALA 72 -6.313 11.055 2.038 563 H ALA 73 HN ALA 73 -7.350 7.811 0.995 564 HA ALA 73 HA ALA 73 -6.460 6.855 3.437 565 HB1 ALA 73 1HB ALA 73 -8.572 6.284 1.976 566 HB2 ALA 73 2HB ALA 73 -7.577 4.916 1.476 567 HB3 ALA 73 3HB ALA 73 -7.963 5.149 3.180 568 H ILE 74 HN ILE 74 -5.371 6.035 0.190 569 HA ILE 74 HA ILE 74 -3.701 3.867 1.036 570 HB ILE 74 HB ILE 74 -3.551 5.424 -1.549 571 HG12 ILE 74 2HG1 ILE 74 -5.815 4.492 -1.112 572 HG13 ILE 74 3HG1 ILE 74 -5.027 3.755 -2.503 573 HG21 ILE 74 1HG2 ILE 74 -1.624 4.179 -1.533 574 HG22 ILE 74 2HG2 ILE 74 -2.333 2.891 -0.560 575 HG23 ILE 74 3HG2 ILE 74 -2.744 3.033 -2.269 576 HD11 ILE 74 3HD1 ILE 74 -6.056 2.526 -0.133 577 HD12 ILE 74 1HD1 ILE 74 -5.453 1.778 -1.614 578 HD13 ILE 74 2HD1 ILE 74 -4.337 2.169 -0.305 579 H ASP 75 HN ASP 75 -3.325 7.310 0.682 580 HA ASP 75 HA ASP 75 -0.495 7.391 0.572 581 HB2 ASP 75 2HB ASP 75 -2.667 9.280 0.697 582 HB3 ASP 75 3HB ASP 75 -1.396 9.756 1.821 583 H GLY 76 HN GLY 76 -2.728 8.014 3.291 584 HA2 GLY 76 2HA GLY 76 -0.635 8.132 5.224 585 HA3 GLY 76 3HA GLY 76 -2.355 8.007 5.564 586 H LEU 77 HN LEU 77 -2.556 5.558 3.898 587 HA LEU 77 HA LEU 77 -2.020 3.670 5.976 588 HB2 LEU 77 2HB LEU 77 -3.978 3.318 4.691 589 HB3 LEU 77 3HB LEU 77 -3.102 3.450 3.179 590 HG LEU 77 HG LEU 77 -2.374 1.217 5.010 591 HD11 LEU 77 1HD1 LEU 77 -4.989 1.552 4.646 592 HD12 LEU 77 2HD1 LEU 77 -4.609 0.731 3.132 593 HD13 LEU 77 3HD1 LEU 77 -4.230 -0.040 4.673 594 HD21 LEU 77 3HD2 LEU 77 -2.778 0.582 2.236 595 HD22 LEU 77 1HD2 LEU 77 -1.761 2.012 2.395 596 HD23 LEU 77 2HD2 LEU 77 -1.301 0.513 3.197 597 H ILE 78 HN ILE 78 -0.812 4.077 2.660 598 HA ILE 78 HA ILE 78 1.155 2.026 2.888 599 HB ILE 78 HB ILE 78 0.774 4.261 0.900 600 HG12 ILE 78 2HG1 ILE 78 -0.863 2.467 0.776 601 HG13 ILE 78 3HG1 ILE 78 0.209 2.390 -0.616 602 HG21 ILE 78 1HG2 ILE 78 2.469 2.703 -0.419 603 HG22 ILE 78 2HG2 ILE 78 3.022 4.034 0.598 604 HG23 ILE 78 3HG2 ILE 78 3.050 2.381 1.214 605 HD11 ILE 78 3HD1 ILE 78 0.595 0.270 -0.145 606 HD12 ILE 78 1HD1 ILE 78 1.360 0.767 1.365 607 HD13 ILE 78 2HD1 ILE 78 -0.362 0.388 1.331 608 H ASP 79 HN ASP 79 1.010 5.225 4.038 609 HA ASP 79 HA ASP 79 3.833 5.766 3.965 610 HB2 ASP 79 2HB ASP 79 1.403 7.140 4.932 611 HB3 ASP 79 3HB ASP 79 2.867 7.477 5.852 612 H LYS 80 HN LYS 80 1.495 4.985 6.533 613 HA LYS 80 HA LYS 80 3.384 4.730 8.599 614 HB2 LYS 80 2HB LYS 80 1.625 3.607 9.847 615 HB3 LYS 80 3HB LYS 80 0.963 4.992 8.989 616 HG2 LYS 80 2HG LYS 80 0.004 3.563 7.312 617 HG3 LYS 80 3HG LYS 80 0.784 2.147 8.021 618 HD2 LYS 80 2HD LYS 80 -1.055 1.853 9.243 619 HD3 LYS 80 3HD LYS 80 -0.629 3.323 10.121 620 HE2 LYS 80 2HE LYS 80 -1.809 4.525 8.138 621 HE3 LYS 80 3HE LYS 80 -2.554 2.951 7.862 622 HZ1 LYS 80 3HZ LYS 80 -3.752 3.077 9.772 623 HZ2 LYS 80 1HZ LYS 80 -3.641 4.731 9.435 624 HZ3 LYS 80 2HZ LYS 80 -2.612 4.031 10.579 625 H LEU 81 HN LEU 81 2.182 2.450 6.207 626 HA LEU 81 HA LEU 81 3.221 0.109 7.371 627 HB2 LEU 81 2HB LEU 81 2.311 0.871 4.648 628 HB3 LEU 81 3HB LEU 81 3.250 -0.601 4.821 629 HG LEU 81 HG LEU 81 1.243 -0.637 6.828 630 HD11 LEU 81 1HD1 LEU 81 -0.383 0.581 5.915 631 HD12 LEU 81 2HD1 LEU 81 0.374 0.583 4.322 632 HD13 LEU 81 3HD1 LEU 81 -0.590 -0.800 4.837 633 HD21 LEU 81 3HD2 LEU 81 0.861 -2.293 4.435 634 HD22 LEU 81 1HD2 LEU 81 2.461 -2.398 5.170 635 HD23 LEU 81 2HD2 LEU 81 1.026 -2.758 6.128 636 H ALA 82 HN ALA 82 4.581 2.271 4.884 637 HA ALA 82 HA ALA 82 6.936 0.880 4.396 638 HB1 ALA 82 1HB ALA 82 7.255 3.791 4.423 639 HB2 ALA 82 2HB ALA 82 7.478 2.633 3.112 640 HB3 ALA 82 3HB ALA 82 5.862 3.219 3.505 641 H ARG 83 HN ARG 83 6.581 3.683 6.575 642 HA ARG 83 HA ARG 83 9.095 3.623 7.713 643 HB2 ARG 83 2HB ARG 83 6.593 4.335 9.240 644 HB3 ARG 83 3HB ARG 83 8.217 4.967 9.478 645 HG2 ARG 83 2HG ARG 83 7.779 5.655 6.897 646 HG3 ARG 83 3HG ARG 83 6.146 5.754 7.556 647 HD2 ARG 83 2HD ARG 83 7.874 6.954 9.438 648 HD3 ARG 83 3HD ARG 83 8.324 7.580 7.854 649 HE ARG 83 HE ARG 83 5.493 7.611 8.349 650 HH11 ARG 83 2HH1 ARG 83 8.488 9.357 8.749 651 HH12 ARG 83 1HH1 ARG 83 7.715 10.902 8.877 652 HH21 ARG 83 2HH2 ARG 83 4.474 9.641 8.517 653 HH22 ARG 83 1HH2 ARG 83 5.436 11.063 8.745 654 H GLN 84 HN GLN 84 6.292 1.654 8.506 655 HA GLN 84 HA GLN 84 7.406 0.594 10.922 656 HB2 GLN 84 2HB GLN 84 5.082 -0.252 9.196 657 HB3 GLN 84 3HB GLN 84 5.536 -1.100 10.668 658 HG2 GLN 84 2HG GLN 84 5.264 1.765 11.063 659 HG3 GLN 84 3HG GLN 84 3.784 1.007 10.478 660 HE21 GLN 84 1HE2 GLN 84 3.568 -1.303 11.636 661 HE22 GLN 84 2HE2 GLN 84 3.604 -1.196 13.360 662 H LEU 85 HN LEU 85 7.038 -0.607 7.613 663 HA LEU 85 HA LEU 85 8.130 -3.150 7.994 664 HB2 LEU 85 2HB LEU 85 7.788 -1.346 5.647 665 HB3 LEU 85 3HB LEU 85 8.818 -2.751 5.469 666 HG LEU 85 HG LEU 85 6.379 -2.966 4.738 667 HD11 LEU 85 1HD1 LEU 85 6.378 -5.250 6.255 668 HD12 LEU 85 2HD1 LEU 85 7.188 -5.037 4.704 669 HD13 LEU 85 3HD1 LEU 85 8.086 -4.811 6.204 670 HD21 LEU 85 3HD2 LEU 85 6.053 -2.748 7.700 671 HD22 LEU 85 1HD2 LEU 85 5.055 -2.094 6.403 672 HD23 LEU 85 2HD2 LEU 85 4.991 -3.813 6.783 673 H THR 86 HN THR 86 9.693 -0.085 7.153 674 HA THR 86 HA THR 86 12.287 -1.137 6.802 675 HB THR 86 HB THR 86 12.733 1.438 7.623 676 HG1 THR 86 1HG THR 86 10.257 1.563 6.284 677 HG21 THR 86 3HG2 THR 86 13.523 1.432 5.561 678 HG22 THR 86 1HG2 THR 86 11.883 1.725 4.985 679 HG23 THR 86 2HG2 THR 86 12.492 0.075 5.111 680 H LYS 87 HN LYS 87 10.602 0.164 9.621 681 HA LYS 87 HA LYS 87 12.705 0.317 11.415 682 HB2 LYS 87 2HB LYS 87 9.772 -0.064 11.647 683 HB3 LYS 87 3HB LYS 87 10.734 -0.435 13.071 684 HG2 LYS 87 2HG LYS 87 11.727 2.000 12.217 685 HG3 LYS 87 3HG LYS 87 9.987 2.127 11.951 686 HD2 LYS 87 2HD LYS 87 10.129 0.953 14.428 687 HD3 LYS 87 3HD LYS 87 11.508 2.052 14.447 688 HE2 LYS 87 2HE LYS 87 9.800 3.395 15.237 689 HE3 LYS 87 3HE LYS 87 9.820 3.786 13.519 690 HZ1 LYS 87 3HZ LYS 87 7.620 3.106 14.857 691 HZ2 LYS 87 1HZ LYS 87 8.090 1.585 14.281 692 HZ3 LYS 87 2HZ LYS 87 7.816 2.855 13.196 693 H HIS 88 HN HIS 88 10.426 -2.426 11.182 694 HA HIS 88 HA HIS 88 11.999 -4.105 12.821 695 HB2 HIS 88 2HB HIS 88 10.395 -5.764 12.458 696 HB3 HIS 88 3HB HIS 88 9.485 -4.269 12.278 697 HD1 HIS 88 1HD HIS 88 7.998 -4.248 10.315 698 HD2 HIS 88 2HD HIS 88 11.260 -6.755 9.737 699 HE1 HIS 88 1HE HIS 88 7.635 -5.318 8.070 700 HE2 HIS 88 2HE HIS 88 9.668 -6.758 7.699 701 H LYS 89 HN LYS 89 11.788 -3.728 9.316 702 HA LYS 89 HA LYS 89 13.303 -5.987 8.612 703 HB2 LYS 89 2HB LYS 89 11.913 -4.526 7.075 704 HB3 LYS 89 3HB LYS 89 13.257 -3.390 7.078 705 HG2 LYS 89 2HG LYS 89 14.274 -5.978 6.485 706 HG3 LYS 89 3HG LYS 89 12.874 -5.677 5.456 707 HD2 LYS 89 2HD LYS 89 14.055 -3.331 5.149 708 HD3 LYS 89 3HD LYS 89 15.491 -4.266 5.575 709 HE2 LYS 89 2HE LYS 89 13.566 -4.873 3.332 710 HE3 LYS 89 3HE LYS 89 15.183 -4.193 3.159 711 HZ1 LYS 89 3HZ LYS 89 16.120 -6.194 3.371 712 HZ2 LYS 89 1HZ LYS 89 14.584 -6.820 3.041 713 HZ3 LYS 89 2HZ LYS 89 15.107 -6.663 4.641 714 H ASP 90 HN ASP 90 14.247 -3.020 10.050 715 HA ASP 90 HA ASP 90 16.933 -2.943 9.111 716 HB2 ASP 90 2HB ASP 90 15.392 -1.152 10.388 717 HB3 ASP 90 3HB ASP 90 16.276 -1.790 11.771 718 H LYS 91 HN LYS 91 15.322 -4.408 11.869 719 HA LYS 91 HA LYS 91 17.547 -5.110 13.396 720 HB2 LYS 91 2HB LYS 91 14.786 -6.221 13.105 721 HB3 LYS 91 3HB LYS 91 15.970 -7.116 14.045 722 HG2 LYS 91 2HG LYS 91 15.295 -5.873 15.763 723 HG3 LYS 91 3HG LYS 91 16.243 -4.577 15.029 724 HD2 LYS 91 2HD LYS 91 14.187 -3.934 13.741 725 HD3 LYS 91 3HD LYS 91 13.291 -5.102 14.714 726 HE2 LYS 91 2HE LYS 91 14.866 -2.785 15.828 727 HE3 LYS 91 3HE LYS 91 13.125 -2.772 15.553 728 HZ1 LYS 91 3HZ LYS 91 12.743 -4.078 17.333 729 HZ2 LYS 91 1HZ LYS 91 14.223 -3.453 17.863 730 HZ3 LYS 91 2HZ LYS 91 14.161 -4.980 17.139 731 H LEU 92 HN LEU 92 15.970 -6.847 10.739 732 HA LEU 92 HA LEU 92 18.104 -8.855 10.807 733 HB2 LEU 92 2HB LEU 92 15.412 -8.786 9.460 734 HB3 LEU 92 3HB LEU 92 16.612 -10.011 9.099 735 HG LEU 92 HG LEU 92 16.579 -10.453 11.663 736 HD11 LEU 92 1HD1 LEU 92 13.992 -8.973 11.241 737 HD12 LEU 92 2HD1 LEU 92 14.302 -10.041 12.610 738 HD13 LEU 92 3HD1 LEU 92 15.280 -8.591 12.384 739 HD21 LEU 92 3HD2 LEU 92 14.028 -11.342 10.489 740 HD22 LEU 92 1HD2 LEU 92 15.475 -11.695 9.544 741 HD23 LEU 92 2HD2 LEU 92 15.341 -12.279 11.202 742 H LYS 93 HN LYS 93 19.667 -7.340 9.945 743 HA LYS 93 HA LYS 93 19.287 -6.322 7.272 744 HB2 LYS 93 2HB LYS 93 21.462 -6.179 9.318 745 HB3 LYS 93 3HB LYS 93 21.847 -5.813 7.643 746 HG2 LYS 93 2HG LYS 93 19.522 -4.475 8.953 747 HG3 LYS 93 3HG LYS 93 21.163 -3.911 9.273 748 HD2 LYS 93 2HD LYS 93 20.973 -2.688 7.416 749 HD3 LYS 93 3HD LYS 93 21.085 -4.205 6.520 750 HE2 LYS 93 2HE LYS 93 18.777 -4.358 6.255 751 HE3 LYS 93 3HE LYS 93 18.454 -3.238 7.579 752 HZ1 LYS 93 3HZ LYS 93 19.066 -1.415 6.271 753 HZ2 LYS 93 1HZ LYS 93 18.128 -2.375 5.239 754 HZ3 LYS 93 2HZ LYS 93 19.813 -2.376 5.096 755 H GLN 94 HN GLN 94 21.416 -8.726 8.805 756 HA GLN 94 HA GLN 94 21.838 -9.912 6.139 757 HB2 GLN 94 2HB GLN 94 23.986 -10.801 7.076 758 HB3 GLN 94 3HB GLN 94 23.927 -9.050 6.926 759 HG2 GLN 94 2HG GLN 94 22.981 -9.762 9.511 760 HG3 GLN 94 3HG GLN 94 24.498 -10.607 9.213 761 HE21 GLN 94 1HE2 GLN 94 23.022 -7.401 8.887 762 HE22 GLN 94 2HE2 GLN 94 24.438 -6.514 9.322 763 H HIS 95 HN HIS 95 20.302 -11.477 6.105 764 HA HIS 95 HA HIS 95 20.433 -13.501 8.243 765 HB2 HIS 95 2HB HIS 95 18.305 -12.066 8.127 766 HB3 HIS 95 3HB HIS 95 17.947 -12.934 6.638 767 HD1 HIS 95 1HD HIS 95 17.913 -15.672 6.982 768 HD2 HIS 95 2HD HIS 95 17.366 -13.297 10.346 769 HE1 HIS 95 1HE HIS 95 16.853 -17.174 8.698 770 HE2 HIS 95 2HE HIS 95 16.453 -15.691 10.697 Start of MODEL 16 1 H1 MET 1 1H MET 1 0.517 -17.012 -5.458 2 H2 MET 1 2H MET 1 0.508 -18.385 -4.429 3 H3 MET 1 3H MET 1 1.958 -17.908 -5.214 4 HA MET 1 HA MET 1 0.527 -16.593 -3.018 5 HB2 MET 1 2HB MET 1 3.408 -17.442 -3.383 6 HB3 MET 1 3HB MET 1 2.668 -16.845 -1.902 7 HG2 MET 1 2HG MET 1 1.198 -18.826 -1.880 8 HG3 MET 1 3HG MET 1 2.041 -19.433 -3.304 9 HE1 MET 1 2HE MET 1 1.656 -21.229 -1.290 10 HE2 MET 1 3HE MET 1 3.092 -21.767 -0.419 11 HE3 MET 1 1HE MET 1 2.005 -20.590 0.316 12 H GLN 2 HN GLN 2 0.021 -14.651 -4.099 13 HA GLN 2 HA GLN 2 2.332 -12.897 -4.482 14 HB2 GLN 2 2HB GLN 2 0.807 -13.907 -6.614 15 HB3 GLN 2 3HB GLN 2 0.257 -12.252 -6.392 16 HG2 GLN 2 2HG GLN 2 2.335 -11.358 -6.874 17 HG3 GLN 2 3HG GLN 2 3.178 -12.865 -6.517 18 HE21 GLN 2 1HE2 GLN 2 3.989 -13.771 -8.253 19 HE22 GLN 2 2HE2 GLN 2 3.295 -13.766 -9.833 20 H LEU 3 HN LEU 3 0.827 -10.651 -5.341 21 HA LEU 3 HA LEU 3 -0.649 -10.085 -2.865 22 HB2 LEU 3 2HB LEU 3 -0.108 -7.801 -3.127 23 HB3 LEU 3 3HB LEU 3 1.365 -8.697 -3.433 24 HG LEU 3 HG LEU 3 -0.200 -8.087 -5.848 25 HD11 LEU 3 1HD1 LEU 3 0.619 -5.965 -3.960 26 HD12 LEU 3 2HD1 LEU 3 0.995 -5.708 -5.664 27 HD13 LEU 3 3HD1 LEU 3 -0.673 -5.983 -5.160 28 HD21 LEU 3 3HD2 LEU 3 1.840 -8.856 -6.445 29 HD22 LEU 3 1HD2 LEU 3 2.277 -7.156 -6.278 30 HD23 LEU 3 2HD2 LEU 3 2.611 -8.285 -4.965 31 H ASN 4 HN ASN 4 -2.712 -9.292 -2.896 32 HA ASN 4 HA ASN 4 -3.969 -8.771 -5.484 33 HB2 ASN 4 2HB ASN 4 -4.296 -11.198 -4.846 34 HB3 ASN 4 3HB ASN 4 -5.233 -10.630 -3.467 35 HD21 ASN 4 1HD2 ASN 4 -7.307 -10.859 -3.826 36 HD22 ASN 4 2HD2 ASN 4 -8.128 -10.557 -5.317 37 H ILE 5 HN ILE 5 -6.072 -7.730 -5.299 38 HA ILE 5 HA ILE 5 -6.464 -6.340 -2.733 39 HB ILE 5 HB ILE 5 -7.360 -4.456 -4.414 40 HG12 ILE 5 2HG1 ILE 5 -4.935 -5.520 -5.866 41 HG13 ILE 5 3HG1 ILE 5 -6.581 -5.883 -6.375 42 HG21 ILE 5 1HG2 ILE 5 -5.239 -4.759 -2.666 43 HG22 ILE 5 2HG2 ILE 5 -4.493 -4.159 -4.146 44 HG23 ILE 5 3HG2 ILE 5 -5.802 -3.252 -3.387 45 HD11 ILE 5 3HD1 ILE 5 -6.154 -3.045 -5.979 46 HD12 ILE 5 1HD1 ILE 5 -5.057 -3.739 -7.172 47 HD13 ILE 5 2HD1 ILE 5 -6.801 -3.913 -7.370 48 H THR 6 HN THR 6 -8.639 -5.626 -2.314 49 HA THR 6 HA THR 6 -10.709 -6.695 -4.073 50 HB THR 6 HB THR 6 -10.682 -7.249 -1.102 51 HG1 THR 6 1HG THR 6 -10.199 -9.382 -1.697 52 HG21 THR 6 3HG2 THR 6 -12.526 -8.669 -1.454 53 HG22 THR 6 1HG2 THR 6 -12.379 -8.551 -3.207 54 HG23 THR 6 2HG2 THR 6 -12.908 -7.153 -2.270 55 H GLY 7 HN GLY 7 -12.082 -5.089 -4.458 56 HA2 GLY 7 2HA GLY 7 -12.273 -2.910 -2.496 57 HA3 GLY 7 3HA GLY 7 -12.717 -2.805 -4.192 58 H ASN 8 HN ASN 8 -14.049 -2.492 -1.369 59 HA ASN 8 HA ASN 8 -16.465 -4.055 -1.983 60 HB2 ASN 8 2HB ASN 8 -17.035 -3.367 0.474 61 HB3 ASN 8 3HB ASN 8 -15.895 -4.675 0.185 62 HD21 ASN 8 1HD2 ASN 8 -15.565 -3.875 2.528 63 HD22 ASN 8 2HD2 ASN 8 -14.279 -2.741 2.737 64 H ASN 9 HN ASN 9 -18.025 -2.948 -2.938 65 HA ASN 9 HA ASN 9 -19.514 -1.299 -3.441 66 HB2 ASN 9 2HB ASN 9 -19.520 -1.071 -0.872 67 HB3 ASN 9 3HB ASN 9 -18.477 0.324 -1.125 68 HD21 ASN 9 1HD2 ASN 9 -21.634 -0.773 -0.952 69 HD22 ASN 9 2HD2 ASN 9 -22.430 0.628 -1.572 70 H VAL 10 HN VAL 10 -16.857 -1.358 -4.539 71 HA VAL 10 HA VAL 10 -16.787 1.336 -5.593 72 HB VAL 10 HB VAL 10 -15.273 1.492 -3.665 73 HG11 VAL 10 1HG1 VAL 10 -14.599 -1.064 -4.186 74 HG12 VAL 10 2HG1 VAL 10 -13.224 -0.218 -4.897 75 HG13 VAL 10 3HG1 VAL 10 -13.631 0.032 -3.199 76 HG21 VAL 10 3HG2 VAL 10 -13.890 2.857 -4.790 77 HG22 VAL 10 1HG2 VAL 10 -13.320 1.569 -5.850 78 HG23 VAL 10 2HG2 VAL 10 -14.840 2.391 -6.200 79 H GLU 11 HN GLU 11 -16.187 1.381 -7.698 80 HA GLU 11 HA GLU 11 -15.833 -1.113 -9.056 81 HB2 GLU 11 2HB GLU 11 -15.670 0.316 -11.094 82 HB3 GLU 11 3HB GLU 11 -17.117 0.606 -10.138 83 HG2 GLU 11 2HG GLU 11 -14.932 2.339 -9.355 84 HG3 GLU 11 3HG GLU 11 -15.336 2.502 -11.064 85 H ILE 12 HN ILE 12 -13.980 -2.143 -9.365 86 HA ILE 12 HA ILE 12 -11.460 -0.843 -8.808 87 HB ILE 12 HB ILE 12 -12.044 -3.672 -9.694 88 HG12 ILE 12 2HG1 ILE 12 -12.935 -2.950 -7.444 89 HG13 ILE 12 3HG1 ILE 12 -11.808 -4.302 -7.401 90 HG21 ILE 12 1HG2 ILE 12 -9.629 -3.771 -8.464 91 HG22 ILE 12 2HG2 ILE 12 -9.857 -3.666 -10.210 92 HG23 ILE 12 3HG2 ILE 12 -9.535 -2.206 -9.272 93 HD11 ILE 12 3HD1 ILE 12 -10.364 -1.853 -7.118 94 HD12 ILE 12 1HD1 ILE 12 -11.689 -1.904 -5.955 95 HD13 ILE 12 2HD1 ILE 12 -10.501 -3.207 -5.997 96 H THR 13 HN THR 13 -11.068 0.622 -10.439 97 HA THR 13 HA THR 13 -11.023 -0.365 -13.198 98 HB THR 13 HB THR 13 -10.702 2.034 -13.793 99 HG1 THR 13 1HG THR 13 -10.344 3.462 -12.305 100 HG21 THR 13 3HG2 THR 13 -13.076 1.176 -12.214 101 HG22 THR 13 1HG2 THR 13 -12.934 1.540 -13.935 102 HG23 THR 13 2HG2 THR 13 -12.937 2.850 -12.754 103 H GLU 14 HN GLU 14 -9.178 -0.257 -14.488 104 HA GLU 14 HA GLU 14 -6.802 -1.094 -13.573 105 HB2 GLU 14 2HB GLU 14 -7.688 0.285 -15.985 106 HB3 GLU 14 3HB GLU 14 -5.990 0.569 -15.630 107 HG2 GLU 14 2HG GLU 14 -5.764 -1.310 -16.857 108 HG3 GLU 14 3HG GLU 14 -6.024 -2.063 -15.284 109 H ALA 15 HN ALA 15 -7.880 2.252 -13.526 110 HA ALA 15 HA ALA 15 -5.378 3.420 -12.917 111 HB1 ALA 15 1HB ALA 15 -8.203 4.353 -12.456 112 HB2 ALA 15 2HB ALA 15 -6.785 5.333 -12.087 113 HB3 ALA 15 3HB ALA 15 -7.099 4.829 -13.747 114 H LEU 16 HN LEU 16 -8.085 2.369 -10.869 115 HA LEU 16 HA LEU 16 -7.060 3.150 -8.400 116 HB2 LEU 16 2HB LEU 16 -9.351 2.013 -9.182 117 HB3 LEU 16 3HB LEU 16 -8.551 0.587 -8.551 118 HG LEU 16 HG LEU 16 -8.154 2.095 -6.441 119 HD11 LEU 16 1HD1 LEU 16 -10.566 3.391 -6.437 120 HD12 LEU 16 2HD1 LEU 16 -8.995 4.150 -6.692 121 HD13 LEU 16 3HD1 LEU 16 -9.981 3.678 -8.076 122 HD21 LEU 16 3HD2 LEU 16 -10.976 1.377 -6.488 123 HD22 LEU 16 1HD2 LEU 16 -9.928 0.102 -7.112 124 HD23 LEU 16 2HD2 LEU 16 -9.661 0.749 -5.494 125 H ARG 17 HN ARG 17 -7.076 -0.195 -9.627 126 HA ARG 17 HA ARG 17 -5.370 -1.336 -7.815 127 HB2 ARG 17 2HB ARG 17 -4.802 -2.993 -9.565 128 HB3 ARG 17 3HB ARG 17 -6.528 -2.672 -9.464 129 HG2 ARG 17 2HG ARG 17 -6.480 -1.349 -11.438 130 HG3 ARG 17 3HG ARG 17 -4.716 -1.360 -11.473 131 HD2 ARG 17 2HD ARG 17 -6.304 -3.902 -11.620 132 HD3 ARG 17 3HD ARG 17 -5.974 -2.941 -13.059 133 HE ARG 17 HE ARG 17 -3.726 -3.513 -12.915 134 HH11 ARG 17 2HH1 ARG 17 -5.493 -4.791 -10.183 135 HH12 ARG 17 1HH1 ARG 17 -4.226 -5.874 -9.717 136 HH21 ARG 17 2HH2 ARG 17 -2.065 -4.934 -12.296 137 HH22 ARG 17 1HH2 ARG 17 -2.281 -5.954 -10.913 138 H GLU 18 HN GLU 18 -4.514 0.494 -10.708 139 HA GLU 18 HA GLU 18 -1.744 0.035 -10.647 140 HB2 GLU 18 2HB GLU 18 -3.556 2.001 -11.924 141 HB3 GLU 18 3HB GLU 18 -1.872 2.484 -11.769 142 HG2 GLU 18 2HG GLU 18 -2.769 -0.092 -13.034 143 HG3 GLU 18 3HG GLU 18 -2.455 1.395 -13.929 144 H PHE 19 HN PHE 19 -3.643 2.776 -9.371 145 HA PHE 19 HA PHE 19 -1.627 4.295 -8.297 146 HB2 PHE 19 2HB PHE 19 -4.022 4.934 -8.341 147 HB3 PHE 19 3HB PHE 19 -4.328 3.801 -7.028 148 HD1 PHE 19 1HD PHE 19 -3.384 4.226 -4.785 149 HD2 PHE 19 2HD PHE 19 -3.070 7.068 -7.936 150 HE1 PHE 19 1HE PHE 19 -2.846 5.978 -3.145 151 HE2 PHE 19 2HE PHE 19 -2.531 8.826 -6.302 152 HZ PHE 19 HZ PHE 19 -2.419 8.282 -3.902 153 H VAL 20 HN VAL 20 -3.352 1.621 -6.693 154 HA VAL 20 HA VAL 20 -1.951 1.733 -4.263 155 HB VAL 20 HB VAL 20 -2.995 -0.825 -5.467 156 HG11 VAL 20 1HG1 VAL 20 -1.722 -0.420 -3.130 157 HG12 VAL 20 2HG1 VAL 20 -3.390 -0.146 -2.627 158 HG13 VAL 20 3HG1 VAL 20 -2.936 -1.676 -3.380 159 HG21 VAL 20 3HG2 VAL 20 -4.469 1.591 -4.874 160 HG22 VAL 20 1HG2 VAL 20 -5.018 0.095 -5.630 161 HG23 VAL 20 2HG2 VAL 20 -5.015 0.245 -3.872 162 H THR 21 HN THR 21 -1.418 -0.309 -7.130 163 HA THR 21 HA THR 21 0.892 -1.594 -6.176 164 HB THR 21 HB THR 21 0.422 -1.012 -9.090 165 HG1 THR 21 1HG THR 21 -0.921 -2.973 -7.546 166 HG21 THR 21 3HG2 THR 21 1.871 -2.635 -9.457 167 HG22 THR 21 1HG2 THR 21 0.952 -3.742 -8.436 168 HG23 THR 21 2HG2 THR 21 2.184 -2.702 -7.722 169 H ALA 22 HN ALA 22 0.374 1.572 -7.465 170 HA ALA 22 HA ALA 22 2.856 2.223 -8.511 171 HB1 ALA 22 1HB ALA 22 1.576 4.313 -6.871 172 HB2 ALA 22 2HB ALA 22 2.094 4.348 -8.556 173 HB3 ALA 22 3HB ALA 22 0.564 3.586 -8.120 174 H LYS 23 HN LYS 23 1.748 2.378 -5.140 175 HA LYS 23 HA LYS 23 4.293 3.280 -4.161 176 HB2 LYS 23 2HB LYS 23 2.108 2.017 -2.511 177 HB3 LYS 23 3HB LYS 23 3.334 3.167 -1.994 178 HG2 LYS 23 2HG LYS 23 1.093 3.783 -3.908 179 HG3 LYS 23 3HG LYS 23 1.095 4.167 -2.185 180 HD2 LYS 23 2HD LYS 23 2.718 5.798 -2.417 181 HD3 LYS 23 3HD LYS 23 3.346 5.103 -3.913 182 HE2 LYS 23 2HE LYS 23 1.578 5.964 -5.187 183 HE3 LYS 23 3HE LYS 23 0.585 6.266 -3.762 184 HZ1 LYS 23 3HZ LYS 23 1.795 8.139 -3.213 185 HZ2 LYS 23 1HZ LYS 23 1.750 8.232 -4.903 186 HZ3 LYS 23 2HZ LYS 23 3.146 7.682 -4.121 187 H PHE 24 HN PHE 24 2.495 0.231 -4.147 188 HA PHE 24 HA PHE 24 4.323 -1.335 -2.739 189 HB2 PHE 24 2HB PHE 24 2.069 -1.828 -4.580 190 HB3 PHE 24 3HB PHE 24 3.244 -3.135 -4.474 191 HD1 PHE 24 1HD PHE 24 0.752 -1.171 -2.644 192 HD2 PHE 24 2HD PHE 24 3.512 -4.407 -2.453 193 HE1 PHE 24 1HE PHE 24 -0.292 -1.934 -0.550 194 HE2 PHE 24 2HE PHE 24 2.471 -5.176 -0.360 195 HZ PHE 24 HZ PHE 24 0.567 -3.940 0.593 196 H ALA 25 HN ALA 25 4.698 0.131 -5.758 197 HA ALA 25 HA ALA 25 6.519 -1.837 -6.856 198 HB1 ALA 25 1HB ALA 25 4.999 -0.351 -8.245 199 HB2 ALA 25 2HB ALA 25 6.098 0.971 -7.855 200 HB3 ALA 25 3HB ALA 25 6.688 -0.429 -8.748 201 H LYS 26 HN LYS 26 6.682 1.477 -5.590 202 HA LYS 26 HA LYS 26 9.518 1.635 -5.670 203 HB2 LYS 26 2HB LYS 26 7.314 3.346 -4.952 204 HB3 LYS 26 3HB LYS 26 8.571 3.444 -3.726 205 HG2 LYS 26 2HG LYS 26 9.528 3.577 -6.499 206 HG3 LYS 26 3HG LYS 26 8.513 4.926 -5.985 207 HD2 LYS 26 2HD LYS 26 10.693 5.598 -5.449 208 HD3 LYS 26 3HD LYS 26 10.021 5.030 -3.918 209 HE2 LYS 26 2HE LYS 26 11.072 2.749 -4.651 210 HE3 LYS 26 3HE LYS 26 12.077 3.770 -5.678 211 HZ1 LYS 26 3HZ LYS 26 11.829 4.594 -2.901 212 HZ2 LYS 26 1HZ LYS 26 13.181 4.609 -3.919 213 HZ3 LYS 26 2HZ LYS 26 12.700 3.169 -3.173 214 H LEU 27 HN LEU 27 7.355 0.076 -3.544 215 HA LEU 27 HA LEU 27 9.144 0.187 -1.258 216 HB2 LEU 27 2HB LEU 27 6.415 -0.906 -1.757 217 HB3 LEU 27 3HB LEU 27 7.355 -1.571 -0.434 218 HG LEU 27 HG LEU 27 7.633 0.913 0.292 219 HD11 LEU 27 1HD1 LEU 27 5.844 2.378 -0.332 220 HD12 LEU 27 2HD1 LEU 27 6.649 1.817 -1.797 221 HD13 LEU 27 3HD1 LEU 27 5.099 1.121 -1.321 222 HD21 LEU 27 3HD2 LEU 27 4.837 0.094 0.712 223 HD22 LEU 27 1HD2 LEU 27 6.056 -1.116 1.119 224 HD23 LEU 27 2HD2 LEU 27 6.101 0.473 1.884 225 H GLU 28 HN GLU 28 7.979 -2.175 -3.618 226 HA GLU 28 HA GLU 28 9.254 -4.438 -2.600 227 HB2 GLU 28 2HB GLU 28 9.000 -5.401 -4.812 228 HB3 GLU 28 3HB GLU 28 7.554 -4.496 -4.383 229 HG2 GLU 28 2HG GLU 28 7.902 -2.911 -5.971 230 HG3 GLU 28 3HG GLU 28 9.655 -3.081 -5.919 231 H GLN 29 HN GLN 29 10.631 -1.642 -3.981 232 HA GLN 29 HA GLN 29 12.952 -2.810 -5.135 233 HB2 GLN 29 2HB GLN 29 12.081 -0.527 -5.671 234 HB3 GLN 29 3HB GLN 29 12.609 0.001 -4.078 235 HG2 GLN 29 2HG GLN 29 14.926 -0.859 -4.811 236 HG3 GLN 29 3HG GLN 29 14.255 -0.800 -6.441 237 HE21 GLN 29 1HE2 GLN 29 15.926 0.779 -6.835 238 HE22 GLN 29 2HE2 GLN 29 15.666 2.427 -6.389 239 H TYR 30 HN TYR 30 12.410 -1.089 -2.052 240 HA TYR 30 HA TYR 30 14.975 -2.104 -1.090 241 HB2 TYR 30 2HB TYR 30 14.405 -0.598 0.921 242 HB3 TYR 30 3HB TYR 30 14.826 0.172 -0.604 243 HD1 TYR 30 1HD TYR 30 11.807 -1.004 1.261 244 HD2 TYR 30 2HD TYR 30 13.486 1.892 -1.361 245 HE1 TYR 30 1HE TYR 30 9.713 0.276 1.347 246 HE2 TYR 30 2HE TYR 30 11.394 3.183 -1.284 247 HH TYR 30 HH TYR 30 9.037 2.840 -0.800 248 H PHE 31 HN PHE 31 11.957 -3.297 -1.190 249 HA PHE 31 HA PHE 31 12.187 -4.566 1.461 250 HB2 PHE 31 2HB PHE 31 9.760 -3.894 -0.195 251 HB3 PHE 31 3HB PHE 31 9.696 -5.097 1.083 252 HD1 PHE 31 1HD PHE 31 11.857 -3.283 2.690 253 HD2 PHE 31 2HD PHE 31 7.979 -2.702 1.040 254 HE1 PHE 31 1HE PHE 31 11.429 -1.508 4.337 255 HE2 PHE 31 2HE PHE 31 7.545 -0.923 2.682 256 HZ PHE 31 HZ PHE 31 9.270 -0.325 4.333 257 H ASP 32 HN ASP 32 12.841 -6.603 1.395 258 HA ASP 32 HA ASP 32 12.400 -8.143 -1.070 259 HB2 ASP 32 2HB ASP 32 14.447 -8.456 1.132 260 HB3 ASP 32 3HB ASP 32 14.232 -9.620 -0.173 261 H ARG 33 HN ARG 33 11.836 -8.095 2.372 262 HA ARG 33 HA ARG 33 10.923 -10.813 2.520 263 HB2 ARG 33 2HB ARG 33 10.328 -8.631 4.512 264 HB3 ARG 33 3HB ARG 33 10.413 -10.364 4.797 265 HG2 ARG 33 2HG ARG 33 12.870 -10.181 4.147 266 HG3 ARG 33 3HG ARG 33 12.660 -8.439 4.323 267 HD2 ARG 33 2HD ARG 33 12.067 -8.666 6.620 268 HD3 ARG 33 3HD ARG 33 11.961 -10.420 6.479 269 HE ARG 33 HE ARG 33 14.303 -8.894 6.977 270 HH11 ARG 33 2HH1 ARG 33 13.165 -11.761 5.345 271 HH12 ARG 33 1HH1 ARG 33 14.695 -12.566 5.426 272 HH21 ARG 33 2HH2 ARG 33 16.316 -9.951 7.087 273 HH22 ARG 33 1HH2 ARG 33 16.485 -11.540 6.417 274 H ILE 34 HN ILE 34 9.510 -10.270 0.527 275 HA ILE 34 HA ILE 34 6.805 -9.730 1.529 276 HB ILE 34 HB ILE 34 7.780 -8.698 -1.133 277 HG12 ILE 34 2HG1 ILE 34 7.272 -7.095 1.381 278 HG13 ILE 34 3HG1 ILE 34 8.875 -7.560 0.820 279 HG21 ILE 34 1HG2 ILE 34 5.193 -8.788 0.271 280 HG22 ILE 34 2HG2 ILE 34 5.588 -7.259 -0.514 281 HG23 ILE 34 3HG2 ILE 34 5.550 -8.749 -1.455 282 HD11 ILE 34 3HD1 ILE 34 8.902 -6.003 -0.800 283 HD12 ILE 34 1HD1 ILE 34 7.179 -6.170 -1.143 284 HD13 ILE 34 2HD1 ILE 34 7.715 -5.218 0.242 285 H ASN 35 HN ASN 35 5.471 -11.345 1.048 286 HA ASN 35 HA ASN 35 6.050 -12.984 -1.330 287 HB2 ASN 35 2HB ASN 35 4.927 -14.863 0.096 288 HB3 ASN 35 3HB ASN 35 6.621 -14.466 0.361 289 HD21 ASN 35 1HD2 ASN 35 3.708 -14.992 1.825 290 HD22 ASN 35 2HD2 ASN 35 4.028 -14.259 3.355 291 H GLN 36 HN GLN 36 3.438 -12.504 1.064 292 HA GLN 36 HA GLN 36 1.574 -12.194 -1.192 293 HB2 GLN 36 2HB GLN 36 1.367 -14.449 -0.177 294 HB3 GLN 36 3HB GLN 36 0.997 -13.695 1.366 295 HG2 GLN 36 2HG GLN 36 -1.131 -13.386 0.819 296 HG3 GLN 36 3HG GLN 36 -0.713 -12.722 -0.759 297 HE21 GLN 36 1HE2 GLN 36 -1.932 -15.384 0.940 298 HE22 GLN 36 2HE2 GLN 36 -2.065 -16.480 -0.388 299 H VAL 37 HN VAL 37 0.700 -10.241 -1.146 300 HA VAL 37 HA VAL 37 0.107 -9.025 1.475 301 HB VAL 37 HB VAL 37 0.707 -7.403 -0.987 302 HG11 VAL 37 1HG1 VAL 37 0.142 -6.883 1.843 303 HG12 VAL 37 2HG1 VAL 37 1.493 -5.963 1.180 304 HG13 VAL 37 3HG1 VAL 37 -0.099 -5.859 0.428 305 HG21 VAL 37 3HG2 VAL 37 2.599 -8.810 0.785 306 HG22 VAL 37 1HG2 VAL 37 2.791 -8.267 -0.882 307 HG23 VAL 37 2HG2 VAL 37 2.968 -7.120 0.444 308 H TYR 38 HN TYR 38 -1.920 -8.240 1.763 309 HA TYR 38 HA TYR 38 -3.674 -8.091 -0.588 310 HB2 TYR 38 2HB TYR 38 -5.495 -8.897 1.148 311 HB3 TYR 38 3HB TYR 38 -4.516 -10.052 0.252 312 HD1 TYR 38 1HD TYR 38 -2.281 -10.771 1.459 313 HD2 TYR 38 2HD TYR 38 -5.674 -9.141 3.441 314 HE1 TYR 38 1HE TYR 38 -1.526 -11.783 3.567 315 HE2 TYR 38 2HE TYR 38 -4.928 -10.147 5.558 316 HH TYR 38 HH TYR 38 -2.161 -10.990 6.319 317 H VAL 39 HN VAL 39 -4.751 -6.273 -0.770 318 HA VAL 39 HA VAL 39 -5.049 -4.551 1.607 319 HB VAL 39 HB VAL 39 -4.716 -3.519 -1.208 320 HG11 VAL 39 1HG1 VAL 39 -4.110 -2.017 1.302 321 HG12 VAL 39 2HG1 VAL 39 -4.573 -1.408 -0.288 322 HG13 VAL 39 3HG1 VAL 39 -5.777 -2.172 0.748 323 HG21 VAL 39 3HG2 VAL 39 -2.680 -4.401 0.742 324 HG22 VAL 39 1HG2 VAL 39 -2.607 -4.317 -1.018 325 HG23 VAL 39 2HG2 VAL 39 -2.385 -2.857 -0.054 326 H VAL 40 HN VAL 40 -6.961 -3.373 1.806 327 HA VAL 40 HA VAL 40 -9.024 -3.717 -0.228 328 HB VAL 40 HB VAL 40 -9.555 -4.420 2.665 329 HG11 VAL 40 1HG1 VAL 40 -11.311 -3.552 0.780 330 HG12 VAL 40 2HG1 VAL 40 -11.398 -5.299 0.556 331 HG13 VAL 40 3HG1 VAL 40 -11.732 -4.595 2.138 332 HG21 VAL 40 3HG2 VAL 40 -9.677 -6.734 1.986 333 HG22 VAL 40 1HG2 VAL 40 -9.320 -6.299 0.315 334 HG23 VAL 40 2HG2 VAL 40 -8.093 -6.084 1.563 335 H LEU 41 HN LEU 41 -10.301 -2.017 -0.432 336 HA LEU 41 HA LEU 41 -10.257 0.034 1.664 337 HB2 LEU 41 2HB LEU 41 -10.371 1.638 -0.414 338 HB3 LEU 41 3HB LEU 41 -8.840 1.070 0.219 339 HG LEU 41 HG LEU 41 -8.923 1.008 -2.238 340 HD11 LEU 41 1HD1 LEU 41 -7.950 -0.922 -0.551 341 HD12 LEU 41 2HD1 LEU 41 -8.832 -1.847 -1.766 342 HD13 LEU 41 3HD1 LEU 41 -7.557 -0.735 -2.261 343 HD21 LEU 41 3HD2 LEU 41 -10.891 -1.237 -2.073 344 HD22 LEU 41 1HD2 LEU 41 -11.430 0.435 -2.225 345 HD23 LEU 41 2HD2 LEU 41 -10.406 -0.280 -3.471 346 H LYS 42 HN LYS 42 -12.171 0.867 2.189 347 HA LYS 42 HA LYS 42 -14.487 0.113 0.541 348 HB2 LYS 42 2HB LYS 42 -14.735 -0.805 2.712 349 HB3 LYS 42 3HB LYS 42 -14.205 0.682 3.486 350 HG2 LYS 42 2HG LYS 42 -16.262 1.791 2.774 351 HG3 LYS 42 3HG LYS 42 -16.789 0.304 1.983 352 HD2 LYS 42 2HD LYS 42 -17.874 0.465 4.121 353 HD3 LYS 42 3HD LYS 42 -16.685 -0.838 4.191 354 HE2 LYS 42 2HE LYS 42 -15.271 1.411 4.981 355 HE3 LYS 42 3HE LYS 42 -16.853 1.616 5.732 356 HZ1 LYS 42 3HZ LYS 42 -16.634 -0.366 6.906 357 HZ2 LYS 42 1HZ LYS 42 -15.094 0.329 7.015 358 HZ3 LYS 42 2HZ LYS 42 -15.379 -0.936 5.927 359 H VAL 43 HN VAL 43 -15.838 1.618 -0.264 360 HA VAL 43 HA VAL 43 -15.204 4.438 0.322 361 HB VAL 43 HB VAL 43 -16.345 3.375 -2.263 362 HG11 VAL 43 1HG1 VAL 43 -16.414 5.913 -1.251 363 HG12 VAL 43 2HG1 VAL 43 -14.951 5.946 -2.235 364 HG13 VAL 43 3HG1 VAL 43 -16.493 5.497 -2.963 365 HG21 VAL 43 3HG2 VAL 43 -14.177 2.487 -2.212 366 HG22 VAL 43 1HG2 VAL 43 -14.022 3.980 -3.139 367 HG23 VAL 43 2HG2 VAL 43 -13.508 3.932 -1.453 368 H GLU 44 HN GLU 44 -16.762 5.434 1.405 369 HA GLU 44 HA GLU 44 -19.553 4.851 0.730 370 HB2 GLU 44 2HB GLU 44 -20.034 5.138 3.245 371 HB3 GLU 44 3HB GLU 44 -19.384 3.599 2.695 372 HG2 GLU 44 2HG GLU 44 -17.158 4.270 3.416 373 HG3 GLU 44 3HG GLU 44 -17.795 5.826 3.946 374 H LYS 45 HN LYS 45 -21.016 6.563 1.167 375 HA LYS 45 HA LYS 45 -20.164 9.085 0.468 376 HB2 LYS 45 2HB LYS 45 -22.513 8.255 0.404 377 HB3 LYS 45 3HB LYS 45 -22.596 8.465 2.148 378 HG2 LYS 45 2HG LYS 45 -21.732 10.921 1.312 379 HG3 LYS 45 3HG LYS 45 -22.814 10.433 0.006 380 HD2 LYS 45 2HD LYS 45 -23.745 10.021 2.794 381 HD3 LYS 45 3HD LYS 45 -23.692 11.676 2.185 382 HE2 LYS 45 2HE LYS 45 -25.045 9.419 0.725 383 HE3 LYS 45 3HE LYS 45 -25.880 10.466 1.871 384 HZ1 LYS 45 3HZ LYS 45 -24.364 11.742 -0.277 385 HZ2 LYS 45 1HZ LYS 45 -25.807 12.226 0.462 386 HZ3 LYS 45 2HZ LYS 45 -25.819 10.989 -0.692 387 H VAL 46 HN VAL 46 -19.961 7.596 3.580 388 HA VAL 46 HA VAL 46 -19.751 10.114 4.990 389 HB VAL 46 HB VAL 46 -19.311 7.307 6.005 390 HG11 VAL 46 1HG1 VAL 46 -18.709 8.168 7.965 391 HG12 VAL 46 2HG1 VAL 46 -18.601 9.739 7.174 392 HG13 VAL 46 3HG1 VAL 46 -20.095 9.256 7.977 393 HG21 VAL 46 3HG2 VAL 46 -21.693 8.868 6.779 394 HG22 VAL 46 1HG2 VAL 46 -21.654 8.261 5.124 395 HG23 VAL 46 2HG2 VAL 46 -21.515 7.139 6.478 396 H THR 47 HN THR 47 -17.551 7.377 5.466 397 HA THR 47 HA THR 47 -15.300 9.149 4.791 398 HB THR 47 HB THR 47 -15.270 7.213 7.103 399 HG1 THR 47 1HG THR 47 -16.242 8.657 8.244 400 HG21 THR 47 3HG2 THR 47 -13.511 9.147 7.722 401 HG22 THR 47 1HG2 THR 47 -13.339 9.108 5.967 402 HG23 THR 47 2HG2 THR 47 -13.081 7.641 6.912 403 H HIS 48 HN HIS 48 -13.344 8.094 4.154 404 HA HIS 48 HA HIS 48 -13.848 5.494 2.894 405 HB2 HIS 48 2HB HIS 48 -11.674 7.543 2.411 406 HB3 HIS 48 3HB HIS 48 -11.811 6.010 1.558 407 HD1 HIS 48 1HD HIS 48 -12.524 6.609 -0.738 408 HD2 HIS 48 2HD HIS 48 -14.650 8.709 2.148 409 HE1 HIS 48 1HE HIS 48 -14.264 7.914 -2.001 410 HE2 HIS 48 2HE HIS 48 -15.599 9.100 -0.226 411 H THR 49 HN THR 49 -12.706 3.685 3.412 412 HA THR 49 HA THR 49 -10.534 3.977 5.379 413 HB THR 49 HB THR 49 -12.710 1.876 5.430 414 HG1 THR 49 1HG THR 49 -13.554 2.988 7.080 415 HG21 THR 49 3HG2 THR 49 -10.129 1.862 6.611 416 HG22 THR 49 1HG2 THR 49 -11.435 0.689 6.782 417 HG23 THR 49 2HG2 THR 49 -11.331 2.062 7.885 418 H SER 50 HN SER 50 -8.796 2.684 5.135 419 HA SER 50 HA SER 50 -8.876 0.612 3.048 420 HB2 SER 50 2HB SER 50 -6.777 1.352 2.114 421 HB3 SER 50 3HB SER 50 -7.876 2.731 2.150 422 HG SER 50 HG SER 50 -5.560 2.886 3.009 423 H ASP 51 HN ASP 51 -7.468 -1.139 3.349 424 HA ASP 51 HA ASP 51 -6.016 -1.196 5.906 425 HB2 ASP 51 2HB ASP 51 -6.726 -3.624 6.080 426 HB3 ASP 51 3HB ASP 51 -8.004 -2.442 6.335 427 H ALA 52 HN ALA 52 -4.142 -2.487 5.950 428 HA ALA 52 HA ALA 52 -3.314 -3.714 3.423 429 HB1 ALA 52 1HB ALA 52 -1.086 -2.616 3.605 430 HB2 ALA 52 2HB ALA 52 -2.410 -1.504 3.256 431 HB3 ALA 52 3HB ALA 52 -1.746 -1.599 4.886 432 H THR 53 HN THR 53 -2.821 -5.732 3.907 433 HA THR 53 HA THR 53 -1.515 -6.311 6.482 434 HB THR 53 HB THR 53 -2.634 -8.533 4.876 435 HG1 THR 53 1HG THR 53 -4.421 -7.418 4.622 436 HG21 THR 53 3HG2 THR 53 -1.742 -9.008 7.062 437 HG22 THR 53 1HG2 THR 53 -3.488 -9.262 7.055 438 HG23 THR 53 2HG2 THR 53 -2.812 -7.807 7.789 439 H LEU 54 HN LEU 54 0.634 -6.384 6.205 440 HA LEU 54 HA LEU 54 1.710 -7.562 3.748 441 HB2 LEU 54 2HB LEU 54 2.892 -5.779 5.859 442 HB3 LEU 54 3HB LEU 54 3.894 -6.604 4.680 443 HG LEU 54 HG LEU 54 2.596 -5.462 2.870 444 HD11 LEU 54 1HD1 LEU 54 1.254 -4.286 5.256 445 HD12 LEU 54 2HD1 LEU 54 1.461 -3.299 3.809 446 HD13 LEU 54 3HD1 LEU 54 0.567 -4.816 3.721 447 HD21 LEU 54 3HD2 LEU 54 3.555 -3.127 3.511 448 HD22 LEU 54 1HD2 LEU 54 4.244 -3.995 4.883 449 HD23 LEU 54 2HD2 LEU 54 4.651 -4.482 3.237 450 H HIS 55 HN HIS 55 3.213 -9.206 3.758 451 HA HIS 55 HA HIS 55 3.296 -10.798 6.233 452 HB2 HIS 55 2HB HIS 55 3.282 -11.522 3.330 453 HB3 HIS 55 3HB HIS 55 4.070 -12.605 4.472 454 HD1 HIS 55 1HD HIS 55 2.583 -14.345 5.387 455 HD2 HIS 55 2HD HIS 55 0.468 -10.950 4.264 456 HE1 HIS 55 1HE HIS 55 0.165 -14.891 5.806 457 HE2 HIS 55 2HE HIS 55 -1.084 -12.781 5.227 458 H VAL 56 HN VAL 56 5.198 -11.321 7.166 459 HA VAL 56 HA VAL 56 7.686 -10.855 5.696 460 HB VAL 56 HB VAL 56 8.643 -9.761 7.781 461 HG11 VAL 56 1HG1 VAL 56 8.401 -8.377 5.919 462 HG12 VAL 56 2HG1 VAL 56 6.639 -8.441 5.984 463 HG13 VAL 56 3HG1 VAL 56 7.532 -7.521 7.193 464 HG21 VAL 56 3HG2 VAL 56 6.292 -10.428 8.938 465 HG22 VAL 56 1HG2 VAL 56 7.350 -9.141 9.520 466 HG23 VAL 56 2HG2 VAL 56 5.971 -8.753 8.491 467 H ASN 57 HN ASN 57 8.837 -12.652 5.835 468 HA ASN 57 HA ASN 57 9.491 -14.740 6.514 469 HB2 ASN 57 2HB ASN 57 10.082 -12.928 8.842 470 HB3 ASN 57 3HB ASN 57 10.576 -14.618 8.845 471 HD21 ASN 57 1HD2 ASN 57 11.447 -15.119 6.405 472 HD22 ASN 57 2HD2 ASN 57 12.761 -14.087 5.970 473 H GLY 58 HN GLY 58 8.661 -14.050 9.843 474 HA2 GLY 58 2HA GLY 58 6.482 -16.039 9.646 475 HA3 GLY 58 3HA GLY 58 7.631 -16.019 10.976 476 H GLY 59 HN GLY 59 6.262 -13.122 9.562 477 HA2 GLY 59 2HA GLY 59 4.479 -12.827 11.882 478 HA3 GLY 59 3HA GLY 59 5.641 -11.558 11.521 479 H GLU 60 HN GLU 60 2.788 -11.277 11.613 480 HA GLU 60 HA GLU 60 2.357 -10.382 8.850 481 HB2 GLU 60 2HB GLU 60 0.318 -11.806 10.569 482 HB3 GLU 60 3HB GLU 60 -0.016 -11.064 9.011 483 HG2 GLU 60 2HG GLU 60 1.249 -12.652 7.852 484 HG3 GLU 60 3HG GLU 60 2.057 -13.203 9.319 485 H ILE 61 HN ILE 61 2.082 -8.267 8.844 486 HA ILE 61 HA ILE 61 0.993 -6.952 11.236 487 HB ILE 61 HB ILE 61 2.390 -5.653 8.892 488 HG12 ILE 61 2HG1 ILE 61 3.749 -5.894 11.517 489 HG13 ILE 61 3HG1 ILE 61 3.625 -7.372 10.568 490 HG21 ILE 61 1HG2 ILE 61 1.515 -4.679 11.596 491 HG22 ILE 61 2HG2 ILE 61 2.725 -3.833 10.634 492 HG23 ILE 61 3HG2 ILE 61 1.090 -4.041 10.008 493 HD11 ILE 61 3HD1 ILE 61 4.824 -6.401 8.763 494 HD12 ILE 61 1HD1 ILE 61 4.754 -4.800 9.500 495 HD13 ILE 61 2HD1 ILE 61 5.727 -6.071 10.241 496 H HIS 62 HN HIS 62 -0.858 -5.728 11.151 497 HA HIS 62 HA HIS 62 -2.148 -5.402 8.536 498 HB2 HIS 62 2HB HIS 62 -3.011 -7.377 10.030 499 HB3 HIS 62 3HB HIS 62 -3.807 -6.093 10.933 500 HD1 HIS 62 1HD HIS 62 -5.624 -8.054 9.623 501 HD2 HIS 62 2HD HIS 62 -4.203 -4.690 7.640 502 HE1 HIS 62 1HE HIS 62 -7.260 -7.628 7.763 503 HE2 HIS 62 2HE HIS 62 -6.335 -5.639 6.525 504 H ALA 63 HN ALA 63 -2.325 -3.279 8.237 505 HA ALA 63 HA ALA 63 -3.222 -1.628 10.510 506 HB1 ALA 63 1HB ALA 63 -1.164 -0.713 10.335 507 HB2 ALA 63 2HB ALA 63 -0.950 -1.249 8.668 508 HB3 ALA 63 3HB ALA 63 -1.914 0.185 9.015 509 H SER 64 HN SER 64 -4.514 0.239 9.948 510 HA SER 64 HA SER 64 -5.615 0.261 7.243 511 HB2 SER 64 2HB SER 64 -7.914 0.273 8.056 512 HB3 SER 64 3HB SER 64 -7.099 -1.187 8.620 513 HG SER 64 HG SER 64 -8.161 -0.335 10.360 514 H ALA 65 HN ALA 65 -5.651 2.296 6.511 515 HA ALA 65 HA ALA 65 -5.790 4.469 8.498 516 HB1 ALA 65 1HB ALA 65 -3.576 4.025 7.203 517 HB2 ALA 65 2HB ALA 65 -4.406 4.844 5.881 518 HB3 ALA 65 3HB ALA 65 -4.156 5.677 7.416 519 H GLU 66 HN GLU 66 -6.802 6.407 7.877 520 HA GLU 66 HA GLU 66 -8.542 6.249 5.511 521 HB2 GLU 66 2HB GLU 66 -10.279 7.459 6.951 522 HB3 GLU 66 3HB GLU 66 -10.044 5.743 7.256 523 HG2 GLU 66 2HG GLU 66 -8.745 6.202 9.210 524 HG3 GLU 66 3HG GLU 66 -8.742 7.930 8.858 525 H GLY 67 HN GLY 67 -9.258 8.369 4.725 526 HA2 GLY 67 2HA GLY 67 -7.752 10.652 5.769 527 HA3 GLY 67 3HA GLY 67 -7.450 10.179 4.109 528 H GLN 68 HN GLN 68 -9.537 9.941 2.780 529 HA GLN 68 HA GLN 68 -11.853 11.378 3.446 530 HB2 GLN 68 2HB GLN 68 -10.320 13.309 3.438 531 HB3 GLN 68 3HB GLN 68 -9.881 12.945 1.775 532 HG2 GLN 68 2HG GLN 68 -12.632 13.102 1.693 533 HG3 GLN 68 3HG GLN 68 -12.174 14.372 2.828 534 HE21 GLN 68 1HE2 GLN 68 -10.004 15.480 1.944 535 HE22 GLN 68 2HE2 GLN 68 -10.162 16.076 0.331 536 H ASP 69 HN ASP 69 -9.725 10.019 1.054 537 HA ASP 69 HA ASP 69 -12.029 9.231 -0.521 538 HB2 ASP 69 2HB ASP 69 -11.037 9.960 -2.638 539 HB3 ASP 69 3HB ASP 69 -11.302 11.337 -1.574 540 H MET 70 HN MET 70 -11.118 7.784 -2.437 541 HA MET 70 HA MET 70 -9.983 5.529 -1.306 542 HB2 MET 70 2HB MET 70 -11.217 5.707 -3.512 543 HB3 MET 70 3HB MET 70 -9.704 6.262 -4.216 544 HG2 MET 70 2HG MET 70 -9.832 3.967 -4.681 545 HG3 MET 70 3HG MET 70 -8.662 4.132 -3.375 546 HE1 MET 70 3HE MET 70 -11.103 1.393 -4.284 547 HE2 MET 70 1HE MET 70 -12.579 1.936 -3.486 548 HE3 MET 70 2HE MET 70 -11.820 2.945 -4.716 549 H TYR 71 HN TYR 71 -8.350 7.867 -3.454 550 HA TYR 71 HA TYR 71 -5.792 6.764 -3.245 551 HB2 TYR 71 2HB TYR 71 -6.581 9.643 -3.732 552 HB3 TYR 71 3HB TYR 71 -4.983 8.967 -4.029 553 HD1 TYR 71 1HD TYR 71 -5.288 6.575 -5.445 554 HD2 TYR 71 2HD TYR 71 -7.750 10.039 -5.673 555 HE1 TYR 71 1HE TYR 71 -5.980 5.928 -7.714 556 HE2 TYR 71 2HE TYR 71 -8.450 9.400 -7.941 557 HH TYR 71 HH TYR 71 -7.776 6.314 -9.274 558 H ALA 72 HN ALA 72 -7.441 9.141 -1.229 559 HA ALA 72 HA ALA 72 -5.249 9.973 0.304 560 HB1 ALA 72 1HB ALA 72 -7.968 10.524 0.235 561 HB2 ALA 72 2HB ALA 72 -7.693 9.874 1.851 562 HB3 ALA 72 3HB ALA 72 -6.766 11.266 1.290 563 H ALA 73 HN ALA 73 -7.679 7.466 1.031 564 HA ALA 73 HA ALA 73 -6.641 6.611 3.460 565 HB1 ALA 73 1HB ALA 73 -8.837 5.966 2.290 566 HB2 ALA 73 2HB ALA 73 -7.887 4.693 1.521 567 HB3 ALA 73 3HB ALA 73 -8.029 4.749 3.280 568 H ILE 74 HN ILE 74 -5.622 5.863 0.199 569 HA ILE 74 HA ILE 74 -3.899 3.695 0.979 570 HB ILE 74 HB ILE 74 -3.971 5.238 -1.617 571 HG12 ILE 74 2HG1 ILE 74 -6.103 4.085 -1.029 572 HG13 ILE 74 3HG1 ILE 74 -5.338 3.437 -2.478 573 HG21 ILE 74 1HG2 ILE 74 -3.024 2.800 -2.262 574 HG22 ILE 74 2HG2 ILE 74 -1.997 4.185 -1.889 575 HG23 ILE 74 3HG2 ILE 74 -2.345 2.983 -0.645 576 HD11 ILE 74 3HD1 ILE 74 -4.961 2.186 0.221 577 HD12 ILE 74 1HD1 ILE 74 -6.311 1.774 -0.836 578 HD13 ILE 74 2HD1 ILE 74 -4.656 1.489 -1.369 579 H ASP 75 HN ASP 75 -3.630 7.134 0.752 580 HA ASP 75 HA ASP 75 -0.780 7.235 0.524 581 HB2 ASP 75 2HB ASP 75 -2.904 9.089 0.417 582 HB3 ASP 75 3HB ASP 75 -1.875 9.603 1.750 583 H GLY 76 HN GLY 76 -3.043 7.798 3.222 584 HA2 GLY 76 2HA GLY 76 -1.007 8.117 5.176 585 HA3 GLY 76 3HA GLY 76 -2.706 7.797 5.498 586 H LEU 77 HN LEU 77 -2.853 5.339 4.047 587 HA LEU 77 HA LEU 77 -1.998 3.545 6.069 588 HB2 LEU 77 2HB LEU 77 -3.917 2.865 4.957 589 HB3 LEU 77 3HB LEU 77 -3.276 3.281 3.381 590 HG LEU 77 HG LEU 77 -2.048 1.016 4.899 591 HD11 LEU 77 1HD1 LEU 77 -4.747 1.052 4.513 592 HD12 LEU 77 2HD1 LEU 77 -4.176 0.259 3.046 593 HD13 LEU 77 3HD1 LEU 77 -3.754 -0.401 4.625 594 HD21 LEU 77 3HD2 LEU 77 -2.199 1.992 2.104 595 HD22 LEU 77 1HD2 LEU 77 -0.842 1.295 2.991 596 HD23 LEU 77 2HD2 LEU 77 -2.112 0.249 2.356 597 H ILE 78 HN ILE 78 -0.818 4.306 2.833 598 HA ILE 78 HA ILE 78 1.272 2.343 2.894 599 HB ILE 78 HB ILE 78 0.661 4.642 1.047 600 HG12 ILE 78 2HG1 ILE 78 -0.802 2.692 0.884 601 HG13 ILE 78 3HG1 ILE 78 0.198 2.836 -0.558 602 HG21 ILE 78 1HG2 ILE 78 2.445 3.826 -0.429 603 HG22 ILE 78 2HG2 ILE 78 3.081 4.417 1.104 604 HG23 ILE 78 3HG2 ILE 78 2.943 2.683 0.819 605 HD11 ILE 78 3HD1 ILE 78 0.893 0.763 -0.271 606 HD12 ILE 78 1HD1 ILE 78 1.574 1.198 1.295 607 HD13 ILE 78 2HD1 ILE 78 -0.092 0.628 1.185 608 H ASP 79 HN ASP 79 0.897 5.453 4.226 609 HA ASP 79 HA ASP 79 3.676 6.206 4.149 610 HB2 ASP 79 2HB ASP 79 1.163 7.355 5.228 611 HB3 ASP 79 3HB ASP 79 2.649 7.810 6.058 612 H LYS 80 HN LYS 80 1.424 5.191 6.715 613 HA LYS 80 HA LYS 80 3.498 4.928 8.665 614 HB2 LYS 80 2HB LYS 80 1.653 3.718 9.963 615 HB3 LYS 80 3HB LYS 80 1.378 5.405 9.557 616 HG2 LYS 80 2HG LYS 80 -0.358 4.938 8.208 617 HG3 LYS 80 3HG LYS 80 0.382 3.462 7.590 618 HD2 LYS 80 2HD LYS 80 -1.012 2.305 8.884 619 HD3 LYS 80 3HD LYS 80 -0.161 2.950 10.289 620 HE2 LYS 80 2HE LYS 80 -2.546 4.190 8.921 621 HE3 LYS 80 3HE LYS 80 -2.554 3.349 10.471 622 HZ1 LYS 80 3HZ LYS 80 -1.515 6.009 9.804 623 HZ2 LYS 80 1HZ LYS 80 -0.764 5.141 11.047 624 HZ3 LYS 80 2HZ LYS 80 -2.411 5.511 11.147 625 H LEU 81 HN LEU 81 2.107 2.844 6.267 626 HA LEU 81 HA LEU 81 2.888 0.370 7.431 627 HB2 LEU 81 2HB LEU 81 1.976 1.260 4.731 628 HB3 LEU 81 3HB LEU 81 2.721 -0.317 4.888 629 HG LEU 81 HG LEU 81 0.091 0.044 5.064 630 HD11 LEU 81 1HD1 LEU 81 0.026 -2.129 5.645 631 HD12 LEU 81 2HD1 LEU 81 1.772 -2.020 5.418 632 HD13 LEU 81 3HD1 LEU 81 1.086 -1.904 7.038 633 HD21 LEU 81 3HD2 LEU 81 0.538 1.537 7.126 634 HD22 LEU 81 1HD2 LEU 81 -0.752 0.339 7.208 635 HD23 LEU 81 2HD2 LEU 81 0.803 0.014 7.973 636 H ALA 82 HN ALA 82 4.309 2.382 4.849 637 HA ALA 82 HA ALA 82 6.557 0.764 4.393 638 HB1 ALA 82 1HB ALA 82 7.522 3.166 3.715 639 HB2 ALA 82 2HB ALA 82 6.382 2.270 2.710 640 HB3 ALA 82 3HB ALA 82 5.803 3.555 3.771 641 H ARG 83 HN ARG 83 6.251 3.702 6.390 642 HA ARG 83 HA ARG 83 8.831 3.785 7.395 643 HB2 ARG 83 2HB ARG 83 6.242 4.595 8.726 644 HB3 ARG 83 3HB ARG 83 7.838 5.023 9.326 645 HG2 ARG 83 2HG ARG 83 6.637 5.842 6.690 646 HG3 ARG 83 3HG ARG 83 6.892 6.869 8.102 647 HD2 ARG 83 2HD ARG 83 8.825 7.419 7.114 648 HD3 ARG 83 3HD ARG 83 9.389 5.850 7.689 649 HE ARG 83 HE ARG 83 9.544 5.217 5.513 650 HH11 ARG 83 2HH1 ARG 83 7.134 7.731 5.727 651 HH12 ARG 83 1HH1 ARG 83 6.839 7.767 4.021 652 HH21 ARG 83 2HH2 ARG 83 9.159 5.264 3.269 653 HH22 ARG 83 1HH2 ARG 83 7.988 6.366 2.625 654 H GLN 84 HN GLN 84 6.106 1.815 8.428 655 HA GLN 84 HA GLN 84 7.393 0.881 10.818 656 HB2 GLN 84 2HB GLN 84 4.931 0.011 9.312 657 HB3 GLN 84 3HB GLN 84 5.507 -0.843 10.736 658 HG2 GLN 84 2HG GLN 84 5.218 2.061 11.053 659 HG3 GLN 84 3HG GLN 84 3.719 1.175 10.781 660 HE21 GLN 84 1HE2 GLN 84 3.842 2.375 13.097 661 HE22 GLN 84 2HE2 GLN 84 4.173 1.279 14.391 662 H LEU 85 HN LEU 85 6.761 -0.453 7.603 663 HA LEU 85 HA LEU 85 7.856 -2.986 7.968 664 HB2 LEU 85 2HB LEU 85 7.437 -1.219 5.602 665 HB3 LEU 85 3HB LEU 85 8.421 -2.656 5.405 666 HG LEU 85 HG LEU 85 5.808 -2.653 4.936 667 HD11 LEU 85 1HD1 LEU 85 7.709 -4.709 5.834 668 HD12 LEU 85 2HD1 LEU 85 6.005 -5.160 5.898 669 HD13 LEU 85 3HD1 LEU 85 6.721 -4.628 4.376 670 HD21 LEU 85 3HD2 LEU 85 5.476 -2.010 7.425 671 HD22 LEU 85 1HD2 LEU 85 4.440 -3.243 6.709 672 HD23 LEU 85 2HD2 LEU 85 5.796 -3.716 7.733 673 H THR 86 HN THR 86 9.421 0.031 6.960 674 HA THR 86 HA THR 86 11.990 -1.099 6.563 675 HB THR 86 HB THR 86 12.569 1.482 7.090 676 HG1 THR 86 1HG THR 86 10.768 2.721 6.399 677 HG21 THR 86 3HG2 THR 86 11.125 0.884 4.544 678 HG22 THR 86 1HG2 THR 86 12.699 0.169 4.888 679 HG23 THR 86 2HG2 THR 86 12.524 1.922 4.819 680 H LYS 87 HN LYS 87 10.375 0.339 9.343 681 HA LYS 87 HA LYS 87 12.498 0.697 11.071 682 HB2 LYS 87 2HB LYS 87 9.653 0.541 11.272 683 HB3 LYS 87 3HB LYS 87 10.350 -0.400 12.583 684 HG2 LYS 87 2HG LYS 87 11.233 1.418 13.609 685 HG3 LYS 87 3HG LYS 87 11.495 2.285 12.094 686 HD2 LYS 87 2HD LYS 87 9.428 3.212 12.114 687 HD3 LYS 87 3HD LYS 87 8.680 1.784 12.835 688 HE2 LYS 87 2HE LYS 87 8.956 2.547 14.935 689 HE3 LYS 87 3HE LYS 87 10.548 3.221 14.588 690 HZ1 LYS 87 3HZ LYS 87 9.441 5.150 14.823 691 HZ2 LYS 87 1HZ LYS 87 7.933 4.478 14.456 692 HZ3 LYS 87 2HZ LYS 87 9.003 4.886 13.211 693 H HIS 88 HN HIS 88 10.416 -2.199 10.992 694 HA HIS 88 HA HIS 88 12.093 -3.745 12.640 695 HB2 HIS 88 2HB HIS 88 10.678 -5.571 12.160 696 HB3 HIS 88 3HB HIS 88 9.636 -4.157 12.060 697 HD1 HIS 88 1HD HIS 88 8.153 -4.164 10.089 698 HD2 HIS 88 2HD HIS 88 11.646 -6.302 9.389 699 HE1 HIS 88 1HE HIS 88 7.908 -5.113 7.773 700 HE2 HIS 88 2HE HIS 88 10.000 -6.465 7.402 701 H LYS 89 HN LYS 89 12.119 -3.124 9.214 702 HA LYS 89 HA LYS 89 13.784 -5.293 8.454 703 HB2 LYS 89 2HB LYS 89 12.360 -3.381 7.105 704 HB3 LYS 89 3HB LYS 89 14.013 -2.851 6.838 705 HG2 LYS 89 2HG LYS 89 14.567 -4.730 5.636 706 HG3 LYS 89 3HG LYS 89 13.304 -5.710 6.384 707 HD2 LYS 89 2HD LYS 89 11.629 -4.254 5.184 708 HD3 LYS 89 3HD LYS 89 12.988 -3.570 4.290 709 HE2 LYS 89 2HE LYS 89 13.171 -5.372 2.974 710 HE3 LYS 89 3HE LYS 89 12.971 -6.488 4.323 711 HZ1 LYS 89 3HZ LYS 89 11.166 -6.118 2.374 712 HZ2 LYS 89 1HZ LYS 89 10.567 -5.075 3.566 713 HZ3 LYS 89 2HZ LYS 89 10.797 -6.715 3.911 714 H ASP 90 HN ASP 90 14.422 -2.381 10.125 715 HA ASP 90 HA ASP 90 17.188 -2.182 9.310 716 HB2 ASP 90 2HB ASP 90 15.341 -0.639 11.039 717 HB3 ASP 90 3HB ASP 90 17.043 -0.590 11.492 718 H LYS 91 HN LYS 91 15.343 -3.648 11.871 719 HA LYS 91 HA LYS 91 17.448 -4.026 13.722 720 HB2 LYS 91 2HB LYS 91 14.784 -5.356 13.300 721 HB3 LYS 91 3HB LYS 91 15.904 -5.940 14.524 722 HG2 LYS 91 2HG LYS 91 14.903 -4.488 15.883 723 HG3 LYS 91 3HG LYS 91 15.837 -3.254 15.035 724 HD2 LYS 91 2HD LYS 91 13.951 -3.015 13.431 725 HD3 LYS 91 3HD LYS 91 13.018 -4.134 14.428 726 HE2 LYS 91 2HE LYS 91 13.477 -2.531 16.356 727 HE3 LYS 91 3HE LYS 91 14.008 -1.384 15.127 728 HZ1 LYS 91 3HZ LYS 91 11.818 -0.832 15.311 729 HZ2 LYS 91 1HZ LYS 91 11.318 -2.406 15.678 730 HZ3 LYS 91 2HZ LYS 91 11.705 -1.991 14.086 731 H LEU 92 HN LEU 92 16.049 -6.164 11.248 732 HA LEU 92 HA LEU 92 17.951 -8.249 11.731 733 HB2 LEU 92 2HB LEU 92 16.285 -7.949 9.247 734 HB3 LEU 92 3HB LEU 92 16.900 -9.423 9.971 735 HG LEU 92 HG LEU 92 15.291 -8.366 11.960 736 HD11 LEU 92 1HD1 LEU 92 13.446 -7.377 11.123 737 HD12 LEU 92 2HD1 LEU 92 14.545 -6.912 9.824 738 HD13 LEU 92 3HD1 LEU 92 13.489 -8.313 9.629 739 HD21 LEU 92 3HD2 LEU 92 14.049 -10.248 10.048 740 HD22 LEU 92 1HD2 LEU 92 15.596 -10.730 10.745 741 HD23 LEU 92 2HD2 LEU 92 14.231 -10.360 11.799 742 H LYS 93 HN LYS 93 19.703 -6.454 11.524 743 HA LYS 93 HA LYS 93 20.688 -6.486 8.748 744 HB2 LYS 93 2HB LYS 93 20.733 -4.304 10.805 745 HB3 LYS 93 3HB LYS 93 21.978 -4.367 9.566 746 HG2 LYS 93 2HG LYS 93 19.276 -4.640 8.504 747 HG3 LYS 93 3HG LYS 93 19.558 -3.112 9.342 748 HD2 LYS 93 2HD LYS 93 21.142 -2.421 7.835 749 HD3 LYS 93 3HD LYS 93 21.617 -4.069 7.417 750 HE2 LYS 93 2HE LYS 93 18.952 -2.891 6.665 751 HE3 LYS 93 3HE LYS 93 20.377 -2.773 5.632 752 HZ1 LYS 93 3HZ LYS 93 18.900 -5.202 6.442 753 HZ2 LYS 93 1HZ LYS 93 20.477 -5.285 5.834 754 HZ3 LYS 93 2HZ LYS 93 19.235 -4.647 4.881 755 H GLN 94 HN GLN 94 22.776 -7.097 8.409 756 HA GLN 94 HA GLN 94 24.055 -8.674 10.361 757 HB2 GLN 94 2HB GLN 94 25.987 -8.647 8.736 758 HB3 GLN 94 3HB GLN 94 24.452 -9.192 8.075 759 HG2 GLN 94 2HG GLN 94 24.536 -6.421 7.657 760 HG3 GLN 94 3HG GLN 94 26.133 -7.034 7.232 761 HE21 GLN 94 1HE2 GLN 94 22.824 -6.862 6.369 762 HE22 GLN 94 2HE2 GLN 94 22.934 -7.730 4.878 763 H HIS 95 HN HIS 95 24.783 -7.785 12.196 764 HA HIS 95 HA HIS 95 26.824 -5.702 11.977 765 HB2 HIS 95 2HB HIS 95 24.199 -5.419 13.275 766 HB3 HIS 95 3HB HIS 95 25.560 -4.940 14.283 767 HD1 HIS 95 1HD HIS 95 23.275 -3.549 11.970 768 HD2 HIS 95 2HD HIS 95 27.345 -3.076 12.659 769 HE1 HIS 95 1HE HIS 95 23.885 -1.351 10.912 770 HE2 HIS 95 2HE HIS 95 26.369 -1.128 11.265 Start of MODEL 17 1 H1 MET 1 1H MET 1 3.880 -16.064 -1.442 2 H2 MET 1 2H MET 1 2.272 -15.778 -1.966 3 H3 MET 1 3H MET 1 3.089 -14.605 -1.018 4 HA MET 1 HA MET 1 4.486 -14.009 -2.704 5 HB2 MET 1 2HB MET 1 4.322 -16.725 -3.330 6 HB3 MET 1 3HB MET 1 3.666 -15.914 -4.746 7 HG2 MET 1 2HG MET 1 5.872 -14.423 -4.292 8 HG3 MET 1 3HG MET 1 6.411 -15.996 -3.710 9 HE1 MET 1 2HE MET 1 4.963 -15.106 -7.995 10 HE2 MET 1 3HE MET 1 4.006 -14.811 -6.543 11 HE3 MET 1 1HE MET 1 5.448 -13.846 -6.860 12 H GLN 2 HN GLN 2 3.956 -12.896 -4.730 13 HA GLN 2 HA GLN 2 2.600 -11.595 -6.009 14 HB2 GLN 2 2HB GLN 2 1.186 -14.167 -5.803 15 HB3 GLN 2 3HB GLN 2 0.156 -12.804 -6.214 16 HG2 GLN 2 2HG GLN 2 2.220 -12.390 -7.904 17 HG3 GLN 2 3HG GLN 2 2.237 -14.149 -7.788 18 HE21 GLN 2 1HE2 GLN 2 1.497 -14.581 -9.810 19 HE22 GLN 2 2HE2 GLN 2 -0.090 -14.177 -10.360 20 H LEU 3 HN LEU 3 0.776 -10.144 -5.936 21 HA LEU 3 HA LEU 3 -0.392 -9.888 -3.242 22 HB2 LEU 3 2HB LEU 3 -0.184 -7.516 -3.339 23 HB3 LEU 3 3HB LEU 3 1.383 -8.205 -3.710 24 HG LEU 3 HG LEU 3 -0.340 -7.563 -6.031 25 HD11 LEU 3 1HD1 LEU 3 0.529 -5.562 -4.037 26 HD12 LEU 3 2HD1 LEU 3 0.798 -5.166 -5.735 27 HD13 LEU 3 3HD1 LEU 3 -0.829 -5.532 -5.161 28 HD21 LEU 3 3HD2 LEU 3 2.454 -6.651 -5.779 29 HD22 LEU 3 1HD2 LEU 3 2.197 -8.394 -5.762 30 HD23 LEU 3 2HD2 LEU 3 1.630 -7.433 -7.127 31 H ASN 4 HN ASN 4 -2.507 -9.098 -3.098 32 HA ASN 4 HA ASN 4 -3.971 -8.707 -5.601 33 HB2 ASN 4 2HB ASN 4 -4.137 -11.121 -4.940 34 HB3 ASN 4 3HB ASN 4 -4.929 -10.605 -3.453 35 HD21 ASN 4 1HD2 ASN 4 -6.630 -12.024 -4.307 36 HD22 ASN 4 2HD2 ASN 4 -7.791 -11.350 -5.393 37 H ILE 5 HN ILE 5 -6.080 -7.725 -5.302 38 HA ILE 5 HA ILE 5 -6.431 -6.389 -2.707 39 HB ILE 5 HB ILE 5 -7.344 -4.448 -4.317 40 HG12 ILE 5 2HG1 ILE 5 -4.857 -5.223 -5.795 41 HG13 ILE 5 3HG1 ILE 5 -6.394 -5.942 -6.266 42 HG21 ILE 5 1HG2 ILE 5 -5.730 -3.228 -3.360 43 HG22 ILE 5 2HG2 ILE 5 -5.335 -4.725 -2.515 44 HG23 ILE 5 3HG2 ILE 5 -4.441 -4.269 -3.966 45 HD11 ILE 5 3HD1 ILE 5 -6.645 -3.092 -5.968 46 HD12 ILE 5 1HD1 ILE 5 -5.351 -3.506 -7.092 47 HD13 ILE 5 2HD1 ILE 5 -6.984 -4.114 -7.364 48 H THR 6 HN THR 6 -8.592 -5.686 -2.252 49 HA THR 6 HA THR 6 -10.684 -6.707 -4.016 50 HB THR 6 HB THR 6 -10.635 -7.306 -1.054 51 HG1 THR 6 1HG THR 6 -9.977 -8.948 -3.265 52 HG21 THR 6 3HG2 THR 6 -12.647 -7.609 -3.115 53 HG22 THR 6 1HG2 THR 6 -12.789 -7.730 -1.361 54 HG23 THR 6 2HG2 THR 6 -12.268 -9.128 -2.303 55 H GLY 7 HN GLY 7 -12.056 -5.085 -4.362 56 HA2 GLY 7 2HA GLY 7 -12.184 -2.916 -2.394 57 HA3 GLY 7 3HA GLY 7 -12.696 -2.816 -4.068 58 H ASN 8 HN ASN 8 -13.923 -2.429 -1.233 59 HA ASN 8 HA ASN 8 -16.355 -4.025 -1.673 60 HB2 ASN 8 2HB ASN 8 -16.866 -3.678 0.675 61 HB3 ASN 8 3HB ASN 8 -15.223 -4.295 0.535 62 HD21 ASN 8 1HD2 ASN 8 -13.536 -3.033 1.169 63 HD22 ASN 8 2HD2 ASN 8 -13.733 -1.515 1.968 64 H ASN 9 HN ASN 9 -17.970 -2.970 -2.627 65 HA ASN 9 HA ASN 9 -19.411 -1.324 -3.258 66 HB2 ASN 9 2HB ASN 9 -19.629 -1.122 -0.739 67 HB3 ASN 9 3HB ASN 9 -18.475 0.206 -0.826 68 HD21 ASN 9 1HD2 ASN 9 -20.064 1.596 0.019 69 HD22 ASN 9 2HD2 ASN 9 -21.341 2.204 -0.974 70 H VAL 10 HN VAL 10 -16.795 -1.326 -4.334 71 HA VAL 10 HA VAL 10 -16.665 1.420 -5.247 72 HB VAL 10 HB VAL 10 -15.136 1.450 -3.340 73 HG11 VAL 10 1HG1 VAL 10 -14.596 -1.116 -3.899 74 HG12 VAL 10 2HG1 VAL 10 -13.193 -0.346 -4.639 75 HG13 VAL 10 3HG1 VAL 10 -13.539 -0.089 -2.929 76 HG21 VAL 10 3HG2 VAL 10 -14.661 2.805 -5.357 77 HG22 VAL 10 1HG2 VAL 10 -13.206 2.358 -4.466 78 HG23 VAL 10 2HG2 VAL 10 -13.627 1.506 -5.952 79 H GLU 11 HN GLU 11 -16.161 1.534 -7.362 80 HA GLU 11 HA GLU 11 -15.857 -0.884 -8.848 81 HB2 GLU 11 2HB GLU 11 -16.756 1.669 -9.408 82 HB3 GLU 11 3HB GLU 11 -15.243 1.578 -10.300 83 HG2 GLU 11 2HG GLU 11 -16.149 -0.661 -11.185 84 HG3 GLU 11 3HG GLU 11 -17.710 -0.085 -10.604 85 H ILE 12 HN ILE 12 -14.027 -1.953 -9.159 86 HA ILE 12 HA ILE 12 -11.475 -0.711 -8.613 87 HB ILE 12 HB ILE 12 -12.071 -3.512 -9.577 88 HG12 ILE 12 2HG1 ILE 12 -13.091 -2.909 -7.369 89 HG13 ILE 12 3HG1 ILE 12 -11.905 -4.207 -7.278 90 HG21 ILE 12 1HG2 ILE 12 -9.570 -2.290 -8.418 91 HG22 ILE 12 2HG2 ILE 12 -9.812 -4.014 -8.695 92 HG23 ILE 12 3HG2 ILE 12 -9.793 -2.897 -10.058 93 HD11 ILE 12 3HD1 ILE 12 -10.693 -3.073 -5.816 94 HD12 ILE 12 1HD1 ILE 12 -10.644 -1.658 -6.868 95 HD13 ILE 12 2HD1 ILE 12 -11.992 -1.882 -5.753 96 H THR 13 HN THR 13 -11.079 0.766 -10.232 97 HA THR 13 HA THR 13 -11.117 -0.161 -13.006 98 HB THR 13 HB THR 13 -10.706 2.218 -13.567 99 HG1 THR 13 1HG THR 13 -10.825 3.729 -11.842 100 HG21 THR 13 3HG2 THR 13 -13.066 1.191 -12.355 101 HG22 THR 13 1HG2 THR 13 -12.899 2.439 -13.591 102 HG23 THR 13 2HG2 THR 13 -12.861 2.878 -11.883 103 H GLU 14 HN GLU 14 -9.307 -0.231 -14.305 104 HA GLU 14 HA GLU 14 -6.958 -1.175 -13.441 105 HB2 GLU 14 2HB GLU 14 -7.435 0.666 -15.778 106 HB3 GLU 14 3HB GLU 14 -5.907 -0.160 -15.509 107 HG2 GLU 14 2HG GLU 14 -6.747 -2.202 -16.059 108 HG3 GLU 14 3HG GLU 14 -8.383 -1.794 -15.535 109 H ALA 15 HN ALA 15 -7.834 2.237 -13.437 110 HA ALA 15 HA ALA 15 -5.246 3.248 -12.903 111 HB1 ALA 15 1HB ALA 15 -6.560 4.957 -13.592 112 HB2 ALA 15 2HB ALA 15 -8.007 4.297 -12.833 113 HB3 ALA 15 3HB ALA 15 -6.812 5.151 -11.857 114 H LEU 16 HN LEU 16 -7.980 2.435 -10.782 115 HA LEU 16 HA LEU 16 -6.853 3.219 -8.357 116 HB2 LEU 16 2HB LEU 16 -9.235 2.233 -9.051 117 HB3 LEU 16 3HB LEU 16 -8.525 0.763 -8.412 118 HG LEU 16 HG LEU 16 -9.825 1.869 -6.696 119 HD11 LEU 16 1HD1 LEU 16 -7.318 0.907 -6.383 120 HD12 LEU 16 2HD1 LEU 16 -7.137 2.526 -5.707 121 HD13 LEU 16 3HD1 LEU 16 -8.354 1.431 -5.054 122 HD21 LEU 16 3HD2 LEU 16 -8.454 4.234 -7.723 123 HD22 LEU 16 1HD2 LEU 16 -9.988 4.093 -6.866 124 HD23 LEU 16 2HD2 LEU 16 -8.476 4.137 -5.962 125 H ARG 17 HN ARG 17 -7.110 -0.147 -9.499 126 HA ARG 17 HA ARG 17 -5.440 -1.333 -7.668 127 HB2 ARG 17 2HB ARG 17 -5.087 -3.122 -9.313 128 HB3 ARG 17 3HB ARG 17 -6.770 -2.618 -9.258 129 HG2 ARG 17 2HG ARG 17 -6.577 -2.617 -11.491 130 HG3 ARG 17 3HG ARG 17 -5.856 -1.027 -11.234 131 HD2 ARG 17 2HD ARG 17 -3.675 -1.858 -11.454 132 HD3 ARG 17 3HD ARG 17 -4.195 -3.525 -11.224 133 HE ARG 17 HE ARG 17 -5.470 -2.772 -13.494 134 HH11 ARG 17 2HH1 ARG 17 -2.135 -2.691 -12.468 135 HH12 ARG 17 1HH1 ARG 17 -1.507 -2.877 -14.071 136 HH21 ARG 17 2HH2 ARG 17 -4.646 -3.020 -15.602 137 HH22 ARG 17 1HH2 ARG 17 -2.932 -3.064 -15.851 138 H GLU 18 HN GLU 18 -4.550 0.302 -10.667 139 HA GLU 18 HA GLU 18 -1.824 -0.360 -10.673 140 HB2 GLU 18 2HB GLU 18 -3.506 1.732 -11.948 141 HB3 GLU 18 3HB GLU 18 -1.772 2.013 -11.910 142 HG2 GLU 18 2HG GLU 18 -3.030 -0.493 -12.993 143 HG3 GLU 18 3HG GLU 18 -2.627 0.911 -13.980 144 H PHE 19 HN PHE 19 -3.467 2.558 -9.445 145 HA PHE 19 HA PHE 19 -1.304 3.964 -8.508 146 HB2 PHE 19 2HB PHE 19 -3.624 4.806 -8.497 147 HB3 PHE 19 3HB PHE 19 -4.002 3.725 -7.161 148 HD1 PHE 19 1HD PHE 19 -2.960 4.096 -4.944 149 HD2 PHE 19 2HD PHE 19 -2.520 6.867 -8.142 150 HE1 PHE 19 1HE PHE 19 -2.250 5.825 -3.343 151 HE2 PHE 19 2HE PHE 19 -1.808 8.601 -6.549 152 HZ PHE 19 HZ PHE 19 -1.672 8.080 -4.145 153 H VAL 20 HN VAL 20 -3.144 1.473 -6.752 154 HA VAL 20 HA VAL 20 -1.646 1.596 -4.372 155 HB VAL 20 HB VAL 20 -3.058 -0.839 -5.468 156 HG11 VAL 20 1HG1 VAL 20 -2.959 -0.205 -2.578 157 HG12 VAL 20 2HG1 VAL 20 -2.912 -1.765 -3.402 158 HG13 VAL 20 3HG1 VAL 20 -1.464 -0.761 -3.329 159 HG21 VAL 20 3HG2 VAL 20 -4.845 0.546 -5.470 160 HG22 VAL 20 1HG2 VAL 20 -4.824 0.211 -3.737 161 HG23 VAL 20 2HG2 VAL 20 -4.095 1.692 -4.359 162 H THR 21 HN THR 21 -1.438 -0.693 -7.100 163 HA THR 21 HA THR 21 0.785 -2.114 -6.165 164 HB THR 21 HB THR 21 -0.072 -1.615 -9.023 165 HG1 THR 21 1HG THR 21 -1.602 -2.631 -7.511 166 HG21 THR 21 3HG2 THR 21 0.957 -3.917 -9.348 167 HG22 THR 21 1HG2 THR 21 1.812 -3.615 -7.836 168 HG23 THR 21 2HG2 THR 21 2.056 -2.544 -9.216 169 H ALA 22 HN ALA 22 0.524 0.928 -7.856 170 HA ALA 22 HA ALA 22 3.131 1.193 -8.817 171 HB1 ALA 22 1HB ALA 22 0.882 2.759 -8.824 172 HB2 ALA 22 2HB ALA 22 1.984 3.681 -7.801 173 HB3 ALA 22 3HB ALA 22 2.464 3.237 -9.439 174 H LYS 23 HN LYS 23 1.753 2.059 -5.665 175 HA LYS 23 HA LYS 23 4.113 3.183 -4.596 176 HB2 LYS 23 2HB LYS 23 1.663 1.992 -3.305 177 HB3 LYS 23 3HB LYS 23 2.983 2.674 -2.368 178 HG2 LYS 23 2HG LYS 23 1.355 4.166 -4.415 179 HG3 LYS 23 3HG LYS 23 1.128 4.243 -2.667 180 HD2 LYS 23 2HD LYS 23 2.820 5.682 -2.410 181 HD3 LYS 23 3HD LYS 23 3.881 4.750 -3.467 182 HE2 LYS 23 2HE LYS 23 2.487 5.726 -5.390 183 HE3 LYS 23 3HE LYS 23 1.896 6.880 -4.196 184 HZ1 LYS 23 3HZ LYS 23 4.512 6.675 -5.441 185 HZ2 LYS 23 1HZ LYS 23 4.517 7.056 -3.791 186 HZ3 LYS 23 2HZ LYS 23 3.681 8.039 -4.884 187 H PHE 24 HN PHE 24 2.625 -0.012 -4.055 188 HA PHE 24 HA PHE 24 4.531 -1.155 -2.451 189 HB2 PHE 24 2HB PHE 24 2.558 -2.191 -4.396 190 HB3 PHE 24 3HB PHE 24 3.860 -3.296 -3.966 191 HD1 PHE 24 1HD PHE 24 0.942 -1.462 -2.742 192 HD2 PHE 24 2HD PHE 24 4.050 -4.189 -1.736 193 HE1 PHE 24 1HE PHE 24 -0.243 -2.041 -0.665 194 HE2 PHE 24 2HE PHE 24 2.871 -4.773 0.343 195 HZ PHE 24 HZ PHE 24 0.721 -3.699 0.880 196 H ALA 25 HN ALA 25 4.537 -1.024 -6.002 197 HA ALA 25 HA ALA 25 6.785 -2.526 -6.541 198 HB1 ALA 25 1HB ALA 25 5.330 -0.371 -7.906 199 HB2 ALA 25 2HB ALA 25 7.008 -0.568 -8.408 200 HB3 ALA 25 3HB ALA 25 5.891 -1.928 -8.514 201 H LYS 26 HN LYS 26 6.695 1.010 -6.039 202 HA LYS 26 HA LYS 26 9.437 1.462 -6.140 203 HB2 LYS 26 2HB LYS 26 7.248 3.037 -5.813 204 HB3 LYS 26 3HB LYS 26 7.936 3.102 -4.198 205 HG2 LYS 26 2HG LYS 26 9.869 3.496 -6.365 206 HG3 LYS 26 3HG LYS 26 8.624 4.740 -6.243 207 HD2 LYS 26 2HD LYS 26 10.134 3.819 -3.821 208 HD3 LYS 26 3HD LYS 26 10.805 5.044 -4.901 209 HE2 LYS 26 2HE LYS 26 8.296 5.998 -4.537 210 HE3 LYS 26 3HE LYS 26 8.583 5.218 -2.982 211 HZ1 LYS 26 3HZ LYS 26 9.288 7.676 -3.373 212 HZ2 LYS 26 1HZ LYS 26 10.651 6.980 -4.095 213 HZ3 LYS 26 2HZ LYS 26 10.285 6.642 -2.479 214 H LEU 27 HN LEU 27 7.483 0.111 -3.611 215 HA LEU 27 HA LEU 27 9.496 0.450 -1.567 216 HB2 LEU 27 2HB LEU 27 6.779 -0.771 -1.704 217 HB3 LEU 27 3HB LEU 27 7.848 -1.257 -0.403 218 HG LEU 27 HG LEU 27 8.019 1.065 0.350 219 HD11 LEU 27 1HD1 LEU 27 5.945 1.762 -1.711 220 HD12 LEU 27 2HD1 LEU 27 6.833 2.848 -0.643 221 HD13 LEU 27 3HD1 LEU 27 7.671 2.027 -1.959 222 HD21 LEU 27 3HD2 LEU 27 5.462 -0.386 0.169 223 HD22 LEU 27 1HD2 LEU 27 6.340 0.200 1.581 224 HD23 LEU 27 2HD2 LEU 27 5.350 1.311 0.635 225 H GLU 28 HN GLU 28 8.583 -1.916 -3.911 226 HA GLU 28 HA GLU 28 9.721 -4.216 -2.769 227 HB2 GLU 28 2HB GLU 28 8.157 -4.214 -4.693 228 HB3 GLU 28 3HB GLU 28 9.431 -3.544 -5.700 229 HG2 GLU 28 2HG GLU 28 10.257 -5.954 -4.305 230 HG3 GLU 28 3HG GLU 28 8.860 -6.210 -5.350 231 H GLN 29 HN GLN 29 11.226 -1.411 -3.945 232 HA GLN 29 HA GLN 29 13.606 -2.592 -4.980 233 HB2 GLN 29 2HB GLN 29 12.821 -0.311 -5.576 234 HB3 GLN 29 3HB GLN 29 13.177 0.211 -3.935 235 HG2 GLN 29 2HG GLN 29 15.498 -0.096 -4.238 236 HG3 GLN 29 3HG GLN 29 15.256 -0.970 -5.750 237 HE21 GLN 29 1HE2 GLN 29 14.274 2.145 -4.350 238 HE22 GLN 29 2HE2 GLN 29 14.681 3.090 -5.738 239 H TYR 30 HN TYR 30 12.828 -0.979 -1.892 240 HA TYR 30 HA TYR 30 15.355 -1.981 -0.804 241 HB2 TYR 30 2HB TYR 30 14.573 -0.508 1.211 242 HB3 TYR 30 3HB TYR 30 15.242 0.250 -0.228 243 HD1 TYR 30 1HD TYR 30 11.899 -0.868 1.034 244 HD2 TYR 30 2HD TYR 30 14.142 2.111 -1.009 245 HE1 TYR 30 1HE TYR 30 9.875 0.511 0.832 246 HE2 TYR 30 2HE TYR 30 12.124 3.497 -1.218 247 HH TYR 30 HH TYR 30 9.872 3.688 0.151 248 H PHE 31 HN PHE 31 11.924 -2.483 -0.563 249 HA PHE 31 HA PHE 31 12.256 -4.089 1.859 250 HB2 PHE 31 2HB PHE 31 9.792 -3.237 0.333 251 HB3 PHE 31 3HB PHE 31 9.750 -4.317 1.719 252 HD1 PHE 31 1HD PHE 31 12.095 -2.693 3.115 253 HD2 PHE 31 2HD PHE 31 8.319 -1.670 1.444 254 HE1 PHE 31 1HE PHE 31 11.961 -0.755 4.620 255 HE2 PHE 31 2HE PHE 31 8.180 0.273 2.942 256 HZ PHE 31 HZ PHE 31 10.000 0.734 4.533 257 H ASP 32 HN ASP 32 12.720 -6.161 1.695 258 HA ASP 32 HA ASP 32 11.919 -7.609 -0.737 259 HB2 ASP 32 2HB ASP 32 14.424 -7.356 0.275 260 HB3 ASP 32 3HB ASP 32 13.912 -8.848 1.058 261 H ARG 33 HN ARG 33 11.114 -7.246 2.487 262 HA ARG 33 HA ARG 33 10.374 -10.027 2.923 263 HB2 ARG 33 2HB ARG 33 9.668 -7.769 4.772 264 HB3 ARG 33 3HB ARG 33 9.959 -9.459 5.156 265 HG2 ARG 33 2HG ARG 33 12.150 -7.697 4.118 266 HG3 ARG 33 3HG ARG 33 11.730 -7.746 5.830 267 HD2 ARG 33 2HD ARG 33 13.331 -9.365 5.798 268 HD3 ARG 33 3HD ARG 33 11.919 -10.354 5.427 269 HE ARG 33 HE ARG 33 12.762 -9.668 2.982 270 HH11 ARG 33 2HH1 ARG 33 14.488 -10.929 5.743 271 HH12 ARG 33 1HH1 ARG 33 15.674 -11.746 4.784 272 HH21 ARG 33 2HH2 ARG 33 14.323 -10.744 1.721 273 HH22 ARG 33 1HH2 ARG 33 15.581 -11.642 2.501 274 H ILE 34 HN ILE 34 9.026 -9.116 0.763 275 HA ILE 34 HA ILE 34 6.271 -8.948 1.776 276 HB ILE 34 HB ILE 34 7.309 -7.404 -0.608 277 HG12 ILE 34 2HG1 ILE 34 6.080 -5.972 1.659 278 HG13 ILE 34 3HG1 ILE 34 7.636 -6.715 2.015 279 HG21 ILE 34 1HG2 ILE 34 4.925 -6.348 -0.234 280 HG22 ILE 34 2HG2 ILE 34 5.137 -7.812 -1.195 281 HG23 ILE 34 3HG2 ILE 34 4.589 -7.926 0.478 282 HD11 ILE 34 3HD1 ILE 34 7.179 -4.901 -0.334 283 HD12 ILE 34 1HD1 ILE 34 7.719 -4.336 1.248 284 HD13 ILE 34 2HD1 ILE 34 8.716 -5.461 0.325 285 H ASN 35 HN ASN 35 5.460 -10.896 1.263 286 HA ASN 35 HA ASN 35 6.017 -11.965 -1.424 287 HB2 ASN 35 2HB ASN 35 5.267 -14.178 -0.351 288 HB3 ASN 35 3HB ASN 35 6.846 -13.546 0.105 289 HD21 ASN 35 1HD2 ASN 35 7.053 -12.489 2.143 290 HD22 ASN 35 2HD2 ASN 35 5.979 -12.879 3.440 291 H GLN 36 HN GLN 36 3.461 -11.926 1.072 292 HA GLN 36 HA GLN 36 1.488 -11.794 -1.111 293 HB2 GLN 36 2HB GLN 36 1.466 -14.020 -0.050 294 HB3 GLN 36 3HB GLN 36 1.179 -13.267 1.511 295 HG2 GLN 36 2HG GLN 36 -0.992 -13.388 1.142 296 HG3 GLN 36 3HG GLN 36 -0.805 -12.294 -0.227 297 HE21 GLN 36 1HE2 GLN 36 -0.946 -13.075 -2.270 298 HE22 GLN 36 2HE2 GLN 36 -1.326 -14.716 -2.651 299 H VAL 37 HN VAL 37 0.482 -9.893 -1.079 300 HA VAL 37 HA VAL 37 -0.140 -8.690 1.536 301 HB VAL 37 HB VAL 37 0.373 -7.006 -0.896 302 HG11 VAL 37 1HG1 VAL 37 1.183 -5.595 1.269 303 HG12 VAL 37 2HG1 VAL 37 -0.447 -5.544 0.601 304 HG13 VAL 37 3HG1 VAL 37 -0.090 -6.590 1.974 305 HG21 VAL 37 3HG2 VAL 37 2.502 -7.711 -0.900 306 HG22 VAL 37 1HG2 VAL 37 2.666 -6.737 0.563 307 HG23 VAL 37 2HG2 VAL 37 2.355 -8.468 0.687 308 H TYR 38 HN TYR 38 -2.192 -8.024 1.824 309 HA TYR 38 HA TYR 38 -3.945 -7.896 -0.527 310 HB2 TYR 38 2HB TYR 38 -5.741 -8.775 1.198 311 HB3 TYR 38 3HB TYR 38 -4.727 -9.891 0.294 312 HD1 TYR 38 1HD TYR 38 -2.459 -10.536 1.505 313 HD2 TYR 38 2HD TYR 38 -5.929 -9.062 3.480 314 HE1 TYR 38 1HE TYR 38 -1.683 -11.543 3.608 315 HE2 TYR 38 2HE TYR 38 -5.159 -10.063 5.590 316 HH TYR 38 HH TYR 38 -3.651 -11.944 6.295 317 H VAL 39 HN VAL 39 -5.067 -6.097 -0.685 318 HA VAL 39 HA VAL 39 -5.375 -4.411 1.717 319 HB VAL 39 HB VAL 39 -5.093 -3.340 -1.088 320 HG11 VAL 39 1HG1 VAL 39 -4.530 -1.881 1.466 321 HG12 VAL 39 2HG1 VAL 39 -4.928 -1.233 -0.124 322 HG13 VAL 39 3HG1 VAL 39 -6.174 -2.017 0.845 323 HG21 VAL 39 3HG2 VAL 39 -3.024 -4.212 0.833 324 HG22 VAL 39 1HG2 VAL 39 -2.968 -4.100 -0.927 325 HG23 VAL 39 2HG2 VAL 39 -2.764 -2.649 0.056 326 H VAL 40 HN VAL 40 -7.285 -3.280 1.977 327 HA VAL 40 HA VAL 40 -9.398 -3.655 -0.013 328 HB VAL 40 HB VAL 40 -9.848 -4.235 2.921 329 HG11 VAL 40 1HG1 VAL 40 -11.946 -3.737 2.266 330 HG12 VAL 40 2HG1 VAL 40 -11.581 -3.970 0.556 331 HG13 VAL 40 3HG1 VAL 40 -11.911 -5.363 1.586 332 HG21 VAL 40 3HG2 VAL 40 -8.614 -6.083 2.288 333 HG22 VAL 40 1HG2 VAL 40 -10.259 -6.609 1.934 334 HG23 VAL 40 2HG2 VAL 40 -9.212 -6.046 0.630 335 H LEU 41 HN LEU 41 -10.672 -1.953 -0.250 336 HA LEU 41 HA LEU 41 -10.547 0.175 1.765 337 HB2 LEU 41 2HB LEU 41 -10.701 1.702 -0.374 338 HB3 LEU 41 3HB LEU 41 -9.161 1.145 0.247 339 HG LEU 41 HG LEU 41 -9.286 0.983 -2.196 340 HD11 LEU 41 1HD1 LEU 41 -8.331 -0.913 -0.459 341 HD12 LEU 41 2HD1 LEU 41 -9.253 -1.855 -1.629 342 HD13 LEU 41 3HD1 LEU 41 -7.959 -0.791 -2.178 343 HD21 LEU 41 3HD2 LEU 41 -11.799 0.482 -2.137 344 HD22 LEU 41 1HD2 LEU 41 -10.816 -0.326 -3.357 345 HD23 LEU 41 2HD2 LEU 41 -11.311 -1.197 -1.908 346 H LYS 42 HN LYS 42 -12.442 0.960 2.365 347 HA LYS 42 HA LYS 42 -14.816 0.186 0.824 348 HB2 LYS 42 2HB LYS 42 -15.049 -0.572 3.040 349 HB3 LYS 42 3HB LYS 42 -14.384 0.912 3.713 350 HG2 LYS 42 2HG LYS 42 -16.388 2.120 3.173 351 HG3 LYS 42 3HG LYS 42 -17.038 0.729 2.304 352 HD2 LYS 42 2HD LYS 42 -18.108 0.684 4.393 353 HD3 LYS 42 3HD LYS 42 -16.833 -0.532 4.514 354 HE2 LYS 42 2HE LYS 42 -15.616 1.824 5.336 355 HE3 LYS 42 3HE LYS 42 -17.231 1.902 6.039 356 HZ1 LYS 42 3HZ LYS 42 -15.663 -0.574 6.278 357 HZ2 LYS 42 1HZ LYS 42 -16.874 0.029 7.294 358 HZ3 LYS 42 2HZ LYS 42 -15.331 0.723 7.311 359 H VAL 43 HN VAL 43 -15.979 1.654 -0.235 360 HA VAL 43 HA VAL 43 -15.351 4.497 0.220 361 HB VAL 43 HB VAL 43 -16.420 3.249 -2.313 362 HG11 VAL 43 1HG1 VAL 43 -15.616 5.472 -3.256 363 HG12 VAL 43 2HG1 VAL 43 -17.076 5.509 -2.266 364 HG13 VAL 43 3HG1 VAL 43 -15.534 6.027 -1.584 365 HG21 VAL 43 3HG2 VAL 43 -13.613 4.089 -1.597 366 HG22 VAL 43 1HG2 VAL 43 -14.175 2.448 -1.917 367 HG23 VAL 43 2HG2 VAL 43 -14.153 3.642 -3.216 368 H GLU 44 HN GLU 44 -16.889 5.438 1.373 369 HA GLU 44 HA GLU 44 -19.683 5.023 0.572 370 HB2 GLU 44 2HB GLU 44 -20.302 5.257 3.017 371 HB3 GLU 44 3HB GLU 44 -19.540 3.741 2.560 372 HG2 GLU 44 2HG GLU 44 -17.447 4.444 3.490 373 HG3 GLU 44 3HG GLU 44 -18.081 6.060 3.800 374 H LYS 45 HN LYS 45 -21.072 6.810 0.948 375 HA LYS 45 HA LYS 45 -20.035 9.286 0.301 376 HB2 LYS 45 2HB LYS 45 -22.482 8.384 0.283 377 HB3 LYS 45 3HB LYS 45 -22.562 9.079 1.898 378 HG2 LYS 45 2HG LYS 45 -21.454 11.090 0.341 379 HG3 LYS 45 3HG LYS 45 -22.697 10.370 -0.685 380 HD2 LYS 45 2HD LYS 45 -24.037 10.527 1.649 381 HD3 LYS 45 3HD LYS 45 -22.956 11.911 1.819 382 HE2 LYS 45 2HE LYS 45 -23.843 12.993 -0.030 383 HE3 LYS 45 3HE LYS 45 -24.484 11.502 -0.719 384 HZ1 LYS 45 3HZ LYS 45 -25.556 12.399 1.853 385 HZ2 LYS 45 1HZ LYS 45 -26.328 11.582 0.586 386 HZ3 LYS 45 2HZ LYS 45 -26.029 13.243 0.466 387 H VAL 46 HN VAL 46 -20.121 7.776 3.405 388 HA VAL 46 HA VAL 46 -19.884 10.264 4.859 389 HB VAL 46 HB VAL 46 -19.612 7.424 5.845 390 HG11 VAL 46 1HG1 VAL 46 -20.386 9.050 7.950 391 HG12 VAL 46 2HG1 VAL 46 -18.783 8.363 7.691 392 HG13 VAL 46 3HG1 VAL 46 -19.148 9.989 7.116 393 HG21 VAL 46 3HG2 VAL 46 -21.955 9.074 6.544 394 HG22 VAL 46 1HG2 VAL 46 -21.863 8.516 4.873 395 HG23 VAL 46 2HG2 VAL 46 -21.842 7.348 6.195 396 H THR 47 HN THR 47 -17.811 7.444 5.413 397 HA THR 47 HA THR 47 -15.467 9.140 4.878 398 HB THR 47 HB THR 47 -15.740 7.217 7.194 399 HG1 THR 47 1HG THR 47 -16.985 9.177 7.386 400 HG21 THR 47 3HG2 THR 47 -13.722 8.645 7.970 401 HG22 THR 47 1HG2 THR 47 -13.520 8.963 6.248 402 HG23 THR 47 2HG2 THR 47 -13.472 7.306 6.850 403 H HIS 48 HN HIS 48 -13.533 8.023 4.295 404 HA HIS 48 HA HIS 48 -14.077 5.428 3.036 405 HB2 HIS 48 2HB HIS 48 -11.776 7.321 2.517 406 HB3 HIS 48 3HB HIS 48 -12.198 5.893 1.576 407 HD1 HIS 48 1HD HIS 48 -12.967 6.778 -0.610 408 HD2 HIS 48 2HD HIS 48 -14.571 8.906 2.580 409 HE1 HIS 48 1HE HIS 48 -14.581 8.411 -1.635 410 HE2 HIS 48 2HE HIS 48 -15.487 9.736 0.307 411 H THR 49 HN THR 49 -13.012 3.618 3.624 412 HA THR 49 HA THR 49 -10.819 3.903 5.575 413 HB THR 49 HB THR 49 -12.905 1.716 5.555 414 HG1 THR 49 1HG THR 49 -14.004 2.854 6.956 415 HG21 THR 49 3HG2 THR 49 -10.414 2.021 6.969 416 HG22 THR 49 1HG2 THR 49 -11.514 0.644 6.900 417 HG23 THR 49 2HG2 THR 49 -11.783 1.930 8.078 418 H SER 50 HN SER 50 -9.074 2.566 5.365 419 HA SER 50 HA SER 50 -9.119 0.545 3.241 420 HB2 SER 50 2HB SER 50 -6.867 1.366 2.469 421 HB3 SER 50 3HB SER 50 -8.202 2.466 2.129 422 HG SER 50 HG SER 50 -6.598 2.697 4.448 423 H ASP 51 HN ASP 51 -7.664 -1.160 3.504 424 HA ASP 51 HA ASP 51 -6.046 -1.163 5.951 425 HB2 ASP 51 2HB ASP 51 -6.816 -3.434 6.497 426 HB3 ASP 51 3HB ASP 51 -8.153 -2.289 6.498 427 H ALA 52 HN ALA 52 -4.197 -2.473 5.880 428 HA ALA 52 HA ALA 52 -3.677 -3.958 3.419 429 HB1 ALA 52 1HB ALA 52 -1.753 -2.795 2.797 430 HB2 ALA 52 2HB ALA 52 -2.903 -1.524 3.212 431 HB3 ALA 52 3HB ALA 52 -1.634 -1.971 4.351 432 H THR 53 HN THR 53 -3.180 -5.895 4.152 433 HA THR 53 HA THR 53 -1.513 -6.153 6.560 434 HB THR 53 HB THR 53 -2.894 -8.465 5.250 435 HG1 THR 53 1HG THR 53 -4.501 -6.891 5.466 436 HG21 THR 53 3HG2 THR 53 -1.351 -8.383 7.443 437 HG22 THR 53 1HG2 THR 53 -2.661 -9.540 7.205 438 HG23 THR 53 2HG2 THR 53 -2.933 -8.085 8.163 439 H LEU 54 HN LEU 54 0.587 -6.408 6.184 440 HA LEU 54 HA LEU 54 1.453 -7.665 3.685 441 HB2 LEU 54 2HB LEU 54 2.806 -5.885 5.687 442 HB3 LEU 54 3HB LEU 54 3.741 -6.813 4.529 443 HG LEU 54 HG LEU 54 2.602 -5.679 2.679 444 HD11 LEU 54 1HD1 LEU 54 0.457 -5.219 3.584 445 HD12 LEU 54 2HD1 LEU 54 1.144 -4.265 4.899 446 HD13 LEU 54 3HD1 LEU 54 1.212 -3.662 3.243 447 HD21 LEU 54 3HD2 LEU 54 3.980 -3.892 2.746 448 HD22 LEU 54 1HD2 LEU 54 3.430 -3.390 4.346 449 HD23 LEU 54 2HD2 LEU 54 4.599 -4.700 4.185 450 H HIS 55 HN HIS 55 2.858 -9.399 3.625 451 HA HIS 55 HA HIS 55 2.826 -11.085 6.000 452 HB2 HIS 55 2HB HIS 55 3.288 -11.547 3.085 453 HB3 HIS 55 3HB HIS 55 3.965 -12.694 4.234 454 HD1 HIS 55 1HD HIS 55 2.459 -14.660 3.952 455 HD2 HIS 55 2HD HIS 55 0.347 -11.114 4.441 456 HE1 HIS 55 1HE HIS 55 0.046 -15.337 4.157 457 HE2 HIS 55 2HE HIS 55 -1.196 -13.186 4.571 458 H VAL 56 HN VAL 56 4.511 -11.314 7.307 459 HA VAL 56 HA VAL 56 7.116 -10.277 6.426 460 HB VAL 56 HB VAL 56 6.548 -10.984 9.278 461 HG11 VAL 56 1HG1 VAL 56 8.419 -9.230 7.775 462 HG12 VAL 56 2HG1 VAL 56 7.979 -8.778 9.421 463 HG13 VAL 56 3HG1 VAL 56 8.733 -10.341 9.107 464 HG21 VAL 56 3HG2 VAL 56 4.797 -9.586 9.325 465 HG22 VAL 56 1HG2 VAL 56 5.997 -8.301 9.185 466 HG23 VAL 56 2HG2 VAL 56 5.181 -8.906 7.744 467 H ASN 57 HN ASN 57 9.036 -11.441 7.448 468 HA ASN 57 HA ASN 57 9.339 -13.955 6.439 469 HB2 ASN 57 2HB ASN 57 10.714 -12.478 8.643 470 HB3 ASN 57 3HB ASN 57 11.113 -14.174 8.386 471 HD21 ASN 57 1HD2 ASN 57 13.230 -13.036 7.996 472 HD22 ASN 57 2HD2 ASN 57 13.575 -12.579 6.366 473 H GLY 58 HN GLY 58 8.852 -13.335 9.932 474 HA2 GLY 58 2HA GLY 58 7.888 -16.098 10.193 475 HA3 GLY 58 3HA GLY 58 8.447 -15.078 11.509 476 H GLY 59 HN GLY 59 7.000 -12.843 11.363 477 HA2 GLY 59 2HA GLY 59 4.287 -13.840 11.866 478 HA3 GLY 59 3HA GLY 59 4.960 -12.339 12.479 479 H GLU 60 HN GLU 60 2.814 -11.569 11.697 480 HA GLU 60 HA GLU 60 3.110 -10.562 8.965 481 HB2 GLU 60 2HB GLU 60 0.548 -11.773 10.023 482 HB3 GLU 60 3HB GLU 60 0.762 -11.016 8.450 483 HG2 GLU 60 2HG GLU 60 2.396 -12.763 7.864 484 HG3 GLU 60 3HG GLU 60 2.088 -13.538 9.417 485 H ILE 61 HN ILE 61 2.539 -8.459 8.745 486 HA ILE 61 HA ILE 61 1.515 -7.116 11.146 487 HB ILE 61 HB ILE 61 2.756 -5.821 8.719 488 HG12 ILE 61 2HG1 ILE 61 4.222 -6.205 11.304 489 HG13 ILE 61 3HG1 ILE 61 4.183 -7.518 10.133 490 HG21 ILE 61 1HG2 ILE 61 3.141 -3.957 10.321 491 HG22 ILE 61 2HG2 ILE 61 1.438 -4.292 10.005 492 HG23 ILE 61 3HG2 ILE 61 2.182 -4.841 11.508 493 HD11 ILE 61 3HD1 ILE 61 6.185 -6.219 9.851 494 HD12 ILE 61 1HD1 ILE 61 5.138 -6.006 8.448 495 HD13 ILE 61 2HD1 ILE 61 5.240 -4.742 9.673 496 H HIS 62 HN HIS 62 -0.307 -5.862 11.125 497 HA HIS 62 HA HIS 62 -1.777 -5.634 8.592 498 HB2 HIS 62 2HB HIS 62 -2.617 -7.538 10.062 499 HB3 HIS 62 3HB HIS 62 -3.130 -6.301 11.205 500 HD1 HIS 62 1HD HIS 62 -5.272 -8.062 10.047 501 HD2 HIS 62 2HD HIS 62 -4.061 -4.518 8.244 502 HE1 HIS 62 1HE HIS 62 -7.200 -7.352 8.596 503 HE2 HIS 62 2HE HIS 62 -6.477 -5.164 7.580 504 H ALA 63 HN ALA 63 -1.947 -3.526 8.201 505 HA ALA 63 HA ALA 63 -2.652 -1.749 10.445 506 HB1 ALA 63 1HB ALA 63 -1.409 0.031 9.039 507 HB2 ALA 63 2HB ALA 63 -0.467 -1.105 10.005 508 HB3 ALA 63 3HB ALA 63 -0.637 -1.354 8.267 509 H SER 64 HN SER 64 -3.967 0.096 9.899 510 HA SER 64 HA SER 64 -5.237 0.026 7.270 511 HB2 SER 64 2HB SER 64 -6.745 -1.315 8.562 512 HB3 SER 64 3HB SER 64 -6.690 -0.182 9.911 513 HG SER 64 HG SER 64 -7.782 1.323 8.635 514 H ALA 65 HN ALA 65 -6.182 2.004 6.640 515 HA ALA 65 HA ALA 65 -5.913 4.273 8.453 516 HB1 ALA 65 1HB ALA 65 -4.295 5.379 7.347 517 HB2 ALA 65 2HB ALA 65 -3.849 3.767 6.786 518 HB3 ALA 65 3HB ALA 65 -4.839 4.812 5.768 519 H GLU 66 HN GLU 66 -6.882 6.264 7.543 520 HA GLU 66 HA GLU 66 -8.905 5.743 5.482 521 HB2 GLU 66 2HB GLU 66 -10.605 6.914 6.830 522 HB3 GLU 66 3HB GLU 66 -10.040 5.443 7.612 523 HG2 GLU 66 2HG GLU 66 -8.670 6.708 9.123 524 HG3 GLU 66 3HG GLU 66 -9.050 8.206 8.274 525 H GLY 67 HN GLY 67 -9.808 7.716 4.541 526 HA2 GLY 67 2HA GLY 67 -8.461 10.216 5.094 527 HA3 GLY 67 3HA GLY 67 -8.030 9.487 3.556 528 H GLN 68 HN GLN 68 -9.121 11.940 3.507 529 HA GLN 68 HA GLN 68 -11.862 12.226 3.448 530 HB2 GLN 68 2HB GLN 68 -10.298 14.095 3.236 531 HB3 GLN 68 3HB GLN 68 -9.827 13.532 1.638 532 HG2 GLN 68 2HG GLN 68 -11.752 14.258 0.655 533 HG3 GLN 68 3HG GLN 68 -12.698 14.094 2.134 534 HE21 GLN 68 1HE2 GLN 68 -12.356 15.683 3.812 535 HE22 GLN 68 2HE2 GLN 68 -11.895 17.290 3.380 536 H ASP 69 HN ASP 69 -9.916 10.362 1.308 537 HA ASP 69 HA ASP 69 -12.270 9.620 -0.196 538 HB2 ASP 69 2HB ASP 69 -11.114 9.980 -2.395 539 HB3 ASP 69 3HB ASP 69 -11.542 11.467 -1.554 540 H MET 70 HN MET 70 -11.582 7.890 -1.902 541 HA MET 70 HA MET 70 -10.454 5.737 -0.533 542 HB2 MET 70 2HB MET 70 -11.947 5.810 -2.673 543 HB3 MET 70 3HB MET 70 -10.412 5.869 -3.529 544 HG2 MET 70 2HG MET 70 -10.503 3.783 -1.505 545 HG3 MET 70 3HG MET 70 -11.749 3.606 -2.739 546 HE1 MET 70 3HE MET 70 -7.308 2.958 -2.998 547 HE2 MET 70 1HE MET 70 -7.674 4.681 -3.073 548 HE3 MET 70 2HE MET 70 -8.237 3.718 -1.707 549 H TYR 71 HN TYR 71 -9.035 7.673 -3.172 550 HA TYR 71 HA TYR 71 -6.532 6.459 -3.220 551 HB2 TYR 71 2HB TYR 71 -7.380 9.280 -3.879 552 HB3 TYR 71 3HB TYR 71 -5.745 8.687 -4.155 553 HD1 TYR 71 1HD TYR 71 -5.851 6.207 -5.374 554 HD2 TYR 71 2HD TYR 71 -8.674 9.364 -5.774 555 HE1 TYR 71 1HE TYR 71 -6.546 5.302 -7.553 556 HE2 TYR 71 2HE TYR 71 -9.377 8.469 -7.953 557 HH TYR 71 HH TYR 71 -8.540 7.051 -9.718 558 H ALA 72 HN ALA 72 -7.731 9.110 -1.218 559 HA ALA 72 HA ALA 72 -5.327 9.897 -0.042 560 HB1 ALA 72 1HB ALA 72 -7.909 9.864 1.482 561 HB2 ALA 72 2HB ALA 72 -6.604 11.049 1.532 562 HB3 ALA 72 3HB ALA 72 -7.662 10.961 0.124 563 H ALA 73 HN ALA 73 -7.713 7.519 1.113 564 HA ALA 73 HA ALA 73 -6.493 6.731 3.454 565 HB1 ALA 73 1HB ALA 73 -7.682 4.565 1.829 566 HB2 ALA 73 2HB ALA 73 -7.993 5.036 3.500 567 HB3 ALA 73 3HB ALA 73 -8.711 5.955 2.177 568 H ILE 74 HN ILE 74 -5.652 5.895 0.160 569 HA ILE 74 HA ILE 74 -3.861 3.772 0.863 570 HB ILE 74 HB ILE 74 -3.968 5.354 -1.708 571 HG12 ILE 74 2HG1 ILE 74 -6.143 4.353 -1.220 572 HG13 ILE 74 3HG1 ILE 74 -5.367 3.505 -2.555 573 HG21 ILE 74 1HG2 ILE 74 -2.430 3.967 -2.558 574 HG22 ILE 74 2HG2 ILE 74 -2.049 3.590 -0.878 575 HG23 ILE 74 3HG2 ILE 74 -3.146 2.551 -1.788 576 HD11 ILE 74 3HD1 ILE 74 -5.420 2.565 0.302 577 HD12 ILE 74 1HD1 ILE 74 -6.463 1.980 -0.993 578 HD13 ILE 74 2HD1 ILE 74 -4.722 1.707 -1.071 579 H ASP 75 HN ASP 75 -3.579 7.230 0.332 580 HA ASP 75 HA ASP 75 -0.770 7.361 0.122 581 HB2 ASP 75 2HB ASP 75 -2.514 9.174 -0.412 582 HB3 ASP 75 3HB ASP 75 -2.477 9.541 1.310 583 H GLY 76 HN GLY 76 -2.871 8.080 2.925 584 HA2 GLY 76 2HA GLY 76 -0.736 8.356 4.755 585 HA3 GLY 76 3HA GLY 76 -2.420 8.084 5.178 586 H LEU 77 HN LEU 77 -2.700 5.585 3.820 587 HA LEU 77 HA LEU 77 -1.745 3.851 5.855 588 HB2 LEU 77 2HB LEU 77 -3.854 3.474 4.659 589 HB3 LEU 77 3HB LEU 77 -2.965 3.200 3.172 590 HG LEU 77 HG LEU 77 -2.247 1.465 5.462 591 HD11 LEU 77 1HD1 LEU 77 -4.511 1.236 5.859 592 HD12 LEU 77 2HD1 LEU 77 -4.939 1.477 4.164 593 HD13 LEU 77 3HD1 LEU 77 -4.209 -0.043 4.682 594 HD21 LEU 77 3HD2 LEU 77 -1.590 0.027 3.837 595 HD22 LEU 77 1HD2 LEU 77 -2.912 0.466 2.756 596 HD23 LEU 77 2HD2 LEU 77 -1.505 1.518 2.902 597 H ILE 78 HN ILE 78 -0.775 4.423 2.500 598 HA ILE 78 HA ILE 78 1.177 2.349 2.453 599 HB ILE 78 HB ILE 78 0.057 3.404 0.436 600 HG12 ILE 78 2HG1 ILE 78 2.551 3.515 -0.692 601 HG13 ILE 78 3HG1 ILE 78 2.859 2.595 0.775 602 HG21 ILE 78 1HG2 ILE 78 1.260 5.735 1.447 603 HG22 ILE 78 2HG2 ILE 78 2.092 5.356 -0.059 604 HG23 ILE 78 3HG2 ILE 78 0.340 5.551 -0.044 605 HD11 ILE 78 3HD1 ILE 78 0.745 1.918 -1.253 606 HD12 ILE 78 1HD1 ILE 78 2.350 1.186 -1.178 607 HD13 ILE 78 2HD1 ILE 78 1.214 0.959 0.152 608 H ASP 79 HN ASP 79 1.155 5.543 3.712 609 HA ASP 79 HA ASP 79 4.006 5.942 3.584 610 HB2 ASP 79 2HB ASP 79 2.107 7.733 3.685 611 HB3 ASP 79 3HB ASP 79 2.190 7.465 5.423 612 H LYS 80 HN LYS 80 1.653 5.263 6.168 613 HA LYS 80 HA LYS 80 3.609 4.964 8.200 614 HB2 LYS 80 2HB LYS 80 1.711 3.822 9.440 615 HB3 LYS 80 3HB LYS 80 1.413 5.474 8.916 616 HG2 LYS 80 2HG LYS 80 -0.318 4.864 7.668 617 HG3 LYS 80 3HG LYS 80 0.588 3.549 6.917 618 HD2 LYS 80 2HD LYS 80 -1.075 2.389 8.013 619 HD3 LYS 80 3HD LYS 80 0.215 2.366 9.217 620 HE2 LYS 80 2HE LYS 80 -0.794 4.206 10.400 621 HE3 LYS 80 3HE LYS 80 -2.014 4.395 9.142 622 HZ1 LYS 80 3HZ LYS 80 -2.378 2.988 11.381 623 HZ2 LYS 80 1HZ LYS 80 -1.870 1.758 10.334 624 HZ3 LYS 80 2HZ LYS 80 -3.221 2.699 9.942 625 H LEU 81 HN LEU 81 2.122 2.764 5.911 626 HA LEU 81 HA LEU 81 2.940 0.350 7.122 627 HB2 LEU 81 2HB LEU 81 2.040 1.155 4.394 628 HB3 LEU 81 3HB LEU 81 2.786 -0.418 4.598 629 HG LEU 81 HG LEU 81 0.171 -0.108 4.742 630 HD11 LEU 81 1HD1 LEU 81 0.203 -2.032 6.462 631 HD12 LEU 81 2HD1 LEU 81 0.997 -2.261 4.903 632 HD13 LEU 81 3HD1 LEU 81 1.957 -1.896 6.337 633 HD21 LEU 81 3HD2 LEU 81 -0.732 0.390 6.808 634 HD22 LEU 81 1HD2 LEU 81 0.782 0.089 7.661 635 HD23 LEU 81 2HD2 LEU 81 0.587 1.554 6.701 636 H ALA 82 HN ALA 82 4.419 2.329 4.551 637 HA ALA 82 HA ALA 82 6.622 0.692 4.046 638 HB1 ALA 82 1HB ALA 82 5.977 3.541 3.610 639 HB2 ALA 82 2HB ALA 82 7.686 3.107 3.570 640 HB3 ALA 82 3HB ALA 82 6.551 2.317 2.475 641 H ARG 83 HN ARG 83 6.452 3.535 6.190 642 HA ARG 83 HA ARG 83 8.996 3.409 7.260 643 HB2 ARG 83 2HB ARG 83 6.453 4.240 8.668 644 HB3 ARG 83 3HB ARG 83 8.083 4.631 9.197 645 HG2 ARG 83 2HG ARG 83 6.923 5.476 6.553 646 HG3 ARG 83 3HG ARG 83 6.919 6.474 8.008 647 HD2 ARG 83 2HD ARG 83 9.390 6.305 8.072 648 HD3 ARG 83 3HD ARG 83 9.339 5.412 6.553 649 HE ARG 83 HE ARG 83 8.025 7.966 6.440 650 HH11 ARG 83 2HH1 ARG 83 11.078 6.304 6.128 651 HH12 ARG 83 1HH1 ARG 83 11.781 7.522 5.119 652 HH21 ARG 83 2HH2 ARG 83 8.946 9.569 5.109 653 HH22 ARG 83 1HH2 ARG 83 10.570 9.376 4.540 654 H GLN 84 HN GLN 84 6.176 1.483 8.045 655 HA GLN 84 HA GLN 84 7.227 0.375 10.458 656 HB2 GLN 84 2HB GLN 84 4.932 -0.272 8.646 657 HB3 GLN 84 3HB GLN 84 5.417 -1.435 9.871 658 HG2 GLN 84 2HG GLN 84 5.179 1.236 10.958 659 HG3 GLN 84 3HG GLN 84 3.684 0.697 10.193 660 HE21 GLN 84 1HE2 GLN 84 3.121 -1.649 10.776 661 HE22 GLN 84 2HE2 GLN 84 3.245 -2.052 12.451 662 H LEU 85 HN LEU 85 7.175 -0.609 7.082 663 HA LEU 85 HA LEU 85 8.218 -3.191 7.385 664 HB2 LEU 85 2HB LEU 85 8.142 -1.221 5.148 665 HB3 LEU 85 3HB LEU 85 9.173 -2.630 4.987 666 HG LEU 85 HG LEU 85 6.791 -3.737 5.805 667 HD11 LEU 85 1HD1 LEU 85 6.226 -1.146 4.647 668 HD12 LEU 85 2HD1 LEU 85 5.485 -2.456 3.725 669 HD13 LEU 85 3HD1 LEU 85 5.146 -2.289 5.448 670 HD21 LEU 85 3HD2 LEU 85 6.642 -3.928 3.094 671 HD22 LEU 85 1HD2 LEU 85 8.340 -3.516 3.328 672 HD23 LEU 85 2HD2 LEU 85 7.661 -4.936 4.121 673 H THR 86 HN THR 86 9.822 -0.062 7.065 674 HA THR 86 HA THR 86 12.461 -1.074 6.888 675 HB THR 86 HB THR 86 11.807 1.600 8.089 676 HG1 THR 86 1HG THR 86 11.792 1.089 5.310 677 HG21 THR 86 3HG2 THR 86 13.890 0.846 6.060 678 HG22 THR 86 1HG2 THR 86 14.178 0.915 7.798 679 HG23 THR 86 2HG2 THR 86 13.728 2.376 6.920 680 H LYS 87 HN LYS 87 10.418 -0.091 9.589 681 HA LYS 87 HA LYS 87 12.278 -0.087 11.643 682 HB2 LYS 87 2HB LYS 87 9.610 0.303 11.510 683 HB3 LYS 87 3HB LYS 87 9.643 -1.284 12.269 684 HG2 LYS 87 2HG LYS 87 10.054 -0.339 14.223 685 HG3 LYS 87 3HG LYS 87 11.557 0.333 13.588 686 HD2 LYS 87 2HD LYS 87 9.101 1.755 12.801 687 HD3 LYS 87 3HD LYS 87 9.497 1.822 14.520 688 HE2 LYS 87 2HE LYS 87 11.734 2.646 13.969 689 HE3 LYS 87 3HE LYS 87 11.340 2.573 12.252 690 HZ1 LYS 87 3HZ LYS 87 10.489 4.494 14.274 691 HZ2 LYS 87 1HZ LYS 87 9.354 4.086 13.087 692 HZ3 LYS 87 2HZ LYS 87 10.851 4.733 12.640 693 H HIS 88 HN HIS 88 10.107 -2.815 10.862 694 HA HIS 88 HA HIS 88 11.482 -4.656 12.494 695 HB2 HIS 88 2HB HIS 88 9.987 -6.260 11.723 696 HB3 HIS 88 3HB HIS 88 9.085 -4.768 11.482 697 HD1 HIS 88 1HD HIS 88 8.396 -4.201 9.115 698 HD2 HIS 88 2HD HIS 88 11.006 -7.428 9.312 699 HE1 HIS 88 1HE HIS 88 8.426 -5.183 6.801 700 HE2 HIS 88 2HE HIS 88 10.070 -7.089 6.925 701 H LYS 89 HN LYS 89 12.029 -3.567 9.249 702 HA LYS 89 HA LYS 89 13.671 -5.774 8.455 703 HB2 LYS 89 2HB LYS 89 12.424 -4.267 6.879 704 HB3 LYS 89 3HB LYS 89 13.595 -3.008 7.250 705 HG2 LYS 89 2HG LYS 89 14.708 -3.799 5.485 706 HG3 LYS 89 3HG LYS 89 15.216 -5.091 6.574 707 HD2 LYS 89 2HD LYS 89 14.358 -6.001 4.479 708 HD3 LYS 89 3HD LYS 89 13.323 -6.455 5.836 709 HE2 LYS 89 2HE LYS 89 12.572 -3.947 4.517 710 HE3 LYS 89 3HE LYS 89 12.447 -5.373 3.491 711 HZ1 LYS 89 3HZ LYS 89 10.656 -6.063 4.588 712 HZ2 LYS 89 1HZ LYS 89 10.593 -4.530 5.300 713 HZ3 LYS 89 2HZ LYS 89 11.361 -5.805 6.104 714 H ASP 90 HN ASP 90 14.190 -3.063 10.450 715 HA ASP 90 HA ASP 90 17.009 -2.803 9.891 716 HB2 ASP 90 2HB ASP 90 15.191 -1.088 10.930 717 HB3 ASP 90 3HB ASP 90 15.918 -1.701 12.412 718 H LYS 91 HN LYS 91 14.964 -4.461 12.189 719 HA LYS 91 HA LYS 91 16.761 -5.082 14.198 720 HB2 LYS 91 2HB LYS 91 14.350 -6.449 13.085 721 HB3 LYS 91 3HB LYS 91 15.343 -7.311 14.252 722 HG2 LYS 91 2HG LYS 91 14.478 -6.172 15.944 723 HG3 LYS 91 3HG LYS 91 14.794 -4.628 15.151 724 HD2 LYS 91 2HD LYS 91 12.726 -4.680 14.011 725 HD3 LYS 91 3HD LYS 91 12.469 -6.381 14.400 726 HE2 LYS 91 2HE LYS 91 11.167 -5.572 16.043 727 HE3 LYS 91 3HE LYS 91 12.696 -5.310 16.881 728 HZ1 LYS 91 3HZ LYS 91 11.863 -3.181 15.093 729 HZ2 LYS 91 1HZ LYS 91 12.545 -3.095 16.639 730 HZ3 LYS 91 2HZ LYS 91 10.892 -3.399 16.459 731 H LEU 92 HN LEU 92 16.075 -6.972 11.255 732 HA LEU 92 HA LEU 92 17.927 -9.012 11.707 733 HB2 LEU 92 2HB LEU 92 16.938 -7.869 9.097 734 HB3 LEU 92 3HB LEU 92 17.828 -9.371 9.248 735 HG LEU 92 HG LEU 92 15.580 -9.471 11.011 736 HD11 LEU 92 1HD1 LEU 92 15.058 -8.307 8.331 737 HD12 LEU 92 2HD1 LEU 92 13.937 -9.524 8.941 738 HD13 LEU 92 3HD1 LEU 92 14.223 -8.048 9.862 739 HD21 LEU 92 3HD2 LEU 92 16.239 -11.533 10.347 740 HD22 LEU 92 1HD2 LEU 92 15.014 -11.262 9.108 741 HD23 LEU 92 2HD2 LEU 92 16.717 -10.984 8.740 742 H LYS 93 HN LYS 93 18.339 -5.784 10.444 743 HA LYS 93 HA LYS 93 20.927 -6.171 9.335 744 HB2 LYS 93 2HB LYS 93 19.068 -4.142 9.306 745 HB3 LYS 93 3HB LYS 93 20.343 -3.471 10.313 746 HG2 LYS 93 2HG LYS 93 21.717 -3.178 8.580 747 HG3 LYS 93 3HG LYS 93 21.337 -4.758 7.892 748 HD2 LYS 93 2HD LYS 93 19.185 -2.752 7.734 749 HD3 LYS 93 3HD LYS 93 20.623 -2.401 6.773 750 HE2 LYS 93 2HE LYS 93 20.278 -5.004 6.176 751 HE3 LYS 93 3HE LYS 93 18.603 -4.534 6.470 752 HZ1 LYS 93 3HZ LYS 93 20.384 -3.790 4.307 753 HZ2 LYS 93 1HZ LYS 93 19.442 -2.527 4.924 754 HZ3 LYS 93 2HZ LYS 93 18.697 -3.922 4.325 755 H GLN 94 HN GLN 94 22.874 -4.981 10.169 756 HA GLN 94 HA GLN 94 23.056 -4.541 13.005 757 HB2 GLN 94 2HB GLN 94 24.761 -6.275 13.417 758 HB3 GLN 94 3HB GLN 94 23.203 -6.967 12.987 759 HG2 GLN 94 2HG GLN 94 24.075 -7.160 10.629 760 HG3 GLN 94 3HG GLN 94 25.662 -6.749 11.278 761 HE21 GLN 94 1HE2 GLN 94 23.301 -9.182 10.863 762 HE22 GLN 94 2HE2 GLN 94 24.154 -10.468 11.641 763 H HIS 95 HN HIS 95 23.552 -3.059 10.571 764 HA HIS 95 HA HIS 95 25.063 -1.594 9.709 765 HB2 HIS 95 2HB HIS 95 26.154 -2.135 12.438 766 HB3 HIS 95 3HB HIS 95 27.139 -1.220 11.301 767 HD1 HIS 95 1HD HIS 95 26.628 1.215 11.084 768 HD2 HIS 95 2HD HIS 95 23.581 -0.874 12.984 769 HE1 HIS 95 1HE HIS 95 25.015 2.967 11.891 770 HE2 HIS 95 2HE HIS 95 23.135 1.674 12.959 Start of MODEL 18 1 H1 MET 1 1H MET 1 5.742 -13.027 -6.134 2 H2 MET 1 2H MET 1 6.713 -11.724 -6.686 3 H3 MET 1 3H MET 1 5.391 -12.273 -7.633 4 HA MET 1 HA MET 1 5.081 -11.202 -4.919 5 HB2 MET 1 2HB MET 1 5.144 -9.804 -7.592 6 HB3 MET 1 3HB MET 1 4.363 -9.105 -6.181 7 HG2 MET 1 2HG MET 1 6.305 -8.528 -5.231 8 HG3 MET 1 3HG MET 1 7.108 -10.017 -5.724 9 HE1 MET 1 2HE MET 1 6.594 -6.287 -8.379 10 HE2 MET 1 3HE MET 1 5.299 -7.480 -8.267 11 HE3 MET 1 1HE MET 1 5.794 -6.575 -6.835 12 H GLN 2 HN GLN 2 3.304 -12.374 -4.379 13 HA GLN 2 HA GLN 2 1.076 -12.458 -6.296 14 HB2 GLN 2 2HB GLN 2 1.442 -14.121 -3.800 15 HB3 GLN 2 3HB GLN 2 0.218 -14.340 -5.041 16 HG2 GLN 2 2HG GLN 2 1.740 -15.186 -6.574 17 HG3 GLN 2 3HG GLN 2 3.125 -14.500 -5.724 18 HE21 GLN 2 1HE2 GLN 2 4.014 -15.592 -4.014 19 HE22 GLN 2 2HE2 GLN 2 3.582 -17.212 -3.600 20 H LEU 3 HN LEU 3 0.260 -10.395 -5.891 21 HA LEU 3 HA LEU 3 -0.988 -10.070 -3.241 22 HB2 LEU 3 2HB LEU 3 -0.651 -7.720 -3.326 23 HB3 LEU 3 3HB LEU 3 0.889 -8.481 -3.673 24 HG LEU 3 HG LEU 3 -0.926 -7.478 -5.857 25 HD11 LEU 3 1HD1 LEU 3 0.935 -5.593 -5.800 26 HD12 LEU 3 2HD1 LEU 3 -0.557 -5.463 -4.870 27 HD13 LEU 3 3HD1 LEU 3 0.931 -5.992 -4.083 28 HD21 LEU 3 3HD2 LEU 3 0.604 -8.739 -6.955 29 HD22 LEU 3 1HD2 LEU 3 1.567 -7.271 -6.798 30 HD23 LEU 3 2HD2 LEU 3 1.803 -8.604 -5.667 31 H ASN 4 HN ASN 4 -3.072 -9.187 -3.175 32 HA ASN 4 HA ASN 4 -4.422 -8.730 -5.730 33 HB2 ASN 4 2HB ASN 4 -5.134 -10.836 -3.709 34 HB3 ASN 4 3HB ASN 4 -6.375 -10.125 -4.737 35 HD21 ASN 4 1HD2 ASN 4 -3.538 -12.118 -4.624 36 HD22 ASN 4 2HD2 ASN 4 -3.685 -12.773 -6.215 37 H ILE 5 HN ILE 5 -6.518 -7.682 -5.494 38 HA ILE 5 HA ILE 5 -6.767 -6.199 -2.957 39 HB ILE 5 HB ILE 5 -7.439 -5.063 -5.667 40 HG12 ILE 5 2HG1 ILE 5 -4.952 -4.586 -4.010 41 HG13 ILE 5 3HG1 ILE 5 -5.012 -5.525 -5.499 42 HG21 ILE 5 1HG2 ILE 5 -7.432 -2.926 -4.448 43 HG22 ILE 5 2HG2 ILE 5 -8.634 -4.053 -3.820 44 HG23 ILE 5 3HG2 ILE 5 -7.123 -3.802 -2.948 45 HD11 ILE 5 3HD1 ILE 5 -6.064 -3.243 -6.394 46 HD12 ILE 5 1HD1 ILE 5 -5.062 -2.605 -5.090 47 HD13 ILE 5 2HD1 ILE 5 -4.330 -3.564 -6.377 48 H THR 6 HN THR 6 -8.905 -5.539 -2.366 49 HA THR 6 HA THR 6 -11.099 -6.781 -3.847 50 HB THR 6 HB THR 6 -10.696 -7.096 -0.867 51 HG1 THR 6 1HG THR 6 -10.121 -9.139 -1.280 52 HG21 THR 6 3HG2 THR 6 -12.985 -7.160 -1.095 53 HG22 THR 6 1HG2 THR 6 -12.540 -8.857 -1.271 54 HG23 THR 6 2HG2 THR 6 -12.910 -7.891 -2.699 55 H GLY 7 HN GLY 7 -12.619 -5.299 -4.200 56 HA2 GLY 7 2HA GLY 7 -12.698 -2.952 -2.425 57 HA3 GLY 7 3HA GLY 7 -13.255 -2.982 -4.090 58 H ASN 8 HN ASN 8 -14.319 -2.679 -1.074 59 HA ASN 8 HA ASN 8 -16.721 -4.319 -1.372 60 HB2 ASN 8 2HB ASN 8 -17.215 -3.166 0.947 61 HB3 ASN 8 3HB ASN 8 -16.078 -4.503 0.844 62 HD21 ASN 8 1HD2 ASN 8 -15.426 -3.498 2.923 63 HD22 ASN 8 2HD2 ASN 8 -14.226 -2.257 2.871 64 H ASN 9 HN ASN 9 -18.364 -3.495 -2.452 65 HA ASN 9 HA ASN 9 -20.096 -2.045 -2.932 66 HB2 ASN 9 2HB ASN 9 -19.449 -0.858 -0.715 67 HB3 ASN 9 3HB ASN 9 -18.586 0.274 -1.752 68 HD21 ASN 9 1HD2 ASN 9 -19.849 1.313 -3.461 69 HD22 ASN 9 2HD2 ASN 9 -21.504 1.693 -3.149 70 H VAL 10 HN VAL 10 -16.800 -0.799 -3.234 71 HA VAL 10 HA VAL 10 -17.437 0.421 -5.802 72 HB VAL 10 HB VAL 10 -16.107 1.686 -4.148 73 HG11 VAL 10 1HG1 VAL 10 -13.665 0.136 -4.650 74 HG12 VAL 10 2HG1 VAL 10 -14.229 0.935 -3.181 75 HG13 VAL 10 3HG1 VAL 10 -14.862 -0.651 -3.622 76 HG21 VAL 10 3HG2 VAL 10 -14.321 1.088 -6.479 77 HG22 VAL 10 1HG2 VAL 10 -15.867 1.910 -6.694 78 HG23 VAL 10 2HG2 VAL 10 -14.620 2.628 -5.675 79 H GLU 11 HN GLU 11 -15.692 0.132 -7.552 80 HA GLU 11 HA GLU 11 -15.045 -2.733 -7.740 81 HB2 GLU 11 2HB GLU 11 -15.014 -2.273 -10.241 82 HB3 GLU 11 3HB GLU 11 -16.585 -2.221 -9.454 83 HG2 GLU 11 2HG GLU 11 -15.031 0.298 -9.786 84 HG3 GLU 11 3HG GLU 11 -15.895 -0.381 -11.164 85 H ILE 12 HN ILE 12 -13.036 -3.374 -8.548 86 HA ILE 12 HA ILE 12 -10.876 -1.575 -7.970 87 HB ILE 12 HB ILE 12 -10.772 -4.332 -9.203 88 HG12 ILE 12 2HG1 ILE 12 -11.867 -4.254 -6.966 89 HG13 ILE 12 3HG1 ILE 12 -10.362 -5.167 -6.969 90 HG21 ILE 12 1HG2 ILE 12 -8.480 -3.536 -7.637 91 HG22 ILE 12 2HG2 ILE 12 -8.558 -4.142 -9.290 92 HG23 ILE 12 3HG2 ILE 12 -8.763 -2.421 -8.972 93 HD11 ILE 12 3HD1 ILE 12 -10.738 -3.648 -5.002 94 HD12 ILE 12 1HD1 ILE 12 -9.207 -3.444 -5.852 95 HD13 ILE 12 2HD1 ILE 12 -10.518 -2.295 -6.112 96 H THR 13 HN THR 13 -10.643 0.065 -9.398 97 HA THR 13 HA THR 13 -10.772 -0.483 -12.263 98 HB THR 13 HB THR 13 -10.769 1.911 -12.563 99 HG1 THR 13 1HG THR 13 -10.297 2.081 -9.773 100 HG21 THR 13 3HG2 THR 13 -12.920 0.976 -11.887 101 HG22 THR 13 1HG2 THR 13 -12.703 2.623 -11.293 102 HG23 THR 13 2HG2 THR 13 -12.505 1.255 -10.196 103 H GLU 14 HN GLU 14 -9.062 -0.336 -13.641 104 HA GLU 14 HA GLU 14 -6.583 -1.103 -13.054 105 HB2 GLU 14 2HB GLU 14 -7.172 1.038 -15.100 106 HB3 GLU 14 3HB GLU 14 -5.784 -0.040 -15.094 107 HG2 GLU 14 2HG GLU 14 -7.450 -1.946 -15.239 108 HG3 GLU 14 3HG GLU 14 -8.662 -0.716 -15.600 109 H ALA 15 HN ALA 15 -7.696 2.242 -12.737 110 HA ALA 15 HA ALA 15 -5.147 3.348 -12.170 111 HB1 ALA 15 1HB ALA 15 -7.954 4.261 -12.024 112 HB2 ALA 15 2HB ALA 15 -6.785 5.119 -11.021 113 HB3 ALA 15 3HB ALA 15 -6.547 5.024 -12.765 114 H LEU 16 HN LEU 16 -7.835 2.308 -10.094 115 HA LEU 16 HA LEU 16 -6.653 2.986 -7.643 116 HB2 LEU 16 2HB LEU 16 -9.018 2.530 -7.828 117 HB3 LEU 16 3HB LEU 16 -8.700 0.876 -8.314 118 HG LEU 16 HG LEU 16 -7.481 0.809 -5.947 119 HD11 LEU 16 1HD1 LEU 16 -9.752 2.515 -5.137 120 HD12 LEU 16 2HD1 LEU 16 -8.170 2.294 -4.388 121 HD13 LEU 16 3HD1 LEU 16 -8.339 3.337 -5.802 122 HD21 LEU 16 3HD2 LEU 16 -9.473 -0.507 -6.884 123 HD22 LEU 16 1HD2 LEU 16 -9.336 -0.351 -5.133 124 HD23 LEU 16 2HD2 LEU 16 -10.475 0.660 -6.021 125 H ARG 17 HN ARG 17 -6.668 -0.093 -9.427 126 HA ARG 17 HA ARG 17 -5.137 -1.480 -7.477 127 HB2 ARG 17 2HB ARG 17 -4.957 -3.258 -9.115 128 HB3 ARG 17 3HB ARG 17 -6.601 -2.635 -9.083 129 HG2 ARG 17 2HG ARG 17 -6.370 -2.671 -11.312 130 HG3 ARG 17 3HG ARG 17 -5.569 -1.123 -11.053 131 HD2 ARG 17 2HD ARG 17 -3.402 -2.219 -11.040 132 HD3 ARG 17 3HD ARG 17 -4.176 -3.794 -11.198 133 HE ARG 17 HE ARG 17 -4.823 -1.960 -13.317 134 HH11 ARG 17 2HH1 ARG 17 -2.555 -4.368 -12.202 135 HH12 ARG 17 1HH1 ARG 17 -1.997 -4.759 -13.793 136 HH21 ARG 17 2HH2 ARG 17 -4.093 -2.477 -15.411 137 HH22 ARG 17 1HH2 ARG 17 -2.870 -3.686 -15.615 138 H GLU 18 HN GLU 18 -4.270 0.100 -10.544 139 HA GLU 18 HA GLU 18 -1.557 -0.646 -10.504 140 HB2 GLU 18 2HB GLU 18 -1.225 0.928 -12.246 141 HB3 GLU 18 3HB GLU 18 -2.845 0.289 -12.471 142 HG2 GLU 18 2HG GLU 18 -3.744 2.299 -11.349 143 HG3 GLU 18 3HG GLU 18 -2.108 2.946 -11.272 144 H PHE 19 HN PHE 19 -3.181 2.312 -9.366 145 HA PHE 19 HA PHE 19 -0.951 3.729 -8.536 146 HB2 PHE 19 2HB PHE 19 -3.297 4.593 -8.607 147 HB3 PHE 19 3HB PHE 19 -3.633 3.684 -7.137 148 HD1 PHE 19 2HD PHE 19 -1.775 6.514 -8.561 149 HD2 PHE 19 1HD PHE 19 -2.869 4.443 -5.008 150 HE1 PHE 19 2HE PHE 19 -0.972 8.410 -7.214 151 HE2 PHE 19 1HE PHE 19 -2.070 6.335 -3.655 152 HZ PHE 19 HZ PHE 19 -1.118 8.322 -4.757 153 H VAL 20 HN VAL 20 -2.896 1.393 -6.685 154 HA VAL 20 HA VAL 20 -1.468 1.592 -4.278 155 HB VAL 20 HB VAL 20 -2.857 -0.873 -5.341 156 HG11 VAL 20 1HG1 VAL 20 -2.897 -0.252 -2.470 157 HG12 VAL 20 2HG1 VAL 20 -2.659 -1.792 -3.297 158 HG13 VAL 20 3HG1 VAL 20 -1.311 -0.667 -3.123 159 HG21 VAL 20 3HG2 VAL 20 -4.044 1.547 -5.060 160 HG22 VAL 20 1HG2 VAL 20 -4.872 0.004 -4.856 161 HG23 VAL 20 2HG2 VAL 20 -4.270 0.874 -3.445 162 H THR 21 HN THR 21 -1.100 -0.653 -7.010 163 HA THR 21 HA THR 21 1.090 -2.073 -5.922 164 HB THR 21 HB THR 21 0.577 -1.704 -8.870 165 HG1 THR 21 1HG THR 21 -0.900 -3.449 -8.650 166 HG21 THR 21 3HG2 THR 21 2.416 -3.069 -8.700 167 HG22 THR 21 1HG2 THR 21 1.096 -4.240 -8.732 168 HG23 THR 21 2HG2 THR 21 1.860 -3.812 -7.200 169 H ALA 22 HN ALA 22 0.818 0.850 -7.832 170 HA ALA 22 HA ALA 22 3.451 1.153 -8.681 171 HB1 ALA 22 1HB ALA 22 1.525 3.323 -7.854 172 HB2 ALA 22 2HB ALA 22 2.964 3.538 -8.850 173 HB3 ALA 22 3HB ALA 22 1.613 2.576 -9.449 174 H LYS 23 HN LYS 23 1.926 2.113 -5.629 175 HA LYS 23 HA LYS 23 4.192 3.388 -4.525 176 HB2 LYS 23 2HB LYS 23 1.722 2.162 -3.316 177 HB3 LYS 23 3HB LYS 23 2.992 2.847 -2.314 178 HG2 LYS 23 2HG LYS 23 1.490 4.350 -4.445 179 HG3 LYS 23 3HG LYS 23 1.125 4.399 -2.721 180 HD2 LYS 23 2HD LYS 23 2.803 5.819 -2.293 181 HD3 LYS 23 3HD LYS 23 3.929 4.938 -3.325 182 HE2 LYS 23 2HE LYS 23 2.508 5.988 -5.257 183 HE3 LYS 23 3HE LYS 23 2.049 7.153 -4.016 184 HZ1 LYS 23 3HZ LYS 23 4.706 7.070 -3.715 185 HZ2 LYS 23 1HZ LYS 23 3.901 8.194 -4.689 186 HZ3 LYS 23 2HZ LYS 23 4.578 6.805 -5.380 187 H PHE 24 HN PHE 24 2.853 0.127 -4.037 188 HA PHE 24 HA PHE 24 4.711 -0.889 -2.283 189 HB2 PHE 24 2HB PHE 24 2.913 -2.049 -4.323 190 HB3 PHE 24 3HB PHE 24 4.245 -3.079 -3.809 191 HD1 PHE 24 1HD PHE 24 1.329 -1.153 -2.594 192 HD2 PHE 24 2HD PHE 24 4.193 -4.184 -1.741 193 HE1 PHE 24 1HE PHE 24 0.060 -1.779 -0.581 194 HE2 PHE 24 2HE PHE 24 2.927 -4.816 0.274 195 HZ PHE 24 HZ PHE 24 0.860 -3.614 0.855 196 H ALA 25 HN ALA 25 4.936 -0.667 -5.810 197 HA ALA 25 HA ALA 25 7.264 -2.092 -6.249 198 HB1 ALA 25 1HB ALA 25 7.557 -0.146 -8.073 199 HB2 ALA 25 2HB ALA 25 6.396 -1.464 -8.240 200 HB3 ALA 25 3HB ALA 25 5.867 0.107 -7.637 201 H LYS 26 HN LYS 26 6.952 1.377 -5.495 202 HA LYS 26 HA LYS 26 9.689 1.968 -5.467 203 HB2 LYS 26 2HB LYS 26 7.690 3.576 -5.421 204 HB3 LYS 26 3HB LYS 26 7.665 3.308 -3.685 205 HG2 LYS 26 2HG LYS 26 10.210 4.138 -4.993 206 HG3 LYS 26 3HG LYS 26 8.950 5.339 -4.696 207 HD2 LYS 26 2HD LYS 26 9.456 3.624 -2.393 208 HD3 LYS 26 3HD LYS 26 10.881 4.531 -2.900 209 HE2 LYS 26 2HE LYS 26 9.925 6.560 -2.435 210 HE3 LYS 26 3HE LYS 26 8.286 5.970 -2.706 211 HZ1 LYS 26 3HZ LYS 26 8.241 6.087 -0.464 212 HZ2 LYS 26 1HZ LYS 26 9.912 5.888 -0.291 213 HZ3 LYS 26 2HZ LYS 26 8.927 4.545 -0.581 214 H LEU 27 HN LEU 27 7.622 0.463 -3.107 215 HA LEU 27 HA LEU 27 9.527 0.718 -0.950 216 HB2 LEU 27 2HB LEU 27 6.836 -0.527 -1.289 217 HB3 LEU 27 3HB LEU 27 7.840 -1.044 0.051 218 HG LEU 27 HG LEU 27 7.908 1.207 0.937 219 HD11 LEU 27 1HD1 LEU 27 6.807 1.867 -1.711 220 HD12 LEU 27 2HD1 LEU 27 6.113 2.751 -0.351 221 HD13 LEU 27 3HD1 LEU 27 7.852 2.807 -0.645 222 HD21 LEU 27 3HD2 LEU 27 5.873 1.091 1.903 223 HD22 LEU 27 1HD2 LEU 27 5.025 1.001 0.361 224 HD23 LEU 27 2HD2 LEU 27 5.783 -0.441 1.036 225 H GLU 28 HN GLU 28 8.868 -1.479 -3.502 226 HA GLU 28 HA GLU 28 9.927 -3.848 -2.391 227 HB2 GLU 28 2HB GLU 28 9.552 -2.925 -5.236 228 HB3 GLU 28 3HB GLU 28 10.188 -4.513 -4.831 229 HG2 GLU 28 2HG GLU 28 8.018 -4.664 -3.371 230 HG3 GLU 28 3HG GLU 28 7.444 -3.422 -4.481 231 H GLN 29 HN GLN 29 11.473 -0.974 -3.298 232 HA GLN 29 HA GLN 29 13.900 -2.023 -4.321 233 HB2 GLN 29 2HB GLN 29 13.074 0.353 -4.555 234 HB3 GLN 29 3HB GLN 29 13.533 0.602 -2.876 235 HG2 GLN 29 2HG GLN 29 15.493 1.259 -3.694 236 HG3 GLN 29 3HG GLN 29 15.813 -0.458 -3.939 237 HE21 GLN 29 1HE2 GLN 29 17.239 0.896 -5.534 238 HE22 GLN 29 2HE2 GLN 29 16.595 1.024 -7.132 239 H TYR 30 HN TYR 30 12.893 -0.985 -1.069 240 HA TYR 30 HA TYR 30 15.352 -2.196 -0.012 241 HB2 TYR 30 2HB TYR 30 14.674 -0.886 2.108 242 HB3 TYR 30 3HB TYR 30 15.347 0.002 0.747 243 HD1 TYR 30 1HD TYR 30 11.857 -1.246 0.984 244 HD2 TYR 30 2HD TYR 30 14.434 2.133 1.192 245 HE1 TYR 30 1HE TYR 30 9.900 0.238 1.008 246 HE2 TYR 30 2HE TYR 30 12.481 3.626 1.210 247 HH TYR 30 HH TYR 30 10.118 3.559 1.758 248 H PHE 31 HN PHE 31 12.272 -3.095 -0.536 249 HA PHE 31 HA PHE 31 12.091 -4.611 1.984 250 HB2 PHE 31 2HB PHE 31 9.932 -3.764 0.046 251 HB3 PHE 31 3HB PHE 31 9.665 -4.913 1.350 252 HD1 PHE 31 1HD PHE 31 11.897 -2.903 2.870 253 HD2 PHE 31 2HD PHE 31 7.949 -2.680 1.292 254 HE1 PHE 31 1HE PHE 31 11.395 -1.040 4.392 255 HE2 PHE 31 2HE PHE 31 7.444 -0.815 2.813 256 HZ PHE 31 HZ PHE 31 9.168 0.008 4.366 257 H ASP 32 HN ASP 32 12.641 -6.669 1.843 258 HA ASP 32 HA ASP 32 12.403 -8.024 -0.758 259 HB2 ASP 32 2HB ASP 32 14.668 -7.775 0.547 260 HB3 ASP 32 3HB ASP 32 14.040 -9.116 1.501 261 H ARG 33 HN ARG 33 11.549 -8.169 2.624 262 HA ARG 33 HA ARG 33 10.480 -10.832 2.500 263 HB2 ARG 33 2HB ARG 33 9.833 -8.785 4.610 264 HB3 ARG 33 3HB ARG 33 9.858 -10.537 4.762 265 HG2 ARG 33 2HG ARG 33 12.234 -8.718 4.444 266 HG3 ARG 33 3HG ARG 33 11.763 -9.613 5.888 267 HD2 ARG 33 2HD ARG 33 12.869 -11.409 5.192 268 HD3 ARG 33 3HD ARG 33 11.985 -11.410 3.667 269 HE ARG 33 HE ARG 33 14.117 -9.485 3.771 270 HH11 ARG 33 2HH1 ARG 33 13.282 -12.796 3.052 271 HH12 ARG 33 1HH1 ARG 33 14.628 -13.036 1.991 272 HH21 ARG 33 2HH2 ARG 33 15.889 -9.799 2.375 273 HH22 ARG 33 1HH2 ARG 33 16.109 -11.335 1.606 274 H ILE 34 HN ILE 34 9.121 -10.459 0.597 275 HA ILE 34 HA ILE 34 6.444 -9.625 1.416 276 HB ILE 34 HB ILE 34 7.617 -8.688 -1.201 277 HG12 ILE 34 2HG1 ILE 34 7.150 -7.092 1.329 278 HG13 ILE 34 3HG1 ILE 34 8.727 -7.575 0.712 279 HG21 ILE 34 1HG2 ILE 34 5.248 -7.410 0.005 280 HG22 ILE 34 2HG2 ILE 34 5.596 -7.803 -1.679 281 HG23 ILE 34 3HG2 ILE 34 5.028 -9.059 -0.580 282 HD11 ILE 34 3HD1 ILE 34 7.158 -5.288 0.059 283 HD12 ILE 34 1HD1 ILE 34 8.796 -5.699 -0.449 284 HD13 ILE 34 2HD1 ILE 34 7.414 -6.256 -1.392 285 H ASN 35 HN ASN 35 5.225 -11.364 1.079 286 HA ASN 35 HA ASN 35 5.715 -12.961 -1.349 287 HB2 ASN 35 2HB ASN 35 4.520 -14.802 0.082 288 HB3 ASN 35 3HB ASN 35 6.231 -14.472 0.327 289 HD21 ASN 35 1HD2 ASN 35 6.736 -12.891 2.059 290 HD22 ASN 35 2HD2 ASN 35 5.776 -12.941 3.495 291 H GLN 36 HN GLN 36 3.098 -12.428 1.032 292 HA GLN 36 HA GLN 36 1.255 -12.104 -1.242 293 HB2 GLN 36 2HB GLN 36 1.080 -14.324 0.006 294 HB3 GLN 36 3HB GLN 36 0.469 -13.392 1.365 295 HG2 GLN 36 2HG GLN 36 -1.553 -13.617 0.497 296 HG3 GLN 36 3HG GLN 36 -1.044 -12.544 -0.806 297 HE21 GLN 36 1HE2 GLN 36 -0.625 -13.375 -2.807 298 HE22 GLN 36 2HE2 GLN 36 -0.948 -15.015 -3.244 299 H VAL 37 HN VAL 37 0.446 -10.124 -1.268 300 HA VAL 37 HA VAL 37 -0.154 -8.813 1.302 301 HB VAL 37 HB VAL 37 0.703 -7.342 -1.188 302 HG11 VAL 37 1HG1 VAL 37 -0.227 -5.686 0.019 303 HG12 VAL 37 2HG1 VAL 37 -0.137 -6.593 1.529 304 HG13 VAL 37 3HG1 VAL 37 1.287 -5.747 0.920 305 HG21 VAL 37 3HG2 VAL 37 2.897 -7.066 -0.154 306 HG22 VAL 37 1HG2 VAL 37 2.405 -8.100 1.186 307 HG23 VAL 37 2HG2 VAL 37 2.543 -8.770 -0.439 308 H TYR 38 HN TYR 38 -2.153 -7.957 1.506 309 HA TYR 38 HA TYR 38 -3.794 -7.688 -0.914 310 HB2 TYR 38 2HB TYR 38 -5.730 -8.453 0.701 311 HB3 TYR 38 3HB TYR 38 -4.746 -9.638 -0.148 312 HD1 TYR 38 1HD TYR 38 -2.628 -10.482 1.177 313 HD2 TYR 38 2HD TYR 38 -6.039 -8.685 2.979 314 HE1 TYR 38 1HE TYR 38 -2.045 -11.535 3.319 315 HE2 TYR 38 2HE TYR 38 -5.463 -9.732 5.127 316 HH TYR 38 HH TYR 38 -2.798 -10.710 6.041 317 H VAL 39 HN VAL 39 -5.243 -6.019 -0.940 318 HA VAL 39 HA VAL 39 -5.357 -4.279 1.428 319 HB VAL 39 HB VAL 39 -5.059 -3.169 -1.357 320 HG11 VAL 39 1HG1 VAL 39 -6.064 -1.866 0.641 321 HG12 VAL 39 2HG1 VAL 39 -4.395 -1.775 1.206 322 HG13 VAL 39 3HG1 VAL 39 -4.835 -1.091 -0.358 323 HG21 VAL 39 3HG2 VAL 39 -2.857 -3.430 0.685 324 HG22 VAL 39 1HG2 VAL 39 -3.056 -4.507 -0.698 325 HG23 VAL 39 2HG2 VAL 39 -2.730 -2.793 -0.954 326 H VAL 40 HN VAL 40 -7.250 -3.089 1.681 327 HA VAL 40 HA VAL 40 -9.353 -3.410 -0.330 328 HB VAL 40 HB VAL 40 -9.845 -4.032 2.587 329 HG11 VAL 40 1HG1 VAL 40 -11.608 -3.225 0.645 330 HG12 VAL 40 2HG1 VAL 40 -11.744 -4.982 0.585 331 HG13 VAL 40 3HG1 VAL 40 -12.026 -4.126 2.101 332 HG21 VAL 40 3HG2 VAL 40 -8.627 -5.885 1.951 333 HG22 VAL 40 1HG2 VAL 40 -10.270 -6.385 1.544 334 HG23 VAL 40 2HG2 VAL 40 -9.184 -5.809 0.278 335 H LEU 41 HN LEU 41 -10.634 -1.710 -0.537 336 HA LEU 41 HA LEU 41 -10.508 0.400 1.496 337 HB2 LEU 41 2HB LEU 41 -10.673 1.947 -0.629 338 HB3 LEU 41 3HB LEU 41 -9.130 1.393 -0.013 339 HG LEU 41 HG LEU 41 -9.265 1.254 -2.461 340 HD11 LEU 41 1HD1 LEU 41 -8.285 -0.642 -0.731 341 HD12 LEU 41 2HD1 LEU 41 -9.177 -1.585 -1.925 342 HD13 LEU 41 3HD1 LEU 41 -7.899 -0.486 -2.444 343 HD21 LEU 41 3HD2 LEU 41 -10.769 -0.096 -3.621 344 HD22 LEU 41 1HD2 LEU 41 -11.265 -0.953 -2.163 345 HD23 LEU 41 2HD2 LEU 41 -11.762 0.719 -2.416 346 H LYS 42 HN LYS 42 -12.407 1.161 2.114 347 HA LYS 42 HA LYS 42 -14.784 0.413 0.565 348 HB2 LYS 42 2HB LYS 42 -14.853 -0.376 2.836 349 HB3 LYS 42 3HB LYS 42 -14.444 1.218 3.456 350 HG2 LYS 42 2HG LYS 42 -16.601 2.058 2.555 351 HG3 LYS 42 3HG LYS 42 -17.009 0.400 2.111 352 HD2 LYS 42 2HD LYS 42 -18.046 0.787 4.198 353 HD3 LYS 42 3HD LYS 42 -16.626 -0.204 4.540 354 HE2 LYS 42 2HE LYS 42 -15.498 2.167 4.851 355 HE3 LYS 42 3HE LYS 42 -17.160 2.652 5.182 356 HZ1 LYS 42 3HZ LYS 42 -16.253 0.256 6.547 357 HZ2 LYS 42 1HZ LYS 42 -17.187 1.544 7.123 358 HZ3 LYS 42 2HZ LYS 42 -15.505 1.693 7.031 359 H VAL 43 HN VAL 43 -16.148 1.897 -0.262 360 HA VAL 43 HA VAL 43 -15.460 4.733 0.168 361 HB VAL 43 HB VAL 43 -16.702 3.578 -2.330 362 HG11 VAL 43 1HG1 VAL 43 -15.781 6.291 -1.487 363 HG12 VAL 43 2HG1 VAL 43 -15.725 5.835 -3.190 364 HG13 VAL 43 3HG1 VAL 43 -17.259 5.816 -2.321 365 HG21 VAL 43 3HG2 VAL 43 -14.364 2.760 -1.874 366 HG22 VAL 43 1HG2 VAL 43 -14.573 3.647 -3.384 367 HG23 VAL 43 2HG2 VAL 43 -13.836 4.439 -1.992 368 H GLU 44 HN GLU 44 -16.948 5.623 1.439 369 HA GLU 44 HA GLU 44 -19.777 5.135 0.812 370 HB2 GLU 44 2HB GLU 44 -20.196 5.438 3.312 371 HB3 GLU 44 3HB GLU 44 -19.498 3.908 2.801 372 HG2 GLU 44 2HG GLU 44 -17.322 4.586 3.529 373 HG3 GLU 44 3HG GLU 44 -17.898 6.217 3.871 374 H LYS 45 HN LYS 45 -21.197 6.881 1.265 375 HA LYS 45 HA LYS 45 -20.323 9.376 0.492 376 HB2 LYS 45 2HB LYS 45 -22.679 8.625 0.482 377 HB3 LYS 45 3HB LYS 45 -22.718 8.781 2.232 378 HG2 LYS 45 2HG LYS 45 -21.840 11.186 0.795 379 HG3 LYS 45 3HG LYS 45 -23.510 10.699 0.500 380 HD2 LYS 45 2HD LYS 45 -23.410 10.429 3.177 381 HD3 LYS 45 3HD LYS 45 -22.233 11.727 2.957 382 HE2 LYS 45 2HE LYS 45 -23.805 13.221 2.349 383 HE3 LYS 45 3HE LYS 45 -24.725 12.030 1.429 384 HZ1 LYS 45 3HZ LYS 45 -24.709 12.041 4.388 385 HZ2 LYS 45 1HZ LYS 45 -25.812 11.293 3.345 386 HZ3 LYS 45 2HZ LYS 45 -25.804 12.977 3.500 387 H VAL 46 HN VAL 46 -20.046 7.935 3.620 388 HA VAL 46 HA VAL 46 -19.752 10.470 4.981 389 HB VAL 46 HB VAL 46 -19.349 7.662 6.013 390 HG11 VAL 46 1HG1 VAL 46 -19.872 9.159 8.196 391 HG12 VAL 46 2HG1 VAL 46 -18.245 8.769 7.640 392 HG13 VAL 46 3HG1 VAL 46 -18.970 10.321 7.224 393 HG21 VAL 46 3HG2 VAL 46 -21.526 7.784 6.916 394 HG22 VAL 46 1HG2 VAL 46 -21.662 9.504 6.550 395 HG23 VAL 46 2HG2 VAL 46 -21.666 8.320 5.242 396 H THR 47 HN THR 47 -17.576 7.717 5.460 397 HA THR 47 HA THR 47 -15.326 9.432 4.650 398 HB THR 47 HB THR 47 -15.403 7.640 7.084 399 HG1 THR 47 1HG THR 47 -16.562 9.721 7.148 400 HG21 THR 47 3HG2 THR 47 -13.162 7.816 6.077 401 HG22 THR 47 1HG2 THR 47 -13.267 8.554 7.675 402 HG23 THR 47 2HG2 THR 47 -13.259 9.569 6.233 403 H HIS 48 HN HIS 48 -13.414 8.330 3.972 404 HA HIS 48 HA HIS 48 -14.002 5.716 2.788 405 HB2 HIS 48 2HB HIS 48 -11.715 7.627 2.253 406 HB3 HIS 48 3HB HIS 48 -12.036 6.137 1.371 407 HD1 HIS 48 1HD HIS 48 -12.657 6.999 -0.889 408 HD2 HIS 48 2HD HIS 48 -14.701 8.946 2.161 409 HE1 HIS 48 1HE HIS 48 -14.343 8.466 -2.040 410 HE2 HIS 48 2HE HIS 48 -15.509 9.698 -0.178 411 H THR 49 HN THR 49 -12.970 3.883 3.371 412 HA THR 49 HA THR 49 -10.774 4.127 5.324 413 HB THR 49 HB THR 49 -12.848 1.933 5.303 414 HG1 THR 49 1HG THR 49 -14.061 3.143 6.501 415 HG21 THR 49 3HG2 THR 49 -11.991 1.966 7.803 416 HG22 THR 49 1HG2 THR 49 -10.528 2.570 7.025 417 HG23 THR 49 2HG2 THR 49 -11.199 1.010 6.550 418 H SER 50 HN SER 50 -9.049 2.773 5.119 419 HA SER 50 HA SER 50 -9.108 0.744 3.001 420 HB2 SER 50 2HB SER 50 -7.154 1.536 1.933 421 HB3 SER 50 3HB SER 50 -8.134 2.979 2.194 422 HG SER 50 HG SER 50 -6.480 3.728 3.233 423 H ASP 51 HN ASP 51 -7.672 -0.978 3.284 424 HA ASP 51 HA ASP 51 -6.143 -0.994 5.795 425 HB2 ASP 51 2HB ASP 51 -6.860 -3.338 6.176 426 HB3 ASP 51 3HB ASP 51 -8.204 -2.202 6.233 427 H ALA 52 HN ALA 52 -4.285 -2.308 5.812 428 HA ALA 52 HA ALA 52 -3.546 -3.609 3.297 429 HB1 ALA 52 1HB ALA 52 -2.664 -1.371 3.067 430 HB2 ALA 52 2HB ALA 52 -1.872 -1.489 4.638 431 HB3 ALA 52 3HB ALA 52 -1.339 -2.510 3.302 432 H THR 53 HN THR 53 -3.152 -5.617 3.902 433 HA THR 53 HA THR 53 -1.683 -6.097 6.410 434 HB THR 53 HB THR 53 -3.122 -8.261 4.924 435 HG1 THR 53 1HG THR 53 -4.297 -6.255 6.530 436 HG21 THR 53 3HG2 THR 53 -2.549 -7.737 7.824 437 HG22 THR 53 1HG2 THR 53 -1.910 -9.031 6.809 438 HG23 THR 53 2HG2 THR 53 -3.619 -9.016 7.250 439 H LEU 54 HN LEU 54 0.432 -6.322 6.036 440 HA LEU 54 HA LEU 54 1.322 -7.617 3.567 441 HB2 LEU 54 2HB LEU 54 2.633 -5.831 5.580 442 HB3 LEU 54 3HB LEU 54 3.616 -6.834 4.529 443 HG LEU 54 HG LEU 54 2.395 -5.756 2.578 444 HD11 LEU 54 1HD1 LEU 54 1.270 -4.232 4.861 445 HD12 LEU 54 2HD1 LEU 54 1.659 -3.344 3.389 446 HD13 LEU 54 3HD1 LEU 54 0.528 -4.695 3.329 447 HD21 LEU 54 3HD2 LEU 54 4.143 -4.091 4.381 448 HD22 LEU 54 1HD2 LEU 54 4.673 -5.180 3.099 449 HD23 LEU 54 2HD2 LEU 54 3.785 -3.710 2.698 450 H HIS 55 HN HIS 55 2.686 -9.385 3.545 451 HA HIS 55 HA HIS 55 2.638 -10.998 5.992 452 HB2 HIS 55 2HB HIS 55 2.798 -11.635 3.076 453 HB3 HIS 55 3HB HIS 55 3.487 -12.776 4.226 454 HD1 HIS 55 1HD HIS 55 1.879 -14.588 4.659 455 HD2 HIS 55 2HD HIS 55 -0.030 -10.929 4.185 456 HE1 HIS 55 1HE HIS 55 -0.568 -15.060 4.993 457 HE2 HIS 55 2HE HIS 55 -1.691 -12.812 4.806 458 H VAL 56 HN VAL 56 4.417 -11.347 7.142 459 HA VAL 56 HA VAL 56 6.997 -10.512 6.009 460 HB VAL 56 HB VAL 56 6.574 -11.094 8.924 461 HG11 VAL 56 1HG1 VAL 56 8.789 -10.683 8.690 462 HG12 VAL 56 2HG1 VAL 56 8.568 -9.710 7.235 463 HG13 VAL 56 3HG1 VAL 56 8.243 -9.010 8.822 464 HG21 VAL 56 3HG2 VAL 56 5.974 -8.458 7.582 465 HG22 VAL 56 1HG2 VAL 56 4.772 -9.556 8.263 466 HG23 VAL 56 2HG2 VAL 56 5.952 -8.777 9.316 467 H ASN 57 HN ASN 57 8.919 -11.777 6.819 468 HA ASN 57 HA ASN 57 8.917 -14.358 5.920 469 HB2 ASN 57 2HB ASN 57 10.675 -12.880 7.837 470 HB3 ASN 57 3HB ASN 57 10.925 -14.610 7.611 471 HD21 ASN 57 1HD2 ASN 57 12.944 -14.260 6.690 472 HD22 ASN 57 2HD2 ASN 57 13.125 -13.651 5.084 473 H GLY 58 HN GLY 58 9.098 -13.596 9.408 474 HA2 GLY 58 2HA GLY 58 7.622 -16.108 9.901 475 HA3 GLY 58 3HA GLY 58 8.847 -15.462 10.982 476 H GLY 59 HN GLY 59 6.523 -13.366 9.456 477 HA2 GLY 59 2HA GLY 59 4.672 -13.408 11.664 478 HA3 GLY 59 3HA GLY 59 5.716 -11.993 11.660 479 H GLU 60 HN GLU 60 3.119 -11.480 11.500 480 HA GLU 60 HA GLU 60 2.802 -10.591 8.726 481 HB2 GLU 60 2HB GLU 60 0.656 -11.942 10.369 482 HB3 GLU 60 3HB GLU 60 0.375 -11.129 8.834 483 HG2 GLU 60 2HG GLU 60 1.138 -12.854 7.643 484 HG3 GLU 60 3HG GLU 60 2.493 -13.137 8.734 485 H ILE 61 HN ILE 61 2.419 -8.486 8.621 486 HA ILE 61 HA ILE 61 1.519 -7.094 11.047 487 HB ILE 61 HB ILE 61 2.736 -5.869 8.570 488 HG12 ILE 61 2HG1 ILE 61 4.257 -6.147 11.122 489 HG13 ILE 61 3HG1 ILE 61 4.123 -7.561 10.081 490 HG21 ILE 61 1HG2 ILE 61 3.276 -4.155 10.560 491 HG22 ILE 61 2HG2 ILE 61 1.818 -4.065 9.571 492 HG23 ILE 61 3HG2 ILE 61 1.762 -4.836 11.157 493 HD11 ILE 61 3HD1 ILE 61 6.043 -6.677 9.268 494 HD12 ILE 61 1HD1 ILE 61 4.890 -5.820 8.244 495 HD13 ILE 61 2HD1 ILE 61 5.579 -5.020 9.657 496 H HIS 62 HN HIS 62 -0.306 -5.825 11.059 497 HA HIS 62 HA HIS 62 -1.807 -5.598 8.547 498 HB2 HIS 62 2HB HIS 62 -2.637 -7.501 10.012 499 HB3 HIS 62 3HB HIS 62 -3.124 -6.274 11.177 500 HD1 HIS 62 1HD HIS 62 -5.043 -8.246 9.539 501 HD2 HIS 62 2HD HIS 62 -4.354 -4.223 8.757 502 HE1 HIS 62 1HE HIS 62 -7.060 -7.455 8.260 503 HE2 HIS 62 2HE HIS 62 -6.591 -5.033 7.743 504 H ALA 63 HN ALA 63 -1.980 -3.493 8.152 505 HA ALA 63 HA ALA 63 -2.609 -1.697 10.406 506 HB1 ALA 63 1HB ALA 63 -0.727 -1.353 8.117 507 HB2 ALA 63 2HB ALA 63 -1.520 0.062 8.808 508 HB3 ALA 63 3HB ALA 63 -0.506 -0.964 9.823 509 H SER 64 HN SER 64 -4.030 0.088 9.936 510 HA SER 64 HA SER 64 -5.462 -0.050 7.394 511 HB2 SER 64 2HB SER 64 -7.631 -0.106 8.453 512 HB3 SER 64 3HB SER 64 -6.686 -1.464 9.065 513 HG SER 64 HG SER 64 -7.541 -0.542 10.846 514 H ALA 65 HN ALA 65 -5.562 1.928 6.566 515 HA ALA 65 HA ALA 65 -5.585 4.221 8.420 516 HB1 ALA 65 1HB ALA 65 -4.005 5.276 7.225 517 HB2 ALA 65 2HB ALA 65 -3.630 3.660 6.626 518 HB3 ALA 65 3HB ALA 65 -4.663 4.732 5.682 519 H GLU 66 HN GLU 66 -6.603 6.200 7.520 520 HA GLU 66 HA GLU 66 -8.738 5.631 5.588 521 HB2 GLU 66 2HB GLU 66 -10.295 6.980 7.034 522 HB3 GLU 66 3HB GLU 66 -9.847 5.409 7.686 523 HG2 GLU 66 2HG GLU 66 -7.970 7.314 8.626 524 HG3 GLU 66 3HG GLU 66 -9.588 7.970 8.874 525 H GLY 67 HN GLY 67 -9.671 7.557 4.610 526 HA2 GLY 67 2HA GLY 67 -8.259 10.066 4.993 527 HA3 GLY 67 3HA GLY 67 -7.981 9.282 3.445 528 H GLN 68 HN GLN 68 -9.082 11.800 3.579 529 HA GLN 68 HA GLN 68 -11.871 11.931 3.637 530 HB2 GLN 68 2HB GLN 68 -10.414 13.908 3.659 531 HB3 GLN 68 3HB GLN 68 -9.942 13.584 1.997 532 HG2 GLN 68 2HG GLN 68 -11.564 15.319 1.979 533 HG3 GLN 68 3HG GLN 68 -12.320 13.863 1.331 534 HE21 GLN 68 1HE2 GLN 68 -13.921 15.847 2.161 535 HE22 GLN 68 2HE2 GLN 68 -14.709 15.426 3.640 536 H ASP 69 HN ASP 69 -9.815 10.456 1.328 537 HA ASP 69 HA ASP 69 -12.111 9.787 -0.308 538 HB2 ASP 69 2HB ASP 69 -10.837 10.390 -2.416 539 HB3 ASP 69 3HB ASP 69 -11.447 11.751 -1.480 540 H MET 70 HN MET 70 -11.258 8.314 -2.212 541 HA MET 70 HA MET 70 -10.168 6.021 -1.055 542 HB2 MET 70 2HB MET 70 -11.534 6.209 -3.196 543 HB3 MET 70 3HB MET 70 -10.034 6.656 -3.999 544 HG2 MET 70 2HG MET 70 -9.586 4.517 -4.289 545 HG3 MET 70 3HG MET 70 -9.479 4.324 -2.540 546 HE1 MET 70 3HE MET 70 -13.320 4.392 -4.783 547 HE2 MET 70 1HE MET 70 -11.729 4.849 -5.391 548 HE3 MET 70 2HE MET 70 -12.318 3.203 -5.617 549 H TYR 71 HN TYR 71 -8.614 8.249 -3.371 550 HA TYR 71 HA TYR 71 -6.084 7.096 -3.339 551 HB2 TYR 71 2HB TYR 71 -6.897 9.977 -3.761 552 HB3 TYR 71 3HB TYR 71 -5.274 9.364 -4.061 553 HD1 TYR 71 1HD TYR 71 -5.744 6.811 -5.367 554 HD2 TYR 71 2HD TYR 71 -7.824 10.496 -5.822 555 HE1 TYR 71 1HE TYR 71 -6.414 6.147 -7.638 556 HE2 TYR 71 2HE TYR 71 -8.500 9.841 -8.093 557 HH TYR 71 HH TYR 71 -7.115 7.232 -9.745 558 H ALA 72 HN ALA 72 -7.534 9.437 -1.146 559 HA ALA 72 HA ALA 72 -5.209 10.162 0.259 560 HB1 ALA 72 1HB ALA 72 -7.891 10.003 1.580 561 HB2 ALA 72 2HB ALA 72 -6.609 11.194 1.798 562 HB3 ALA 72 3HB ALA 72 -7.574 11.197 0.322 563 H ALA 73 HN ALA 73 -7.653 7.672 0.949 564 HA ALA 73 HA ALA 73 -6.642 6.680 3.320 565 HB1 ALA 73 1HB ALA 73 -8.763 6.050 1.891 566 HB2 ALA 73 2HB ALA 73 -7.717 4.742 1.335 567 HB3 ALA 73 3HB ALA 73 -8.073 4.916 3.054 568 H ILE 74 HN ILE 74 -5.541 6.123 0.043 569 HA ILE 74 HA ILE 74 -3.764 3.975 0.751 570 HB ILE 74 HB ILE 74 -3.804 5.654 -1.762 571 HG12 ILE 74 2HG1 ILE 74 -5.938 4.531 -1.458 572 HG13 ILE 74 3HG1 ILE 74 -5.033 3.732 -2.740 573 HG21 ILE 74 1HG2 ILE 74 -2.189 3.358 -0.867 574 HG22 ILE 74 2HG2 ILE 74 -2.808 3.273 -2.515 575 HG23 ILE 74 3HG2 ILE 74 -1.806 4.636 -2.019 576 HD11 ILE 74 3HD1 ILE 74 -5.222 2.768 0.104 577 HD12 ILE 74 1HD1 ILE 74 -6.170 2.152 -1.250 578 HD13 ILE 74 2HD1 ILE 74 -4.417 1.948 -1.235 579 H ASP 75 HN ASP 75 -3.583 7.444 0.525 580 HA ASP 75 HA ASP 75 -0.766 7.694 0.399 581 HB2 ASP 75 2HB ASP 75 -2.743 9.454 0.098 582 HB3 ASP 75 3HB ASP 75 -2.380 9.779 1.790 583 H GLY 76 HN GLY 76 -3.001 8.050 3.163 584 HA2 GLY 76 2HA GLY 76 -0.919 8.230 5.088 585 HA3 GLY 76 3HA GLY 76 -2.616 7.930 5.428 586 H LEU 77 HN LEU 77 -2.749 5.547 3.766 587 HA LEU 77 HA LEU 77 -1.894 3.650 5.723 588 HB2 LEU 77 2HB LEU 77 -3.949 3.297 4.497 589 HB3 LEU 77 3HB LEU 77 -3.082 3.294 2.974 590 HG LEU 77 HG LEU 77 -1.875 1.229 3.770 591 HD11 LEU 77 1HD1 LEU 77 -4.070 0.879 5.757 592 HD12 LEU 77 2HD1 LEU 77 -2.488 0.102 5.675 593 HD13 LEU 77 3HD1 LEU 77 -2.622 1.777 6.210 594 HD21 LEU 77 3HD2 LEU 77 -4.742 1.445 3.080 595 HD22 LEU 77 1HD2 LEU 77 -3.428 0.625 2.236 596 HD23 LEU 77 2HD2 LEU 77 -4.175 -0.126 3.646 597 H ILE 78 HN ILE 78 -0.704 4.691 2.588 598 HA ILE 78 HA ILE 78 1.269 2.589 2.450 599 HB ILE 78 HB ILE 78 0.147 3.678 0.442 600 HG12 ILE 78 2HG1 ILE 78 2.528 3.819 -0.746 601 HG13 ILE 78 3HG1 ILE 78 3.051 3.109 0.776 602 HG21 ILE 78 1HG2 ILE 78 1.153 6.010 1.555 603 HG22 ILE 78 2HG2 ILE 78 2.189 5.710 0.160 604 HG23 ILE 78 3HG2 ILE 78 0.442 5.827 -0.049 605 HD11 ILE 78 3HD1 ILE 78 1.478 1.269 0.452 606 HD12 ILE 78 1HD1 ILE 78 0.972 1.978 -1.082 607 HD13 ILE 78 2HD1 ILE 78 2.626 1.396 -0.882 608 H ASP 79 HN ASP 79 1.061 5.659 3.915 609 HA ASP 79 HA ASP 79 3.910 6.188 3.865 610 HB2 ASP 79 2HB ASP 79 1.770 7.837 4.076 611 HB3 ASP 79 3HB ASP 79 2.193 7.657 5.775 612 H LYS 80 HN LYS 80 1.456 5.338 6.285 613 HA LYS 80 HA LYS 80 3.311 5.013 8.415 614 HB2 LYS 80 2HB LYS 80 0.950 5.473 8.837 615 HB3 LYS 80 3HB LYS 80 0.497 3.959 8.068 616 HG2 LYS 80 2HG LYS 80 2.157 3.018 9.950 617 HG3 LYS 80 3HG LYS 80 1.574 4.471 10.763 618 HD2 LYS 80 2HD LYS 80 -0.156 2.302 9.573 619 HD3 LYS 80 3HD LYS 80 0.186 2.519 11.291 620 HE2 LYS 80 2HE LYS 80 -0.720 5.006 10.434 621 HE3 LYS 80 3HE LYS 80 -1.762 3.846 9.610 622 HZ1 LYS 80 3HZ LYS 80 -1.258 3.408 12.452 623 HZ2 LYS 80 1HZ LYS 80 -2.663 3.138 11.548 624 HZ3 LYS 80 2HZ LYS 80 -2.262 4.706 12.041 625 H LEU 81 HN LEU 81 1.982 2.898 5.962 626 HA LEU 81 HA LEU 81 2.821 0.447 7.101 627 HB2 LEU 81 2HB LEU 81 1.960 1.334 4.382 628 HB3 LEU 81 3HB LEU 81 2.710 -0.239 4.561 629 HG LEU 81 HG LEU 81 0.092 0.049 4.652 630 HD11 LEU 81 1HD1 LEU 81 0.812 -2.111 4.790 631 HD12 LEU 81 2HD1 LEU 81 1.908 -1.780 6.131 632 HD13 LEU 81 3HD1 LEU 81 0.173 -1.896 6.420 633 HD21 LEU 81 3HD2 LEU 81 -0.854 0.451 6.734 634 HD22 LEU 81 1HD2 LEU 81 0.671 0.206 7.588 635 HD23 LEU 81 2HD2 LEU 81 0.415 1.670 6.641 636 H ALA 82 HN ALA 82 4.268 2.499 4.558 637 HA ALA 82 HA ALA 82 6.525 0.932 4.072 638 HB1 ALA 82 1HB ALA 82 5.766 2.916 2.737 639 HB2 ALA 82 2HB ALA 82 6.486 3.941 3.978 640 HB3 ALA 82 3HB ALA 82 7.500 2.841 3.043 641 H ARG 83 HN ARG 83 6.186 3.693 6.295 642 HA ARG 83 HA ARG 83 8.748 3.673 7.360 643 HB2 ARG 83 2HB ARG 83 6.091 4.520 8.480 644 HB3 ARG 83 3HB ARG 83 7.559 4.644 9.442 645 HG2 ARG 83 2HG ARG 83 7.204 5.916 6.739 646 HG3 ARG 83 3HG ARG 83 6.920 6.739 8.273 647 HD2 ARG 83 2HD ARG 83 9.525 5.527 7.358 648 HD3 ARG 83 3HD ARG 83 9.141 7.247 7.407 649 HE ARG 83 HE ARG 83 8.769 6.150 9.965 650 HH11 ARG 83 2HH1 ARG 83 11.334 6.922 7.729 651 HH12 ARG 83 1HH1 ARG 83 12.511 7.179 8.974 652 HH21 ARG 83 2HH2 ARG 83 10.314 6.488 11.603 653 HH22 ARG 83 1HH2 ARG 83 11.932 6.933 11.173 654 H GLN 84 HN GLN 84 5.981 1.657 8.143 655 HA GLN 84 HA GLN 84 7.157 0.538 10.509 656 HB2 GLN 84 2HB GLN 84 4.751 -0.146 8.840 657 HB3 GLN 84 3HB GLN 84 5.276 -1.192 10.151 658 HG2 GLN 84 2HG GLN 84 4.517 1.709 10.417 659 HG3 GLN 84 3HG GLN 84 3.504 0.331 10.848 660 HE21 GLN 84 1HE2 GLN 84 4.832 -1.290 12.296 661 HE22 GLN 84 2HE2 GLN 84 5.589 -0.554 13.662 662 H LEU 85 HN LEU 85 6.620 -0.621 7.199 663 HA LEU 85 HA LEU 85 7.758 -3.152 7.473 664 HB2 LEU 85 2HB LEU 85 7.328 -1.298 5.175 665 HB3 LEU 85 3HB LEU 85 8.338 -2.709 4.931 666 HG LEU 85 HG LEU 85 5.916 -2.957 4.272 667 HD11 LEU 85 1HD1 LEU 85 6.478 -4.978 6.370 668 HD12 LEU 85 2HD1 LEU 85 5.972 -5.191 4.695 669 HD13 LEU 85 3HD1 LEU 85 7.648 -4.786 5.064 670 HD21 LEU 85 3HD2 LEU 85 4.459 -3.613 6.294 671 HD22 LEU 85 1HD2 LEU 85 5.593 -2.647 7.233 672 HD23 LEU 85 2HD2 LEU 85 4.672 -1.904 5.926 673 H THR 86 HN THR 86 9.255 -0.039 6.747 674 HA THR 86 HA THR 86 11.856 -1.070 6.263 675 HB THR 86 HB THR 86 11.394 1.710 7.283 676 HG1 THR 86 1HG THR 86 10.612 2.321 5.298 677 HG21 THR 86 3HG2 THR 86 13.633 0.623 6.369 678 HG22 THR 86 1HG2 THR 86 13.213 2.312 6.085 679 HG23 THR 86 2HG2 THR 86 12.927 1.110 4.829 680 H LYS 87 HN LYS 87 10.208 0.150 9.132 681 HA LYS 87 HA LYS 87 12.338 0.378 10.883 682 HB2 LYS 87 2HB LYS 87 9.740 0.788 11.166 683 HB3 LYS 87 3HB LYS 87 9.790 -0.820 11.876 684 HG2 LYS 87 2HG LYS 87 11.529 -0.013 13.451 685 HG3 LYS 87 3HG LYS 87 11.316 1.610 12.789 686 HD2 LYS 87 2HD LYS 87 9.990 1.514 14.748 687 HD3 LYS 87 3HD LYS 87 8.869 1.395 13.390 688 HE2 LYS 87 2HE LYS 87 8.790 -1.030 13.664 689 HE3 LYS 87 3HE LYS 87 9.927 -0.922 15.007 690 HZ1 LYS 87 3HZ LYS 87 7.893 -1.020 16.057 691 HZ2 LYS 87 1HZ LYS 87 7.109 -0.071 14.896 692 HZ3 LYS 87 2HZ LYS 87 8.167 0.648 16.003 693 H HIS 88 HN HIS 88 10.187 -2.462 10.674 694 HA HIS 88 HA HIS 88 11.878 -4.123 12.202 695 HB2 HIS 88 2HB HIS 88 10.344 -5.826 11.814 696 HB3 HIS 88 3HB HIS 88 9.356 -4.387 11.614 697 HD1 HIS 88 1HD HIS 88 9.037 -3.642 8.996 698 HD2 HIS 88 2HD HIS 88 10.226 -7.553 9.731 699 HE1 HIS 88 1HE HIS 88 8.541 -4.904 6.879 700 HE2 HIS 88 2HE HIS 88 9.181 -7.288 7.381 701 H LYS 89 HN LYS 89 11.830 -3.297 8.835 702 HA LYS 89 HA LYS 89 13.351 -5.502 7.882 703 HB2 LYS 89 2HB LYS 89 12.454 -2.889 6.811 704 HB3 LYS 89 3HB LYS 89 13.867 -3.602 6.046 705 HG2 LYS 89 2HG LYS 89 11.750 -5.542 6.410 706 HG3 LYS 89 3HG LYS 89 11.215 -4.146 5.472 707 HD2 LYS 89 2HD LYS 89 12.118 -5.896 4.022 708 HD3 LYS 89 3HD LYS 89 13.106 -4.436 3.952 709 HE2 LYS 89 2HE LYS 89 14.834 -5.396 5.174 710 HE3 LYS 89 3HE LYS 89 13.790 -6.642 5.855 711 HZ1 LYS 89 3HZ LYS 89 15.021 -7.774 4.280 712 HZ2 LYS 89 1HZ LYS 89 14.986 -6.502 3.163 713 HZ3 LYS 89 2HZ LYS 89 13.597 -7.429 3.434 714 H ASP 90 HN ASP 90 14.187 -2.682 9.645 715 HA ASP 90 HA ASP 90 16.917 -2.558 8.735 716 HB2 ASP 90 2HB ASP 90 15.313 -0.716 9.860 717 HB3 ASP 90 3HB ASP 90 16.145 -1.287 11.303 718 H LYS 91 HN LYS 91 15.141 -4.150 11.259 719 HA LYS 91 HA LYS 91 17.155 -4.671 13.105 720 HB2 LYS 91 2HB LYS 91 15.022 -6.674 12.394 721 HB3 LYS 91 3HB LYS 91 15.776 -6.397 13.957 722 HG2 LYS 91 2HG LYS 91 14.703 -4.103 13.910 723 HG3 LYS 91 3HG LYS 91 13.757 -4.690 12.541 724 HD2 LYS 91 2HD LYS 91 12.320 -5.248 14.213 725 HD3 LYS 91 3HD LYS 91 13.313 -6.706 14.220 726 HE2 LYS 91 2HE LYS 91 14.339 -6.163 16.184 727 HE3 LYS 91 3HE LYS 91 14.202 -4.429 15.902 728 HZ1 LYS 91 3HZ LYS 91 12.704 -5.764 17.648 729 HZ2 LYS 91 1HZ LYS 91 11.698 -5.843 16.289 730 HZ3 LYS 91 2HZ LYS 91 12.198 -4.342 16.885 731 H LEU 92 HN LEU 92 16.303 -6.378 10.134 732 HA LEU 92 HA LEU 92 18.530 -8.230 10.544 733 HB2 LEU 92 2HB LEU 92 16.623 -8.293 8.225 734 HB3 LEU 92 3HB LEU 92 17.575 -9.604 8.895 735 HG LEU 92 HG LEU 92 15.975 -8.935 11.017 736 HD11 LEU 92 1HD1 LEU 92 14.757 -7.402 9.390 737 HD12 LEU 92 2HD1 LEU 92 14.168 -8.876 8.623 738 HD13 LEU 92 3HD1 LEU 92 13.775 -8.544 10.310 739 HD21 LEU 92 3HD2 LEU 92 15.214 -10.930 8.898 740 HD22 LEU 92 1HD2 LEU 92 16.546 -11.179 10.026 741 HD23 LEU 92 2HD2 LEU 92 14.898 -11.010 10.631 742 H LYS 93 HN LYS 93 19.168 -5.524 10.020 743 HA LYS 93 HA LYS 93 20.750 -5.885 7.608 744 HB2 LYS 93 2HB LYS 93 18.576 -4.749 6.966 745 HB3 LYS 93 3HB LYS 93 19.092 -3.386 7.950 746 HG2 LYS 93 2HG LYS 93 20.619 -2.696 6.442 747 HG3 LYS 93 3HG LYS 93 21.029 -4.337 5.941 748 HD2 LYS 93 2HD LYS 93 18.337 -3.256 5.257 749 HD3 LYS 93 3HD LYS 93 19.735 -2.709 4.329 750 HE2 LYS 93 2HE LYS 93 20.206 -4.862 3.547 751 HE3 LYS 93 3HE LYS 93 19.225 -5.626 4.796 752 HZ1 LYS 93 3HZ LYS 93 17.750 -5.773 3.123 753 HZ2 LYS 93 1HZ LYS 93 18.426 -4.494 2.245 754 HZ3 LYS 93 2HZ LYS 93 17.383 -4.176 3.540 755 H GLN 94 HN GLN 94 21.298 -5.762 10.460 756 HA GLN 94 HA GLN 94 22.455 -3.201 11.034 757 HB2 GLN 94 2HB GLN 94 23.342 -4.298 13.046 758 HB3 GLN 94 3HB GLN 94 21.625 -4.610 12.840 759 HG2 GLN 94 2HG GLN 94 22.622 -6.754 11.580 760 HG3 GLN 94 3HG GLN 94 23.918 -6.459 12.739 761 HE21 GLN 94 1HE2 GLN 94 23.528 -6.714 14.921 762 HE22 GLN 94 2HE2 GLN 94 22.116 -7.504 15.528 763 H HIS 95 HN HIS 95 23.556 -6.201 9.644 764 HA HIS 95 HA HIS 95 25.513 -6.820 8.667 765 HB2 HIS 95 2HB HIS 95 25.835 -3.821 8.590 766 HB3 HIS 95 3HB HIS 95 27.014 -4.918 7.881 767 HD1 HIS 95 1HD HIS 95 26.006 -6.538 5.948 768 HD2 HIS 95 2HD HIS 95 23.752 -3.197 6.957 769 HE1 HIS 95 1HE HIS 95 24.407 -6.204 4.036 770 HE2 HIS 95 2HE HIS 95 23.115 -4.124 4.628 Start of MODEL 19 1 H1 MET 1 1H MET 1 -0.025 -14.189 -7.015 2 H2 MET 1 2H MET 1 -0.727 -14.026 -5.457 3 H3 MET 1 3H MET 1 -0.907 -15.491 -6.333 4 HA MET 1 HA MET 1 0.697 -15.963 -4.802 5 HB2 MET 1 2HB MET 1 1.606 -15.328 -7.555 6 HB3 MET 1 3HB MET 1 2.866 -15.663 -6.374 7 HG2 MET 1 2HG MET 1 0.565 -17.477 -7.057 8 HG3 MET 1 3HG MET 1 2.229 -17.664 -7.604 9 HE1 MET 1 2HE MET 1 -0.064 -19.387 -4.849 10 HE2 MET 1 3HE MET 1 0.504 -19.710 -6.487 11 HE3 MET 1 1HE MET 1 1.261 -20.519 -5.116 12 H GLN 2 HN GLN 2 1.000 -12.729 -6.077 13 HA GLN 2 HA GLN 2 2.990 -12.093 -4.008 14 HB2 GLN 2 2HB GLN 2 2.297 -10.735 -6.608 15 HB3 GLN 2 3HB GLN 2 3.280 -9.959 -5.375 16 HG2 GLN 2 2HG GLN 2 5.036 -10.895 -6.347 17 HG3 GLN 2 3HG GLN 2 4.465 -12.433 -5.702 18 HE21 GLN 2 1HE2 GLN 2 2.917 -13.624 -7.075 19 HE22 GLN 2 2HE2 GLN 2 3.138 -13.569 -8.788 20 H LEU 3 HN LEU 3 0.857 -9.784 -5.607 21 HA LEU 3 HA LEU 3 -0.465 -9.316 -3.018 22 HB2 LEU 3 2HB LEU 3 -0.411 -6.964 -3.363 23 HB3 LEU 3 3HB LEU 3 1.218 -7.568 -3.587 24 HG LEU 3 HG LEU 3 -0.638 -6.992 -5.890 25 HD11 LEU 3 1HD1 LEU 3 1.118 -4.984 -6.003 26 HD12 LEU 3 2HD1 LEU 3 -0.436 -4.855 -5.179 27 HD13 LEU 3 3HD1 LEU 3 1.029 -5.184 -4.253 28 HD21 LEU 3 3HD2 LEU 3 2.163 -7.882 -5.575 29 HD22 LEU 3 1HD2 LEU 3 0.995 -8.230 -6.852 30 HD23 LEU 3 2HD2 LEU 3 1.849 -6.687 -6.833 31 H ASN 4 HN ASN 4 -2.640 -8.855 -3.045 32 HA ASN 4 HA ASN 4 -3.977 -8.841 -5.661 33 HB2 ASN 4 2HB ASN 4 -4.051 -11.130 -4.650 34 HB3 ASN 4 3HB ASN 4 -4.924 -10.450 -3.281 35 HD21 ASN 4 1HD2 ASN 4 -6.599 -11.953 -3.840 36 HD22 ASN 4 2HD2 ASN 4 -7.720 -11.565 -5.097 37 H ILE 5 HN ILE 5 -5.894 -7.674 -5.772 38 HA ILE 5 HA ILE 5 -6.357 -5.884 -3.485 39 HB ILE 5 HB ILE 5 -7.260 -5.457 -6.331 40 HG12 ILE 5 2HG1 ILE 5 -4.817 -4.355 -4.923 41 HG13 ILE 5 3HG1 ILE 5 -4.805 -5.539 -6.226 42 HG21 ILE 5 1HG2 ILE 5 -7.077 -3.009 -5.213 43 HG22 ILE 5 2HG2 ILE 5 -8.552 -3.976 -5.230 44 HG23 ILE 5 3HG2 ILE 5 -7.516 -3.971 -3.802 45 HD11 ILE 5 3HD1 ILE 5 -5.288 -3.986 -7.824 46 HD12 ILE 5 1HD1 ILE 5 -6.140 -2.929 -6.699 47 HD13 ILE 5 2HD1 ILE 5 -4.377 -2.994 -6.686 48 H THR 6 HN THR 6 -8.378 -5.578 -2.638 49 HA THR 6 HA THR 6 -10.679 -6.896 -3.824 50 HB THR 6 HB THR 6 -10.060 -7.456 -0.936 51 HG1 THR 6 1HG THR 6 -9.229 -8.963 -3.186 52 HG21 THR 6 3HG2 THR 6 -12.131 -8.222 -2.790 53 HG22 THR 6 1HG2 THR 6 -12.053 -8.411 -1.039 54 HG23 THR 6 2HG2 THR 6 -11.329 -9.629 -2.090 55 H GLY 7 HN GLY 7 -12.232 -5.382 -3.785 56 HA2 GLY 7 2HA GLY 7 -12.211 -3.478 -1.526 57 HA3 GLY 7 3HA GLY 7 -12.682 -3.043 -3.161 58 H ASN 8 HN ASN 8 -14.308 -2.393 -1.152 59 HA ASN 8 HA ASN 8 -16.571 -4.245 -1.481 60 HB2 ASN 8 2HB ASN 8 -17.299 -3.150 0.812 61 HB3 ASN 8 3HB ASN 8 -16.206 -4.528 0.785 62 HD21 ASN 8 1HD2 ASN 8 -15.661 -3.712 2.929 63 HD22 ASN 8 2HD2 ASN 8 -14.454 -2.482 3.068 64 H ASN 9 HN ASN 9 -17.902 -3.282 -2.876 65 HA ASN 9 HA ASN 9 -19.336 -1.750 -3.771 66 HB2 ASN 9 2HB ASN 9 -19.685 -1.259 -1.216 67 HB3 ASN 9 3HB ASN 9 -18.766 0.201 -1.565 68 HD21 ASN 9 1HD2 ASN 9 -21.085 0.798 -0.702 69 HD22 ASN 9 2HD2 ASN 9 -22.210 1.211 -1.947 70 H VAL 10 HN VAL 10 -16.717 -1.852 -4.644 71 HA VAL 10 HA VAL 10 -16.387 0.846 -5.669 72 HB VAL 10 HB VAL 10 -13.862 0.656 -5.250 73 HG11 VAL 10 1HG1 VAL 10 -14.046 2.035 -3.424 74 HG12 VAL 10 2HG1 VAL 10 -15.679 2.127 -4.083 75 HG13 VAL 10 3HG1 VAL 10 -15.343 1.086 -2.700 76 HG21 VAL 10 3HG2 VAL 10 -14.489 -0.844 -2.790 77 HG22 VAL 10 1HG2 VAL 10 -14.438 -1.779 -4.284 78 HG23 VAL 10 2HG2 VAL 10 -13.030 -0.843 -3.781 79 H GLU 11 HN GLU 11 -15.763 0.849 -7.750 80 HA GLU 11 HA GLU 11 -15.294 -1.702 -9.040 81 HB2 GLU 11 2HB GLU 11 -15.318 -0.300 -11.136 82 HB3 GLU 11 3HB GLU 11 -16.797 -0.254 -10.188 83 HG2 GLU 11 2HG GLU 11 -16.609 1.933 -9.770 84 HG3 GLU 11 3HG GLU 11 -14.871 1.835 -9.501 85 H ILE 12 HN ILE 12 -13.328 -2.511 -9.295 86 HA ILE 12 HA ILE 12 -10.985 -0.866 -8.911 87 HB ILE 12 HB ILE 12 -11.224 -3.805 -9.574 88 HG12 ILE 12 2HG1 ILE 12 -12.147 -3.000 -7.350 89 HG13 ILE 12 3HG1 ILE 12 -10.892 -4.231 -7.255 90 HG21 ILE 12 1HG2 ILE 12 -8.894 -2.013 -9.208 91 HG22 ILE 12 2HG2 ILE 12 -8.802 -3.618 -8.481 92 HG23 ILE 12 3HG2 ILE 12 -9.075 -3.450 -10.216 93 HD11 ILE 12 3HD1 ILE 12 -9.248 -2.405 -6.827 94 HD12 ILE 12 1HD1 ILE 12 -10.608 -1.288 -6.725 95 HD13 ILE 12 2HD1 ILE 12 -10.467 -2.613 -5.571 96 H THR 13 HN THR 13 -10.514 0.442 -10.582 97 HA THR 13 HA THR 13 -10.560 -0.673 -13.299 98 HB THR 13 HB THR 13 -10.347 1.750 -13.991 99 HG1 THR 13 1HG THR 13 -10.215 3.235 -12.518 100 HG21 THR 13 3HG2 THR 13 -12.684 2.392 -13.259 101 HG22 THR 13 1HG2 THR 13 -12.735 0.839 -12.427 102 HG23 THR 13 2HG2 THR 13 -12.517 0.896 -14.177 103 H GLU 14 HN GLU 14 -8.791 -0.241 -14.729 104 HA GLU 14 HA GLU 14 -6.355 -1.044 -14.078 105 HB2 GLU 14 2HB GLU 14 -6.867 1.268 -15.952 106 HB3 GLU 14 3HB GLU 14 -5.429 0.257 -15.943 107 HG2 GLU 14 2HG GLU 14 -6.483 -0.919 -17.512 108 HG3 GLU 14 3HG GLU 14 -7.403 -1.601 -16.172 109 H ALA 15 HN ALA 15 -7.203 2.433 -13.926 110 HA ALA 15 HA ALA 15 -4.749 3.310 -12.915 111 HB1 ALA 15 1HB ALA 15 -5.951 5.101 -13.599 112 HB2 ALA 15 2HB ALA 15 -7.487 4.408 -13.077 113 HB3 ALA 15 3HB ALA 15 -6.409 5.150 -11.897 114 H LEU 16 HN LEU 16 -7.728 2.402 -11.202 115 HA LEU 16 HA LEU 16 -6.898 2.935 -8.609 116 HB2 LEU 16 2HB LEU 16 -9.155 1.916 -9.759 117 HB3 LEU 16 3HB LEU 16 -8.534 0.517 -8.905 118 HG LEU 16 HG LEU 16 -8.536 1.790 -6.804 119 HD11 LEU 16 1HD1 LEU 16 -8.896 3.997 -6.648 120 HD12 LEU 16 2HD1 LEU 16 -8.479 4.018 -8.361 121 HD13 LEU 16 3HD1 LEU 16 -10.171 3.980 -7.865 122 HD21 LEU 16 3HD2 LEU 16 -10.504 0.708 -6.774 123 HD22 LEU 16 1HD2 LEU 16 -11.189 2.313 -7.031 124 HD23 LEU 16 2HD2 LEU 16 -10.937 1.232 -8.401 125 H ARG 17 HN ARG 17 -6.712 -0.107 -10.404 126 HA ARG 17 HA ARG 17 -5.318 -1.529 -8.384 127 HB2 ARG 17 2HB ARG 17 -4.881 -3.206 -10.128 128 HB3 ARG 17 3HB ARG 17 -6.564 -2.699 -10.122 129 HG2 ARG 17 2HG ARG 17 -6.255 -1.371 -12.071 130 HG3 ARG 17 3HG ARG 17 -4.505 -1.579 -12.006 131 HD2 ARG 17 2HD ARG 17 -5.461 -4.167 -12.048 132 HD3 ARG 17 3HD ARG 17 -6.549 -3.310 -13.138 133 HE ARG 17 HE ARG 17 -4.857 -3.284 -14.652 134 HH11 ARG 17 2HH1 ARG 17 -3.441 -3.483 -11.469 135 HH12 ARG 17 1HH1 ARG 17 -1.816 -3.573 -12.060 136 HH21 ARG 17 2HH2 ARG 17 -2.719 -3.402 -15.433 137 HH22 ARG 17 1HH2 ARG 17 -1.406 -3.527 -14.310 138 H GLU 18 HN GLU 18 -4.270 0.257 -11.242 139 HA GLU 18 HA GLU 18 -1.542 -0.412 -11.102 140 HB2 GLU 18 2HB GLU 18 -3.124 1.742 -12.428 141 HB3 GLU 18 3HB GLU 18 -1.376 1.909 -12.355 142 HG2 GLU 18 2HG GLU 18 -1.049 0.380 -13.936 143 HG3 GLU 18 3HG GLU 18 -2.231 -0.727 -13.238 144 H PHE 19 HN PHE 19 -3.165 2.607 -10.061 145 HA PHE 19 HA PHE 19 -0.979 3.862 -8.972 146 HB2 PHE 19 2HB PHE 19 -2.445 5.417 -8.219 147 HB3 PHE 19 3HB PHE 19 -3.572 4.513 -9.215 148 HD1 PHE 19 1HD PHE 19 -2.302 4.679 -5.706 149 HD2 PHE 19 2HD PHE 19 -5.526 3.789 -8.318 150 HE1 PHE 19 1HE PHE 19 -3.778 4.353 -3.763 151 HE2 PHE 19 2HE PHE 19 -7.012 3.452 -6.387 152 HZ PHE 19 HZ PHE 19 -6.140 3.738 -4.106 153 H VAL 20 HN VAL 20 -3.203 1.654 -7.251 154 HA VAL 20 HA VAL 20 -1.940 1.792 -4.757 155 HB VAL 20 HB VAL 20 -3.244 -0.696 -5.860 156 HG11 VAL 20 1HG1 VAL 20 -2.218 -1.175 -3.802 157 HG12 VAL 20 2HG1 VAL 20 -2.728 0.357 -3.096 158 HG13 VAL 20 3HG1 VAL 20 -3.917 -0.903 -3.419 159 HG21 VAL 20 3HG2 VAL 20 -4.945 1.025 -4.248 160 HG22 VAL 20 1HG2 VAL 20 -4.440 1.791 -5.753 161 HG23 VAL 20 2HG2 VAL 20 -5.271 0.238 -5.792 162 H THR 21 HN THR 21 -1.387 -0.399 -7.488 163 HA THR 21 HA THR 21 0.671 -1.895 -6.227 164 HB THR 21 HB THR 21 0.265 -1.531 -9.197 165 HG1 THR 21 1HG THR 21 -1.013 -3.359 -7.448 166 HG21 THR 21 3HG2 THR 21 1.755 -3.132 -9.475 167 HG22 THR 21 1HG2 THR 21 0.862 -4.195 -8.388 168 HG23 THR 21 2HG2 THR 21 2.083 -3.100 -7.741 169 H ALA 22 HN ALA 22 0.594 1.084 -8.035 170 HA ALA 22 HA ALA 22 3.275 1.285 -8.792 171 HB1 ALA 22 1HB ALA 22 1.058 2.867 -9.047 172 HB2 ALA 22 2HB ALA 22 2.068 3.814 -7.955 173 HB3 ALA 22 3HB ALA 22 2.694 3.319 -9.527 174 H LYS 23 HN LYS 23 1.659 2.317 -5.804 175 HA LYS 23 HA LYS 23 3.980 3.401 -4.592 176 HB2 LYS 23 2HB LYS 23 1.458 2.337 -3.305 177 HB3 LYS 23 3HB LYS 23 2.671 3.326 -2.506 178 HG2 LYS 23 2HG LYS 23 1.874 4.684 -4.860 179 HG3 LYS 23 3HG LYS 23 0.416 4.146 -4.024 180 HD2 LYS 23 2HD LYS 23 1.014 5.299 -2.044 181 HD3 LYS 23 3HD LYS 23 2.660 5.576 -2.618 182 HE2 LYS 23 2HE LYS 23 1.216 6.761 -4.584 183 HE3 LYS 23 3HE LYS 23 0.178 7.048 -3.188 184 HZ1 LYS 23 3HZ LYS 23 3.071 7.653 -3.110 185 HZ2 LYS 23 1HZ LYS 23 1.843 8.244 -2.107 186 HZ3 LYS 23 2HZ LYS 23 1.953 8.771 -3.712 187 H PHE 24 HN PHE 24 2.299 0.290 -4.149 188 HA PHE 24 HA PHE 24 3.993 -0.844 -2.275 189 HB2 PHE 24 2HB PHE 24 2.055 -1.838 -4.248 190 HB3 PHE 24 3HB PHE 24 3.302 -3.005 -3.820 191 HD1 PHE 24 2HD PHE 24 3.607 -3.637 -1.421 192 HD2 PHE 24 1HD PHE 24 0.291 -1.338 -2.777 193 HE1 PHE 24 2HE PHE 24 2.386 -4.187 0.643 194 HE2 PHE 24 1HE PHE 24 -0.935 -1.882 -0.715 195 HZ PHE 24 HZ PHE 24 0.113 -3.309 0.999 196 H ALA 25 HN ALA 25 4.254 -0.889 -5.814 197 HA ALA 25 HA ALA 25 6.466 -2.527 -6.098 198 HB1 ALA 25 1HB ALA 25 5.401 -1.941 -8.081 199 HB2 ALA 25 2HB ALA 25 5.441 -0.217 -7.708 200 HB3 ALA 25 3HB ALA 25 6.924 -1.055 -8.167 201 H LYS 26 HN LYS 26 6.419 1.021 -5.733 202 HA LYS 26 HA LYS 26 9.162 1.460 -5.761 203 HB2 LYS 26 2HB LYS 26 7.088 3.099 -5.621 204 HB3 LYS 26 3HB LYS 26 7.454 3.055 -3.902 205 HG2 LYS 26 2HG LYS 26 9.622 3.627 -5.873 206 HG3 LYS 26 3HG LYS 26 8.494 4.897 -5.399 207 HD2 LYS 26 2HD LYS 26 9.616 3.352 -3.167 208 HD3 LYS 26 3HD LYS 26 10.795 4.296 -4.079 209 HE2 LYS 26 2HE LYS 26 8.220 5.439 -3.017 210 HE3 LYS 26 3HE LYS 26 9.737 5.471 -2.118 211 HZ1 LYS 26 3HZ LYS 26 8.938 6.993 -4.473 212 HZ2 LYS 26 1HZ LYS 26 10.558 6.510 -4.394 213 HZ3 LYS 26 2HZ LYS 26 9.897 7.458 -3.159 214 H LEU 27 HN LEU 27 7.104 0.215 -3.242 215 HA LEU 27 HA LEU 27 9.086 0.496 -1.165 216 HB2 LEU 27 2HB LEU 27 6.361 -0.729 -1.352 217 HB3 LEU 27 3HB LEU 27 7.399 -1.131 0.003 218 HG LEU 27 HG LEU 27 7.579 1.371 0.432 219 HD11 LEU 27 1HD1 LEU 27 5.101 1.504 -1.262 220 HD12 LEU 27 2HD1 LEU 27 5.987 2.832 -0.512 221 HD13 LEU 27 3HD1 LEU 27 6.698 1.951 -1.864 222 HD21 LEU 27 3HD2 LEU 27 5.947 1.164 1.967 223 HD22 LEU 27 1HD2 LEU 27 4.739 0.692 0.773 224 HD23 LEU 27 2HD2 LEU 27 5.883 -0.500 1.387 225 H GLU 28 HN GLU 28 8.153 -1.857 -3.517 226 HA GLU 28 HA GLU 28 9.237 -4.173 -2.340 227 HB2 GLU 28 2HB GLU 28 7.865 -3.559 -4.674 228 HB3 GLU 28 3HB GLU 28 9.425 -4.133 -5.245 229 HG2 GLU 28 2HG GLU 28 8.702 -5.947 -3.275 230 HG3 GLU 28 3HG GLU 28 7.202 -5.604 -4.136 231 H GLN 29 HN GLN 29 10.799 -1.419 -3.571 232 HA GLN 29 HA GLN 29 13.137 -2.621 -4.637 233 HB2 GLN 29 2HB GLN 29 12.393 -0.265 -5.058 234 HB3 GLN 29 3HB GLN 29 12.870 0.128 -3.413 235 HG2 GLN 29 2HG GLN 29 15.122 -0.100 -3.867 236 HG3 GLN 29 3HG GLN 29 14.838 -1.116 -5.280 237 HE21 GLN 29 1HE2 GLN 29 14.464 -0.182 -7.244 238 HE22 GLN 29 2HE2 GLN 29 14.616 1.515 -7.536 239 H TYR 30 HN TYR 30 12.608 -0.945 -1.531 240 HA TYR 30 HA TYR 30 15.034 -2.155 -0.478 241 HB2 TYR 30 2HB TYR 30 14.330 -0.774 1.608 242 HB3 TYR 30 3HB TYR 30 14.938 0.066 0.187 243 HD1 TYR 30 1HD TYR 30 11.575 -1.278 1.127 244 HD2 TYR 30 2HD TYR 30 13.880 2.096 -0.054 245 HE1 TYR 30 1HE TYR 30 9.534 0.092 1.081 246 HE2 TYR 30 2HE TYR 30 11.846 3.476 -0.104 247 HH TYR 30 HH TYR 30 9.073 2.656 -0.433 248 H PHE 31 HN PHE 31 12.003 -3.262 -0.824 249 HA PHE 31 HA PHE 31 12.067 -4.724 1.734 250 HB2 PHE 31 2HB PHE 31 9.709 -3.925 0.023 251 HB3 PHE 31 3HB PHE 31 9.594 -5.096 1.330 252 HD1 PHE 31 1HD PHE 31 11.763 -3.344 2.960 253 HD2 PHE 31 2HD PHE 31 7.972 -2.615 1.166 254 HE1 PHE 31 1HE PHE 31 11.362 -1.517 4.556 255 HE2 PHE 31 2HE PHE 31 7.567 -0.784 2.759 256 HZ PHE 31 HZ PHE 31 9.264 -0.234 4.456 257 H ASP 32 HN ASP 32 12.635 -6.773 1.542 258 HA ASP 32 HA ASP 32 12.210 -8.123 -1.036 259 HB2 ASP 32 2HB ASP 32 14.165 -8.773 1.180 260 HB3 ASP 32 3HB ASP 32 14.007 -9.663 -0.331 261 H ARG 33 HN ARG 33 11.404 -8.171 2.322 262 HA ARG 33 HA ARG 33 10.467 -10.907 2.298 263 HB2 ARG 33 2HB ARG 33 9.902 -8.844 4.420 264 HB3 ARG 33 3HB ARG 33 9.925 -10.593 4.587 265 HG2 ARG 33 2HG ARG 33 12.197 -10.693 4.727 266 HG3 ARG 33 3HG ARG 33 12.432 -9.245 3.747 267 HD2 ARG 33 2HD ARG 33 11.621 -7.873 5.622 268 HD3 ARG 33 3HD ARG 33 11.450 -9.331 6.596 269 HE ARG 33 HE ARG 33 13.858 -7.896 6.059 270 HH11 ARG 33 2HH1 ARG 33 12.569 -11.072 6.718 271 HH12 ARG 33 1HH1 ARG 33 14.050 -11.672 7.387 272 HH21 ARG 33 2HH2 ARG 33 15.808 -8.684 6.938 273 HH22 ARG 33 1HH2 ARG 33 15.888 -10.315 7.512 274 H ILE 34 HN ILE 34 9.007 -10.564 0.459 275 HA ILE 34 HA ILE 34 6.354 -9.799 1.414 276 HB ILE 34 HB ILE 34 7.374 -8.832 -1.255 277 HG12 ILE 34 2HG1 ILE 34 6.967 -7.248 1.292 278 HG13 ILE 34 3HG1 ILE 34 8.531 -7.684 0.609 279 HG21 ILE 34 1HG2 ILE 34 5.310 -7.994 -1.640 280 HG22 ILE 34 2HG2 ILE 34 4.831 -9.287 -0.541 281 HG23 ILE 34 3HG2 ILE 34 5.015 -7.641 0.062 282 HD11 ILE 34 3HD1 ILE 34 6.496 -6.033 -0.858 283 HD12 ILE 34 1HD1 ILE 34 7.763 -5.346 0.159 284 HD13 ILE 34 2HD1 ILE 34 8.191 -6.285 -1.270 285 H ASN 35 HN ASN 35 5.094 -11.510 1.086 286 HA ASN 35 HA ASN 35 5.530 -13.121 -1.342 287 HB2 ASN 35 2HB ASN 35 4.487 -15.007 0.102 288 HB3 ASN 35 3HB ASN 35 6.175 -14.576 0.361 289 HD21 ASN 35 1HD2 ASN 35 3.541 -15.454 1.941 290 HD22 ASN 35 2HD2 ASN 35 3.749 -14.607 3.432 291 H GLN 36 HN GLN 36 3.028 -12.508 1.143 292 HA GLN 36 HA GLN 36 1.066 -12.342 -1.047 293 HB2 GLN 36 2HB GLN 36 0.892 -14.478 0.240 294 HB3 GLN 36 3HB GLN 36 0.545 -13.531 1.681 295 HG2 GLN 36 2HG GLN 36 -1.586 -13.894 1.093 296 HG3 GLN 36 3HG GLN 36 -1.310 -12.539 -0.001 297 HE21 GLN 36 1HE2 GLN 36 -1.458 -12.861 -2.136 298 HE22 GLN 36 2HE2 GLN 36 -1.731 -14.391 -2.888 299 H VAL 37 HN VAL 37 0.242 -10.359 -1.155 300 HA VAL 37 HA VAL 37 -0.182 -8.877 1.358 301 HB VAL 37 HB VAL 37 0.276 -7.451 -1.236 302 HG11 VAL 37 1HG1 VAL 37 -0.333 -5.860 0.255 303 HG12 VAL 37 2HG1 VAL 37 0.208 -6.798 1.647 304 HG13 VAL 37 3HG1 VAL 37 1.381 -5.924 0.662 305 HG21 VAL 37 3HG2 VAL 37 2.180 -9.010 -0.926 306 HG22 VAL 37 1HG2 VAL 37 2.647 -7.311 -0.830 307 HG23 VAL 37 2HG2 VAL 37 2.488 -8.267 0.644 308 H TYR 38 HN TYR 38 -2.167 -8.029 1.683 309 HA TYR 38 HA TYR 38 -4.031 -7.964 -0.587 310 HB2 TYR 38 2HB TYR 38 -5.795 -8.613 1.259 311 HB3 TYR 38 3HB TYR 38 -4.875 -9.856 0.421 312 HD1 TYR 38 1HD TYR 38 -2.616 -10.542 1.613 313 HD2 TYR 38 2HD TYR 38 -5.909 -8.684 3.564 314 HE1 TYR 38 1HE TYR 38 -1.821 -11.412 3.770 315 HE2 TYR 38 2HE TYR 38 -5.120 -9.547 5.728 316 HH TYR 38 HH TYR 38 -2.029 -10.903 6.151 317 H VAL 39 HN VAL 39 -5.413 -6.265 -0.657 318 HA VAL 39 HA VAL 39 -5.427 -4.388 1.605 319 HB VAL 39 HB VAL 39 -5.064 -3.540 -1.271 320 HG11 VAL 39 1HG1 VAL 39 -5.794 -1.569 -0.547 321 HG12 VAL 39 2HG1 VAL 39 -5.850 -2.135 1.121 322 HG13 VAL 39 3HG1 VAL 39 -4.352 -1.474 0.464 323 HG21 VAL 39 3HG2 VAL 39 -2.993 -4.434 -0.727 324 HG22 VAL 39 1HG2 VAL 39 -2.808 -2.733 -0.303 325 HG23 VAL 39 2HG2 VAL 39 -3.105 -3.928 0.959 326 H VAL 40 HN VAL 40 -7.314 -3.209 1.871 327 HA VAL 40 HA VAL 40 -9.445 -3.544 -0.101 328 HB VAL 40 HB VAL 40 -9.942 -4.121 2.822 329 HG11 VAL 40 1HG1 VAL 40 -11.707 -3.328 0.945 330 HG12 VAL 40 2HG1 VAL 40 -11.769 -5.076 0.718 331 HG13 VAL 40 3HG1 VAL 40 -12.121 -4.378 2.299 332 HG21 VAL 40 3HG2 VAL 40 -9.228 -5.948 0.569 333 HG22 VAL 40 1HG2 VAL 40 -8.698 -5.978 2.251 334 HG23 VAL 40 2HG2 VAL 40 -10.328 -6.504 1.831 335 H LEU 41 HN LEU 41 -10.744 -1.850 -0.296 336 HA LEU 41 HA LEU 41 -10.571 0.279 1.713 337 HB2 LEU 41 2HB LEU 41 -10.769 1.809 -0.420 338 HB3 LEU 41 3HB LEU 41 -9.217 1.251 0.169 339 HG LEU 41 HG LEU 41 -9.398 1.095 -2.274 340 HD11 LEU 41 1HD1 LEU 41 -8.375 -0.778 -0.566 341 HD12 LEU 41 2HD1 LEU 41 -9.341 -1.745 -1.682 342 HD13 LEU 41 3HD1 LEU 41 -8.075 -0.685 -2.302 343 HD21 LEU 41 3HD2 LEU 41 -11.906 0.579 -2.159 344 HD22 LEU 41 1HD2 LEU 41 -10.945 -0.227 -3.399 345 HD23 LEU 41 2HD2 LEU 41 -11.405 -1.098 -1.938 346 H LYS 42 HN LYS 42 -12.456 1.085 2.341 347 HA LYS 42 HA LYS 42 -14.856 0.376 0.796 348 HB2 LYS 42 2HB LYS 42 -14.943 -0.553 3.004 349 HB3 LYS 42 3HB LYS 42 -14.479 0.982 3.731 350 HG2 LYS 42 2HG LYS 42 -16.626 1.941 2.905 351 HG3 LYS 42 3HG LYS 42 -17.085 0.320 2.379 352 HD2 LYS 42 2HD LYS 42 -18.070 0.706 4.525 353 HD3 LYS 42 3HD LYS 42 -16.756 -0.453 4.731 354 HE2 LYS 42 2HE LYS 42 -15.289 1.340 5.504 355 HE3 LYS 42 3HE LYS 42 -16.589 2.510 5.278 356 HZ1 LYS 42 3HZ LYS 42 -17.717 1.748 7.094 357 HZ2 LYS 42 1HZ LYS 42 -16.131 1.455 7.606 358 HZ3 LYS 42 2HZ LYS 42 -17.072 0.186 7.002 359 H VAL 43 HN VAL 43 -16.359 1.916 0.253 360 HA VAL 43 HA VAL 43 -15.576 4.713 0.748 361 HB VAL 43 HB VAL 43 -16.884 3.638 -1.755 362 HG11 VAL 43 1HG1 VAL 43 -17.210 5.747 -2.427 363 HG12 VAL 43 2HG1 VAL 43 -16.986 6.188 -0.735 364 HG13 VAL 43 3HG1 VAL 43 -15.626 6.267 -1.855 365 HG21 VAL 43 3HG2 VAL 43 -14.062 4.636 -1.389 366 HG22 VAL 43 1HG2 VAL 43 -14.520 2.936 -1.476 367 HG23 VAL 43 2HG2 VAL 43 -14.779 3.991 -2.866 368 H GLU 44 HN GLU 44 -16.986 5.571 2.112 369 HA GLU 44 HA GLU 44 -19.849 5.125 1.619 370 HB2 GLU 44 2HB GLU 44 -20.072 5.452 4.180 371 HB3 GLU 44 3HB GLU 44 -19.571 3.884 3.566 372 HG2 GLU 44 2HG GLU 44 -17.225 4.495 4.016 373 HG3 GLU 44 3HG GLU 44 -17.786 6.016 4.713 374 H LYS 45 HN LYS 45 -21.229 6.870 2.175 375 HA LYS 45 HA LYS 45 -20.389 9.369 1.386 376 HB2 LYS 45 2HB LYS 45 -22.762 8.502 1.619 377 HB3 LYS 45 3HB LYS 45 -22.654 8.922 3.324 378 HG2 LYS 45 2HG LYS 45 -21.826 11.219 2.032 379 HG3 LYS 45 3HG LYS 45 -23.136 10.610 1.020 380 HD2 LYS 45 2HD LYS 45 -24.037 10.317 3.650 381 HD3 LYS 45 3HD LYS 45 -23.254 11.898 3.600 382 HE2 LYS 45 2HE LYS 45 -25.365 12.472 2.934 383 HE3 LYS 45 3HE LYS 45 -24.625 12.139 1.369 384 HZ1 LYS 45 3HZ LYS 45 -25.729 10.133 1.179 385 HZ2 LYS 45 1HZ LYS 45 -26.901 11.113 1.908 386 HZ3 LYS 45 2HZ LYS 45 -26.028 10.002 2.839 387 H VAL 46 HN VAL 46 -19.939 7.898 4.482 388 HA VAL 46 HA VAL 46 -19.541 10.431 5.831 389 HB VAL 46 HB VAL 46 -19.077 7.638 6.873 390 HG11 VAL 46 1HG1 VAL 46 -17.886 9.528 8.037 391 HG12 VAL 46 2HG1 VAL 46 -19.477 10.174 8.440 392 HG13 VAL 46 3HG1 VAL 46 -18.988 8.592 9.045 393 HG21 VAL 46 3HG2 VAL 46 -21.458 9.445 7.254 394 HG22 VAL 46 1HG2 VAL 46 -21.409 8.038 6.191 395 HG23 VAL 46 2HG2 VAL 46 -21.243 7.833 7.934 396 H THR 47 HN THR 47 -17.398 7.626 6.149 397 HA THR 47 HA THR 47 -15.158 9.315 5.259 398 HB THR 47 HB THR 47 -14.702 7.375 7.475 399 HG1 THR 47 1HG THR 47 -16.305 8.374 8.476 400 HG21 THR 47 3HG2 THR 47 -12.757 8.487 6.760 401 HG22 THR 47 1HG2 THR 47 -13.240 9.263 8.269 402 HG23 THR 47 2HG2 THR 47 -13.572 10.051 6.726 403 H HIS 48 HN HIS 48 -13.323 8.205 4.435 404 HA HIS 48 HA HIS 48 -14.011 5.629 3.239 405 HB2 HIS 48 2HB HIS 48 -11.669 7.471 2.700 406 HB3 HIS 48 3HB HIS 48 -12.052 6.011 1.795 407 HD1 HIS 48 1HD HIS 48 -12.625 6.999 -0.436 408 HD2 HIS 48 2HD HIS 48 -14.670 8.825 2.688 409 HE1 HIS 48 1HE HIS 48 -14.298 8.525 -1.529 410 HE2 HIS 48 2HE HIS 48 -15.460 9.688 0.380 411 H THR 49 HN THR 49 -12.956 3.745 3.684 412 HA THR 49 HA THR 49 -10.768 3.883 5.655 413 HB THR 49 HB THR 49 -12.828 1.683 5.564 414 HG1 THR 49 1HG THR 49 -12.792 3.991 7.210 415 HG21 THR 49 3HG2 THR 49 -10.677 1.216 6.720 416 HG22 THR 49 1HG2 THR 49 -12.100 1.130 7.757 417 HG23 THR 49 2HG2 THR 49 -11.045 2.542 7.824 418 H SER 50 HN SER 50 -8.996 2.723 5.249 419 HA SER 50 HA SER 50 -9.091 0.646 3.173 420 HB2 SER 50 2HB SER 50 -7.020 1.467 2.180 421 HB3 SER 50 3HB SER 50 -8.228 2.752 2.169 422 HG SER 50 HG SER 50 -7.215 3.635 4.001 423 H ASP 51 HN ASP 51 -7.778 -1.122 3.551 424 HA ASP 51 HA ASP 51 -6.122 -1.018 5.981 425 HB2 ASP 51 2HB ASP 51 -6.855 -3.247 6.590 426 HB3 ASP 51 3HB ASP 51 -8.262 -2.206 6.395 427 H ALA 52 HN ALA 52 -4.197 -2.089 5.949 428 HA ALA 52 HA ALA 52 -3.478 -3.493 3.464 429 HB1 ALA 52 1HB ALA 52 -1.192 -2.483 3.704 430 HB2 ALA 52 2HB ALA 52 -2.468 -1.346 3.275 431 HB3 ALA 52 3HB ALA 52 -1.867 -1.413 4.931 432 H THR 53 HN THR 53 -2.310 -5.331 3.696 433 HA THR 53 HA THR 53 -1.195 -5.985 6.325 434 HB THR 53 HB THR 53 -2.823 -8.033 4.854 435 HG1 THR 53 1HG THR 53 -3.739 -6.056 6.650 436 HG21 THR 53 3HG2 THR 53 -1.969 -7.709 7.714 437 HG22 THR 53 1HG2 THR 53 -1.512 -8.981 6.581 438 HG23 THR 53 2HG2 THR 53 -3.169 -8.887 7.178 439 H LEU 54 HN LEU 54 0.898 -6.245 5.849 440 HA LEU 54 HA LEU 54 1.624 -7.671 3.390 441 HB2 LEU 54 2HB LEU 54 3.117 -5.810 5.211 442 HB3 LEU 54 3HB LEU 54 3.970 -6.842 4.078 443 HG LEU 54 HG LEU 54 1.995 -5.576 2.547 444 HD11 LEU 54 1HD1 LEU 54 1.972 -3.330 3.045 445 HD12 LEU 54 2HD1 LEU 54 1.938 -4.047 4.656 446 HD13 LEU 54 3HD1 LEU 54 3.450 -3.417 4.003 447 HD21 LEU 54 3HD2 LEU 54 4.946 -5.447 2.844 448 HD22 LEU 54 1HD2 LEU 54 3.964 -5.909 1.452 449 HD23 LEU 54 2HD2 LEU 54 4.160 -4.205 1.868 450 H HIS 55 HN HIS 55 2.969 -9.466 3.407 451 HA HIS 55 HA HIS 55 3.081 -10.872 5.980 452 HB2 HIS 55 2HB HIS 55 2.968 -11.756 3.126 453 HB3 HIS 55 3HB HIS 55 3.718 -12.820 4.311 454 HD1 HIS 55 1HD HIS 55 2.099 -14.527 5.035 455 HD2 HIS 55 2HD HIS 55 0.269 -10.851 4.397 456 HE1 HIS 55 1HE HIS 55 -0.324 -14.874 5.609 457 HE2 HIS 55 2HE HIS 55 -1.393 -12.614 5.306 458 H VAL 56 HN VAL 56 4.953 -11.447 6.921 459 HA VAL 56 HA VAL 56 7.452 -11.039 5.422 460 HB VAL 56 HB VAL 56 7.065 -10.260 8.314 461 HG11 VAL 56 1HG1 VAL 56 9.377 -10.345 6.463 462 HG12 VAL 56 2HG1 VAL 56 9.273 -8.978 7.569 463 HG13 VAL 56 3HG1 VAL 56 9.306 -10.624 8.202 464 HG21 VAL 56 3HG2 VAL 56 5.898 -8.573 7.309 465 HG22 VAL 56 1HG2 VAL 56 7.529 -7.921 7.179 466 HG23 VAL 56 2HG2 VAL 56 6.784 -8.713 5.791 467 H ASN 57 HN ASN 57 9.242 -12.307 6.133 468 HA ASN 57 HA ASN 57 8.567 -14.946 6.855 469 HB2 ASN 57 2HB ASN 57 11.172 -13.471 6.581 470 HB3 ASN 57 3HB ASN 57 11.133 -15.133 7.166 471 HD21 ASN 57 1HD2 ASN 57 10.442 -13.029 4.465 472 HD22 ASN 57 2HD2 ASN 57 10.413 -14.267 3.259 473 H GLY 58 HN GLY 58 7.680 -15.310 8.813 474 HA2 GLY 58 2HA GLY 58 8.107 -15.924 11.076 475 HA3 GLY 58 3HA GLY 58 9.351 -14.686 11.146 476 H GLY 59 HN GLY 59 7.225 -12.902 9.719 477 HA2 GLY 59 2HA GLY 59 5.353 -12.492 11.916 478 HA3 GLY 59 3HA GLY 59 6.509 -11.201 11.633 479 H GLU 60 HN GLU 60 3.785 -10.766 11.479 480 HA GLU 60 HA GLU 60 3.530 -10.038 8.657 481 HB2 GLU 60 2HB GLU 60 1.622 -11.711 10.237 482 HB3 GLU 60 3HB GLU 60 0.983 -10.605 9.030 483 HG2 GLU 60 2HG GLU 60 1.386 -12.103 7.461 484 HG3 GLU 60 3HG GLU 60 3.110 -12.003 7.820 485 H ILE 61 HN ILE 61 2.815 -8.003 8.369 486 HA ILE 61 HA ILE 61 1.993 -6.518 10.762 487 HB ILE 61 HB ILE 61 2.764 -5.307 8.117 488 HG12 ILE 61 2HG1 ILE 61 4.960 -4.954 9.711 489 HG13 ILE 61 3HG1 ILE 61 4.462 -6.582 10.157 490 HG21 ILE 61 1HG2 ILE 61 3.536 -3.562 10.014 491 HG22 ILE 61 2HG2 ILE 61 1.940 -3.550 9.265 492 HG23 ILE 61 3HG2 ILE 61 2.171 -4.326 10.831 493 HD11 ILE 61 3HD1 ILE 61 5.105 -5.599 7.388 494 HD12 ILE 61 1HD1 ILE 61 6.085 -6.672 8.387 495 HD13 ILE 61 2HD1 ILE 61 4.523 -7.217 7.781 496 H HIS 62 HN HIS 62 0.050 -5.514 10.919 497 HA HIS 62 HA HIS 62 -1.693 -5.461 8.562 498 HB2 HIS 62 2HB HIS 62 -2.111 -7.433 10.227 499 HB3 HIS 62 3HB HIS 62 -2.824 -6.187 11.247 500 HD1 HIS 62 1HD HIS 62 -4.142 -8.675 9.470 501 HD2 HIS 62 2HD HIS 62 -4.509 -4.570 8.949 502 HE1 HIS 62 1HE HIS 62 -6.276 -8.349 8.181 503 HE2 HIS 62 2HE HIS 62 -6.527 -5.852 7.963 504 H ALA 63 HN ALA 63 -2.105 -3.361 8.237 505 HA ALA 63 HA ALA 63 -2.776 -1.711 10.584 506 HB1 ALA 63 1HB ALA 63 -0.784 -1.231 8.471 507 HB2 ALA 63 2HB ALA 63 -1.798 0.148 8.895 508 HB3 ALA 63 3HB ALA 63 -0.837 -0.656 10.137 509 H SER 64 HN SER 64 -4.097 0.224 10.038 510 HA SER 64 HA SER 64 -5.659 -0.041 7.585 511 HB2 SER 64 2HB SER 64 -6.662 -1.121 9.856 512 HB3 SER 64 3HB SER 64 -7.246 0.534 10.020 513 HG SER 64 HG SER 64 -8.782 -0.237 8.777 514 H ALA 65 HN ALA 65 -5.598 1.879 6.625 515 HA ALA 65 HA ALA 65 -5.454 4.288 8.315 516 HB1 ALA 65 1HB ALA 65 -3.596 4.683 7.146 517 HB2 ALA 65 2HB ALA 65 -3.999 3.469 5.931 518 HB3 ALA 65 3HB ALA 65 -4.670 5.096 5.810 519 H GLU 66 HN GLU 66 -6.536 6.200 7.552 520 HA GLU 66 HA GLU 66 -8.780 5.676 5.724 521 HB2 GLU 66 2HB GLU 66 -10.127 7.224 7.252 522 HB3 GLU 66 3HB GLU 66 -9.831 5.588 7.826 523 HG2 GLU 66 2HG GLU 66 -8.314 6.283 9.425 524 HG3 GLU 66 3HG GLU 66 -7.995 7.811 8.606 525 H GLY 67 HN GLY 67 -9.669 7.593 4.708 526 HA2 GLY 67 2HA GLY 67 -8.175 10.068 4.938 527 HA3 GLY 67 3HA GLY 67 -7.951 9.212 3.420 528 H GLN 68 HN GLN 68 -8.961 11.729 3.368 529 HA GLN 68 HA GLN 68 -11.774 11.899 3.486 530 HB2 GLN 68 2HB GLN 68 -10.272 13.858 3.504 531 HB3 GLN 68 3HB GLN 68 -9.851 13.537 1.828 532 HG2 GLN 68 2HG GLN 68 -11.468 15.306 1.927 533 HG3 GLN 68 3HG GLN 68 -12.202 13.879 1.195 534 HE21 GLN 68 1HE2 GLN 68 -14.032 15.461 1.917 535 HE22 GLN 68 2HE2 GLN 68 -14.749 15.079 3.442 536 H ASP 69 HN ASP 69 -9.761 10.297 1.273 537 HA ASP 69 HA ASP 69 -12.024 9.678 -0.407 538 HB2 ASP 69 2HB ASP 69 -10.717 10.243 -2.506 539 HB3 ASP 69 3HB ASP 69 -11.331 11.618 -1.595 540 H MET 70 HN MET 70 -11.178 8.174 -2.283 541 HA MET 70 HA MET 70 -10.091 5.893 -1.081 542 HB2 MET 70 2HB MET 70 -11.499 6.074 -3.216 543 HB3 MET 70 3HB MET 70 -9.989 6.430 -4.043 544 HG2 MET 70 2HG MET 70 -9.306 4.302 -3.984 545 HG3 MET 70 3HG MET 70 -9.904 4.048 -2.346 546 HE1 MET 70 3HE MET 70 -12.844 5.114 -5.183 547 HE2 MET 70 1HE MET 70 -11.144 5.163 -5.650 548 HE3 MET 70 2HE MET 70 -12.186 3.871 -6.245 549 H TYR 71 HN TYR 71 -8.585 8.019 -3.520 550 HA TYR 71 HA TYR 71 -6.056 6.874 -3.494 551 HB2 TYR 71 2HB TYR 71 -6.849 9.751 -3.988 552 HB3 TYR 71 3HB TYR 71 -5.257 9.087 -4.340 553 HD1 TYR 71 1HD TYR 71 -5.355 6.856 -5.826 554 HD2 TYR 71 2HD TYR 71 -8.345 9.879 -5.736 555 HE1 TYR 71 1HE TYR 71 -6.141 6.136 -8.042 556 HE2 TYR 71 2HE TYR 71 -9.140 9.169 -7.952 557 HH TYR 71 HH TYR 71 -8.842 6.575 -9.269 558 H ALA 72 HN ALA 72 -7.382 9.438 -1.445 559 HA ALA 72 HA ALA 72 -5.027 10.119 -0.094 560 HB1 ALA 72 1HB ALA 72 -7.931 10.412 0.476 561 HB2 ALA 72 2HB ALA 72 -6.783 10.706 1.782 562 HB3 ALA 72 3HB ALA 72 -6.684 11.646 0.293 563 H ALA 73 HN ALA 73 -7.591 7.824 0.816 564 HA ALA 73 HA ALA 73 -6.599 6.944 3.231 565 HB1 ALA 73 1HB ALA 73 -7.670 4.662 2.348 566 HB2 ALA 73 2HB ALA 73 -8.643 6.039 2.862 567 HB3 ALA 73 3HB ALA 73 -8.337 5.767 1.147 568 H ILE 74 HN ILE 74 -5.577 6.066 -0.008 569 HA ILE 74 HA ILE 74 -3.890 3.907 0.848 570 HB ILE 74 HB ILE 74 -3.927 5.400 -1.779 571 HG12 ILE 74 2HG1 ILE 74 -6.038 4.310 -1.450 572 HG13 ILE 74 3HG1 ILE 74 -5.106 3.322 -2.569 573 HG21 ILE 74 1HG2 ILE 74 -1.867 4.389 -1.837 574 HG22 ILE 74 2HG2 ILE 74 -2.371 3.054 -0.799 575 HG23 ILE 74 3HG2 ILE 74 -2.880 3.100 -2.487 576 HD11 ILE 74 3HD1 ILE 74 -5.477 2.791 0.368 577 HD12 ILE 74 1HD1 ILE 74 -6.271 1.944 -0.959 578 HD13 ILE 74 2HD1 ILE 74 -4.527 1.807 -0.744 579 H ASP 75 HN ASP 75 -3.527 7.342 0.333 580 HA ASP 75 HA ASP 75 -0.728 7.478 0.169 581 HB2 ASP 75 2HB ASP 75 -2.907 9.316 0.394 582 HB3 ASP 75 3HB ASP 75 -1.682 9.763 1.578 583 H GLY 76 HN GLY 76 -2.846 7.978 2.997 584 HA2 GLY 76 2HA GLY 76 -0.676 8.010 4.849 585 HA3 GLY 76 3HA GLY 76 -2.383 7.889 5.252 586 H LEU 77 HN LEU 77 -2.584 5.487 3.427 587 HA LEU 77 HA LEU 77 -2.097 3.517 5.432 588 HB2 LEU 77 2HB LEU 77 -3.992 3.290 3.958 589 HB3 LEU 77 3HB LEU 77 -2.952 3.306 2.547 590 HG LEU 77 HG LEU 77 -2.118 1.130 3.011 591 HD11 LEU 77 1HD1 LEU 77 -1.693 0.828 5.210 592 HD12 LEU 77 2HD1 LEU 77 -3.153 1.674 5.724 593 HD13 LEU 77 3HD1 LEU 77 -3.255 0.009 5.152 594 HD21 LEU 77 3HD2 LEU 77 -4.120 -0.217 2.957 595 HD22 LEU 77 1HD2 LEU 77 -5.069 1.109 3.627 596 HD23 LEU 77 2HD2 LEU 77 -4.371 1.252 2.014 597 H ILE 78 HN ILE 78 -0.629 4.286 2.303 598 HA ILE 78 HA ILE 78 1.357 2.214 2.540 599 HB ILE 78 HB ILE 78 1.155 4.514 0.592 600 HG12 ILE 78 2HG1 ILE 78 -0.714 2.974 0.385 601 HG13 ILE 78 3HG1 ILE 78 0.379 2.760 -0.981 602 HG21 ILE 78 1HG2 ILE 78 3.307 4.006 0.190 603 HG22 ILE 78 2HG2 ILE 78 3.199 2.453 1.019 604 HG23 ILE 78 3HG2 ILE 78 2.641 2.605 -0.648 605 HD11 ILE 78 3HD1 ILE 78 1.244 0.968 0.987 606 HD12 ILE 78 1HD1 ILE 78 -0.516 0.846 0.944 607 HD13 ILE 78 2HD1 ILE 78 0.422 0.599 -0.530 608 H ASP 79 HN ASP 79 1.015 5.399 3.695 609 HA ASP 79 HA ASP 79 3.820 6.032 3.777 610 HB2 ASP 79 2HB ASP 79 1.297 7.345 4.619 611 HB3 ASP 79 3HB ASP 79 2.740 7.777 5.531 612 H LYS 80 HN LYS 80 1.363 5.383 6.278 613 HA LYS 80 HA LYS 80 3.215 5.111 8.391 614 HB2 LYS 80 2HB LYS 80 0.846 5.573 8.785 615 HB3 LYS 80 3HB LYS 80 0.413 4.004 8.117 616 HG2 LYS 80 2HG LYS 80 2.056 3.164 10.023 617 HG3 LYS 80 3HG LYS 80 1.564 4.693 10.756 618 HD2 LYS 80 2HD LYS 80 -0.301 2.531 9.775 619 HD3 LYS 80 3HD LYS 80 0.121 2.838 11.461 620 HE2 LYS 80 2HE LYS 80 -0.878 5.166 9.963 621 HE3 LYS 80 3HE LYS 80 -2.049 3.873 10.215 622 HZ1 LYS 80 3HZ LYS 80 -1.860 4.062 12.523 623 HZ2 LYS 80 1HZ LYS 80 -1.907 5.664 11.981 624 HZ3 LYS 80 2HZ LYS 80 -0.434 4.969 12.438 625 H LEU 81 HN LEU 81 1.908 2.880 6.039 626 HA LEU 81 HA LEU 81 2.713 0.473 7.268 627 HB2 LEU 81 2HB LEU 81 1.982 1.292 4.492 628 HB3 LEU 81 3HB LEU 81 2.731 -0.273 4.737 629 HG LEU 81 HG LEU 81 0.083 0.086 4.737 630 HD11 LEU 81 1HD1 LEU 81 -0.073 -2.073 5.495 631 HD12 LEU 81 2HD1 LEU 81 1.627 -1.995 5.038 632 HD13 LEU 81 3HD1 LEU 81 1.163 -1.846 6.731 633 HD21 LEU 81 3HD2 LEU 81 -0.854 0.264 6.901 634 HD22 LEU 81 1HD2 LEU 81 0.727 0.162 7.675 635 HD23 LEU 81 2HD2 LEU 81 0.288 1.601 6.753 636 H ALA 82 HN ALA 82 4.300 2.544 4.855 637 HA ALA 82 HA ALA 82 6.567 0.971 4.426 638 HB1 ALA 82 1HB ALA 82 6.008 2.866 3.009 639 HB2 ALA 82 2HB ALA 82 6.330 3.977 4.340 640 HB3 ALA 82 3HB ALA 82 7.646 3.032 3.644 641 H ARG 83 HN ARG 83 6.264 3.796 6.584 642 HA ARG 83 HA ARG 83 8.742 3.669 7.790 643 HB2 ARG 83 2HB ARG 83 6.175 4.432 9.189 644 HB3 ARG 83 3HB ARG 83 7.800 4.954 9.609 645 HG2 ARG 83 2HG ARG 83 7.789 5.891 7.158 646 HG3 ARG 83 3HG ARG 83 6.039 5.831 7.378 647 HD2 ARG 83 2HD ARG 83 6.864 6.975 9.716 648 HD3 ARG 83 3HD ARG 83 8.031 7.624 8.563 649 HE ARG 83 HE ARG 83 5.666 8.017 7.321 650 HH11 ARG 83 2HH1 ARG 83 6.832 8.807 10.513 651 HH12 ARG 83 1HH1 ARG 83 5.836 10.215 10.665 652 HH21 ARG 83 2HH2 ARG 83 4.355 9.869 7.518 653 HH22 ARG 83 1HH2 ARG 83 4.430 10.819 8.965 654 H GLN 84 HN GLN 84 5.884 1.746 8.441 655 HA GLN 84 HA GLN 84 6.893 0.598 10.867 656 HB2 GLN 84 2HB GLN 84 4.469 0.406 9.245 657 HB3 GLN 84 3HB GLN 84 4.955 -1.139 9.929 658 HG2 GLN 84 2HG GLN 84 4.643 1.369 11.555 659 HG3 GLN 84 3HG GLN 84 3.351 0.196 11.308 660 HE21 GLN 84 1HE2 GLN 84 4.415 0.919 13.811 661 HE22 GLN 84 2HE2 GLN 84 5.166 -0.477 14.498 662 H LEU 85 HN LEU 85 6.609 -0.481 7.507 663 HA LEU 85 HA LEU 85 7.627 -3.068 7.845 664 HB2 LEU 85 2HB LEU 85 7.415 -1.183 5.541 665 HB3 LEU 85 3HB LEU 85 8.389 -2.628 5.356 666 HG LEU 85 HG LEU 85 5.817 -2.546 4.685 667 HD11 LEU 85 1HD1 LEU 85 6.123 -4.715 4.272 668 HD12 LEU 85 2HD1 LEU 85 7.725 -4.491 4.975 669 HD13 LEU 85 3HD1 LEU 85 6.401 -5.093 5.971 670 HD21 LEU 85 3HD2 LEU 85 4.324 -3.269 6.329 671 HD22 LEU 85 1HD2 LEU 85 5.617 -3.700 7.446 672 HD23 LEU 85 2HD2 LEU 85 5.258 -2.005 7.126 673 H THR 86 HN THR 86 9.262 -0.003 7.177 674 HA THR 86 HA THR 86 11.853 -1.097 6.869 675 HB THR 86 HB THR 86 11.263 1.692 7.845 676 HG1 THR 86 1HG THR 86 11.219 0.823 5.151 677 HG21 THR 86 3HG2 THR 86 13.206 1.351 5.722 678 HG22 THR 86 1HG2 THR 86 13.646 0.488 7.195 679 HG23 THR 86 2HG2 THR 86 13.332 2.222 7.251 680 H LYS 87 HN LYS 87 10.092 0.188 9.650 681 HA LYS 87 HA LYS 87 12.133 0.292 11.517 682 HB2 LYS 87 2HB LYS 87 9.455 0.732 11.588 683 HB3 LYS 87 3HB LYS 87 9.561 -0.758 12.516 684 HG2 LYS 87 2HG LYS 87 9.674 1.028 14.059 685 HG3 LYS 87 3HG LYS 87 11.304 0.362 13.931 686 HD2 LYS 87 2HD LYS 87 11.334 2.273 11.986 687 HD3 LYS 87 3HD LYS 87 10.281 3.012 13.194 688 HE2 LYS 87 2HE LYS 87 12.199 3.698 14.133 689 HE3 LYS 87 3HE LYS 87 12.291 2.049 14.751 690 HZ1 LYS 87 3HZ LYS 87 13.401 1.748 12.352 691 HZ2 LYS 87 1HZ LYS 87 14.287 2.102 13.750 692 HZ3 LYS 87 2HZ LYS 87 13.861 3.341 12.683 693 H HIS 88 HN HIS 88 9.807 -2.404 11.232 694 HA HIS 88 HA HIS 88 11.284 -4.163 12.850 695 HB2 HIS 88 2HB HIS 88 9.693 -5.778 12.331 696 HB3 HIS 88 3HB HIS 88 8.805 -4.285 12.056 697 HD1 HIS 88 1HD HIS 88 7.661 -4.112 9.860 698 HD2 HIS 88 2HD HIS 88 10.738 -6.904 9.795 699 HE1 HIS 88 1HE HIS 88 7.536 -5.199 7.595 700 HE2 HIS 88 2HE HIS 88 9.460 -6.824 7.549 701 H LYS 89 HN LYS 89 11.304 -3.577 9.386 702 HA LYS 89 HA LYS 89 12.898 -5.773 8.631 703 HB2 LYS 89 2HB LYS 89 11.594 -4.445 7.029 704 HB3 LYS 89 3HB LYS 89 12.638 -3.061 7.320 705 HG2 LYS 89 2HG LYS 89 14.292 -5.249 6.611 706 HG3 LYS 89 3HG LYS 89 12.962 -5.176 5.455 707 HD2 LYS 89 2HD LYS 89 13.659 -3.215 4.576 708 HD3 LYS 89 3HD LYS 89 14.203 -2.592 6.136 709 HE2 LYS 89 2HE LYS 89 16.188 -4.025 6.005 710 HE3 LYS 89 3HE LYS 89 15.646 -4.628 4.441 711 HZ1 LYS 89 3HZ LYS 89 17.348 -2.799 4.393 712 HZ2 LYS 89 1HZ LYS 89 16.141 -1.754 4.955 713 HZ3 LYS 89 2HZ LYS 89 15.962 -2.529 3.462 714 H ASP 90 HN ASP 90 13.675 -2.908 10.329 715 HA ASP 90 HA ASP 90 16.479 -2.940 9.576 716 HB2 ASP 90 2HB ASP 90 15.161 -0.819 10.043 717 HB3 ASP 90 3HB ASP 90 15.188 -1.279 11.744 718 H LYS 91 HN LYS 91 14.413 -3.984 12.187 719 HA LYS 91 HA LYS 91 16.237 -4.359 14.238 720 HB2 LYS 91 2HB LYS 91 13.946 -6.208 13.554 721 HB3 LYS 91 3HB LYS 91 14.705 -6.015 15.128 722 HG2 LYS 91 2HG LYS 91 13.900 -3.716 15.242 723 HG3 LYS 91 3HG LYS 91 13.144 -3.903 13.659 724 HD2 LYS 91 2HD LYS 91 11.324 -4.445 14.871 725 HD3 LYS 91 3HD LYS 91 12.097 -6.028 14.958 726 HE2 LYS 91 2HE LYS 91 13.275 -5.033 17.056 727 HE3 LYS 91 3HE LYS 91 11.948 -3.872 17.024 728 HZ1 LYS 91 3HZ LYS 91 11.892 -6.748 17.572 729 HZ2 LYS 91 1HZ LYS 91 10.542 -6.057 16.822 730 HZ3 LYS 91 2HZ LYS 91 11.053 -5.490 18.330 731 H LEU 92 HN LEU 92 15.643 -6.300 11.383 732 HA LEU 92 HA LEU 92 17.344 -8.452 12.274 733 HB2 LEU 92 2HB LEU 92 16.147 -7.922 9.552 734 HB3 LEU 92 3HB LEU 92 16.928 -9.409 10.054 735 HG LEU 92 HG LEU 92 14.658 -8.541 11.732 736 HD11 LEU 92 1HD1 LEU 92 13.098 -8.409 10.165 737 HD12 LEU 92 2HD1 LEU 92 14.351 -8.510 8.929 738 HD13 LEU 92 3HD1 LEU 92 13.574 -9.980 9.519 739 HD21 LEU 92 3HD2 LEU 92 15.463 -11.170 10.494 740 HD22 LEU 92 1HD2 LEU 92 15.851 -10.629 12.128 741 HD23 LEU 92 2HD2 LEU 92 14.174 -10.936 11.676 742 H LYS 93 HN LYS 93 18.983 -6.510 12.589 743 HA LYS 93 HA LYS 93 20.773 -6.593 10.257 744 HB2 LYS 93 2HB LYS 93 19.717 -4.384 10.333 745 HB3 LYS 93 3HB LYS 93 20.235 -4.182 12.000 746 HG2 LYS 93 2HG LYS 93 22.563 -4.212 11.296 747 HG3 LYS 93 3HG LYS 93 22.063 -4.456 9.623 748 HD2 LYS 93 2HD LYS 93 21.521 -2.290 9.340 749 HD3 LYS 93 3HD LYS 93 20.813 -2.156 10.951 750 HE2 LYS 93 2HE LYS 93 22.643 -1.150 11.709 751 HE3 LYS 93 3HE LYS 93 23.641 -2.508 11.189 752 HZ1 LYS 93 3HZ LYS 93 24.467 -0.635 10.075 753 HZ2 LYS 93 1HZ LYS 93 22.925 -0.079 9.656 754 HZ3 LYS 93 2HZ LYS 93 23.559 -1.458 8.911 755 H GLN 94 HN GLN 94 23.046 -6.246 10.789 756 HA GLN 94 HA GLN 94 23.904 -7.836 12.925 757 HB2 GLN 94 2HB GLN 94 26.173 -6.851 12.422 758 HB3 GLN 94 3HB GLN 94 25.350 -7.585 11.054 759 HG2 GLN 94 2HG GLN 94 25.228 -5.657 9.933 760 HG3 GLN 94 3HG GLN 94 24.821 -4.728 11.376 761 HE21 GLN 94 1HE2 GLN 94 26.307 -3.406 12.147 762 HE22 GLN 94 2HE2 GLN 94 27.991 -3.436 11.758 763 H HIS 95 HN HIS 95 23.696 -7.387 15.011 764 HA HIS 95 HA HIS 95 24.051 -4.602 15.898 765 HB2 HIS 95 2HB HIS 95 22.739 -5.231 17.887 766 HB3 HIS 95 3HB HIS 95 21.837 -5.499 16.399 767 HD1 HIS 95 1HD HIS 95 23.325 -7.275 19.307 768 HD2 HIS 95 2HD HIS 95 21.361 -8.212 15.767 769 HE1 HIS 95 1HE HIS 95 22.674 -9.695 19.519 770 HE2 HIS 95 2HE HIS 95 21.411 -10.215 17.401 Start of MODEL 20 1 H1 MET 1 1H MET 1 0.116 -15.674 -5.149 2 H2 MET 1 2H MET 1 -0.169 -14.046 -5.612 3 H3 MET 1 3H MET 1 0.476 -14.400 -4.060 4 HA MET 1 HA MET 1 2.368 -15.466 -5.278 5 HB2 MET 1 2HB MET 1 0.793 -15.084 -7.429 6 HB3 MET 1 3HB MET 1 1.737 -13.602 -7.500 7 HG2 MET 1 2HG MET 1 2.914 -15.082 -8.842 8 HG3 MET 1 3HG MET 1 3.786 -15.117 -7.311 9 HE1 MET 1 2HE MET 1 0.717 -16.433 -8.908 10 HE2 MET 1 3HE MET 1 1.533 -17.755 -9.744 11 HE3 MET 1 1HE MET 1 0.538 -18.089 -8.326 12 H GLN 2 HN GLN 2 1.183 -12.198 -6.092 13 HA GLN 2 HA GLN 2 3.448 -11.113 -4.556 14 HB2 GLN 2 2HB GLN 2 2.172 -10.140 -7.106 15 HB3 GLN 2 3HB GLN 2 3.167 -9.089 -6.107 16 HG2 GLN 2 2HG GLN 2 5.025 -9.928 -6.963 17 HG3 GLN 2 3HG GLN 2 4.522 -11.573 -6.578 18 HE21 GLN 2 1HE2 GLN 2 5.676 -12.043 -8.589 19 HE22 GLN 2 2HE2 GLN 2 4.824 -11.901 -10.086 20 H LEU 3 HN LEU 3 0.933 -9.072 -5.884 21 HA LEU 3 HA LEU 3 -0.125 -8.692 -3.163 22 HB2 LEU 3 2HB LEU 3 -0.346 -6.335 -3.587 23 HB3 LEU 3 3HB LEU 3 1.312 -6.818 -3.888 24 HG LEU 3 HG LEU 3 -0.623 -6.646 -6.166 25 HD11 LEU 3 1HD1 LEU 3 0.555 -4.270 -6.362 26 HD12 LEU 3 2HD1 LEU 3 -0.981 -4.499 -5.525 27 HD13 LEU 3 3HD1 LEU 3 0.521 -4.405 -4.604 28 HD21 LEU 3 3HD2 LEU 3 1.737 -5.771 -7.080 29 HD22 LEU 3 1HD2 LEU 3 2.300 -6.799 -5.762 30 HD23 LEU 3 2HD2 LEU 3 1.291 -7.477 -7.041 31 H ASN 4 HN ASN 4 -2.310 -8.423 -2.929 32 HA ASN 4 HA ASN 4 -3.960 -8.511 -5.360 33 HB2 ASN 4 2HB ASN 4 -3.816 -10.491 -3.182 34 HB3 ASN 4 3HB ASN 4 -5.448 -9.992 -3.610 35 HD21 ASN 4 1HD2 ASN 4 -2.442 -11.267 -4.923 36 HD22 ASN 4 2HD2 ASN 4 -3.164 -12.111 -6.246 37 H ILE 5 HN ILE 5 -5.877 -7.378 -5.263 38 HA ILE 5 HA ILE 5 -6.417 -5.947 -2.743 39 HB ILE 5 HB ILE 5 -7.401 -4.173 -4.463 40 HG12 ILE 5 2HG1 ILE 5 -4.939 -4.943 -5.976 41 HG13 ILE 5 3HG1 ILE 5 -6.444 -5.787 -6.327 42 HG21 ILE 5 1HG2 ILE 5 -5.968 -3.177 -3.057 43 HG22 ILE 5 2HG2 ILE 5 -4.806 -4.502 -3.135 44 HG23 ILE 5 3HG2 ILE 5 -4.846 -3.288 -4.414 45 HD11 ILE 5 3HD1 ILE 5 -6.690 -2.875 -6.240 46 HD12 ILE 5 1HD1 ILE 5 -5.631 -3.487 -7.509 47 HD13 ILE 5 2HD1 ILE 5 -7.304 -4.037 -7.414 48 H THR 6 HN THR 6 -8.593 -5.357 -2.343 49 HA THR 6 HA THR 6 -10.638 -6.557 -4.046 50 HB THR 6 HB THR 6 -10.603 -7.033 -1.065 51 HG1 THR 6 1HG THR 6 -8.915 -8.213 -1.885 52 HG21 THR 6 3HG2 THR 6 -12.787 -7.149 -2.344 53 HG22 THR 6 1HG2 THR 6 -12.336 -8.566 -1.396 54 HG23 THR 6 2HG2 THR 6 -12.114 -8.570 -3.145 55 H GLY 7 HN GLY 7 -12.086 -5.019 -4.445 56 HA2 GLY 7 2HA GLY 7 -12.337 -2.805 -2.536 57 HA3 GLY 7 3HA GLY 7 -12.822 -2.765 -4.223 58 H ASN 8 HN ASN 8 -13.983 -2.722 -1.193 59 HA ASN 8 HA ASN 8 -16.382 -4.308 -1.752 60 HB2 ASN 8 2HB ASN 8 -16.928 -3.824 0.651 61 HB3 ASN 8 3HB ASN 8 -15.422 -4.711 0.428 62 HD21 ASN 8 1HD2 ASN 8 -13.482 -3.692 0.878 63 HD22 ASN 8 2HD2 ASN 8 -13.403 -2.203 1.753 64 H ASN 9 HN ASN 9 -17.993 -3.280 -2.746 65 HA ASN 9 HA ASN 9 -19.540 -1.698 -3.291 66 HB2 ASN 9 2HB ASN 9 -19.676 -1.559 -0.732 67 HB3 ASN 9 3HB ASN 9 -18.673 -0.118 -0.873 68 HD21 ASN 9 1HD2 ASN 9 -21.108 0.087 0.262 69 HD22 ASN 9 2HD2 ASN 9 -22.191 0.941 -0.779 70 H VAL 10 HN VAL 10 -16.915 -1.567 -4.360 71 HA VAL 10 HA VAL 10 -16.921 1.188 -5.250 72 HB VAL 10 HB VAL 10 -15.403 1.292 -3.337 73 HG11 VAL 10 1HG1 VAL 10 -13.515 -0.550 -4.736 74 HG12 VAL 10 2HG1 VAL 10 -13.560 -0.067 -3.041 75 HG13 VAL 10 3HG1 VAL 10 -14.762 -1.194 -3.668 76 HG21 VAL 10 3HG2 VAL 10 -13.507 2.290 -4.455 77 HG22 VAL 10 1HG2 VAL 10 -13.893 1.429 -5.945 78 HG23 VAL 10 2HG2 VAL 10 -14.983 2.678 -5.340 79 H GLU 11 HN GLU 11 -16.382 1.353 -7.358 80 HA GLU 11 HA GLU 11 -15.947 -1.052 -8.847 81 HB2 GLU 11 2HB GLU 11 -16.939 1.512 -9.393 82 HB3 GLU 11 3HB GLU 11 -15.488 1.363 -10.377 83 HG2 GLU 11 2HG GLU 11 -17.793 -0.574 -10.355 84 HG3 GLU 11 3HG GLU 11 -17.498 0.664 -11.576 85 H ILE 12 HN ILE 12 -14.042 -2.007 -9.036 86 HA ILE 12 HA ILE 12 -11.580 -0.638 -8.500 87 HB ILE 12 HB ILE 12 -11.967 -3.408 -9.642 88 HG12 ILE 12 2HG1 ILE 12 -13.138 -3.052 -7.467 89 HG13 ILE 12 3HG1 ILE 12 -11.840 -4.236 -7.376 90 HG21 ILE 12 1HG2 ILE 12 -9.628 -1.846 -8.763 91 HG22 ILE 12 2HG2 ILE 12 -9.690 -3.521 -8.213 92 HG23 ILE 12 3HG2 ILE 12 -9.745 -3.156 -9.938 93 HD11 ILE 12 3HD1 ILE 12 -10.665 -1.782 -6.741 94 HD12 ILE 12 1HD1 ILE 12 -12.209 -1.818 -5.887 95 HD13 ILE 12 2HD1 ILE 12 -11.039 -3.116 -5.648 96 H THR 13 HN THR 13 -11.255 0.938 -10.036 97 HA THR 13 HA THR 13 -11.214 0.147 -12.853 98 HB THR 13 HB THR 13 -11.123 2.504 -13.364 99 HG1 THR 13 1HG THR 13 -10.707 4.021 -11.885 100 HG21 THR 13 3HG2 THR 13 -13.106 1.800 -11.239 101 HG22 THR 13 1HG2 THR 13 -13.350 1.957 -12.977 102 HG23 THR 13 2HG2 THR 13 -13.078 3.394 -11.991 103 H GLU 14 HN GLU 14 -9.394 0.308 -14.142 104 HA GLU 14 HA GLU 14 -7.001 -0.553 -13.372 105 HB2 GLU 14 2HB GLU 14 -7.816 1.286 -15.556 106 HB3 GLU 14 3HB GLU 14 -6.093 1.112 -15.255 107 HG2 GLU 14 2HG GLU 14 -6.486 -0.494 -16.854 108 HG3 GLU 14 3HG GLU 14 -6.564 -1.422 -15.359 109 H ALA 15 HN ALA 15 -7.883 2.895 -13.289 110 HA ALA 15 HA ALA 15 -5.407 3.892 -12.467 111 HB1 ALA 15 1HB ALA 15 -8.199 4.860 -12.420 112 HB2 ALA 15 2HB ALA 15 -7.063 5.666 -11.340 113 HB3 ALA 15 3HB ALA 15 -6.746 5.615 -13.074 114 H LEU 16 HN LEU 16 -8.193 2.837 -10.531 115 HA LEU 16 HA LEU 16 -7.121 3.453 -8.018 116 HB2 LEU 16 2HB LEU 16 -9.502 2.472 -8.949 117 HB3 LEU 16 3HB LEU 16 -8.846 1.083 -8.104 118 HG LEU 16 HG LEU 16 -10.344 2.477 -6.705 119 HD11 LEU 16 1HD1 LEU 16 -9.164 2.042 -4.826 120 HD12 LEU 16 2HD1 LEU 16 -8.134 1.176 -5.966 121 HD13 LEU 16 3HD1 LEU 16 -7.694 2.800 -5.437 122 HD21 LEU 16 3HD2 LEU 16 -10.052 4.680 -6.351 123 HD22 LEU 16 1HD2 LEU 16 -8.293 4.551 -6.326 124 HD23 LEU 16 2HD2 LEU 16 -9.151 4.610 -7.866 125 H ARG 17 HN ARG 17 -7.149 0.341 -9.772 126 HA ARG 17 HA ARG 17 -5.695 -1.070 -7.813 127 HB2 ARG 17 2HB ARG 17 -5.364 -2.768 -9.570 128 HB3 ARG 17 3HB ARG 17 -7.036 -2.238 -9.455 129 HG2 ARG 17 2HG ARG 17 -6.745 -0.825 -11.407 130 HG3 ARG 17 3HG ARG 17 -5.046 -1.289 -11.506 131 HD2 ARG 17 2HD ARG 17 -7.079 -3.453 -11.474 132 HD3 ARG 17 3HD ARG 17 -6.927 -2.492 -12.944 133 HE ARG 17 HE ARG 17 -4.422 -3.485 -11.928 134 HH11 ARG 17 2HH1 ARG 17 -7.174 -4.183 -13.961 135 HH12 ARG 17 1HH1 ARG 17 -6.322 -5.337 -14.930 136 HH21 ARG 17 2HH2 ARG 17 -3.303 -5.003 -13.201 137 HH22 ARG 17 1HH2 ARG 17 -4.124 -5.805 -14.499 138 H GLU 18 HN GLU 18 -4.638 0.528 -10.818 139 HA GLU 18 HA GLU 18 -1.950 -0.250 -10.665 140 HB2 GLU 18 2HB GLU 18 -1.491 1.426 -12.295 141 HB3 GLU 18 3HB GLU 18 -3.084 0.779 -12.657 142 HG2 GLU 18 2HG GLU 18 -4.113 2.718 -11.596 143 HG3 GLU 18 3HG GLU 18 -2.517 3.366 -11.228 144 H PHE 19 HN PHE 19 -3.588 2.647 -9.417 145 HA PHE 19 HA PHE 19 -1.391 4.021 -8.446 146 HB2 PHE 19 2HB PHE 19 -3.676 4.939 -8.502 147 HB3 PHE 19 3HB PHE 19 -4.143 3.848 -7.201 148 HD1 PHE 19 2HD PHE 19 -1.613 6.478 -7.961 149 HD2 PHE 19 1HD PHE 19 -4.094 4.627 -5.041 150 HE1 PHE 19 2HE PHE 19 -0.912 8.159 -6.308 151 HE2 PHE 19 1HE PHE 19 -3.398 6.305 -3.382 152 HZ PHE 19 HZ PHE 19 -1.805 8.074 -4.014 153 H VAL 20 HN VAL 20 -3.349 1.549 -6.796 154 HA VAL 20 HA VAL 20 -1.969 1.605 -4.349 155 HB VAL 20 HB VAL 20 -3.229 -0.877 -5.504 156 HG11 VAL 20 1HG1 VAL 20 -3.508 -1.581 -3.310 157 HG12 VAL 20 2HG1 VAL 20 -1.922 -0.807 -3.282 158 HG13 VAL 20 3HG1 VAL 20 -3.333 0.049 -2.660 159 HG21 VAL 20 3HG2 VAL 20 -5.117 0.472 -3.913 160 HG22 VAL 20 1HG2 VAL 20 -4.484 1.661 -5.050 161 HG23 VAL 20 2HG2 VAL 20 -5.190 0.160 -5.646 162 H THR 21 HN THR 21 -1.604 -0.602 -7.124 163 HA THR 21 HA THR 21 0.592 -2.020 -6.080 164 HB THR 21 HB THR 21 -0.171 -1.578 -8.974 165 HG1 THR 21 1HG THR 21 -1.333 -3.477 -8.734 166 HG21 THR 21 3HG2 THR 21 0.826 -4.026 -8.989 167 HG22 THR 21 1HG2 THR 21 1.797 -3.365 -7.674 168 HG23 THR 21 2HG2 THR 21 1.828 -2.602 -9.263 169 H ALA 22 HN ALA 22 0.344 1.012 -7.778 170 HA ALA 22 HA ALA 22 2.947 1.295 -8.730 171 HB1 ALA 22 1HB ALA 22 1.329 3.570 -7.615 172 HB2 ALA 22 2HB ALA 22 2.503 3.599 -8.932 173 HB3 ALA 22 3HB ALA 22 0.947 2.799 -9.155 174 H LYS 23 HN LYS 23 1.588 2.149 -5.563 175 HA LYS 23 HA LYS 23 4.025 3.190 -4.527 176 HB2 LYS 23 2HB LYS 23 1.614 2.136 -3.038 177 HB3 LYS 23 3HB LYS 23 2.895 3.125 -2.354 178 HG2 LYS 23 2HG LYS 23 1.806 4.425 -4.660 179 HG3 LYS 23 3HG LYS 23 0.507 3.977 -3.555 180 HD2 LYS 23 2HD LYS 23 1.592 5.133 -1.738 181 HD3 LYS 23 3HD LYS 23 2.997 5.476 -2.749 182 HE2 LYS 23 2HE LYS 23 1.073 6.552 -4.276 183 HE3 LYS 23 3HE LYS 23 0.332 6.760 -2.689 184 HZ1 LYS 23 3HZ LYS 23 2.522 7.784 -2.008 185 HZ2 LYS 23 1HZ LYS 23 1.574 8.692 -3.076 186 HZ3 LYS 23 2HZ LYS 23 2.915 7.838 -3.652 187 H PHE 24 HN PHE 24 2.379 0.061 -4.246 188 HA PHE 24 HA PHE 24 4.034 -1.203 -2.435 189 HB2 PHE 24 2HB PHE 24 2.160 -2.035 -4.516 190 HB3 PHE 24 3HB PHE 24 3.451 -3.205 -4.256 191 HD1 PHE 24 1HD PHE 24 0.674 -1.399 -2.640 192 HD2 PHE 24 2HD PHE 24 3.530 -4.536 -2.300 193 HE1 PHE 24 1HE PHE 24 -0.506 -2.254 -0.658 194 HE2 PHE 24 2HE PHE 24 2.354 -5.398 -0.317 195 HZ PHE 24 HZ PHE 24 0.333 -4.255 0.506 196 H ALA 25 HN ALA 25 4.418 -1.004 -5.965 197 HA ALA 25 HA ALA 25 6.706 -2.530 -6.262 198 HB1 ALA 25 1HB ALA 25 6.518 -0.048 -7.875 199 HB2 ALA 25 2HB ALA 25 6.817 -1.711 -8.381 200 HB3 ALA 25 3HB ALA 25 5.181 -1.192 -7.979 201 H LYS 26 HN LYS 26 6.499 0.983 -5.679 202 HA LYS 26 HA LYS 26 9.208 1.554 -5.600 203 HB2 LYS 26 2HB LYS 26 6.747 2.807 -4.586 204 HB3 LYS 26 3HB LYS 26 8.203 3.254 -3.707 205 HG2 LYS 26 2HG LYS 26 8.787 3.390 -6.478 206 HG3 LYS 26 3HG LYS 26 7.260 4.229 -6.196 207 HD2 LYS 26 2HD LYS 26 8.928 5.865 -5.915 208 HD3 LYS 26 3HD LYS 26 8.442 5.411 -4.279 209 HE2 LYS 26 2HE LYS 26 10.424 4.377 -3.828 210 HE3 LYS 26 3HE LYS 26 10.688 3.913 -5.509 211 HZ1 LYS 26 3HZ LYS 26 10.765 6.763 -4.907 212 HZ2 LYS 26 1HZ LYS 26 11.709 5.857 -5.981 213 HZ3 LYS 26 2HZ LYS 26 12.053 5.835 -4.325 214 H LEU 27 HN LEU 27 7.183 0.011 -3.221 215 HA LEU 27 HA LEU 27 9.117 0.237 -1.093 216 HB2 LEU 27 2HB LEU 27 6.467 -1.114 -1.420 217 HB3 LEU 27 3HB LEU 27 7.509 -1.561 -0.082 218 HG LEU 27 HG LEU 27 7.540 1.071 0.299 219 HD11 LEU 27 1HD1 LEU 27 5.094 0.533 -1.337 220 HD12 LEU 27 2HD1 LEU 27 5.096 1.796 -0.106 221 HD13 LEU 27 3HD1 LEU 27 6.240 1.869 -1.446 222 HD21 LEU 27 3HD2 LEU 27 6.256 0.653 2.121 223 HD22 LEU 27 1HD2 LEU 27 5.028 -0.212 1.195 224 HD23 LEU 27 2HD2 LEU 27 6.537 -1.016 1.626 225 H GLU 28 HN GLU 28 8.205 -2.087 -3.528 226 HA GLU 28 HA GLU 28 9.490 -4.359 -2.507 227 HB2 GLU 28 2HB GLU 28 8.749 -3.496 -5.289 228 HB3 GLU 28 3HB GLU 28 9.591 -5.011 -4.999 229 HG2 GLU 28 2HG GLU 28 7.655 -5.416 -3.292 230 HG3 GLU 28 3HG GLU 28 6.818 -4.213 -4.271 231 H GLN 29 HN GLN 29 10.830 -1.467 -3.704 232 HA GLN 29 HA GLN 29 13.225 -2.513 -4.826 233 HB2 GLN 29 2HB GLN 29 12.402 -0.267 -5.367 234 HB3 GLN 29 3HB GLN 29 12.643 0.230 -3.698 235 HG2 GLN 29 2HG GLN 29 15.072 -0.872 -4.742 236 HG3 GLN 29 3HG GLN 29 14.463 0.381 -5.823 237 HE21 GLN 29 1HE2 GLN 29 15.607 -0.334 -2.614 238 HE22 GLN 29 2HE2 GLN 29 15.907 1.300 -2.138 239 H TYR 30 HN TYR 30 12.621 -0.836 -1.732 240 HA TYR 30 HA TYR 30 15.170 -1.790 -0.720 241 HB2 TYR 30 2HB TYR 30 14.270 -0.520 1.406 242 HB3 TYR 30 3HB TYR 30 14.914 0.362 0.028 243 HD1 TYR 30 1HD TYR 30 11.753 -0.761 1.612 244 HD2 TYR 30 2HD TYR 30 13.590 1.931 -1.117 245 HE1 TYR 30 1HE TYR 30 9.650 0.501 1.454 246 HE2 TYR 30 2HE TYR 30 11.493 3.203 -1.285 247 HH TYR 30 HH TYR 30 8.759 2.318 -0.766 248 H PHE 31 HN PHE 31 11.824 -2.651 -0.490 249 HA PHE 31 HA PHE 31 12.328 -4.347 1.841 250 HB2 PHE 31 2HB PHE 31 9.784 -3.695 0.341 251 HB3 PHE 31 3HB PHE 31 9.863 -4.854 1.660 252 HD1 PHE 31 1HD PHE 31 11.994 -3.055 3.175 253 HD2 PHE 31 2HD PHE 31 8.132 -2.381 1.526 254 HE1 PHE 31 1HE PHE 31 11.628 -1.236 4.789 255 HE2 PHE 31 2HE PHE 31 7.760 -0.557 3.133 256 HZ PHE 31 HZ PHE 31 9.508 0.018 4.769 257 H ASP 32 HN ASP 32 12.996 -6.356 1.569 258 HA ASP 32 HA ASP 32 12.460 -7.690 -0.995 259 HB2 ASP 32 2HB ASP 32 14.856 -7.309 0.214 260 HB3 ASP 32 3HB ASP 32 14.420 -8.887 0.864 261 H ARG 33 HN ARG 33 12.060 -7.933 2.459 262 HA ARG 33 HA ARG 33 11.221 -10.672 2.457 263 HB2 ARG 33 2HB ARG 33 10.636 -8.615 4.584 264 HB3 ARG 33 3HB ARG 33 10.724 -10.362 4.771 265 HG2 ARG 33 2HG ARG 33 13.085 -8.678 3.979 266 HG3 ARG 33 3HG ARG 33 12.682 -9.060 5.654 267 HD2 ARG 33 2HD ARG 33 14.241 -10.692 5.065 268 HD3 ARG 33 3HD ARG 33 12.688 -11.507 4.891 269 HE ARG 33 HE ARG 33 13.305 -10.436 2.414 270 HH11 ARG 33 2HH1 ARG 33 14.665 -12.786 4.606 271 HH12 ARG 33 1HH1 ARG 33 15.387 -13.728 3.345 272 HH21 ARG 33 2HH2 ARG 33 14.256 -11.672 0.755 273 HH22 ARG 33 1HH2 ARG 33 15.156 -13.095 1.159 274 H ILE 34 HN ILE 34 9.694 -10.281 0.608 275 HA ILE 34 HA ILE 34 7.027 -9.758 1.700 276 HB ILE 34 HB ILE 34 7.869 -8.708 -0.999 277 HG12 ILE 34 2HG1 ILE 34 7.403 -7.084 1.506 278 HG13 ILE 34 3HG1 ILE 34 9.005 -7.562 0.952 279 HG21 ILE 34 1HG2 ILE 34 5.345 -8.840 0.517 280 HG22 ILE 34 2HG2 ILE 34 5.677 -7.313 -0.300 281 HG23 ILE 34 3HG2 ILE 34 5.628 -8.813 -1.223 282 HD11 ILE 34 3HD1 ILE 34 7.977 -6.422 -1.287 283 HD12 ILE 34 1HD1 ILE 34 7.224 -5.458 -0.016 284 HD13 ILE 34 2HD1 ILE 34 8.981 -5.593 -0.096 285 H ASN 35 HN ASN 35 5.703 -11.394 1.273 286 HA ASN 35 HA ASN 35 6.276 -13.081 -1.076 287 HB2 ASN 35 2HB ASN 35 5.035 -14.871 0.388 288 HB3 ASN 35 3HB ASN 35 6.741 -14.540 0.661 289 HD21 ASN 35 1HD2 ASN 35 7.292 -13.096 2.411 290 HD22 ASN 35 2HD2 ASN 35 6.270 -13.019 3.802 291 H GLN 36 HN GLN 36 3.603 -12.478 1.217 292 HA GLN 36 HA GLN 36 1.818 -12.150 -1.099 293 HB2 GLN 36 2HB GLN 36 1.543 -14.395 -0.028 294 HB3 GLN 36 3HB GLN 36 1.083 -13.579 1.460 295 HG2 GLN 36 2HG GLN 36 -1.008 -13.399 0.771 296 HG3 GLN 36 3HG GLN 36 -0.494 -12.577 -0.702 297 HE21 GLN 36 1HE2 GLN 36 0.940 -14.557 -1.943 298 HE22 GLN 36 2HE2 GLN 36 -0.118 -15.853 -2.377 299 H VAL 37 HN VAL 37 0.878 -10.236 -1.092 300 HA VAL 37 HA VAL 37 0.281 -8.957 1.493 301 HB VAL 37 HB VAL 37 0.579 -6.763 0.045 302 HG11 VAL 37 1HG1 VAL 37 2.190 -6.412 1.531 303 HG12 VAL 37 2HG1 VAL 37 2.092 -8.115 1.971 304 HG13 VAL 37 3HG1 VAL 37 3.244 -7.585 0.747 305 HG21 VAL 37 3HG2 VAL 37 2.622 -7.040 -1.415 306 HG22 VAL 37 1HG2 VAL 37 2.329 -8.777 -1.350 307 HG23 VAL 37 2HG2 VAL 37 1.122 -7.705 -2.057 308 H TYR 38 HN TYR 38 -1.710 -8.069 1.707 309 HA TYR 38 HA TYR 38 -3.393 -7.882 -0.688 310 HB2 TYR 38 2HB TYR 38 -5.285 -8.682 0.968 311 HB3 TYR 38 3HB TYR 38 -4.288 -9.846 0.103 312 HD1 TYR 38 1HD TYR 38 -2.091 -10.581 1.402 313 HD2 TYR 38 2HD TYR 38 -5.573 -8.966 3.240 314 HE1 TYR 38 1HE TYR 38 -1.438 -11.615 3.535 315 HE2 TYR 38 2HE TYR 38 -4.927 -9.995 5.379 316 HH TYR 38 HH TYR 38 -2.058 -10.945 6.172 317 H VAL 39 HN VAL 39 -4.978 -6.307 -0.665 318 HA VAL 39 HA VAL 39 -5.095 -4.535 1.673 319 HB VAL 39 HB VAL 39 -4.779 -3.455 -1.127 320 HG11 VAL 39 1HG1 VAL 39 -5.938 -2.102 0.684 321 HG12 VAL 39 2HG1 VAL 39 -4.368 -2.028 1.486 322 HG13 VAL 39 3HG1 VAL 39 -4.571 -1.336 -0.122 323 HG21 VAL 39 3HG2 VAL 39 -2.746 -4.289 0.850 324 HG22 VAL 39 1HG2 VAL 39 -2.652 -4.203 -0.909 325 HG23 VAL 39 2HG2 VAL 39 -2.484 -2.736 0.056 326 H VAL 40 HN VAL 40 -7.017 -3.392 1.915 327 HA VAL 40 HA VAL 40 -9.105 -3.746 -0.102 328 HB VAL 40 HB VAL 40 -9.611 -4.422 2.800 329 HG11 VAL 40 1HG1 VAL 40 -11.780 -4.730 2.255 330 HG12 VAL 40 2HG1 VAL 40 -11.391 -3.614 0.945 331 HG13 VAL 40 3HG1 VAL 40 -11.401 -5.354 0.650 332 HG21 VAL 40 3HG2 VAL 40 -9.780 -6.773 2.036 333 HG22 VAL 40 1HG2 VAL 40 -9.152 -6.275 0.464 334 HG23 VAL 40 2HG2 VAL 40 -8.148 -6.116 1.905 335 H LEU 41 HN LEU 41 -10.454 -2.081 -0.266 336 HA LEU 41 HA LEU 41 -10.371 -0.013 1.812 337 HB2 LEU 41 2HB LEU 41 -10.577 1.582 -0.268 338 HB3 LEU 41 3HB LEU 41 -9.018 1.043 0.323 339 HG LEU 41 HG LEU 41 -9.166 0.974 -2.127 340 HD11 LEU 41 1HD1 LEU 41 -9.034 -1.885 -1.604 341 HD12 LEU 41 2HD1 LEU 41 -7.808 -0.781 -2.228 342 HD13 LEU 41 3HD1 LEU 41 -8.078 -0.906 -0.491 343 HD21 LEU 41 3HD2 LEU 41 -11.104 -1.290 -1.903 344 HD22 LEU 41 1HD2 LEU 41 -11.659 0.376 -2.060 345 HD23 LEU 41 2HD2 LEU 41 -10.658 -0.343 -3.321 346 H LYS 42 HN LYS 42 -12.287 0.742 2.425 347 HA LYS 42 HA LYS 42 -14.649 -0.066 0.881 348 HB2 LYS 42 2HB LYS 42 -14.877 -0.880 3.071 349 HB3 LYS 42 3HB LYS 42 -14.207 0.584 3.783 350 HG2 LYS 42 2HG LYS 42 -16.214 1.803 3.328 351 HG3 LYS 42 3HG LYS 42 -16.870 0.466 2.383 352 HD2 LYS 42 2HD LYS 42 -17.914 0.424 4.531 353 HD3 LYS 42 3HD LYS 42 -16.787 -0.932 4.456 354 HE2 LYS 42 2HE LYS 42 -15.122 0.752 5.540 355 HE3 LYS 42 3HE LYS 42 -16.585 1.624 5.995 356 HZ1 LYS 42 3HZ LYS 42 -17.364 -0.536 6.981 357 HZ2 LYS 42 1HZ LYS 42 -16.067 0.201 7.779 358 HZ3 LYS 42 2HZ LYS 42 -15.795 -1.125 6.765 359 H VAL 43 HN VAL 43 -16.042 1.395 0.044 360 HA VAL 43 HA VAL 43 -15.383 4.241 0.447 361 HB VAL 43 HB VAL 43 -16.640 3.010 -2.007 362 HG11 VAL 43 1HG1 VAL 43 -16.299 5.157 -3.037 363 HG12 VAL 43 2HG1 VAL 43 -17.211 5.381 -1.544 364 HG13 VAL 43 3HG1 VAL 43 -15.491 5.766 -1.592 365 HG21 VAL 43 3HG2 VAL 43 -13.801 3.916 -1.551 366 HG22 VAL 43 1HG2 VAL 43 -14.341 2.250 -1.761 367 HG23 VAL 43 2HG2 VAL 43 -14.477 3.397 -3.094 368 H GLU 44 HN GLU 44 -16.846 5.251 1.624 369 HA GLU 44 HA GLU 44 -19.686 4.743 1.095 370 HB2 GLU 44 2HB GLU 44 -20.057 5.073 3.610 371 HB3 GLU 44 3HB GLU 44 -19.427 3.521 3.080 372 HG2 GLU 44 2HG GLU 44 -17.180 4.200 3.707 373 HG3 GLU 44 3HG GLU 44 -17.789 5.779 4.202 374 H LYS 45 HN LYS 45 -21.077 6.506 1.553 375 HA LYS 45 HA LYS 45 -20.140 8.993 0.782 376 HB2 LYS 45 2HB LYS 45 -22.542 8.109 0.838 377 HB3 LYS 45 3HB LYS 45 -22.574 8.634 2.516 378 HG2 LYS 45 2HG LYS 45 -21.588 10.730 0.802 379 HG3 LYS 45 3HG LYS 45 -23.165 10.150 0.261 380 HD2 LYS 45 2HD LYS 45 -24.129 10.574 2.414 381 HD3 LYS 45 3HD LYS 45 -22.547 10.943 3.104 382 HE2 LYS 45 2HE LYS 45 -23.680 13.009 2.701 383 HE3 LYS 45 3HE LYS 45 -22.382 12.859 1.518 384 HZ1 LYS 45 3HZ LYS 45 -24.027 13.413 0.107 385 HZ2 LYS 45 1HZ LYS 45 -25.260 12.855 1.122 386 HZ3 LYS 45 2HZ LYS 45 -24.388 11.762 0.172 387 H VAL 46 HN VAL 46 -19.982 7.538 3.906 388 HA VAL 46 HA VAL 46 -19.733 10.054 5.306 389 HB VAL 46 HB VAL 46 -19.279 7.248 6.318 390 HG11 VAL 46 1HG1 VAL 46 -18.852 9.851 7.506 391 HG12 VAL 46 2HG1 VAL 46 -20.013 8.896 8.428 392 HG13 VAL 46 3HG1 VAL 46 -18.403 8.253 8.103 393 HG21 VAL 46 3HG2 VAL 46 -21.697 9.037 6.472 394 HG22 VAL 46 1HG2 VAL 46 -21.556 7.527 5.574 395 HG23 VAL 46 2HG2 VAL 46 -21.512 7.511 7.337 396 H THR 47 HN THR 47 -17.530 7.312 5.737 397 HA THR 47 HA THR 47 -15.287 9.082 5.037 398 HB THR 47 HB THR 47 -15.309 7.165 7.373 399 HG1 THR 47 1HG THR 47 -16.659 9.080 7.606 400 HG21 THR 47 3HG2 THR 47 -13.257 8.126 8.043 401 HG22 THR 47 1HG2 THR 47 -13.350 9.367 6.793 402 HG23 THR 47 2HG2 THR 47 -13.083 7.681 6.346 403 H HIS 48 HN HIS 48 -13.375 8.041 4.305 404 HA HIS 48 HA HIS 48 -13.914 5.456 3.047 405 HB2 HIS 48 2HB HIS 48 -11.619 7.374 2.587 406 HB3 HIS 48 3HB HIS 48 -11.982 5.940 1.632 407 HD1 HIS 48 1HD HIS 48 -12.630 6.909 -0.571 408 HD2 HIS 48 2HD HIS 48 -14.553 8.787 2.598 409 HE1 HIS 48 1HE HIS 48 -14.291 8.474 -1.625 410 HE2 HIS 48 2HE HIS 48 -15.384 9.660 0.310 411 H THR 49 HN THR 49 -12.866 3.616 3.598 412 HA THR 49 HA THR 49 -10.689 3.847 5.572 413 HB THR 49 HB THR 49 -12.848 1.732 5.498 414 HG1 THR 49 1HG THR 49 -13.849 3.364 6.427 415 HG21 THR 49 3HG2 THR 49 -11.766 0.565 7.042 416 HG22 THR 49 1HG2 THR 49 -11.340 2.012 7.954 417 HG23 THR 49 2HG2 THR 49 -10.338 1.499 6.596 418 H SER 50 HN SER 50 -8.919 2.617 5.285 419 HA SER 50 HA SER 50 -8.951 0.568 3.180 420 HB2 SER 50 2HB SER 50 -6.814 1.365 2.304 421 HB3 SER 50 3HB SER 50 -8.010 2.661 2.234 422 HG SER 50 HG SER 50 -6.048 2.327 4.261 423 H ASP 51 HN ASP 51 -7.663 -1.218 3.575 424 HA ASP 51 HA ASP 51 -6.139 -1.186 6.093 425 HB2 ASP 51 2HB ASP 51 -6.874 -3.512 6.491 426 HB3 ASP 51 3HB ASP 51 -8.226 -2.385 6.462 427 H ALA 52 HN ALA 52 -4.317 -2.527 6.203 428 HA ALA 52 HA ALA 52 -3.439 -3.763 3.691 429 HB1 ALA 52 1HB ALA 52 -2.391 -1.625 3.626 430 HB2 ALA 52 2HB ALA 52 -1.878 -1.757 5.307 431 HB3 ALA 52 3HB ALA 52 -1.156 -2.799 4.081 432 H THR 53 HN THR 53 -2.154 -5.556 3.920 433 HA THR 53 HA THR 53 -1.321 -6.338 6.616 434 HB THR 53 HB THR 53 -2.512 -8.497 4.978 435 HG1 THR 53 1HG THR 53 -4.112 -6.975 4.720 436 HG21 THR 53 3HG2 THR 53 -3.510 -9.066 7.231 437 HG22 THR 53 1HG2 THR 53 -2.485 -7.791 7.890 438 HG23 THR 53 2HG2 THR 53 -1.756 -9.181 7.086 439 H LEU 54 HN LEU 54 0.835 -6.421 6.319 440 HA LEU 54 HA LEU 54 1.874 -7.695 3.892 441 HB2 LEU 54 2HB LEU 54 2.979 -5.764 5.882 442 HB3 LEU 54 3HB LEU 54 4.092 -6.784 4.992 443 HG LEU 54 HG LEU 54 2.133 -5.445 3.275 444 HD11 LEU 54 1HD1 LEU 54 4.207 -3.566 4.174 445 HD12 LEU 54 2HD1 LEU 54 2.532 -3.276 3.704 446 HD13 LEU 54 3HD1 LEU 54 2.903 -3.861 5.325 447 HD21 LEU 54 3HD2 LEU 54 4.190 -6.710 2.578 448 HD22 LEU 54 1HD2 LEU 54 4.032 -5.094 1.893 449 HD23 LEU 54 2HD2 LEU 54 5.143 -5.378 3.234 450 H HIS 55 HN HIS 55 3.307 -9.410 3.953 451 HA HIS 55 HA HIS 55 3.396 -10.866 6.510 452 HB2 HIS 55 2HB HIS 55 3.284 -11.784 3.653 453 HB3 HIS 55 3HB HIS 55 3.938 -12.842 4.899 454 HD1 HIS 55 1HD HIS 55 2.275 -14.261 6.064 455 HD2 HIS 55 2HD HIS 55 0.516 -10.929 4.314 456 HE1 HIS 55 1HE HIS 55 -0.197 -14.542 6.421 457 HE2 HIS 55 2HE HIS 55 -1.247 -12.553 5.286 458 H VAL 56 HN VAL 56 5.323 -11.422 7.385 459 HA VAL 56 HA VAL 56 7.746 -11.187 5.761 460 HB VAL 56 HB VAL 56 7.551 -9.876 8.470 461 HG11 VAL 56 1HG1 VAL 56 9.700 -10.346 6.506 462 HG12 VAL 56 2HG1 VAL 56 9.653 -8.740 7.233 463 HG13 VAL 56 3HG1 VAL 56 9.780 -10.170 8.259 464 HG21 VAL 56 3HG2 VAL 56 7.893 -7.798 6.825 465 HG22 VAL 56 1HG2 VAL 56 6.943 -8.841 5.766 466 HG23 VAL 56 2HG2 VAL 56 6.302 -8.361 7.336 467 H ASN 57 HN ASN 57 8.810 -13.029 5.971 468 HA ASN 57 HA ASN 57 9.407 -15.092 6.771 469 HB2 ASN 57 2HB ASN 57 10.177 -13.182 8.972 470 HB3 ASN 57 3HB ASN 57 10.648 -14.880 8.991 471 HD21 ASN 57 1HD2 ASN 57 11.336 -11.780 7.810 472 HD22 ASN 57 2HD2 ASN 57 12.641 -12.205 6.762 473 H GLY 58 HN GLY 58 8.757 -14.102 10.069 474 HA2 GLY 58 2HA GLY 58 6.507 -16.020 10.127 475 HA3 GLY 58 3HA GLY 58 7.707 -15.926 11.406 476 H GLY 59 HN GLY 59 6.436 -13.085 9.827 477 HA2 GLY 59 2HA GLY 59 4.664 -12.560 12.109 478 HA3 GLY 59 3HA GLY 59 5.927 -11.395 11.738 479 H GLU 60 HN GLU 60 3.126 -10.857 11.748 480 HA GLU 60 HA GLU 60 2.848 -9.974 8.972 481 HB2 GLU 60 2HB GLU 60 0.696 -11.396 10.545 482 HB3 GLU 60 3HB GLU 60 0.424 -10.559 9.024 483 HG2 GLU 60 2HG GLU 60 0.987 -12.376 7.907 484 HG3 GLU 60 3HG GLU 60 2.584 -12.354 8.653 485 H ILE 61 HN ILE 61 2.363 -7.886 8.850 486 HA ILE 61 HA ILE 61 1.426 -6.526 11.278 487 HB ILE 61 HB ILE 61 2.449 -5.133 8.819 488 HG12 ILE 61 2HG1 ILE 61 4.581 -5.113 10.539 489 HG13 ILE 61 3HG1 ILE 61 3.960 -6.746 10.763 490 HG21 ILE 61 1HG2 ILE 61 1.244 -4.049 10.876 491 HG22 ILE 61 2HG2 ILE 61 2.833 -4.212 11.627 492 HG23 ILE 61 3HG2 ILE 61 2.650 -3.271 10.147 493 HD11 ILE 61 3HD1 ILE 61 4.015 -6.938 8.229 494 HD12 ILE 61 1HD1 ILE 61 4.990 -5.467 8.258 495 HD13 ILE 61 2HD1 ILE 61 5.563 -6.921 9.076 496 H HIS 62 HN HIS 62 -0.438 -5.305 11.295 497 HA HIS 62 HA HIS 62 -1.976 -5.157 8.801 498 HB2 HIS 62 2HB HIS 62 -2.622 -7.019 10.603 499 HB3 HIS 62 3HB HIS 62 -3.472 -5.658 11.326 500 HD1 HIS 62 1HD HIS 62 -4.864 -8.179 10.025 501 HD2 HIS 62 2HD HIS 62 -4.341 -4.477 8.213 502 HE1 HIS 62 1HE HIS 62 -6.640 -8.042 8.249 503 HE2 HIS 62 2HE HIS 62 -6.357 -5.758 7.224 504 H ALA 63 HN ALA 63 -2.271 -3.070 8.390 505 HA ALA 63 HA ALA 63 -3.084 -1.310 10.599 506 HB1 ALA 63 1HB ALA 63 -1.677 0.376 8.939 507 HB2 ALA 63 2HB ALA 63 -1.104 -0.287 10.470 508 HB3 ALA 63 3HB ALA 63 -0.693 -1.088 8.953 509 H SER 64 HN SER 64 -4.148 0.705 9.823 510 HA SER 64 HA SER 64 -5.329 0.470 7.156 511 HB2 SER 64 2HB SER 64 -7.585 0.856 8.024 512 HB3 SER 64 3HB SER 64 -6.906 -0.616 8.717 513 HG SER 64 HG SER 64 -6.537 0.465 10.622 514 H ALA 65 HN ALA 65 -6.141 2.443 6.310 515 HA ALA 65 HA ALA 65 -5.562 4.856 7.869 516 HB1 ALA 65 1HB ALA 65 -4.679 4.674 5.009 517 HB2 ALA 65 2HB ALA 65 -4.203 5.839 6.245 518 HB3 ALA 65 3HB ALA 65 -3.626 4.174 6.333 519 H GLU 66 HN GLU 66 -6.793 6.645 7.352 520 HA GLU 66 HA GLU 66 -9.013 6.146 5.479 521 HB2 GLU 66 2HB GLU 66 -10.356 7.666 6.857 522 HB3 GLU 66 3HB GLU 66 -9.754 6.311 7.803 523 HG2 GLU 66 2HG GLU 66 -8.864 7.710 9.258 524 HG3 GLU 66 3HG GLU 66 -7.855 8.404 7.989 525 H GLY 67 HN GLY 67 -9.680 7.814 4.102 526 HA2 GLY 67 2HA GLY 67 -8.158 10.304 4.111 527 HA3 GLY 67 3HA GLY 67 -7.960 9.271 2.706 528 H GLN 68 HN GLN 68 -8.956 11.903 2.627 529 HA GLN 68 HA GLN 68 -11.731 12.138 2.615 530 HB2 GLN 68 2HB GLN 68 -10.251 14.064 2.487 531 HB3 GLN 68 3HB GLN 68 -9.678 13.551 0.906 532 HG2 GLN 68 2HG GLN 68 -11.221 15.317 0.575 533 HG3 GLN 68 3HG GLN 68 -12.006 13.825 0.057 534 HE21 GLN 68 1HE2 GLN 68 -13.329 16.228 0.744 535 HE22 GLN 68 2HE2 GLN 68 -14.308 15.915 2.132 536 H ASP 69 HN ASP 69 -9.735 10.338 0.499 537 HA ASP 69 HA ASP 69 -12.031 9.603 -1.086 538 HB2 ASP 69 2HB ASP 69 -10.714 9.980 -3.240 539 HB3 ASP 69 3HB ASP 69 -11.363 11.418 -2.456 540 H MET 70 HN MET 70 -11.204 7.950 -2.857 541 HA MET 70 HA MET 70 -10.056 5.799 -1.446 542 HB2 MET 70 2HB MET 70 -11.630 5.664 -3.428 543 HB3 MET 70 3HB MET 70 -10.243 6.023 -4.449 544 HG2 MET 70 2HG MET 70 -10.112 3.787 -4.569 545 HG3 MET 70 3HG MET 70 -9.243 3.974 -3.046 546 HE1 MET 70 3HE MET 70 -11.779 4.777 -1.090 547 HE2 MET 70 1HE MET 70 -12.005 3.166 -0.408 548 HE3 MET 70 2HE MET 70 -10.377 3.781 -0.694 549 H TYR 71 HN TYR 71 -8.604 8.435 -3.039 550 HA TYR 71 HA TYR 71 -6.124 7.044 -3.618 551 HB2 TYR 71 2HB TYR 71 -6.921 9.949 -3.877 552 HB3 TYR 71 3HB TYR 71 -5.341 9.316 -4.326 553 HD1 TYR 71 1HD TYR 71 -5.666 7.025 -5.851 554 HD2 TYR 71 2HD TYR 71 -8.294 10.366 -5.674 555 HE1 TYR 71 1HE TYR 71 -6.522 6.464 -8.087 556 HE2 TYR 71 2HE TYR 71 -9.158 9.812 -7.909 557 HH TYR 71 HH TYR 71 -8.498 6.844 -9.451 558 H ALA 72 HN ALA 72 -7.393 9.363 -1.289 559 HA ALA 72 HA ALA 72 -4.923 9.881 0.012 560 HB1 ALA 72 1HB ALA 72 -6.430 11.532 0.483 561 HB2 ALA 72 2HB ALA 72 -7.785 10.412 0.604 562 HB3 ALA 72 3HB ALA 72 -6.625 10.533 1.924 563 H ALA 73 HN ALA 73 -7.566 7.606 0.614 564 HA ALA 73 HA ALA 73 -6.726 6.593 3.068 565 HB1 ALA 73 1HB ALA 73 -8.834 6.115 1.464 566 HB2 ALA 73 2HB ALA 73 -7.897 4.644 1.193 567 HB3 ALA 73 3HB ALA 73 -8.390 5.088 2.828 568 H ILE 74 HN ILE 74 -5.768 5.711 -0.211 569 HA ILE 74 HA ILE 74 -4.131 3.507 0.614 570 HB ILE 74 HB ILE 74 -4.066 5.006 -2.008 571 HG12 ILE 74 2HG1 ILE 74 -6.317 4.106 -1.433 572 HG13 ILE 74 3HG1 ILE 74 -5.609 3.343 -2.853 573 HG21 ILE 74 1HG2 ILE 74 -3.201 2.185 -1.401 574 HG22 ILE 74 2HG2 ILE 74 -2.999 3.068 -2.914 575 HG23 ILE 74 3HG2 ILE 74 -2.102 3.561 -1.479 576 HD11 ILE 74 3HD1 ILE 74 -6.103 1.406 -1.896 577 HD12 ILE 74 1HD1 ILE 74 -4.794 1.736 -0.760 578 HD13 ILE 74 2HD1 ILE 74 -6.452 2.177 -0.349 579 H ASP 75 HN ASP 75 -3.676 6.928 0.156 580 HA ASP 75 HA ASP 75 -0.856 6.937 -0.060 581 HB2 ASP 75 2HB ASP 75 -2.499 8.845 -0.565 582 HB3 ASP 75 3HB ASP 75 -2.479 9.160 1.168 583 H GLY 76 HN GLY 76 -2.986 7.557 2.733 584 HA2 GLY 76 2HA GLY 76 -0.852 7.714 4.606 585 HA3 GLY 76 3HA GLY 76 -2.556 7.521 4.993 586 H LEU 77 HN LEU 77 -2.776 5.071 3.369 587 HA LEU 77 HA LEU 77 -2.158 3.193 5.397 588 HB2 LEU 77 2HB LEU 77 -4.041 2.833 3.939 589 HB3 LEU 77 3HB LEU 77 -3.009 2.852 2.524 590 HG LEU 77 HG LEU 77 -2.073 0.729 3.058 591 HD11 LEU 77 1HD1 LEU 77 -3.024 1.370 5.748 592 HD12 LEU 77 2HD1 LEU 77 -3.283 -0.306 5.266 593 HD13 LEU 77 3HD1 LEU 77 -1.661 0.381 5.228 594 HD21 LEU 77 3HD2 LEU 77 -4.209 0.565 1.990 595 HD22 LEU 77 1HD2 LEU 77 -4.104 -0.701 3.214 596 HD23 LEU 77 2HD2 LEU 77 -5.048 0.755 3.529 597 H ILE 78 HN ILE 78 -0.685 3.960 2.279 598 HA ILE 78 HA ILE 78 1.350 1.938 2.555 599 HB ILE 78 HB ILE 78 1.087 4.203 0.574 600 HG12 ILE 78 2HG1 ILE 78 -0.705 2.563 0.384 601 HG13 ILE 78 3HG1 ILE 78 0.400 2.403 -0.979 602 HG21 ILE 78 1HG2 ILE 78 3.243 2.303 1.083 603 HG22 ILE 78 2HG2 ILE 78 2.673 2.285 -0.586 604 HG23 ILE 78 3HG2 ILE 78 3.243 3.790 0.136 605 HD11 ILE 78 3HD1 ILE 78 0.579 0.252 -0.517 606 HD12 ILE 78 1HD1 ILE 78 1.346 0.672 1.015 607 HD13 ILE 78 2HD1 ILE 78 -0.402 0.448 0.935 608 H ASP 79 HN ASP 79 0.918 5.118 3.687 609 HA ASP 79 HA ASP 79 3.687 5.862 3.759 610 HB2 ASP 79 2HB ASP 79 1.397 7.291 3.935 611 HB3 ASP 79 3HB ASP 79 1.802 7.155 5.642 612 H LYS 80 HN LYS 80 1.330 5.087 6.329 613 HA LYS 80 HA LYS 80 3.271 4.844 8.362 614 HB2 LYS 80 2HB LYS 80 1.519 3.965 9.734 615 HB3 LYS 80 3HB LYS 80 0.818 5.219 8.722 616 HG2 LYS 80 2HG LYS 80 -0.078 3.498 7.224 617 HG3 LYS 80 3HG LYS 80 0.608 2.250 8.264 618 HD2 LYS 80 2HD LYS 80 -1.769 2.582 8.728 619 HD3 LYS 80 3HD LYS 80 -0.777 3.021 10.120 620 HE2 LYS 80 2HE LYS 80 -1.182 5.291 8.387 621 HE3 LYS 80 3HE LYS 80 -2.724 4.581 8.860 622 HZ1 LYS 80 3HZ LYS 80 -2.440 5.172 11.001 623 HZ2 LYS 80 1HZ LYS 80 -1.417 6.348 10.343 624 HZ3 LYS 80 2HZ LYS 80 -0.770 4.922 10.983 625 H LEU 81 HN LEU 81 1.837 2.523 6.130 626 HA LEU 81 HA LEU 81 2.782 0.163 7.297 627 HB2 LEU 81 2HB LEU 81 1.983 0.967 4.536 628 HB3 LEU 81 3HB LEU 81 2.788 -0.573 4.759 629 HG LEU 81 HG LEU 81 0.145 -0.342 4.778 630 HD11 LEU 81 1HD1 LEU 81 0.299 -2.317 6.556 631 HD12 LEU 81 2HD1 LEU 81 0.834 -2.494 4.885 632 HD13 LEU 81 3HD1 LEU 81 2.011 -2.173 6.159 633 HD21 LEU 81 3HD2 LEU 81 0.133 1.232 6.682 634 HD22 LEU 81 1HD2 LEU 81 -0.763 -0.249 7.011 635 HD23 LEU 81 2HD2 LEU 81 0.847 -0.022 7.693 636 H ALA 82 HN ALA 82 4.255 2.220 4.793 637 HA ALA 82 HA ALA 82 6.558 0.739 4.330 638 HB1 ALA 82 1HB ALA 82 7.529 2.747 3.440 639 HB2 ALA 82 2HB ALA 82 5.816 2.716 3.020 640 HB3 ALA 82 3HB ALA 82 6.383 3.749 4.333 641 H ARG 83 HN ARG 83 6.276 3.561 6.501 642 HA ARG 83 HA ARG 83 8.775 3.457 7.652 643 HB2 ARG 83 2HB ARG 83 6.131 4.497 8.499 644 HB3 ARG 83 3HB ARG 83 7.339 4.310 9.764 645 HG2 ARG 83 2HG ARG 83 8.290 5.638 7.323 646 HG3 ARG 83 3HG ARG 83 7.055 6.513 8.229 647 HD2 ARG 83 2HD ARG 83 8.710 7.249 9.528 648 HD3 ARG 83 3HD ARG 83 8.784 5.615 10.187 649 HE ARG 83 HE ARG 83 10.749 5.277 9.055 650 HH11 ARG 83 2HH1 ARG 83 9.200 8.150 7.818 651 HH12 ARG 83 1HH1 ARG 83 10.564 8.625 6.862 652 HH21 ARG 83 2HH2 ARG 83 12.543 5.900 7.800 653 HH22 ARG 83 1HH2 ARG 83 12.462 7.348 6.852 654 H GLN 84 HN GLN 84 5.978 1.466 8.339 655 HA GLN 84 HA GLN 84 7.039 0.330 10.744 656 HB2 GLN 84 2HB GLN 84 4.685 -0.207 8.985 657 HB3 GLN 84 3HB GLN 84 5.185 -1.449 10.126 658 HG2 GLN 84 2HG GLN 84 4.412 1.380 10.798 659 HG3 GLN 84 3HG GLN 84 3.443 -0.066 11.073 660 HE21 GLN 84 1HE2 GLN 84 4.334 1.871 13.010 661 HE22 GLN 84 2HE2 GLN 84 5.305 1.019 14.158 662 H LEU 85 HN LEU 85 6.784 -0.721 7.372 663 HA LEU 85 HA LEU 85 7.873 -3.280 7.683 664 HB2 LEU 85 2HB LEU 85 7.603 -1.380 5.402 665 HB3 LEU 85 3HB LEU 85 8.654 -2.768 5.202 666 HG LEU 85 HG LEU 85 6.285 -3.020 4.353 667 HD11 LEU 85 1HD1 LEU 85 7.842 -4.861 6.006 668 HD12 LEU 85 2HD1 LEU 85 6.139 -5.292 5.848 669 HD13 LEU 85 3HD1 LEU 85 7.134 -5.086 4.406 670 HD21 LEU 85 3HD2 LEU 85 5.755 -2.791 7.286 671 HD22 LEU 85 1HD2 LEU 85 4.870 -2.100 5.926 672 HD23 LEU 85 2HD2 LEU 85 4.735 -3.820 6.284 673 H THR 86 HN THR 86 9.447 -0.172 7.039 674 HA THR 86 HA THR 86 12.061 -1.193 6.737 675 HB THR 86 HB THR 86 11.515 1.540 7.851 676 HG1 THR 86 1HG THR 86 10.415 2.068 6.167 677 HG21 THR 86 3HG2 THR 86 13.242 2.158 6.145 678 HG22 THR 86 1HG2 THR 86 13.505 0.432 5.897 679 HG23 THR 86 2HG2 THR 86 13.812 1.153 7.477 680 H LYS 87 HN LYS 87 10.258 -0.037 9.547 681 HA LYS 87 HA LYS 87 12.285 0.049 11.429 682 HB2 LYS 87 2HB LYS 87 9.568 0.376 11.477 683 HB3 LYS 87 3HB LYS 87 9.767 -1.088 12.429 684 HG2 LYS 87 2HG LYS 87 11.554 1.185 13.058 685 HG3 LYS 87 3HG LYS 87 9.852 1.342 13.495 686 HD2 LYS 87 2HD LYS 87 11.051 -1.243 14.194 687 HD3 LYS 87 3HD LYS 87 11.760 0.139 15.032 688 HE2 LYS 87 2HE LYS 87 9.212 0.774 15.368 689 HE3 LYS 87 3HE LYS 87 9.003 -0.967 15.172 690 HZ1 LYS 87 3HZ LYS 87 9.465 0.122 17.508 691 HZ2 LYS 87 1HZ LYS 87 11.076 -0.051 17.018 692 HZ3 LYS 87 2HZ LYS 87 10.068 -1.407 17.111 693 H HIS 88 HN HIS 88 10.069 -2.707 10.905 694 HA HIS 88 HA HIS 88 11.611 -4.459 12.520 695 HB2 HIS 88 2HB HIS 88 10.050 -6.130 11.980 696 HB3 HIS 88 3HB HIS 88 9.122 -4.639 11.945 697 HD1 HIS 88 1HD HIS 88 7.484 -4.738 10.115 698 HD2 HIS 88 2HD HIS 88 11.066 -6.556 9.051 699 HE1 HIS 88 1HE HIS 88 7.162 -5.527 7.752 700 HE2 HIS 88 2HE HIS 88 9.384 -6.508 7.089 701 H LYS 89 HN LYS 89 11.683 -3.631 9.141 702 HA LYS 89 HA LYS 89 13.115 -5.881 8.206 703 HB2 LYS 89 2HB LYS 89 11.921 -4.320 6.719 704 HB3 LYS 89 3HB LYS 89 13.088 -3.064 7.109 705 HG2 LYS 89 2HG LYS 89 14.260 -5.562 6.120 706 HG3 LYS 89 3HG LYS 89 13.240 -4.708 4.963 707 HD2 LYS 89 2HD LYS 89 14.614 -2.623 5.760 708 HD3 LYS 89 3HD LYS 89 15.789 -3.844 6.253 709 HE2 LYS 89 2HE LYS 89 16.107 -4.593 4.066 710 HE3 LYS 89 3HE LYS 89 14.608 -3.858 3.498 711 HZ1 LYS 89 3HZ LYS 89 15.950 -1.708 4.325 712 HZ2 LYS 89 1HZ LYS 89 16.003 -2.292 2.737 713 HZ3 LYS 89 2HZ LYS 89 17.238 -2.684 3.823 714 H ASP 90 HN ASP 90 14.076 -3.133 10.045 715 HA ASP 90 HA ASP 90 16.840 -3.166 9.307 716 HB2 ASP 90 2HB ASP 90 15.175 -1.770 11.339 717 HB3 ASP 90 3HB ASP 90 16.902 -1.893 11.659 718 H LYS 91 HN LYS 91 14.881 -4.937 11.536 719 HA LYS 91 HA LYS 91 16.556 -5.697 13.546 720 HB2 LYS 91 2HB LYS 91 14.388 -7.099 12.066 721 HB3 LYS 91 3HB LYS 91 15.389 -8.057 13.146 722 HG2 LYS 91 2HG LYS 91 14.801 -6.655 15.014 723 HG3 LYS 91 3HG LYS 91 13.901 -5.569 13.954 724 HD2 LYS 91 2HD LYS 91 12.081 -6.840 14.113 725 HD3 LYS 91 3HD LYS 91 12.982 -8.267 13.598 726 HE2 LYS 91 2HE LYS 91 13.359 -8.967 15.736 727 HE3 LYS 91 3HE LYS 91 13.358 -7.331 16.389 728 HZ1 LYS 91 3HZ LYS 91 10.845 -8.394 15.330 729 HZ2 LYS 91 1HZ LYS 91 11.107 -7.318 16.609 730 HZ3 LYS 91 2HZ LYS 91 11.381 -8.973 16.826 731 H LEU 92 HN LEU 92 16.732 -6.656 10.195 732 HA LEU 92 HA LEU 92 18.564 -8.811 10.597 733 HB2 LEU 92 2HB LEU 92 17.889 -7.214 8.125 734 HB3 LEU 92 3HB LEU 92 18.897 -8.649 8.134 735 HG LEU 92 HG LEU 92 15.968 -8.520 8.857 736 HD11 LEU 92 1HD1 LEU 92 16.955 -10.249 6.689 737 HD12 LEU 92 2HD1 LEU 92 15.489 -9.274 6.792 738 HD13 LEU 92 3HD1 LEU 92 17.026 -8.514 6.379 739 HD21 LEU 92 3HD2 LEU 92 16.112 -10.959 9.046 740 HD22 LEU 92 1HD2 LEU 92 17.856 -10.872 8.810 741 HD23 LEU 92 2HD2 LEU 92 17.125 -10.151 10.243 742 H LYS 93 HN LYS 93 19.148 -5.826 8.747 743 HA LYS 93 HA LYS 93 21.013 -4.551 8.480 744 HB2 LYS 93 2HB LYS 93 20.533 -4.812 11.268 745 HB3 LYS 93 3HB LYS 93 22.275 -4.864 11.027 746 HG2 LYS 93 2HG LYS 93 22.374 -2.686 10.593 747 HG3 LYS 93 3HG LYS 93 21.020 -2.768 9.465 748 HD2 LYS 93 2HD LYS 93 19.530 -2.895 11.537 749 HD3 LYS 93 3HD LYS 93 20.955 -2.390 12.446 750 HE2 LYS 93 2HE LYS 93 20.136 -0.831 10.040 751 HE3 LYS 93 3HE LYS 93 19.235 -0.624 11.541 752 HZ1 LYS 93 3HZ LYS 93 21.938 0.197 10.874 753 HZ2 LYS 93 1HZ LYS 93 21.730 -0.426 12.434 754 HZ3 LYS 93 2HZ LYS 93 20.819 0.905 11.925 755 H GLN 94 HN GLN 94 21.206 -7.394 7.871 756 HA GLN 94 HA GLN 94 23.736 -8.382 8.718 757 HB2 GLN 94 2HB GLN 94 23.421 -10.090 6.994 758 HB3 GLN 94 3HB GLN 94 21.959 -9.877 7.945 759 HG2 GLN 94 2HG GLN 94 21.302 -8.237 6.022 760 HG3 GLN 94 3HG GLN 94 22.499 -9.153 5.110 761 HE21 GLN 94 1HE2 GLN 94 21.157 -10.198 3.738 762 HE22 GLN 94 2HE2 GLN 94 19.961 -11.342 4.235 763 H HIS 95 HN HIS 95 22.604 -6.706 5.813 764 HA HIS 95 HA HIS 95 25.348 -5.879 5.272 765 HB2 HIS 95 2HB HIS 95 23.604 -7.292 3.245 766 HB3 HIS 95 3HB HIS 95 25.100 -6.451 2.855 767 HD1 HIS 95 1HD HIS 95 26.910 -7.473 5.099 768 HD2 HIS 95 2HD HIS 95 24.320 -9.894 2.934 769 HE1 HIS 95 1HE HIS 95 27.839 -9.801 5.304 770 HE2 HIS 95 2HE HIS 95 26.207 -11.262 4.057
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