NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
20169 | 2f77 | 6401 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 HT1 MET 1 70.698 -6.461 0.150 2 2H MET 1 HT2 MET 1 70.428 -7.116 -1.395 3 3H MET 1 HT3 MET 1 71.933 -6.428 -1.012 4 HA MET 1 HA MET 1 72.679 -8.250 0.030 5 1HB MET 1 HB2 MET 1 69.814 -8.603 0.961 6 2HB MET 1 HB1 MET 1 71.129 -9.698 1.391 7 1HG MET 1 HG2 MET 1 72.378 -7.731 2.327 8 2HG MET 1 HG1 MET 1 70.949 -6.741 2.032 9 1HE MET 1 HE1 MET 1 68.840 -6.897 2.966 10 2HE MET 1 HE2 MET 1 68.303 -7.826 4.363 11 3HE MET 1 HE3 MET 1 68.436 -8.611 2.791 12 H GLY 2 HN GLY 2 69.890 -10.182 -0.171 13 1HA GLY 2 HA2 GLY 2 69.069 -11.624 -1.869 14 2HA GLY 2 HA1 GLY 2 70.168 -10.851 -3.012 15 H GLN 3 HN GLN 3 71.781 -11.715 -0.173 16 HA GLN 3 HA GLN 3 72.625 -14.329 -1.355 17 1HB GLN 3 HB2 GLN 3 74.377 -12.134 -0.213 18 2HB GLN 3 HB1 GLN 3 74.950 -13.771 -0.537 19 1HG GLN 3 HG2 GLN 3 74.379 -13.542 -2.902 20 2HG GLN 3 HG1 GLN 3 73.699 -11.941 -2.608 21 1HE2 GLN 3 HE21 GLN 3 76.184 -12.934 -4.204 22 2HE2 GLN 3 HE22 GLN 3 77.432 -11.924 -3.651 23 H GLU 4 HN GLU 4 73.245 -15.923 0.199 24 HA GLU 4 HA GLU 4 71.805 -15.939 2.637 25 1HB GLU 4 HB2 GLU 4 74.271 -17.497 1.810 26 2HB GLU 4 HB1 GLU 4 73.327 -17.846 3.259 27 1HG GLU 4 HG2 GLU 4 71.316 -18.196 1.864 28 2HG GLU 4 HG1 GLU 4 72.267 -17.859 0.416 29 H LEU 5 HN LEU 5 72.332 -15.304 4.721 30 HA LEU 5 HA LEU 5 74.705 -13.562 4.989 31 1HB LEU 5 HB2 LEU 5 72.296 -14.093 6.739 32 2HB LEU 5 HB1 LEU 5 73.662 -13.121 7.285 33 HG LEU 5 HG LEU 5 72.136 -12.567 4.729 34 1HD1 LEU 5 HD11 LEU 5 70.487 -11.824 6.090 35 2HD1 LEU 5 HD12 LEU 5 71.595 -10.519 6.518 36 3HD1 LEU 5 HD13 LEU 5 71.501 -11.964 7.526 37 1HD2 LEU 5 HD21 LEU 5 73.288 -10.235 5.530 38 2HD2 LEU 5 HD22 LEU 5 74.065 -11.371 4.429 39 3HD2 LEU 5 HD23 LEU 5 74.465 -11.395 6.146 40 H SER 6 HN SER 6 76.531 -14.776 5.350 41 HA SER 6 HA SER 6 76.437 -17.185 7.020 42 1HB SER 6 HB2 SER 6 78.950 -17.137 6.628 43 2HB SER 6 HB1 SER 6 77.965 -17.244 5.171 44 HG SER 6 HG SER 6 78.442 -14.680 6.021 45 H GLN 7 HN GLN 7 78.109 -17.357 8.851 46 HA GLN 7 HA GLN 7 77.511 -15.531 10.909 47 1HB GLN 7 HB2 GLN 7 79.959 -17.287 10.556 48 2HB GLN 7 HB1 GLN 7 79.536 -16.463 12.057 49 1HG GLN 7 HG2 GLN 7 77.376 -17.661 12.106 50 2HG GLN 7 HG1 GLN 7 77.809 -18.496 10.614 51 1HE2 GLN 7 HE21 GLN 7 77.430 -20.378 12.353 52 2HE2 GLN 7 HE22 GLN 7 78.832 -20.903 13.153 53 H HIS 8 HN HIS 8 80.256 -15.546 8.644 54 HA HIS 8 HA HIS 8 81.603 -13.294 9.813 55 1HB HIS 8 HB2 HIS 8 82.691 -14.862 8.226 56 2HB HIS 8 HB1 HIS 8 81.650 -14.259 6.937 57 HD2 HIS 8 HD2 HIS 8 82.647 -12.003 5.668 58 HE1 HIS 8 HE1 HIS 8 85.575 -10.973 8.531 59 HE2 HIS 8 HE2 HIS 8 84.618 -10.398 6.253 60 H GLU 9 HN GLU 9 79.283 -13.558 7.110 61 HA GLU 9 HA GLU 9 79.262 -10.773 6.463 62 1HB GLU 9 HB2 GLU 9 77.168 -12.935 6.112 63 2HB GLU 9 HB1 GLU 9 76.996 -11.304 5.461 64 1HG GLU 9 HG2 GLU 9 79.082 -11.585 4.182 65 2HG GLU 9 HG1 GLU 9 79.274 -13.210 4.841 66 H ARG 10 HN ARG 10 77.451 -12.680 8.829 67 HA ARG 10 HA ARG 10 75.586 -10.625 9.561 68 1HB ARG 10 HB2 ARG 10 76.675 -13.015 11.069 69 2HB ARG 10 HB1 ARG 10 75.416 -11.963 11.715 70 1HG ARG 10 HG2 ARG 10 73.971 -12.457 9.808 71 2HG ARG 10 HG1 ARG 10 75.241 -13.432 9.068 72 1HD ARG 10 HD2 ARG 10 75.171 -14.999 10.953 73 2HD ARG 10 HD1 ARG 10 73.952 -14.008 11.753 74 HE ARG 10 HE ARG 10 72.900 -14.628 9.224 75 1HH1 ARG 10 HH21 ARG 10 74.032 -16.247 12.049 76 2HH1 ARG 10 HH22 ARG 10 72.973 -17.604 11.858 77 1HH2 ARG 10 HH11 ARG 10 71.509 -16.391 8.958 78 2HH2 ARG 10 HH12 ARG 10 71.544 -17.686 10.108 79 H TYR 11 HN TYR 11 78.853 -11.424 10.682 80 HA TYR 11 HA TYR 11 78.918 -9.656 12.922 81 1HB TYR 11 HB2 TYR 11 80.667 -11.317 12.601 82 2HB TYR 11 HB1 TYR 11 81.144 -10.571 11.075 83 HD1 TYR 11 HD1 TYR 11 82.438 -8.527 11.019 84 HD2 TYR 11 HD2 TYR 11 81.087 -10.167 14.752 85 HE1 TYR 11 HE1 TYR 11 83.949 -6.988 12.242 86 HE2 TYR 11 HE2 TYR 11 82.599 -8.628 15.976 87 HH TYR 11 HH TYR 11 83.864 -5.961 14.781 88 H VAL 12 HN VAL 12 79.691 -9.127 9.484 89 HA VAL 12 HA VAL 12 80.641 -6.457 9.731 90 HB VAL 12 HB VAL 12 79.006 -7.498 7.406 91 1HG1 VAL 12 HG11 VAL 12 79.765 -5.663 6.331 92 2HG1 VAL 12 HG12 VAL 12 81.419 -5.956 6.868 93 3HG1 VAL 12 HG13 VAL 12 80.300 -5.068 7.903 94 1HG2 VAL 12 HG21 VAL 12 81.802 -8.157 8.307 95 2HG2 VAL 12 HG22 VAL 12 81.412 -8.139 6.588 96 3HG2 VAL 12 HG23 VAL 12 80.560 -9.236 7.673 97 H GLU 13 HN GLU 13 77.341 -7.719 9.273 98 HA GLU 13 HA GLU 13 76.002 -5.244 8.994 99 1HB GLU 13 HB2 GLU 13 74.934 -7.481 8.696 100 2HB GLU 13 HB1 GLU 13 74.985 -7.706 10.446 101 1HG GLU 13 HG2 GLU 13 73.602 -5.685 10.751 102 2HG GLU 13 HG1 GLU 13 73.547 -5.460 9.003 103 H GLN 14 HN GLN 14 76.777 -7.069 11.974 104 HA GLN 14 HA GLN 14 75.642 -5.144 13.770 105 1HB GLN 14 HB2 GLN 14 76.309 -7.486 14.396 106 2HB GLN 14 HB1 GLN 14 77.997 -6.986 14.290 107 1HG GLN 14 HG2 GLN 14 77.585 -5.255 16.010 108 2HG GLN 14 HG1 GLN 14 75.908 -5.788 16.134 109 1HE2 GLN 14 HE21 GLN 14 76.013 -6.638 18.287 110 2HE2 GLN 14 HE22 GLN 14 76.988 -7.962 18.707 111 H LEU 15 HN LEU 15 78.861 -5.478 12.315 112 HA LEU 15 HA LEU 15 80.134 -3.408 13.815 113 1HB LEU 15 HB2 LEU 15 81.438 -4.961 12.452 114 2HB LEU 15 HB1 LEU 15 80.649 -4.376 10.986 115 HG LEU 15 HG LEU 15 81.593 -2.137 11.351 116 1HD1 LEU 15 HD11 LEU 15 81.836 -1.799 13.632 117 2HD1 LEU 15 HD12 LEU 15 83.501 -2.185 13.198 118 3HD1 LEU 15 HD13 LEU 15 82.467 -3.423 13.910 119 1HD2 LEU 15 HD21 LEU 15 83.983 -3.872 11.729 120 2HD2 LEU 15 HD22 LEU 15 83.647 -2.683 10.472 121 3HD2 LEU 15 HD23 LEU 15 82.915 -4.285 10.389 122 H LYS 16 HN LYS 16 78.289 -3.358 10.779 123 HA LYS 16 HA LYS 16 78.678 -0.617 10.135 124 1HB LYS 16 HB2 LYS 16 77.626 -2.320 8.627 125 2HB LYS 16 HB1 LYS 16 76.183 -2.268 9.641 126 1HG LYS 16 HG2 LYS 16 75.944 0.144 9.191 127 2HG LYS 16 HG1 LYS 16 77.389 0.100 8.180 128 1HD LYS 16 HD2 LYS 16 76.287 -1.537 6.687 129 2HD LYS 16 HD1 LYS 16 74.834 -1.458 7.685 130 1HE LYS 16 HE2 LYS 16 74.567 0.913 7.182 131 2HE LYS 16 HE1 LYS 16 76.083 0.921 6.281 132 1HZ LYS 16 HZ1 LYS 16 73.664 0.498 5.195 133 2HZ LYS 16 HZ2 LYS 16 74.198 -1.096 5.439 134 3HZ LYS 16 HZ3 LYS 16 75.126 -0.019 4.510 135 H GLN 17 HN GLN 17 76.344 -2.202 12.287 136 HA GLN 17 HA GLN 17 74.701 0.057 12.814 137 1HB GLN 17 HB2 GLN 17 75.481 -2.259 14.610 138 2HB GLN 17 HB1 GLN 17 74.212 -1.096 14.993 139 1HG GLN 17 HG2 GLN 17 73.017 -1.712 12.924 140 2HG GLN 17 HG1 GLN 17 74.283 -2.879 12.540 141 1HE2 GLN 17 HE21 GLN 17 71.236 -2.722 13.853 142 2HE2 GLN 17 HE22 GLN 17 71.300 -4.073 14.878 143 H ALA 18 HN ALA 18 77.677 -1.066 14.430 144 HA ALA 18 HA ALA 18 77.796 1.048 16.355 145 1HB ALA 18 HB1 ALA 18 79.606 -1.034 15.323 146 2HB ALA 18 HB2 ALA 18 79.381 -0.458 16.975 147 3HB ALA 18 HB3 ALA 18 80.432 0.425 15.869 148 H LEU 19 HN LEU 19 78.977 0.782 13.022 149 HA LEU 19 HA LEU 19 80.485 3.209 12.991 150 1HB LEU 19 HB2 LEU 19 79.022 1.740 10.779 151 2HB LEU 19 HB1 LEU 19 80.089 3.117 10.501 152 HG LEU 19 HG LEU 19 80.933 0.578 11.926 153 1HD1 LEU 19 HD11 LEU 19 81.198 -0.360 9.898 154 2HD1 LEU 19 HD12 LEU 19 82.277 0.957 9.442 155 3HD1 LEU 19 HD13 LEU 19 80.547 1.088 9.130 156 1HD2 LEU 19 HD21 LEU 19 82.542 2.048 12.615 157 2HD2 LEU 19 HD22 LEU 19 82.175 3.202 11.332 158 3HD2 LEU 19 HD23 LEU 19 83.186 1.797 10.991 159 H LYS 20 HN LYS 20 77.053 2.532 12.383 160 HA LYS 20 HA LYS 20 76.289 5.107 11.466 161 1HB LYS 20 HB2 LYS 20 74.782 3.025 13.071 162 2HB LYS 20 HB1 LYS 20 74.025 4.493 12.450 163 1HG LYS 20 HG2 LYS 20 74.751 3.857 10.151 164 2HG LYS 20 HG1 LYS 20 75.401 2.351 10.800 165 1HD LYS 20 HD2 LYS 20 73.147 1.751 11.636 166 2HD LYS 20 HD1 LYS 20 72.504 3.238 10.938 167 1HE LYS 20 HE2 LYS 20 73.297 2.481 8.695 168 2HE LYS 20 HE1 LYS 20 73.806 0.957 9.423 169 1HZ LYS 20 HZ1 LYS 20 71.037 1.998 9.611 170 2HZ LYS 20 HZ2 LYS 20 71.591 0.439 10.000 171 3HZ LYS 20 HZ3 LYS 20 71.548 0.949 8.380 172 H THR 21 HN THR 21 76.571 3.820 14.773 173 HA THR 21 HA THR 21 75.619 6.167 16.106 174 HB THR 21 HB THR 21 76.771 5.246 18.091 175 HG1 THR 21 HG1 THR 21 78.362 4.250 16.251 176 1HG2 THR 21 HG21 THR 21 75.838 2.761 17.667 177 2HG2 THR 21 HG22 THR 21 75.086 3.577 16.295 178 3HG2 THR 21 HG23 THR 21 74.768 4.137 17.938 179 H ARG 22 HN ARG 22 78.765 5.272 14.798 180 HA ARG 22 HA ARG 22 80.200 7.456 16.064 181 1HB ARG 22 HB2 ARG 22 80.841 5.726 13.657 182 2HB ARG 22 HB1 ARG 22 81.956 6.909 14.342 183 1HG ARG 22 HG2 ARG 22 81.905 5.740 16.500 184 2HG ARG 22 HG1 ARG 22 80.750 4.574 15.854 185 1HD ARG 22 HD2 ARG 22 82.412 3.884 14.152 186 2HD ARG 22 HD1 ARG 22 83.570 5.028 14.833 187 HE ARG 22 HE ARG 22 82.694 3.337 16.939 188 1HH1 ARG 22 HH21 ARG 22 84.413 3.234 13.950 189 2HH1 ARG 22 HH22 ARG 22 85.419 1.907 14.424 190 1HH2 ARG 22 HH11 ARG 22 83.998 1.605 17.571 191 2HH2 ARG 22 HH12 ARG 22 85.185 0.984 16.473 192 H GLY 23 HN GLY 23 78.096 7.183 13.348 193 1HA GLY 23 HA2 GLY 23 77.204 9.334 12.465 194 2HA GLY 23 HA1 GLY 23 78.850 9.965 12.545 195 H VAL 24 HN VAL 24 77.583 6.876 11.276 196 HA VAL 24 HA VAL 24 78.781 7.620 8.637 197 HB VAL 24 HB VAL 24 78.754 4.960 10.081 198 1HG1 VAL 24 HG11 VAL 24 80.062 4.417 7.787 199 2HG1 VAL 24 HG12 VAL 24 78.912 5.608 7.178 200 3HG1 VAL 24 HG13 VAL 24 78.329 4.146 7.974 201 1HG2 VAL 24 HG21 VAL 24 80.584 6.728 10.448 202 2HG2 VAL 24 HG22 VAL 24 81.055 6.428 8.775 203 3HG2 VAL 24 HG23 VAL 24 81.129 5.123 9.960 204 H LYS 25 HN LYS 25 77.402 7.451 6.909 205 HA LYS 25 HA LYS 25 74.889 5.883 7.283 206 1HB LYS 25 HB2 LYS 25 75.124 8.715 6.217 207 2HB LYS 25 HB1 LYS 25 73.662 7.732 6.112 208 1HG LYS 25 HG2 LYS 25 73.643 7.520 8.583 209 2HG LYS 25 HG1 LYS 25 75.074 8.548 8.670 210 1HD LYS 25 HD2 LYS 25 73.838 10.388 7.605 211 2HD LYS 25 HD1 LYS 25 72.406 9.364 7.481 212 1HE LYS 25 HE2 LYS 25 72.337 9.154 9.937 213 2HE LYS 25 HE1 LYS 25 73.771 10.171 10.067 214 1HZ LYS 25 HZ1 LYS 25 71.899 11.552 10.401 215 2HZ LYS 25 HZ2 LYS 25 71.099 10.935 9.035 216 3HZ LYS 25 HZ3 LYS 25 72.480 11.905 8.847 217 H VAL 26 HN VAL 26 75.637 4.257 5.870 218 HA VAL 26 HA VAL 26 75.836 5.103 3.018 219 HB VAL 26 HB VAL 26 77.629 3.405 2.689 220 1HG1 VAL 26 HG11 VAL 26 78.040 5.882 3.268 221 2HG1 VAL 26 HG12 VAL 26 79.392 4.773 3.506 222 3HG1 VAL 26 HG13 VAL 26 78.439 5.312 4.889 223 1HG2 VAL 26 HG21 VAL 26 78.782 2.611 4.807 224 2HG2 VAL 26 HG22 VAL 26 77.191 1.905 4.523 225 3HG2 VAL 26 HG23 VAL 26 77.382 3.202 5.703 226 H LYS 27 HN LYS 27 75.336 3.291 1.521 227 HA LYS 27 HA LYS 27 73.031 1.802 2.457 228 1HB LYS 27 HB2 LYS 27 74.590 1.703 -0.142 229 2HB LYS 27 HB1 LYS 27 73.101 0.803 0.148 230 1HG LYS 27 HG2 LYS 27 71.875 2.875 0.538 231 2HG LYS 27 HG1 LYS 27 73.360 3.815 0.379 232 1HD LYS 27 HD2 LYS 27 73.597 3.115 -1.950 233 2HD LYS 27 HD1 LYS 27 72.177 2.078 -1.808 234 1HE LYS 27 HE2 LYS 27 71.546 4.186 -2.877 235 2HE LYS 27 HE1 LYS 27 70.799 4.083 -1.283 236 1HZ LYS 27 HZ1 LYS 27 72.907 5.309 -0.517 237 2HZ LYS 27 HZ2 LYS 27 71.692 6.196 -1.306 238 3HZ LYS 27 HZ3 LYS 27 73.087 5.724 -2.152 239 H TYR 28 HN TYR 28 72.854 -0.508 2.615 240 HA TYR 28 HA TYR 28 75.122 -1.800 3.810 241 1HB TYR 28 HB2 TYR 28 72.738 -2.405 4.276 242 2HB TYR 28 HB1 TYR 28 72.633 -3.095 2.657 243 HD1 TYR 28 HD1 TYR 28 74.344 -3.375 5.944 244 HD2 TYR 28 HD2 TYR 28 73.578 -5.235 2.147 245 HE1 TYR 28 HE1 TYR 28 75.333 -5.490 6.780 246 HE2 TYR 28 HE2 TYR 28 74.568 -7.349 2.984 247 HH TYR 28 HH TYR 28 76.133 -8.087 4.712 248 H ALA 29 HN ALA 29 73.682 -1.960 0.567 249 HA ALA 29 HA ALA 29 75.190 -4.092 -0.493 250 1HB ALA 29 HB1 ALA 29 73.679 -3.410 -2.071 251 2HB ALA 29 HB2 ALA 29 75.036 -2.436 -2.640 252 3HB ALA 29 HB3 ALA 29 73.805 -1.714 -1.603 253 H ASP 30 HN ASP 30 76.109 -0.742 0.103 254 HA ASP 30 HA ASP 30 78.524 -0.709 -1.412 255 1HB ASP 30 HB2 ASP 30 77.774 0.742 1.144 256 2HB ASP 30 HB1 ASP 30 79.221 1.094 0.198 257 H LEU 31 HN LEU 31 77.814 -1.846 1.869 258 HA LEU 31 HA LEU 31 80.511 -2.337 2.672 259 1HB LEU 31 HB2 LEU 31 77.844 -3.478 3.482 260 2HB LEU 31 HB1 LEU 31 79.336 -4.156 4.134 261 HG LEU 31 HG LEU 31 78.319 -2.329 5.552 262 1HD1 LEU 31 HD11 LEU 31 80.407 -1.741 6.258 263 2HD1 LEU 31 HD12 LEU 31 80.901 -1.194 4.655 264 3HD1 LEU 31 HD13 LEU 31 80.935 -2.913 5.049 265 1HD2 LEU 31 HD21 LEU 31 79.295 -0.506 3.338 266 2HD2 LEU 31 HD22 LEU 31 78.386 -0.058 4.782 267 3HD2 LEU 31 HD23 LEU 31 77.605 -0.987 3.502 268 H LEU 32 HN LEU 32 78.122 -4.445 1.061 269 HA LEU 32 HA LEU 32 79.829 -6.737 0.879 270 1HB LEU 32 HB2 LEU 32 77.521 -5.841 -0.875 271 2HB LEU 32 HB1 LEU 32 78.282 -7.430 -0.969 272 HG LEU 32 HG LEU 32 77.034 -6.289 1.546 273 1HD1 LEU 32 HD11 LEU 32 75.955 -8.041 -0.650 274 2HD1 LEU 32 HD12 LEU 32 75.183 -6.677 0.158 275 3HD1 LEU 32 HD13 LEU 32 75.356 -8.217 0.999 276 1HD2 LEU 32 HD21 LEU 32 77.116 -8.969 1.877 277 2HD2 LEU 32 HD22 LEU 32 78.437 -7.911 2.370 278 3HD2 LEU 32 HD23 LEU 32 78.521 -8.766 0.830 279 H LYS 33 HN LYS 33 79.285 -3.988 -1.320 280 HA LYS 33 HA LYS 33 80.963 -4.940 -3.434 281 1HB LYS 33 HB2 LYS 33 80.229 -2.123 -2.586 282 2HB LYS 33 HB1 LYS 33 81.097 -2.505 -4.072 283 1HG LYS 33 HG2 LYS 33 79.231 -3.891 -4.842 284 2HG LYS 33 HG1 LYS 33 78.367 -3.597 -3.333 285 1HD LYS 33 HD2 LYS 33 78.309 -1.181 -3.830 286 2HD LYS 33 HD1 LYS 33 79.172 -1.472 -5.341 287 1HE LYS 33 HE2 LYS 33 77.318 -2.931 -6.103 288 2HE LYS 33 HE1 LYS 33 76.448 -2.588 -4.608 289 1HZ LYS 33 HZ1 LYS 33 76.148 -1.174 -6.836 290 2HZ LYS 33 HZ2 LYS 33 77.385 -0.276 -6.094 291 3HZ LYS 33 HZ3 LYS 33 75.911 -0.526 -5.286 292 H PHE 34 HN PHE 34 81.651 -3.136 -0.468 293 HA PHE 34 HA PHE 34 84.312 -2.348 -1.027 294 1HB PHE 34 HB2 PHE 34 83.184 -1.565 0.977 295 2HB PHE 34 HB1 PHE 34 83.048 -3.213 1.591 296 HD1 PHE 34 HD1 PHE 34 84.573 -3.785 3.244 297 HD2 PHE 34 HD2 PHE 34 85.755 -1.014 0.182 298 HE1 PHE 34 HE1 PHE 34 86.813 -3.584 4.290 299 HE2 PHE 34 HE2 PHE 34 87.993 -0.812 1.228 300 HZ PHE 34 HZ PHE 34 88.523 -2.097 3.282 301 H PHE 35 HN PHE 35 83.138 -5.374 0.480 302 HA PHE 35 HA PHE 35 85.691 -6.598 0.768 303 1HB PHE 35 HB2 PHE 35 82.928 -7.769 0.366 304 2HB PHE 35 HB1 PHE 35 84.352 -8.765 0.667 305 HD1 PHE 35 HD1 PHE 35 81.794 -6.715 2.152 306 HD2 PHE 35 HD2 PHE 35 85.747 -8.278 2.764 307 HE1 PHE 35 HE1 PHE 35 81.590 -6.274 4.584 308 HE2 PHE 35 HE2 PHE 35 85.544 -7.838 5.196 309 HZ PHE 35 HZ PHE 35 83.466 -6.836 6.107 310 H ASP 36 HN ASP 36 83.386 -6.627 -1.947 311 HA ASP 36 HA ASP 36 84.798 -8.475 -3.588 312 1HB ASP 36 HB2 ASP 36 82.995 -6.143 -4.290 313 2HB ASP 36 HB1 ASP 36 83.620 -7.275 -5.492 314 H PHE 37 HN PHE 37 85.043 -4.928 -3.334 315 HA PHE 37 HA PHE 37 86.987 -4.577 -5.390 316 1HB PHE 37 HB2 PHE 37 85.697 -2.734 -4.264 317 2HB PHE 37 HB1 PHE 37 86.725 -2.947 -2.847 318 HD1 PHE 37 HD1 PHE 37 86.574 -1.780 -6.329 319 HD2 PHE 37 HD2 PHE 37 89.110 -2.373 -2.913 320 HE1 PHE 37 HE1 PHE 37 88.310 -0.345 -7.367 321 HE2 PHE 37 HE2 PHE 37 90.844 -0.938 -3.952 322 HZ PHE 37 HZ PHE 37 90.444 0.076 -6.179 323 H VAL 38 HN VAL 38 87.378 -5.123 -1.884 324 HA VAL 38 HA VAL 38 90.197 -4.969 -1.774 325 HB VAL 38 HB VAL 38 88.303 -6.748 -0.210 326 1HG1 VAL 38 HG11 VAL 38 90.256 -7.745 0.420 327 2HG1 VAL 38 HG12 VAL 38 90.450 -6.299 1.411 328 3HG1 VAL 38 HG13 VAL 38 91.242 -6.403 -0.162 329 1HG2 VAL 38 HG21 VAL 38 88.391 -4.998 1.460 330 2HG2 VAL 38 HG22 VAL 38 87.977 -4.246 -0.080 331 3HG2 VAL 38 HG23 VAL 38 89.621 -4.123 0.547 332 H LYS 39 HN LYS 39 88.116 -7.780 -2.498 333 HA LYS 39 HA LYS 39 90.264 -9.641 -2.867 334 1HB LYS 39 HB2 LYS 39 87.654 -10.004 -2.715 335 2HB LYS 39 HB1 LYS 39 87.732 -9.834 -4.468 336 1HG LYS 39 HG2 LYS 39 89.305 -11.661 -4.644 337 2HG LYS 39 HG1 LYS 39 89.464 -11.755 -2.889 338 1HD LYS 39 HD2 LYS 39 87.062 -12.347 -2.719 339 2HD LYS 39 HD1 LYS 39 86.938 -12.301 -4.477 340 1HE LYS 39 HE2 LYS 39 88.617 -14.091 -4.656 341 2HE LYS 39 HE1 LYS 39 88.772 -14.129 -2.900 342 1HZ LYS 39 HZ1 LYS 39 87.191 -15.780 -4.075 343 2HZ LYS 39 HZ2 LYS 39 86.126 -14.458 -4.141 344 3HZ LYS 39 HZ3 LYS 39 86.687 -15.025 -2.642 345 H ASP 40 HN ASP 40 88.780 -7.250 -4.977 346 HA ASP 40 HA ASP 40 90.006 -8.193 -7.418 347 1HB ASP 40 HB2 ASP 40 88.853 -5.517 -6.596 348 2HB ASP 40 HB1 ASP 40 89.482 -5.835 -8.213 349 H THR 41 HN THR 41 91.191 -6.459 -4.687 350 HA THR 41 HA THR 41 93.117 -4.749 -5.825 351 HB THR 41 HB THR 41 93.501 -6.399 -3.312 352 HG1 THR 41 HG1 THR 41 91.643 -4.589 -3.934 353 1HG2 THR 41 HG21 THR 41 94.879 -4.501 -2.605 354 2HG2 THR 41 HG22 THR 41 94.534 -3.667 -4.120 355 3HG2 THR 41 HG23 THR 41 95.485 -5.153 -4.127 356 H CYS 42 HN CYS 42 93.547 -8.161 -4.825 357 HA CYS 42 HA CYS 42 95.957 -8.234 -6.596 358 1HB CYS 42 HB2 CYS 42 96.966 -8.828 -4.641 359 2HB CYS 42 HB1 CYS 42 95.439 -9.268 -3.878 360 HG CYS 42 HG CYS 42 95.688 -11.630 -4.673 361 HA PRO 43 HA PRO 43 93.733 -12.689 -6.746 362 1HB PRO 43 HB2 PRO 43 91.024 -11.530 -6.208 363 2HB PRO 43 HB1 PRO 43 91.666 -13.132 -5.796 364 1HG PRO 43 HG2 PRO 43 91.433 -11.164 -3.985 365 2HG PRO 43 HG1 PRO 43 92.723 -12.377 -3.920 366 1HD PRO 43 HD2 PRO 43 92.988 -9.489 -4.548 367 2HD PRO 43 HD1 PRO 43 94.200 -10.694 -4.062 368 H TRP 44 HN TRP 44 91.597 -9.927 -7.590 369 HA TRP 44 HA TRP 44 91.915 -10.722 -10.457 370 1HB TRP 44 HB2 TRP 44 89.398 -9.629 -9.161 371 2HB TRP 44 HB1 TRP 44 89.582 -10.105 -10.850 372 HD1 TRP 44 HD1 TRP 44 91.049 -12.806 -10.624 373 HE1 TRP 44 HE1 TRP 44 89.908 -14.862 -9.566 374 HE3 TRP 44 HE3 TRP 44 87.462 -10.481 -7.829 375 HZ2 TRP 44 HZ2 TRP 44 87.755 -15.442 -7.770 376 HZ3 TRP 44 HZ3 TRP 44 85.881 -11.807 -6.456 377 HH2 TRP 44 HH2 TRP 44 86.023 -14.283 -6.424 378 H PHE 45 HN PHE 45 93.069 -9.111 -11.402 379 HA PHE 45 HA PHE 45 93.418 -6.503 -10.307 380 1HB PHE 45 HB2 PHE 45 94.385 -7.972 -12.543 381 2HB PHE 45 HB1 PHE 45 93.770 -6.435 -13.154 382 HD1 PHE 45 HD1 PHE 45 95.293 -4.682 -13.219 383 HD2 PHE 45 HD2 PHE 45 95.681 -7.672 -10.160 384 HE1 PHE 45 HE1 PHE 45 97.303 -3.525 -12.345 385 HE2 PHE 45 HE2 PHE 45 97.692 -6.514 -9.284 386 HZ PHE 45 HZ PHE 45 98.503 -4.441 -10.376 387 HA PRO 46 HA PRO 46 90.139 -5.241 -13.740 388 1HB PRO 46 HB2 PRO 46 88.441 -7.668 -13.677 389 2HB PRO 46 HB1 PRO 46 88.988 -6.709 -15.065 390 1HG PRO 46 HG2 PRO 46 89.985 -9.134 -14.526 391 2HG PRO 46 HG1 PRO 46 90.966 -7.843 -15.240 392 1HD PRO 46 HD2 PRO 46 90.956 -8.869 -12.431 393 2HD PRO 46 HD1 PRO 46 92.315 -8.255 -13.399 394 H GLN 47 HN GLN 47 88.365 -4.048 -13.032 395 HA GLN 47 HA GLN 47 87.357 -4.712 -10.316 396 1HB GLN 47 HB2 GLN 47 87.002 -2.181 -11.952 397 2HB GLN 47 HB1 GLN 47 86.563 -2.397 -10.257 398 1HG GLN 47 HG2 GLN 47 89.372 -2.643 -11.375 399 2HG GLN 47 HG1 GLN 47 88.748 -1.250 -10.489 400 1HE2 GLN 47 HE21 GLN 47 90.839 -3.534 -9.865 401 2HE2 GLN 47 HE22 GLN 47 90.412 -4.005 -8.292 402 H GLU 48 HN GLU 48 85.014 -4.514 -9.907 403 HA GLU 48 HA GLU 48 83.226 -4.571 -12.245 404 1HB GLU 48 HB2 GLU 48 84.042 -6.924 -12.020 405 2HB GLU 48 HB1 GLU 48 83.387 -6.958 -10.382 406 1HG GLU 48 HG2 GLU 48 81.136 -6.548 -11.228 407 2HG GLU 48 HG1 GLU 48 81.756 -6.383 -12.872 408 H GLY 49 HN GLY 49 81.264 -3.711 -11.688 409 1HA GLY 49 HA2 GLY 49 79.372 -3.515 -10.141 410 2HA GLY 49 HA1 GLY 49 80.505 -3.710 -8.803 411 H THR 50 HN THR 50 78.617 -1.514 -9.151 412 HA THR 50 HA THR 50 80.335 0.786 -9.876 413 HB THR 50 HB THR 50 77.431 0.564 -9.038 414 HG1 THR 50 HG1 THR 50 77.922 -0.020 -11.171 415 1HG2 THR 50 HG21 THR 50 79.145 2.995 -9.588 416 2HG2 THR 50 HG22 THR 50 78.210 2.644 -8.134 417 3HG2 THR 50 HG23 THR 50 77.382 3.029 -9.643 418 H ILE 51 HN ILE 51 81.285 2.106 -8.359 419 HA ILE 51 HA ILE 51 80.922 1.319 -5.508 420 HB ILE 51 HB ILE 51 83.223 1.590 -6.904 421 1HG1 ILE 51 HG12 ILE 51 83.064 0.686 -4.643 422 2HG1 ILE 51 HG11 ILE 51 84.325 1.919 -4.676 423 1HG2 ILE 51 HG21 ILE 51 82.828 4.260 -5.523 424 2HG2 ILE 51 HG22 ILE 51 82.731 4.026 -7.268 425 3HG2 ILE 51 HG23 ILE 51 84.251 3.736 -6.422 426 1HD1 ILE 51 HD11 ILE 51 81.561 2.079 -3.496 427 2HD1 ILE 51 HD12 ILE 51 82.405 3.549 -3.983 428 3HD1 ILE 51 HD13 ILE 51 83.108 2.495 -2.756 429 H ASP 52 HN ASP 52 80.045 2.751 -4.063 430 HA ASP 52 HA ASP 52 78.807 5.180 -5.078 431 1HB ASP 52 HB2 ASP 52 78.976 3.844 -2.385 432 2HB ASP 52 HB1 ASP 52 78.324 5.476 -2.531 433 H ILE 53 HN ILE 53 79.518 7.289 -4.822 434 HA ILE 53 HA ILE 53 82.301 7.753 -4.290 435 HB ILE 53 HB ILE 53 80.049 9.783 -4.281 436 1HG1 ILE 53 HG12 ILE 53 81.771 8.846 -6.596 437 2HG1 ILE 53 HG11 ILE 53 80.104 8.334 -6.331 438 1HG2 ILE 53 HG21 ILE 53 81.801 11.366 -4.885 439 2HG2 ILE 53 HG22 ILE 53 82.996 10.069 -4.938 440 3HG2 ILE 53 HG23 ILE 53 82.268 10.534 -3.400 441 1HD1 ILE 53 HD11 ILE 53 80.336 11.223 -6.172 442 2HD1 ILE 53 HD12 ILE 53 79.300 10.245 -7.212 443 3HD1 ILE 53 HD13 ILE 53 80.947 10.625 -7.714 444 H LYS 54 HN LYS 54 79.391 7.993 -2.302 445 HA LYS 54 HA LYS 54 80.563 9.433 -0.122 446 1HB LYS 54 HB2 LYS 54 78.251 7.479 -0.247 447 2HB LYS 54 HB1 LYS 54 78.693 8.356 1.218 448 1HG LYS 54 HG2 LYS 54 78.400 10.498 0.033 449 2HG LYS 54 HG1 LYS 54 77.961 9.625 -1.437 450 1HD LYS 54 HD2 LYS 54 76.044 8.603 -0.243 451 2HD LYS 54 HD1 LYS 54 76.465 9.528 1.199 452 1HE LYS 54 HE2 LYS 54 76.122 11.629 -0.012 453 2HE LYS 54 HE1 LYS 54 75.776 10.739 -1.495 454 1HZ LYS 54 HZ1 LYS 54 73.689 11.175 -0.648 455 2HZ LYS 54 HZ2 LYS 54 74.166 10.935 0.965 456 3HZ LYS 54 HZ3 LYS 54 73.980 9.606 -0.076 457 H PHE 55 HN PHE 55 80.418 5.978 -0.907 458 HA PHE 55 HA PHE 55 81.643 5.182 1.622 459 1HB PHE 55 HB2 PHE 55 80.100 3.747 0.148 460 2HB PHE 55 HB1 PHE 55 81.502 3.515 -0.897 461 HD1 PHE 55 HD1 PHE 55 83.435 2.227 -0.157 462 HD2 PHE 55 HD2 PHE 55 80.058 2.842 2.426 463 HE1 PHE 55 HE1 PHE 55 84.274 0.456 1.363 464 HE2 PHE 55 HE2 PHE 55 80.898 1.071 3.946 465 HZ PHE 55 HZ PHE 55 83.005 -0.123 3.414 466 H TRP 56 HN TRP 56 82.772 6.286 -1.458 467 HA TRP 56 HA TRP 56 85.301 5.031 -1.617 468 1HB TRP 56 HB2 TRP 56 84.585 6.378 -3.461 469 2HB TRP 56 HB1 TRP 56 84.387 7.797 -2.433 470 HD1 TRP 56 HD1 TRP 56 87.417 5.429 -2.429 471 HE1 TRP 56 HE1 TRP 56 89.518 6.794 -3.039 472 HE3 TRP 56 HE3 TRP 56 85.262 9.932 -3.503 473 HZ2 TRP 56 HZ2 TRP 56 90.194 9.446 -3.873 474 HZ3 TRP 56 HZ3 TRP 56 86.655 11.858 -4.203 475 HH2 TRP 56 HH2 TRP 56 89.117 11.621 -4.388 476 H ARG 57 HN ARG 57 84.218 7.744 0.370 477 HA ARG 57 HA ARG 57 86.769 8.656 1.242 478 1HB ARG 57 HB2 ARG 57 84.074 8.632 2.627 479 2HB ARG 57 HB1 ARG 57 85.496 9.437 3.292 480 1HG ARG 57 HG2 ARG 57 85.300 11.178 1.865 481 2HG ARG 57 HG1 ARG 57 85.044 10.111 0.482 482 1HD ARG 57 HD2 ARG 57 83.059 11.529 0.906 483 2HD ARG 57 HD1 ARG 57 82.689 9.819 1.124 484 HE ARG 57 HE ARG 57 82.426 10.211 3.456 485 1HH1 ARG 57 HH21 ARG 57 83.759 12.902 1.760 486 2HH1 ARG 57 HH22 ARG 57 83.581 13.997 3.091 487 1HH2 ARG 57 HH11 ARG 57 82.187 11.626 5.202 488 2HH2 ARG 57 HH12 ARG 57 82.693 13.275 5.039 489 H ARG 58 HN ARG 58 84.661 6.081 2.510 490 HA ARG 58 HA ARG 58 86.319 5.455 4.772 491 1HB ARG 58 HB2 ARG 58 84.289 3.828 3.222 492 2HB ARG 58 HB1 ARG 58 85.092 3.232 4.676 493 1HG ARG 58 HG2 ARG 58 84.216 5.120 5.968 494 2HG ARG 58 HG1 ARG 58 83.464 5.785 4.518 495 1HD ARG 58 HD2 ARG 58 81.806 4.551 5.852 496 2HD ARG 58 HD1 ARG 58 82.080 3.743 4.309 497 HE ARG 58 HE ARG 58 83.869 2.577 6.147 498 1HH1 ARG 58 HH21 ARG 58 80.480 3.006 5.680 499 2HH1 ARG 58 HH22 ARG 58 80.050 1.529 6.478 500 1HH2 ARG 58 HH11 ARG 58 83.327 0.648 7.191 501 2HH2 ARG 58 HH12 ARG 58 81.661 0.195 7.333 502 H VAL 59 HN VAL 59 86.223 4.245 1.433 503 HA VAL 59 HA VAL 59 88.121 2.137 1.781 504 HB VAL 59 HB VAL 59 87.431 3.816 -0.646 505 1HG1 VAL 59 HG11 VAL 59 89.395 2.955 -1.433 506 2HG1 VAL 59 HG12 VAL 59 88.431 1.494 -1.639 507 3HG1 VAL 59 HG13 VAL 59 89.446 1.686 -0.209 508 1HG2 VAL 59 HG21 VAL 59 85.650 2.447 -0.835 509 2HG2 VAL 59 HG22 VAL 59 86.055 1.770 0.742 510 3HG2 VAL 59 HG23 VAL 59 86.688 1.025 -0.724 511 H GLY 60 HN GLY 60 88.529 5.563 0.898 512 1HA GLY 60 HA2 GLY 60 91.327 5.486 0.414 513 2HA GLY 60 HA1 GLY 60 90.444 6.918 0.942 514 H ASP 61 HN ASP 61 89.538 6.134 3.440 515 HA ASP 61 HA ASP 61 91.929 6.443 5.032 516 1HB ASP 61 HB2 ASP 61 89.010 6.044 5.617 517 2HB ASP 61 HB1 ASP 61 90.185 5.872 6.921 518 H CYS 62 HN CYS 62 89.736 3.713 4.390 519 HA CYS 62 HA CYS 62 90.971 1.889 6.217 520 1HB CYS 62 HB2 CYS 62 89.478 1.342 3.633 521 2HB CYS 62 HB1 CYS 62 89.870 0.127 4.849 522 HG CYS 62 HG CYS 62 88.440 2.175 6.360 523 H PHE 63 HN PHE 63 91.468 2.394 2.711 524 HA PHE 63 HA PHE 63 93.508 0.421 2.413 525 1HB PHE 63 HB2 PHE 63 92.564 2.781 0.866 526 2HB PHE 63 HB1 PHE 63 94.197 2.212 0.513 527 HD1 PHE 63 HD1 PHE 63 91.243 0.219 1.618 528 HD2 PHE 63 HD2 PHE 63 93.963 1.128 -1.580 529 HE1 PHE 63 HE1 PHE 63 90.306 -1.654 0.289 530 HE2 PHE 63 HE2 PHE 63 93.025 -0.744 -2.910 531 HZ PHE 63 HZ PHE 63 91.196 -2.134 -1.975 532 H GLN 64 HN GLN 64 93.662 3.859 3.294 533 HA GLN 64 HA GLN 64 96.505 4.104 3.270 534 1HB GLN 64 HB2 GLN 64 94.904 6.020 3.451 535 2HB GLN 64 HB1 GLN 64 94.551 5.521 5.105 536 1HG GLN 64 HG2 GLN 64 96.958 5.772 5.673 537 2HG GLN 64 HG1 GLN 64 97.267 6.341 4.032 538 1HE2 GLN 64 HE21 GLN 64 97.335 8.584 3.922 539 2HE2 GLN 64 HE22 GLN 64 96.425 9.639 4.890 540 H ASP 65 HN ASP 65 94.250 3.031 5.800 541 HA ASP 65 HA ASP 65 96.188 2.797 7.891 542 1HB ASP 65 HB2 ASP 65 93.499 1.576 7.346 543 2HB ASP 65 HB1 ASP 65 94.482 0.939 8.665 544 H TYR 66 HN TYR 66 95.048 0.467 5.446 545 HA TYR 66 HA TYR 66 96.641 -1.728 6.383 546 1HB TYR 66 HB2 TYR 66 95.388 -1.073 3.712 547 2HB TYR 66 HB1 TYR 66 96.331 -2.542 3.963 548 HD1 TYR 66 HD1 TYR 66 93.094 -1.185 4.088 549 HD2 TYR 66 HD2 TYR 66 95.695 -3.869 6.207 550 HE1 TYR 66 HE1 TYR 66 91.123 -2.274 5.129 551 HE2 TYR 66 HE2 TYR 66 93.724 -4.957 7.247 552 HH TYR 66 HH TYR 66 90.822 -3.677 7.468 553 H TYR 67 HN TYR 67 97.282 0.934 4.145 554 HA TYR 67 HA TYR 67 99.712 -0.032 3.032 555 1HB TYR 67 HB2 TYR 67 98.957 1.898 1.978 556 2HB TYR 67 HB1 TYR 67 98.540 2.688 3.498 557 HD1 TYR 67 HD1 TYR 67 99.977 4.313 4.361 558 HD2 TYR 67 HD2 TYR 67 101.526 1.360 1.655 559 HE1 TYR 67 HE1 TYR 67 102.180 5.453 4.376 560 HE2 TYR 67 HE2 TYR 67 103.728 2.499 1.670 561 HH TYR 67 HH TYR 67 104.325 5.315 3.758 562 H ASN 68 HN ASN 68 99.255 2.140 5.849 563 HA ASN 68 HA ASN 68 102.027 2.101 6.602 564 1HB ASN 68 HB2 ASN 68 99.489 2.751 8.116 565 2HB ASN 68 HB1 ASN 68 101.084 2.857 8.863 566 1HD2 ASN 68 HD21 ASN 68 99.348 5.158 8.380 567 2HD2 ASN 68 HD22 ASN 68 100.153 6.170 7.280 568 H THR 69 HN THR 69 99.257 0.071 7.460 569 HA THR 69 HA THR 69 100.497 -1.333 9.621 570 HB THR 69 HB THR 69 98.466 -2.491 7.696 571 HG1 THR 69 HG1 THR 69 98.216 -0.618 9.788 572 1HG2 THR 69 HG21 THR 69 98.321 -2.946 10.612 573 2HG2 THR 69 HG22 THR 69 99.733 -3.644 9.818 574 3HG2 THR 69 HG23 THR 69 98.112 -4.084 9.281 575 H PHE 70 HN PHE 70 100.286 -2.095 6.135 576 HA PHE 70 HA PHE 70 102.426 -4.138 6.580 577 1HB PHE 70 HB2 PHE 70 100.187 -4.003 4.545 578 2HB PHE 70 HB1 PHE 70 101.550 -5.113 4.393 579 HD1 PHE 70 HD1 PHE 70 101.978 -6.814 6.197 580 HD2 PHE 70 HD2 PHE 70 98.411 -4.423 6.089 581 HE1 PHE 70 HE1 PHE 70 100.874 -8.390 7.763 582 HE2 PHE 70 HE2 PHE 70 97.307 -5.999 7.653 583 HZ PHE 70 HZ PHE 70 98.539 -7.982 8.490 584 H GLY 71 HN GLY 71 101.178 -1.851 4.124 585 1HA GLY 71 HA2 GLY 71 103.143 -0.212 3.499 586 2HA GLY 71 HA1 GLY 71 103.915 -1.709 2.971 587 HA PRO 72 HA PRO 72 101.484 0.038 -0.598 588 1HB PRO 72 HB2 PRO 72 103.852 -0.697 -2.159 589 2HB PRO 72 HB1 PRO 72 103.075 0.885 -1.985 590 1HG PRO 72 HG2 PRO 72 105.499 0.265 -0.924 591 2HG PRO 72 HG1 PRO 72 104.414 1.497 -0.262 592 1HD PRO 72 HD2 PRO 72 104.964 -1.265 0.721 593 2HD PRO 72 HD1 PRO 72 104.568 0.205 1.642 594 H GLU 73 HN GLU 73 103.045 -2.953 0.141 595 HA GLU 73 HA GLU 73 102.425 -4.465 -2.193 596 1HB GLU 73 HB2 GLU 73 102.643 -5.291 0.716 597 2HB GLU 73 HB1 GLU 73 102.470 -6.438 -0.614 598 1HG GLU 73 HG2 GLU 73 104.534 -5.634 -1.633 599 2HG GLU 73 HG1 GLU 73 104.690 -4.385 -0.396 600 H LYS 74 HN LYS 74 100.590 -4.194 0.875 601 HA LYS 74 HA LYS 74 98.305 -5.632 -0.077 602 1HB LYS 74 HB2 LYS 74 98.545 -3.525 2.092 603 2HB LYS 74 HB1 LYS 74 97.120 -4.532 1.833 604 1HG LYS 74 HG2 LYS 74 99.901 -5.611 2.377 605 2HG LYS 74 HG1 LYS 74 98.641 -5.438 3.600 606 1HD LYS 74 HD2 LYS 74 97.183 -6.826 1.929 607 2HD LYS 74 HD1 LYS 74 98.736 -7.300 1.240 608 1HE LYS 74 HE2 LYS 74 99.482 -8.075 3.467 609 2HE LYS 74 HE1 LYS 74 97.918 -7.621 4.143 610 1HZ LYS 74 HZ1 LYS 74 97.751 -9.296 1.805 611 2HZ LYS 74 HZ2 LYS 74 96.939 -9.420 3.291 612 3HZ LYS 74 HZ3 LYS 74 98.511 -10.042 3.125 613 H VAL 75 HN VAL 75 99.054 -2.150 0.012 614 HA VAL 75 HA VAL 75 97.127 -1.745 -2.195 615 HB VAL 75 HB VAL 75 96.058 0.163 -1.005 616 1HG1 VAL 75 HG11 VAL 75 95.228 -2.293 -0.954 617 2HG1 VAL 75 HG12 VAL 75 94.546 -1.172 0.224 618 3HG1 VAL 75 HG13 VAL 75 95.807 -2.305 0.712 619 1HG2 VAL 75 HG21 VAL 75 98.185 -0.422 0.873 620 2HG2 VAL 75 HG22 VAL 75 96.620 -0.485 1.682 621 3HG2 VAL 75 HG23 VAL 75 97.109 0.974 0.820 622 HA PRO 76 HA PRO 76 100.883 0.802 -2.692 623 1HB PRO 76 HB2 PRO 76 101.219 0.280 -5.348 624 2HB PRO 76 HB1 PRO 76 101.788 -0.810 -4.069 625 1HG PRO 76 HG2 PRO 76 99.463 -1.065 -5.864 626 2HG PRO 76 HG1 PRO 76 100.433 -2.320 -5.077 627 1HD PRO 76 HD2 PRO 76 97.890 -1.407 -4.284 628 2HD PRO 76 HD1 PRO 76 98.968 -2.471 -3.355 629 H VAL 77 HN VAL 77 101.281 2.251 -4.986 630 HA VAL 77 HA VAL 77 99.255 4.306 -4.784 631 HB VAL 77 HB VAL 77 100.536 5.344 -6.697 632 1HG1 VAL 77 HG11 VAL 77 101.349 6.080 -4.654 633 2HG1 VAL 77 HG12 VAL 77 102.787 5.281 -5.290 634 3HG1 VAL 77 HG13 VAL 77 101.765 4.453 -4.115 635 1HG2 VAL 77 HG21 VAL 77 102.711 3.372 -6.405 636 2HG2 VAL 77 HG22 VAL 77 102.113 4.179 -7.855 637 3HG2 VAL 77 HG23 VAL 77 101.281 2.754 -7.231 638 H THR 78 HN THR 78 99.453 1.420 -6.575 639 HA THR 78 HA THR 78 98.092 2.215 -8.977 640 HB THR 78 HB THR 78 97.785 -0.120 -9.384 641 HG1 THR 78 HG1 THR 78 97.485 -1.530 -7.821 642 1HG2 THR 78 HG21 THR 78 100.252 0.209 -7.652 643 2HG2 THR 78 HG22 THR 78 100.143 0.611 -9.366 644 3HG2 THR 78 HG23 THR 78 99.993 -1.067 -8.843 645 H ALA 79 HN ALA 79 96.979 1.284 -5.763 646 HA ALA 79 HA ALA 79 94.243 0.829 -6.335 647 1HB ALA 79 HB1 ALA 79 94.910 0.320 -4.132 648 2HB ALA 79 HB2 ALA 79 93.933 1.774 -3.931 649 3HB ALA 79 HB3 ALA 79 95.693 1.885 -3.911 650 H PHE 80 HN PHE 80 95.910 3.884 -5.524 651 HA PHE 80 HA PHE 80 93.566 5.524 -5.704 652 1HB PHE 80 HB2 PHE 80 96.504 6.177 -6.067 653 2HB PHE 80 HB1 PHE 80 95.230 7.396 -6.010 654 HD1 PHE 80 HD1 PHE 80 97.127 4.907 -4.080 655 HD2 PHE 80 HD2 PHE 80 93.978 7.825 -3.945 656 HE1 PHE 80 HE1 PHE 80 97.174 4.841 -1.602 657 HE2 PHE 80 HE2 PHE 80 94.024 7.759 -1.466 658 HZ PHE 80 HZ PHE 80 95.622 6.267 -0.295 659 H SER 81 HN SER 81 96.106 4.736 -8.085 660 HA SER 81 HA SER 81 95.084 6.322 -10.215 661 1HB SER 81 HB2 SER 81 96.597 3.695 -10.308 662 2HB SER 81 HB1 SER 81 96.330 4.744 -11.697 663 HG SER 81 HG SER 81 97.316 6.028 -9.478 664 H TYR 82 HN TYR 82 94.447 2.906 -9.376 665 HA TYR 82 HA TYR 82 92.616 2.421 -11.519 666 1HB TYR 82 HB2 TYR 82 93.229 1.127 -8.897 667 2HB TYR 82 HB1 TYR 82 91.713 0.695 -9.689 668 HD1 TYR 82 HD1 TYR 82 91.887 -1.294 -10.889 669 HD2 TYR 82 HD2 TYR 82 95.192 1.449 -10.887 670 HE1 TYR 82 HE1 TYR 82 93.125 -2.784 -12.437 671 HE2 TYR 82 HE2 TYR 82 96.430 -0.040 -12.436 672 HH TYR 82 HH TYR 82 94.913 -2.932 -13.806 673 H TRP 83 HN TRP 83 92.127 3.617 -8.205 674 HA TRP 83 HA TRP 83 89.274 3.663 -8.273 675 1HB TRP 83 HB2 TRP 83 91.008 4.129 -6.319 676 2HB TRP 83 HB1 TRP 83 90.793 5.804 -6.828 677 HD1 TRP 83 HD1 TRP 83 88.408 6.905 -6.510 678 HE1 TRP 83 HE1 TRP 83 86.370 6.242 -5.077 679 HE3 TRP 83 HE3 TRP 83 89.667 2.092 -5.357 680 HZ2 TRP 83 HZ2 TRP 83 85.402 3.971 -3.633 681 HZ3 TRP 83 HZ3 TRP 83 88.170 0.703 -3.953 682 HH2 TRP 83 HH2 TRP 83 86.041 1.636 -3.089 683 H ASN 84 HN ASN 84 91.702 6.015 -9.340 684 HA ASN 84 HA ASN 84 89.987 8.189 -9.919 685 1HB ASN 84 HB2 ASN 84 92.503 7.229 -11.311 686 2HB ASN 84 HB1 ASN 84 91.704 8.754 -11.698 687 1HD2 ASN 84 HD21 ASN 84 94.371 8.644 -10.590 688 2HD2 ASN 84 HD22 ASN 84 94.320 9.337 -9.042 689 H LEU 85 HN LEU 85 90.826 5.352 -11.902 690 HA LEU 85 HA LEU 85 89.299 6.103 -14.201 691 1HB LEU 85 HB2 LEU 85 90.102 3.390 -13.117 692 2HB LEU 85 HB1 LEU 85 89.306 3.617 -14.675 693 HG LEU 85 HG LEU 85 91.886 4.999 -13.894 694 1HD1 LEU 85 HD11 LEU 85 91.334 2.366 -15.235 695 2HD1 LEU 85 HD12 LEU 85 92.563 2.765 -14.035 696 3HD1 LEU 85 HD13 LEU 85 92.753 3.303 -15.704 697 1HD2 LEU 85 HD21 LEU 85 90.082 4.972 -16.261 698 2HD2 LEU 85 HD22 LEU 85 91.814 4.943 -16.596 699 3HD2 LEU 85 HD23 LEU 85 91.119 6.262 -15.653 700 H ILE 86 HN ILE 86 88.442 4.250 -11.286 701 HA ILE 86 HA ILE 86 85.783 3.576 -12.111 702 HB ILE 86 HB ILE 86 87.166 3.819 -9.449 703 1HG1 ILE 86 HG12 ILE 86 87.190 1.827 -11.213 704 2HG1 ILE 86 HG11 ILE 86 87.115 1.499 -9.481 705 1HG2 ILE 86 HG21 ILE 86 84.943 2.827 -8.546 706 2HG2 ILE 86 HG22 ILE 86 84.213 3.531 -9.990 707 3HG2 ILE 86 HG23 ILE 86 85.020 4.569 -8.814 708 1HD1 ILE 86 HD11 ILE 86 84.608 1.842 -11.126 709 2HD1 ILE 86 HD12 ILE 86 84.785 1.080 -9.546 710 3HD1 ILE 86 HD13 ILE 86 85.410 0.278 -10.987 711 H LYS 87 HN LYS 87 87.077 6.351 -10.286 712 HA LYS 87 HA LYS 87 84.664 7.641 -9.649 713 1HB LYS 87 HB2 LYS 87 86.957 8.393 -8.954 714 2HB LYS 87 HB1 LYS 87 87.199 9.015 -10.586 715 1HG LYS 87 HG2 LYS 87 85.228 10.481 -10.321 716 2HG LYS 87 HG1 LYS 87 84.999 9.869 -8.682 717 1HD LYS 87 HD2 LYS 87 87.230 10.711 -8.051 718 2HD LYS 87 HD1 LYS 87 87.463 11.326 -9.688 719 1HE LYS 87 HE2 LYS 87 85.542 12.823 -9.431 720 2HE LYS 87 HE1 LYS 87 85.229 12.174 -7.821 721 1HZ LYS 87 HZ1 LYS 87 87.153 13.124 -6.976 722 2HZ LYS 87 HZ2 LYS 87 86.558 14.330 -8.014 723 3HZ LYS 87 HZ3 LYS 87 87.850 13.343 -8.506 724 H GLU 88 HN GLU 88 86.439 7.595 -12.718 725 HA GLU 88 HA GLU 88 84.795 9.598 -13.998 726 1HB GLU 88 HB2 GLU 88 86.567 7.412 -15.130 727 2HB GLU 88 HB1 GLU 88 85.787 8.653 -16.112 728 1HG GLU 88 HG2 GLU 88 86.959 10.413 -14.884 729 2HG GLU 88 HG1 GLU 88 87.684 9.213 -13.814 730 H LEU 89 HN LEU 89 84.723 6.041 -13.906 731 HA LEU 89 HA LEU 89 82.624 5.694 -15.806 732 1HB LEU 89 HB2 LEU 89 83.835 4.061 -13.630 733 2HB LEU 89 HB1 LEU 89 82.231 3.579 -14.183 734 HG LEU 89 HG LEU 89 83.017 3.430 -16.482 735 1HD1 LEU 89 HD11 LEU 89 85.391 4.795 -15.300 736 2HD1 LEU 89 HD12 LEU 89 84.636 5.020 -16.878 737 3HD1 LEU 89 HD13 LEU 89 85.691 3.635 -16.594 738 1HD2 LEU 89 HD21 LEU 89 85.281 1.974 -15.458 739 2HD2 LEU 89 HD22 LEU 89 83.736 1.344 -16.026 740 3HD2 LEU 89 HD23 LEU 89 83.929 1.807 -14.336 741 H ILE 90 HN ILE 90 82.511 5.988 -12.247 742 HA ILE 90 HA ILE 90 79.617 5.846 -12.157 743 HB ILE 90 HB ILE 90 79.877 6.499 -9.804 744 1HG1 ILE 90 HG12 ILE 90 82.730 7.080 -10.658 745 2HG1 ILE 90 HG11 ILE 90 81.559 8.228 -10.006 746 1HG2 ILE 90 HG21 ILE 90 80.898 4.531 -9.143 747 2HG2 ILE 90 HG22 ILE 90 82.241 4.727 -10.269 748 3HG2 ILE 90 HG23 ILE 90 80.671 4.181 -10.857 749 1HD1 ILE 90 HD11 ILE 90 82.931 5.950 -8.572 750 2HD1 ILE 90 HD12 ILE 90 81.483 6.722 -7.926 751 3HD1 ILE 90 HD13 ILE 90 82.954 7.666 -8.164 752 H ASP 91 HN ASP 91 81.993 8.472 -12.251 753 HA ASP 91 HA ASP 91 80.174 10.616 -11.731 754 1HB ASP 91 HB2 ASP 91 82.842 10.393 -13.095 755 2HB ASP 91 HB1 ASP 91 81.941 11.906 -13.193 756 H LYS 92 HN LYS 92 81.126 8.986 -14.742 757 HA LYS 92 HA LYS 92 79.713 10.726 -16.521 758 1HB LYS 92 HB2 LYS 92 80.477 7.804 -16.745 759 2HB LYS 92 HB1 LYS 92 79.753 8.720 -18.068 760 1HG LYS 92 HG2 LYS 92 82.162 9.837 -16.674 761 2HG LYS 92 HG1 LYS 92 82.379 8.551 -17.862 762 1HD LYS 92 HD2 LYS 92 81.168 9.883 -19.541 763 2HD LYS 92 HD1 LYS 92 80.926 11.167 -18.356 764 1HE LYS 92 HE2 LYS 92 83.375 11.429 -18.145 765 2HE LYS 92 HE1 LYS 92 83.610 10.161 -19.348 766 1HZ LYS 92 HZ1 LYS 92 83.547 11.813 -20.820 767 2HZ LYS 92 HZ2 LYS 92 82.891 12.918 -19.709 768 3HZ LYS 92 HZ3 LYS 92 81.873 11.853 -20.555 769 H LYS 93 HN LYS 93 78.719 7.781 -14.789 770 HA LYS 93 HA LYS 93 75.993 7.994 -15.898 771 1HB LYS 93 HB2 LYS 93 77.041 5.765 -15.566 772 2HB LYS 93 HB1 LYS 93 77.117 6.078 -13.831 773 1HG LYS 93 HG2 LYS 93 74.684 6.261 -13.720 774 2HG LYS 93 HG1 LYS 93 74.565 6.055 -15.468 775 1HD LYS 93 HD2 LYS 93 75.601 3.811 -15.259 776 2HD LYS 93 HD1 LYS 93 75.656 4.014 -13.507 777 1HE LYS 93 HE2 LYS 93 73.138 4.052 -15.199 778 2HE LYS 93 HE1 LYS 93 73.671 2.708 -14.190 779 1HZ LYS 93 HZ1 LYS 93 72.488 3.690 -12.597 780 2HZ LYS 93 HZ2 LYS 93 72.376 5.160 -13.441 781 3HZ LYS 93 HZ3 LYS 93 73.749 4.820 -12.499 782 H GLU 94 HN GLU 94 74.572 9.366 -14.953 783 HA GLU 94 HA GLU 94 75.049 10.601 -12.397 784 1HB GLU 94 HB2 GLU 94 72.790 11.543 -12.672 785 2HB GLU 94 HB1 GLU 94 73.704 11.674 -14.176 786 1HG GLU 94 HG2 GLU 94 72.625 9.531 -14.935 787 2HG GLU 94 HG1 GLU 94 71.606 9.596 -13.497 788 H VAL 95 HN VAL 95 74.286 10.042 -10.371 789 HA VAL 95 HA VAL 95 72.398 7.741 -10.187 790 HB VAL 95 HB VAL 95 74.676 6.848 -9.891 791 1HG1 VAL 95 HG11 VAL 95 76.274 7.913 -8.688 792 2HG1 VAL 95 HG12 VAL 95 75.172 8.227 -7.349 793 3HG1 VAL 95 HG13 VAL 95 75.199 9.309 -8.741 794 1HG2 VAL 95 HG21 VAL 95 74.173 5.591 -7.995 795 2HG2 VAL 95 HG22 VAL 95 72.583 6.246 -8.386 796 3HG2 VAL 95 HG23 VAL 95 73.552 6.985 -7.112 797 H ASN 96 HN ASN 96 71.399 7.606 -7.986 798 HA ASN 96 HA ASN 96 71.376 10.271 -6.626 799 1HB ASN 96 HB2 ASN 96 69.316 9.901 -7.968 800 2HB ASN 96 HB1 ASN 96 69.008 8.425 -7.053 801 1HD2 ASN 96 HD21 ASN 96 67.226 8.994 -5.752 802 2HD2 ASN 96 HD22 ASN 96 67.194 10.337 -4.717 803 HA PRO 97 HA PRO 97 72.663 6.972 -3.627 804 1HB PRO 97 HB2 PRO 97 73.892 9.389 -2.411 805 2HB PRO 97 HB1 PRO 97 74.613 7.804 -2.750 806 1HG PRO 97 HG2 PRO 97 75.220 9.926 -4.221 807 2HG PRO 97 HG1 PRO 97 75.048 8.320 -4.947 808 1HD PRO 97 HD2 PRO 97 73.130 10.627 -5.004 809 2HD PRO 97 HD1 PRO 97 73.529 9.458 -6.282 810 H GLN 98 HN GLN 98 72.988 8.261 -0.970 811 HA GLN 98 HA GLN 98 70.272 8.090 -0.055 812 1HB GLN 98 HB2 GLN 98 72.767 9.201 1.260 813 2HB GLN 98 HB1 GLN 98 71.225 9.005 2.093 814 1HG GLN 98 HG2 GLN 98 71.256 6.590 1.597 815 2HG GLN 98 HG1 GLN 98 72.795 6.781 0.756 816 1HE2 GLN 98 HE21 GLN 98 73.070 5.048 2.762 817 2HE2 GLN 98 HE22 GLN 98 73.758 5.743 4.149 818 H VAL 99 HN VAL 99 72.458 10.894 -0.463 819 HA VAL 99 HA VAL 99 70.010 12.611 -0.565 820 HB VAL 99 HB VAL 99 72.720 13.206 0.652 821 1HG1 VAL 99 HG11 VAL 99 72.161 15.229 -0.422 822 2HG1 VAL 99 HG12 VAL 99 71.502 15.435 1.201 823 3HG1 VAL 99 HG13 VAL 99 70.434 15.007 -0.136 824 1HG2 VAL 99 HG21 VAL 99 71.703 12.881 2.652 825 2HG2 VAL 99 HG22 VAL 99 70.426 12.079 1.737 826 3HG2 VAL 99 HG23 VAL 99 70.272 13.785 2.157 827 H MET 100 HN MET 100 69.823 13.791 -2.418 828 HA MET 100 HA MET 100 70.350 14.508 -4.599 829 1HB MET 100 HB2 MET 100 72.846 15.258 -3.051 830 2HB MET 100 HB1 MET 100 72.514 15.803 -4.696 831 1HG MET 100 HG2 MET 100 70.376 16.803 -3.901 832 2HG MET 100 HG1 MET 100 70.793 16.329 -2.254 833 1HE MET 100 HE1 MET 100 73.500 18.557 -1.082 834 2HE MET 100 HE2 MET 100 73.496 16.843 -1.489 835 3HE MET 100 HE3 MET 100 72.088 17.559 -0.707 Start of MODEL 2 1 1H MET 1 HT1 MET 1 73.197 -5.687 0.054 2 2H MET 1 HT2 MET 1 72.070 -4.922 -0.956 3 3H MET 1 HT3 MET 1 72.487 -6.547 -1.223 4 HA MET 1 HA MET 1 71.649 -6.666 1.313 5 1HB MET 1 HB2 MET 1 70.972 -4.274 1.210 6 2HB MET 1 HB1 MET 1 69.898 -4.656 -0.136 7 1HG MET 1 HG2 MET 1 68.574 -6.128 1.251 8 2HG MET 1 HG1 MET 1 69.720 -5.980 2.583 9 1HE MET 1 HE1 MET 1 66.433 -4.747 1.172 10 2HE MET 1 HE2 MET 1 67.617 -4.043 0.074 11 3HE MET 1 HE3 MET 1 66.621 -2.991 1.077 12 H GLY 2 HN GLY 2 69.821 -8.115 1.433 13 1HA GLY 2 HA2 GLY 2 68.082 -9.474 0.505 14 2HA GLY 2 HA1 GLY 2 68.482 -8.847 -1.095 15 H GLN 3 HN GLN 3 71.363 -9.618 0.316 16 HA GLN 3 HA GLN 3 71.466 -12.189 -1.164 17 1HB GLN 3 HB2 GLN 3 73.669 -10.514 0.083 18 2HB GLN 3 HB1 GLN 3 73.919 -11.977 -0.868 19 1HG GLN 3 HG2 GLN 3 72.524 -9.479 -1.878 20 2HG GLN 3 HG1 GLN 3 74.201 -9.902 -2.226 21 1HE2 GLN 3 HE21 GLN 3 71.281 -9.964 -3.694 22 2HE2 GLN 3 HE22 GLN 3 71.436 -11.367 -4.636 23 H GLU 4 HN GLU 4 72.462 -14.075 -0.127 24 HA GLU 4 HA GLU 4 71.370 -14.699 2.405 25 1HB GLU 4 HB2 GLU 4 73.766 -15.881 0.970 26 2HB GLU 4 HB1 GLU 4 73.030 -16.593 2.406 27 1HG GLU 4 HG2 GLU 4 70.883 -16.801 1.225 28 2HG GLU 4 HG1 GLU 4 71.585 -16.047 -0.206 29 H LEU 5 HN LEU 5 72.021 -14.222 4.456 30 HA LEU 5 HA LEU 5 74.499 -12.647 4.787 31 1HB LEU 5 HB2 LEU 5 72.148 -13.246 6.588 32 2HB LEU 5 HB1 LEU 5 73.589 -12.438 7.185 33 HG LEU 5 HG LEU 5 71.993 -11.474 4.794 34 1HD1 LEU 5 HD11 LEU 5 70.746 -11.433 7.019 35 2HD1 LEU 5 HD12 LEU 5 70.940 -9.871 6.227 36 3HD1 LEU 5 HD13 LEU 5 71.977 -10.306 7.586 37 1HD2 LEU 5 HD21 LEU 5 73.971 -10.356 4.528 38 2HD2 LEU 5 HD22 LEU 5 74.469 -10.611 6.197 39 3HD2 LEU 5 HD23 LEU 5 73.331 -9.326 5.806 40 H SER 6 HN SER 6 76.264 -13.975 4.914 41 HA SER 6 HA SER 6 76.123 -16.551 6.310 42 1HB SER 6 HB2 SER 6 78.597 -16.607 5.781 43 2HB SER 6 HB1 SER 6 77.548 -16.457 4.374 44 HG SER 6 HG SER 6 79.326 -14.657 5.493 45 H GLN 7 HN GLN 7 77.861 -17.008 8.023 46 HA GLN 7 HA GLN 7 77.469 -15.388 10.293 47 1HB GLN 7 HB2 GLN 7 78.382 -17.726 10.313 48 2HB GLN 7 HB1 GLN 7 79.917 -17.088 9.724 49 1HG GLN 7 HG2 GLN 7 80.133 -15.680 11.713 50 2HG GLN 7 HG1 GLN 7 78.558 -16.221 12.291 51 1HE2 GLN 7 HE21 GLN 7 81.196 -16.620 13.628 52 2HE2 GLN 7 HE22 GLN 7 81.392 -18.299 13.779 53 H HIS 8 HN HIS 8 80.102 -15.302 7.898 54 HA HIS 8 HA HIS 8 81.616 -13.247 9.223 55 1HB HIS 8 HB2 HIS 8 82.552 -14.703 7.441 56 2HB HIS 8 HB1 HIS 8 81.497 -13.917 6.266 57 HD2 HIS 8 HD2 HIS 8 82.606 -11.637 5.156 58 HE1 HIS 8 HE1 HIS 8 85.628 -10.990 8.035 59 HE2 HIS 8 HE2 HIS 8 84.666 -10.185 5.831 60 H GLU 9 HN GLU 9 79.167 -13.130 6.627 61 HA GLU 9 HA GLU 9 79.266 -10.299 6.265 62 1HB GLU 9 HB2 GLU 9 77.040 -12.285 5.762 63 2HB GLU 9 HB1 GLU 9 76.998 -10.601 5.241 64 1HG GLU 9 HG2 GLU 9 78.947 -10.908 3.848 65 2HG GLU 9 HG1 GLU 9 79.201 -12.535 4.480 66 H ARG 10 HN ARG 10 77.559 -12.363 8.539 67 HA ARG 10 HA ARG 10 75.774 -10.315 9.524 68 1HB ARG 10 HB2 ARG 10 76.717 -12.949 10.664 69 2HB ARG 10 HB1 ARG 10 75.585 -11.901 11.518 70 1HG ARG 10 HG2 ARG 10 74.069 -11.972 9.551 71 2HG ARG 10 HG1 ARG 10 75.189 -13.072 8.751 72 1HD ARG 10 HD2 ARG 10 74.915 -14.692 10.602 73 2HD ARG 10 HD1 ARG 10 73.767 -13.600 11.374 74 HE ARG 10 HE ARG 10 73.247 -15.255 9.001 75 1HH1 ARG 10 HH21 ARG 10 72.378 -12.567 10.980 76 2HH1 ARG 10 HH22 ARG 10 70.729 -12.546 10.455 77 1HH2 ARG 10 HH11 ARG 10 71.098 -15.240 8.304 78 2HH2 ARG 10 HH12 ARG 10 70.003 -14.058 8.940 79 H TYR 11 HN TYR 11 78.962 -11.506 10.542 80 HA TYR 11 HA TYR 11 79.154 -10.006 12.953 81 1HB TYR 11 HB2 TYR 11 80.751 -11.787 12.371 82 2HB TYR 11 HB1 TYR 11 81.357 -10.815 11.030 83 HD1 TYR 11 HD1 TYR 11 80.943 -10.849 14.737 84 HD2 TYR 11 HD2 TYR 11 83.007 -9.149 11.375 85 HE1 TYR 11 HE1 TYR 11 82.500 -9.689 16.280 86 HE2 TYR 11 HE2 TYR 11 84.564 -7.989 12.917 87 HH TYR 11 HH TYR 11 84.369 -7.173 15.454 88 H VAL 12 HN VAL 12 80.282 -9.182 9.663 89 HA VAL 12 HA VAL 12 81.187 -6.548 10.362 90 HB VAL 12 HB VAL 12 81.034 -6.117 7.891 91 1HG1 VAL 12 HG11 VAL 12 83.111 -6.986 8.206 92 2HG1 VAL 12 HG12 VAL 12 82.436 -8.437 7.464 93 3HG1 VAL 12 HG13 VAL 12 82.509 -8.297 9.222 94 1HG2 VAL 12 HG21 VAL 12 79.804 -8.876 7.980 95 2HG2 VAL 12 HG22 VAL 12 80.473 -8.181 6.511 96 3HG2 VAL 12 HG23 VAL 12 79.096 -7.413 7.303 97 H GLU 13 HN GLU 13 78.059 -7.848 9.397 98 HA GLU 13 HA GLU 13 76.738 -5.388 8.835 99 1HB GLU 13 HB2 GLU 13 75.781 -7.651 8.374 100 2HB GLU 13 HB1 GLU 13 75.551 -7.873 10.110 101 1HG GLU 13 HG2 GLU 13 74.081 -5.905 10.186 102 2HG GLU 13 HG1 GLU 13 74.332 -5.639 8.460 103 H GLN 14 HN GLN 14 77.254 -7.138 11.897 104 HA GLN 14 HA GLN 14 75.706 -5.355 13.531 105 1HB GLN 14 HB2 GLN 14 76.486 -7.591 14.297 106 2HB GLN 14 HB1 GLN 14 78.144 -6.992 14.300 107 1HG GLN 14 HG2 GLN 14 77.581 -5.315 15.982 108 2HG GLN 14 HG1 GLN 14 75.884 -5.794 15.929 109 1HE2 GLN 14 HE21 GLN 14 77.464 -5.935 18.349 110 2HE2 GLN 14 HE22 GLN 14 77.615 -7.570 18.776 111 H LEU 15 HN LEU 15 79.067 -5.327 12.415 112 HA LEU 15 HA LEU 15 79.955 -3.174 14.060 113 1HB LEU 15 HB2 LEU 15 81.517 -4.587 12.775 114 2HB LEU 15 HB1 LEU 15 80.860 -3.952 11.266 115 HG LEU 15 HG LEU 15 81.586 -1.672 11.911 116 1HD1 LEU 15 HD11 LEU 15 83.309 -1.748 13.913 117 2HD1 LEU 15 HD12 LEU 15 82.344 -3.134 14.417 118 3HD1 LEU 15 HD13 LEU 15 81.587 -1.549 14.234 119 1HD2 LEU 15 HD21 LEU 15 84.166 -2.466 12.185 120 2HD2 LEU 15 HD22 LEU 15 83.299 -2.477 10.650 121 3HD2 LEU 15 HD23 LEU 15 83.437 -3.959 11.595 122 H LYS 16 HN LYS 16 78.418 -3.241 10.866 123 HA LYS 16 HA LYS 16 78.586 -0.465 10.287 124 1HB LYS 16 HB2 LYS 16 77.858 -2.215 8.664 125 2HB LYS 16 HB1 LYS 16 76.339 -2.367 9.547 126 1HG LYS 16 HG2 LYS 16 75.819 -0.015 9.101 127 2HG LYS 16 HG1 LYS 16 77.365 0.194 8.280 128 1HD LYS 16 HD2 LYS 16 76.684 -1.532 6.625 129 2HD LYS 16 HD1 LYS 16 75.117 -1.648 7.428 130 1HE LYS 16 HE2 LYS 16 74.688 0.736 6.969 131 2HE LYS 16 HE1 LYS 16 76.262 0.876 6.187 132 1HZ LYS 16 HZ1 LYS 16 75.592 -0.360 4.400 133 2HZ LYS 16 HZ2 LYS 16 74.127 0.406 4.791 134 3HZ LYS 16 HZ3 LYS 16 74.400 -1.202 5.266 135 H GLN 17 HN GLN 17 76.167 -2.319 12.126 136 HA GLN 17 HA GLN 17 74.315 -0.203 12.538 137 1HB GLN 17 HB2 GLN 17 75.044 -2.522 14.356 138 2HB GLN 17 HB1 GLN 17 73.630 -1.488 14.567 139 1HG GLN 17 HG2 GLN 17 72.780 -2.152 12.366 140 2HG GLN 17 HG1 GLN 17 74.216 -3.138 12.093 141 1HE2 GLN 17 HE21 GLN 17 72.066 -4.679 11.917 142 2HE2 GLN 17 HE22 GLN 17 71.740 -5.541 13.342 143 H ALA 18 HN ALA 18 77.168 -1.190 14.437 144 HA ALA 18 HA ALA 18 76.877 0.830 16.459 145 1HB ALA 18 HB1 ALA 18 79.396 -0.541 15.463 146 2HB ALA 18 HB2 ALA 18 78.338 -1.147 16.738 147 3HB ALA 18 HB3 ALA 18 79.239 0.349 16.978 148 H LEU 19 HN LEU 19 78.551 0.783 13.328 149 HA LEU 19 HA LEU 19 79.803 3.329 13.626 150 1HB LEU 19 HB2 LEU 19 79.026 1.748 11.162 151 2HB LEU 19 HB1 LEU 19 79.976 3.222 11.106 152 HG LEU 19 HG LEU 19 80.748 0.772 12.711 153 1HD1 LEU 19 HD11 LEU 19 80.825 0.233 10.338 154 2HD1 LEU 19 HD12 LEU 19 82.472 0.460 10.924 155 3HD1 LEU 19 HD13 LEU 19 81.684 1.733 9.992 156 1HD2 LEU 19 HD21 LEU 19 81.952 2.476 13.706 157 2HD2 LEU 19 HD22 LEU 19 81.927 3.485 12.262 158 3HD2 LEU 19 HD23 LEU 19 83.033 2.121 12.363 159 H LYS 20 HN LYS 20 76.707 2.298 12.260 160 HA LYS 20 HA LYS 20 75.918 4.845 11.251 161 1HB LYS 20 HB2 LYS 20 74.775 2.670 10.736 162 2HB LYS 20 HB1 LYS 20 74.108 2.688 12.369 163 1HG LYS 20 HG2 LYS 20 72.977 4.815 11.914 164 2HG LYS 20 HG1 LYS 20 73.684 4.863 10.298 165 1HD LYS 20 HD2 LYS 20 72.520 2.762 9.725 166 2HD LYS 20 HD1 LYS 20 71.800 2.721 11.336 167 1HE LYS 20 HE2 LYS 20 70.718 4.911 10.883 168 2HE LYS 20 HE1 LYS 20 71.397 4.894 9.256 169 1HZ LYS 20 HZ1 LYS 20 69.344 3.982 8.899 170 2HZ LYS 20 HZ2 LYS 20 69.289 3.208 10.410 171 3HZ LYS 20 HZ3 LYS 20 70.255 2.576 9.164 172 H THR 21 HN THR 21 75.842 3.453 14.465 173 HA THR 21 HA THR 21 74.126 5.530 15.577 174 HB THR 21 HB THR 21 74.903 4.556 17.776 175 HG1 THR 21 HG1 THR 21 76.790 3.602 16.176 176 1HG2 THR 21 HG21 THR 21 73.904 2.251 17.274 177 2HG2 THR 21 HG22 THR 21 73.783 2.789 15.599 178 3HG2 THR 21 HG23 THR 21 72.904 3.646 16.865 179 H ARG 22 HN ARG 22 77.589 5.025 15.171 180 HA ARG 22 HA ARG 22 78.343 7.201 16.950 181 1HB ARG 22 HB2 ARG 22 80.477 6.519 16.537 182 2HB ARG 22 HB1 ARG 22 79.700 5.110 15.822 183 1HG ARG 22 HG2 ARG 22 79.708 6.276 13.623 184 2HG ARG 22 HG1 ARG 22 80.618 7.602 14.348 185 1HD ARG 22 HD2 ARG 22 82.406 6.046 14.963 186 2HD ARG 22 HD1 ARG 22 81.526 4.736 14.196 187 HE ARG 22 HE ARG 22 82.101 5.628 12.064 188 1HH1 ARG 22 HH21 ARG 22 82.900 7.719 14.690 189 2HH1 ARG 22 HH22 ARG 22 83.869 8.776 13.723 190 1HH2 ARG 22 HH11 ARG 22 83.358 7.003 10.788 191 2HH2 ARG 22 HH12 ARG 22 84.128 8.374 11.516 192 H GLY 23 HN GLY 23 77.237 6.969 13.700 193 1HA GLY 23 HA2 GLY 23 76.441 9.185 12.784 194 2HA GLY 23 HA1 GLY 23 78.012 9.828 13.241 195 H VAL 24 HN VAL 24 77.082 6.811 11.578 196 HA VAL 24 HA VAL 24 78.816 7.679 9.292 197 HB VAL 24 HB VAL 24 78.493 4.929 10.495 198 1HG1 VAL 24 HG11 VAL 24 78.616 4.396 8.250 199 2HG1 VAL 24 HG12 VAL 24 80.333 4.518 8.639 200 3HG1 VAL 24 HG13 VAL 24 79.509 5.863 7.849 201 1HG2 VAL 24 HG21 VAL 24 80.332 7.057 10.940 202 2HG2 VAL 24 HG22 VAL 24 81.191 5.795 10.060 203 3HG2 VAL 24 HG23 VAL 24 80.398 5.422 11.585 204 H LYS 25 HN LYS 25 77.932 7.398 7.256 205 HA LYS 25 HA LYS 25 75.236 6.114 7.126 206 1HB LYS 25 HB2 LYS 25 76.199 8.642 5.764 207 2HB LYS 25 HB1 LYS 25 74.684 7.824 5.379 208 1HG LYS 25 HG2 LYS 25 73.934 8.097 7.713 209 2HG LYS 25 HG1 LYS 25 75.449 8.911 8.105 210 1HD LYS 25 HD2 LYS 25 74.937 10.695 6.507 211 2HD LYS 25 HD1 LYS 25 73.451 9.871 6.036 212 1HE LYS 25 HE2 LYS 25 72.584 10.094 8.325 213 2HE LYS 25 HE1 LYS 25 74.077 10.888 8.826 214 1HZ LYS 25 HZ1 LYS 25 72.466 11.936 6.584 215 2HZ LYS 25 HZ2 LYS 25 73.614 12.746 7.538 216 3HZ LYS 25 HZ3 LYS 25 72.097 12.345 8.189 217 H VAL 26 HN VAL 26 75.910 4.181 6.203 218 HA VAL 26 HA VAL 26 77.111 4.416 3.477 219 HB VAL 26 HB VAL 26 77.869 2.486 5.675 220 1HG1 VAL 26 HG11 VAL 26 77.698 1.127 3.725 221 2HG1 VAL 26 HG12 VAL 26 79.403 1.553 3.842 222 3HG1 VAL 26 HG13 VAL 26 78.360 2.393 2.695 223 1HG2 VAL 26 HG21 VAL 26 80.145 3.356 5.136 224 2HG2 VAL 26 HG22 VAL 26 79.053 4.617 5.712 225 3HG2 VAL 26 HG23 VAL 26 79.407 4.476 3.990 226 H LYS 27 HN LYS 27 76.144 3.122 1.943 227 HA LYS 27 HA LYS 27 73.620 1.902 2.651 228 1HB LYS 27 HB2 LYS 27 75.205 1.906 0.068 229 2HB LYS 27 HB1 LYS 27 73.585 1.222 0.221 230 1HG LYS 27 HG2 LYS 27 72.727 3.420 0.948 231 2HG LYS 27 HG1 LYS 27 74.344 4.105 0.783 232 1HD LYS 27 HD2 LYS 27 74.335 3.506 -1.625 233 2HD LYS 27 HD1 LYS 27 72.697 2.877 -1.448 234 1HE LYS 27 HE2 LYS 27 71.919 5.110 -0.725 235 2HE LYS 27 HE1 LYS 27 73.555 5.737 -0.919 236 1HZ LYS 27 HZ1 LYS 27 73.486 5.352 -3.228 237 2HZ LYS 27 HZ2 LYS 27 72.013 6.109 -2.840 238 3HZ LYS 27 HZ3 LYS 27 72.064 4.434 -3.121 239 H TYR 28 HN TYR 28 73.101 -0.364 2.524 240 HA TYR 28 HA TYR 28 75.113 -2.122 3.545 241 1HB TYR 28 HB2 TYR 28 72.470 -2.767 2.206 242 2HB TYR 28 HB1 TYR 28 73.452 -3.915 3.116 243 HD1 TYR 28 HD1 TYR 28 71.455 -0.802 3.358 244 HD2 TYR 28 HD2 TYR 28 73.508 -3.899 5.512 245 HE1 TYR 28 HE1 TYR 28 70.424 -0.015 5.471 246 HE2 TYR 28 HE2 TYR 28 72.477 -3.111 7.627 247 HH TYR 28 HH TYR 28 70.256 -1.781 8.202 248 H ALA 29 HN ALA 29 73.929 -1.491 0.277 249 HA ALA 29 HA ALA 29 75.174 -3.683 -1.045 250 1HB ALA 29 HB1 ALA 29 74.038 -1.078 -1.812 251 2HB ALA 29 HB2 ALA 29 73.903 -2.643 -2.615 252 3HB ALA 29 HB3 ALA 29 75.325 -1.634 -2.881 253 H ASP 30 HN ASP 30 76.440 -0.555 0.004 254 HA ASP 30 HA ASP 30 78.934 -0.687 -1.387 255 1HB ASP 30 HB2 ASP 30 77.951 0.754 1.061 256 2HB ASP 30 HB1 ASP 30 79.671 0.769 0.688 257 H LEU 31 HN LEU 31 77.876 -1.991 1.734 258 HA LEU 31 HA LEU 31 80.457 -2.858 2.622 259 1HB LEU 31 HB2 LEU 31 77.619 -3.611 3.236 260 2HB LEU 31 HB1 LEU 31 78.903 -4.666 3.816 261 HG LEU 31 HG LEU 31 78.230 -2.868 5.457 262 1HD1 LEU 31 HD11 LEU 31 80.979 -2.063 4.886 263 2HD1 LEU 31 HD12 LEU 31 80.774 -3.807 4.777 264 3HD1 LEU 31 HD13 LEU 31 80.344 -2.961 6.261 265 1HD2 LEU 31 HD21 LEU 31 77.950 -1.190 3.477 266 2HD2 LEU 31 HD22 LEU 31 79.687 -0.941 3.651 267 3HD2 LEU 31 HD23 LEU 31 78.610 -0.594 5.000 268 H LEU 32 HN LEU 32 77.936 -4.517 0.729 269 HA LEU 32 HA LEU 32 79.375 -6.986 0.464 270 1HB LEU 32 HB2 LEU 32 77.277 -5.692 -1.284 271 2HB LEU 32 HB1 LEU 32 77.868 -7.328 -1.533 272 HG LEU 32 HG LEU 32 76.652 -6.350 1.068 273 1HD1 LEU 32 HD11 LEU 32 75.086 -8.339 -0.296 274 2HD1 LEU 32 HD12 LEU 32 75.351 -6.975 -1.380 275 3HD1 LEU 32 HD13 LEU 32 74.615 -6.717 0.200 276 1HD2 LEU 32 HD21 LEU 32 76.412 -9.081 0.976 277 2HD2 LEU 32 HD22 LEU 32 77.723 -8.227 1.787 278 3HD2 LEU 32 HD23 LEU 32 77.952 -8.845 0.156 279 H LYS 33 HN LYS 33 79.231 -4.073 -1.575 280 HA LYS 33 HA LYS 33 80.978 -5.106 -3.617 281 1HB LYS 33 HB2 LYS 33 80.319 -2.254 -2.821 282 2HB LYS 33 HB1 LYS 33 81.218 -2.705 -4.270 283 1HG LYS 33 HG2 LYS 33 79.311 -4.016 -5.079 284 2HG LYS 33 HG1 LYS 33 78.406 -3.634 -3.615 285 1HD LYS 33 HD2 LYS 33 78.485 -1.241 -4.169 286 2HD LYS 33 HD1 LYS 33 79.419 -1.599 -5.625 287 1HE LYS 33 HE2 LYS 33 77.532 -3.009 -6.445 288 2HE LYS 33 HE1 LYS 33 76.599 -2.538 -5.025 289 1HZ LYS 33 HZ1 LYS 33 76.285 -0.454 -5.801 290 2HZ LYS 33 HZ2 LYS 33 76.476 -1.223 -7.304 291 3HZ LYS 33 HZ3 LYS 33 77.780 -0.391 -6.602 292 H PHE 34 HN PHE 34 81.518 -3.327 -0.609 293 HA PHE 34 HA PHE 34 84.221 -2.616 -0.989 294 1HB PHE 34 HB2 PHE 34 82.989 -1.797 0.935 295 2HB PHE 34 HB1 PHE 34 82.759 -3.437 1.537 296 HD1 PHE 34 HD1 PHE 34 84.142 -4.038 3.313 297 HD2 PHE 34 HD2 PHE 34 85.641 -1.345 0.320 298 HE1 PHE 34 HE1 PHE 34 86.306 -3.907 4.512 299 HE2 PHE 34 HE2 PHE 34 87.803 -1.215 1.518 300 HZ PHE 34 HZ PHE 34 88.138 -2.495 3.615 301 H PHE 35 HN PHE 35 82.876 -5.610 0.423 302 HA PHE 35 HA PHE 35 85.394 -6.877 0.872 303 1HB PHE 35 HB2 PHE 35 82.678 -8.089 0.276 304 2HB PHE 35 HB1 PHE 35 84.070 -8.998 0.866 305 HD1 PHE 35 HD1 PHE 35 85.277 -7.803 2.987 306 HD2 PHE 35 HD2 PHE 35 81.147 -7.388 1.886 307 HE1 PHE 35 HE1 PHE 35 84.722 -7.147 5.310 308 HE2 PHE 35 HE2 PHE 35 80.590 -6.736 4.209 309 HZ PHE 35 HZ PHE 35 82.379 -6.615 5.923 310 H ASP 36 HN ASP 36 83.229 -6.855 -1.951 311 HA ASP 36 HA ASP 36 84.689 -8.753 -3.513 312 1HB ASP 36 HB2 ASP 36 82.839 -6.461 -4.151 313 2HB ASP 36 HB1 ASP 36 83.698 -7.271 -5.461 314 H PHE 37 HN PHE 37 85.009 -5.209 -3.265 315 HA PHE 37 HA PHE 37 87.128 -4.977 -5.176 316 1HB PHE 37 HB2 PHE 37 85.842 -3.032 -4.360 317 2HB PHE 37 HB1 PHE 37 86.535 -3.250 -2.753 318 HD1 PHE 37 HD1 PHE 37 87.703 -3.015 -6.319 319 HD2 PHE 37 HD2 PHE 37 88.387 -1.939 -2.216 320 HE1 PHE 37 HE1 PHE 37 89.683 -1.687 -6.997 321 HE2 PHE 37 HE2 PHE 37 90.369 -0.611 -2.894 322 HZ PHE 37 HZ PHE 37 91.015 -0.485 -5.285 323 H VAL 38 HN VAL 38 87.206 -5.281 -1.615 324 HA VAL 38 HA VAL 38 90.043 -5.249 -1.355 325 HB VAL 38 HB VAL 38 87.953 -6.652 0.339 326 1HG1 VAL 38 HG11 VAL 38 90.888 -6.518 0.482 327 2HG1 VAL 38 HG12 VAL 38 89.773 -7.621 1.288 328 3HG1 VAL 38 HG13 VAL 38 90.081 -6.023 1.969 329 1HG2 VAL 38 HG21 VAL 38 88.441 -3.926 -0.098 330 2HG2 VAL 38 HG22 VAL 38 89.248 -4.282 1.430 331 3HG2 VAL 38 HG23 VAL 38 87.528 -4.623 1.240 332 H LYS 39 HN LYS 39 87.782 -7.978 -1.790 333 HA LYS 39 HA LYS 39 89.790 -10.015 -1.724 334 1HB LYS 39 HB2 LYS 39 87.178 -10.214 -1.645 335 2HB LYS 39 HB1 LYS 39 87.302 -10.246 -3.404 336 1HG LYS 39 HG2 LYS 39 88.748 -12.184 -3.334 337 2HG LYS 39 HG1 LYS 39 88.841 -12.110 -1.574 338 1HD LYS 39 HD2 LYS 39 86.382 -12.474 -1.463 339 2HD LYS 39 HD1 LYS 39 86.358 -12.660 -3.217 340 1HE LYS 39 HE2 LYS 39 88.044 -14.359 -1.356 341 2HE LYS 39 HE1 LYS 39 86.469 -14.845 -1.982 342 1HZ LYS 39 HZ1 LYS 39 88.683 -14.012 -3.759 343 2HZ LYS 39 HZ2 LYS 39 87.268 -14.861 -4.166 344 3HZ LYS 39 HZ3 LYS 39 88.487 -15.621 -3.259 345 H ASP 40 HN ASP 40 88.558 -7.959 -4.291 346 HA ASP 40 HA ASP 40 89.855 -9.347 -6.447 347 1HB ASP 40 HB2 ASP 40 88.624 -6.631 -6.107 348 2HB ASP 40 HB1 ASP 40 89.594 -6.964 -7.541 349 H THR 41 HN THR 41 90.965 -7.162 -4.020 350 HA THR 41 HA THR 41 93.068 -5.846 -5.313 351 HB THR 41 HB THR 41 93.286 -6.999 -2.519 352 HG1 THR 41 HG1 THR 41 91.523 -5.206 -3.575 353 1HG2 THR 41 HG21 THR 41 94.373 -4.507 -3.861 354 2HG2 THR 41 HG22 THR 41 95.304 -5.897 -3.302 355 3HG2 THR 41 HG23 THR 41 94.507 -4.843 -2.135 356 H CYS 42 HN CYS 42 93.473 -8.843 -3.435 357 HA CYS 42 HA CYS 42 95.933 -9.387 -5.009 358 1HB CYS 42 HB2 CYS 42 95.593 -11.283 -2.908 359 2HB CYS 42 HB1 CYS 42 96.792 -10.025 -3.038 360 HG CYS 42 HG CYS 42 94.862 -8.369 -1.988 361 HA PRO 43 HA PRO 43 93.496 -13.720 -4.841 362 1HB PRO 43 HB2 PRO 43 90.820 -12.382 -4.889 363 2HB PRO 43 HB1 PRO 43 91.285 -13.935 -4.180 364 1HG PRO 43 HG2 PRO 43 90.941 -11.767 -2.659 365 2HG PRO 43 HG1 PRO 43 92.140 -12.989 -2.295 366 1HD PRO 43 HD2 PRO 43 92.556 -10.257 -3.248 367 2HD PRO 43 HD1 PRO 43 93.611 -11.372 -2.420 368 H TRP 44 HN TRP 44 91.875 -10.931 -6.412 369 HA TRP 44 HA TRP 44 92.357 -12.287 -9.038 370 1HB TRP 44 HB2 TRP 44 89.978 -10.548 -8.380 371 2HB TRP 44 HB1 TRP 44 90.260 -11.473 -9.846 372 HD1 TRP 44 HD1 TRP 44 91.083 -14.220 -8.838 373 HE1 TRP 44 HE1 TRP 44 89.447 -15.721 -7.533 374 HE3 TRP 44 HE3 TRP 44 87.802 -10.697 -7.151 375 HZ2 TRP 44 HZ2 TRP 44 87.059 -15.460 -5.978 376 HZ3 TRP 44 HZ3 TRP 44 85.859 -11.342 -5.765 377 HH2 TRP 44 HH2 TRP 44 85.481 -13.720 -5.176 378 H PHE 45 HN PHE 45 90.820 -9.424 -9.514 379 HA PHE 45 HA PHE 45 92.853 -7.473 -9.108 380 1HB PHE 45 HB2 PHE 45 93.632 -9.221 -11.083 381 2HB PHE 45 HB1 PHE 45 92.808 -7.981 -12.021 382 HD1 PHE 45 HD1 PHE 45 94.088 -6.201 -12.764 383 HD2 PHE 45 HD2 PHE 45 95.157 -8.170 -9.093 384 HE1 PHE 45 HE1 PHE 45 96.049 -4.706 -12.531 385 HE2 PHE 45 HE2 PHE 45 97.120 -6.676 -8.867 386 HZ PHE 45 HZ PHE 45 97.566 -4.942 -10.583 387 HA PRO 46 HA PRO 46 89.469 -6.067 -12.381 388 1HB PRO 46 HB2 PRO 46 87.403 -8.120 -11.835 389 2HB PRO 46 HB1 PRO 46 87.952 -7.457 -13.384 390 1HG PRO 46 HG2 PRO 46 88.579 -9.936 -12.606 391 2HG PRO 46 HG1 PRO 46 89.699 -8.938 -13.551 392 1HD PRO 46 HD2 PRO 46 89.704 -9.543 -10.646 393 2HD PRO 46 HD1 PRO 46 91.080 -9.413 -11.754 394 H GLN 47 HN GLN 47 88.035 -4.485 -11.696 395 HA GLN 47 HA GLN 47 86.898 -4.801 -8.941 396 1HB GLN 47 HB2 GLN 47 87.072 -2.307 -8.796 397 2HB GLN 47 HB1 GLN 47 88.636 -3.112 -8.927 398 1HG GLN 47 HG2 GLN 47 88.752 -2.621 -11.303 399 2HG GLN 47 HG1 GLN 47 87.122 -1.947 -11.281 400 1HE2 GLN 47 HE21 GLN 47 88.333 0.056 -12.129 401 2HE2 GLN 47 HE22 GLN 47 89.011 1.107 -10.980 402 H GLU 48 HN GLU 48 84.890 -3.489 -8.596 403 HA GLU 48 HA GLU 48 83.012 -3.974 -10.757 404 1HB GLU 48 HB2 GLU 48 82.755 -2.601 -8.073 405 2HB GLU 48 HB1 GLU 48 81.402 -2.786 -9.191 406 1HG GLU 48 HG2 GLU 48 81.595 -5.199 -9.125 407 2HG GLU 48 HG1 GLU 48 83.076 -5.097 -8.171 408 H GLY 49 HN GLY 49 81.623 -2.245 -11.682 409 1HA GLY 49 HA2 GLY 49 83.263 0.155 -12.292 410 2HA GLY 49 HA1 GLY 49 81.896 -0.415 -13.242 411 H THR 50 HN THR 50 80.865 -0.697 -10.149 412 HA THR 50 HA THR 50 79.778 2.099 -10.117 413 HB THR 50 HB THR 50 78.437 -0.462 -9.203 414 HG1 THR 50 HG1 THR 50 78.429 1.027 -11.530 415 1HG2 THR 50 HG21 THR 50 76.566 1.591 -9.396 416 2HG2 THR 50 HG22 THR 50 77.968 2.362 -8.645 417 3HG2 THR 50 HG23 THR 50 77.238 0.936 -7.902 418 H ILE 51 HN ILE 51 80.650 3.200 -8.448 419 HA ILE 51 HA ILE 51 80.918 1.785 -5.841 420 HB ILE 51 HB ILE 51 83.124 2.214 -7.313 421 1HG1 ILE 51 HG12 ILE 51 83.116 1.107 -5.147 422 2HG1 ILE 51 HG11 ILE 51 84.363 2.346 -5.145 423 1HG2 ILE 51 HG21 ILE 51 82.642 4.680 -7.426 424 2HG2 ILE 51 HG22 ILE 51 84.203 4.303 -6.715 425 3HG2 ILE 51 HG23 ILE 51 82.871 4.769 -5.679 426 1HD1 ILE 51 HD11 ILE 51 83.282 2.706 -3.091 427 2HD1 ILE 51 HD12 ILE 51 81.697 2.367 -3.759 428 3HD1 ILE 51 HD13 ILE 51 82.504 3.881 -4.138 429 H ASP 52 HN ASP 52 80.069 2.981 -4.180 430 HA ASP 52 HA ASP 52 78.797 5.522 -4.755 431 1HB ASP 52 HB2 ASP 52 79.214 3.884 -2.248 432 2HB ASP 52 HB1 ASP 52 78.467 5.482 -2.187 433 H ILE 53 HN ILE 53 79.623 7.544 -4.494 434 HA ILE 53 HA ILE 53 82.409 7.940 -3.938 435 HB ILE 53 HB ILE 53 80.089 9.882 -4.033 436 1HG1 ILE 53 HG12 ILE 53 82.364 9.452 -5.981 437 2HG1 ILE 53 HG11 ILE 53 80.810 8.633 -6.132 438 1HG2 ILE 53 HG21 ILE 53 82.257 11.426 -4.457 439 2HG2 ILE 53 HG22 ILE 53 82.968 10.242 -3.362 440 3HG2 ILE 53 HG23 ILE 53 81.568 11.184 -2.851 441 1HD1 ILE 53 HD11 ILE 53 79.836 10.477 -6.992 442 2HD1 ILE 53 HD12 ILE 53 81.452 11.174 -7.118 443 3HD1 ILE 53 HD13 ILE 53 80.465 11.487 -5.691 444 H LYS 54 HN LYS 54 79.481 8.418 -1.970 445 HA LYS 54 HA LYS 54 80.713 9.594 0.286 446 1HB LYS 54 HB2 LYS 54 78.335 7.723 0.063 447 2HB LYS 54 HB1 LYS 54 78.800 8.508 1.571 448 1HG LYS 54 HG2 LYS 54 78.485 10.199 -0.879 449 2HG LYS 54 HG1 LYS 54 77.030 9.643 -0.050 450 1HD LYS 54 HD2 LYS 54 77.888 10.597 2.070 451 2HD LYS 54 HD1 LYS 54 79.320 11.179 1.225 452 1HE LYS 54 HE2 LYS 54 77.866 12.530 -0.266 453 2HE LYS 54 HE1 LYS 54 76.458 11.985 0.647 454 1HZ LYS 54 HZ1 LYS 54 77.692 14.208 1.237 455 2HZ LYS 54 HZ2 LYS 54 78.690 13.161 2.128 456 3HZ LYS 54 HZ3 LYS 54 77.023 13.227 2.448 457 H PHE 55 HN PHE 55 80.314 6.159 -0.557 458 HA PHE 55 HA PHE 55 81.637 5.256 1.875 459 1HB PHE 55 HB2 PHE 55 79.987 3.836 0.725 460 2HB PHE 55 HB1 PHE 55 81.026 3.776 -0.699 461 HD1 PHE 55 HD1 PHE 55 82.658 2.101 -0.889 462 HD2 PHE 55 HD2 PHE 55 81.040 3.047 2.975 463 HE1 PHE 55 HE1 PHE 55 83.899 0.197 0.097 464 HE2 PHE 55 HE2 PHE 55 82.283 1.141 3.963 465 HZ PHE 55 HZ PHE 55 83.715 -0.281 2.527 466 H TRP 56 HN TRP 56 82.653 6.230 -1.301 467 HA TRP 56 HA TRP 56 85.127 4.859 -1.463 468 1HB TRP 56 HB2 TRP 56 84.392 6.024 -3.410 469 2HB TRP 56 HB1 TRP 56 84.241 7.537 -2.536 470 HD1 TRP 56 HD1 TRP 56 87.281 5.252 -2.191 471 HE1 TRP 56 HE1 TRP 56 89.352 6.504 -3.069 472 HE3 TRP 56 HE3 TRP 56 85.044 9.430 -4.095 473 HZ2 TRP 56 HZ2 TRP 56 89.981 8.953 -4.404 474 HZ3 TRP 56 HZ3 TRP 56 86.403 11.205 -5.164 475 HH2 TRP 56 HH2 TRP 56 88.866 10.972 -5.320 476 H ARG 57 HN ARG 57 84.261 7.887 0.168 477 HA ARG 57 HA ARG 57 86.864 8.762 0.856 478 1HB ARG 57 HB2 ARG 57 84.339 8.967 2.534 479 2HB ARG 57 HB1 ARG 57 85.779 9.965 2.707 480 1HG ARG 57 HG2 ARG 57 84.104 9.802 0.186 481 2HG ARG 57 HG1 ARG 57 83.973 11.089 1.385 482 1HD ARG 57 HD2 ARG 57 86.600 11.252 0.985 483 2HD ARG 57 HD1 ARG 57 86.177 10.514 -0.555 484 HE ARG 57 HE ARG 57 84.541 12.839 0.150 485 1HH1 ARG 57 HH21 ARG 57 87.382 11.591 -1.356 486 2HH1 ARG 57 HH22 ARG 57 87.580 12.950 -2.411 487 1HH2 ARG 57 HH11 ARG 57 84.782 14.618 -1.220 488 2HH2 ARG 57 HH12 ARG 57 86.109 14.664 -2.335 489 H ARG 58 HN ARG 58 84.691 6.505 2.576 490 HA ARG 58 HA ARG 58 86.495 6.034 4.770 491 1HB ARG 58 HB2 ARG 58 84.253 4.349 3.615 492 2HB ARG 58 HB1 ARG 58 85.102 3.967 5.114 493 1HG ARG 58 HG2 ARG 58 84.401 6.077 6.106 494 2HG ARG 58 HG1 ARG 58 83.648 6.575 4.591 495 1HD ARG 58 HD2 ARG 58 81.919 5.724 6.078 496 2HD ARG 58 HD1 ARG 58 82.137 4.586 4.747 497 HE ARG 58 HE ARG 58 82.973 3.004 6.298 498 1HH1 ARG 58 HH21 ARG 58 82.819 6.193 7.601 499 2HH1 ARG 58 HH22 ARG 58 83.181 5.693 9.220 500 1HH2 ARG 58 HH11 ARG 58 83.447 2.333 8.405 501 2HH2 ARG 58 HH12 ARG 58 83.536 3.507 9.674 502 H VAL 59 HN VAL 59 86.018 4.442 1.631 503 HA VAL 59 HA VAL 59 87.771 2.237 2.087 504 HB VAL 59 HB VAL 59 87.001 3.686 -0.461 505 1HG1 VAL 59 HG11 VAL 59 87.774 1.191 -1.240 506 2HG1 VAL 59 HG12 VAL 59 88.927 1.498 0.059 507 3HG1 VAL 59 HG13 VAL 59 88.824 2.605 -1.309 508 1HG2 VAL 59 HG21 VAL 59 86.134 0.918 0.008 509 2HG2 VAL 59 HG22 VAL 59 85.189 2.319 -0.495 510 3HG2 VAL 59 HG23 VAL 59 85.526 2.052 1.215 511 H GLY 60 HN GLY 60 88.377 5.479 0.738 512 1HA GLY 60 HA2 GLY 60 91.104 5.128 0.073 513 2HA GLY 60 HA1 GLY 60 90.388 6.671 0.540 514 H ASP 61 HN ASP 61 89.681 6.273 3.153 515 HA ASP 61 HA ASP 61 92.196 6.491 4.520 516 1HB ASP 61 HB2 ASP 61 90.055 7.540 5.292 517 2HB ASP 61 HB1 ASP 61 89.471 5.934 5.729 518 H CYS 62 HN CYS 62 89.903 3.826 4.096 519 HA CYS 62 HA CYS 62 91.121 2.052 5.997 520 1HB CYS 62 HB2 CYS 62 89.536 1.425 3.486 521 2HB CYS 62 HB1 CYS 62 89.907 0.271 4.770 522 HG CYS 62 HG CYS 62 88.493 1.832 6.411 523 H PHE 63 HN PHE 63 91.410 2.153 2.424 524 HA PHE 63 HA PHE 63 93.491 0.209 2.273 525 1HB PHE 63 HB2 PHE 63 92.351 2.272 0.470 526 2HB PHE 63 HB1 PHE 63 93.989 1.735 0.095 527 HD1 PHE 63 HD1 PHE 63 90.994 -0.038 1.504 528 HD2 PHE 63 HD2 PHE 63 93.915 0.170 -1.640 529 HE1 PHE 63 HE1 PHE 63 90.083 -2.123 0.520 530 HE2 PHE 63 HE2 PHE 63 93.005 -1.915 -2.623 531 HZ PHE 63 HZ PHE 63 91.089 -3.063 -1.543 532 H GLN 64 HN GLN 64 93.576 3.725 2.700 533 HA GLN 64 HA GLN 64 96.407 4.031 2.414 534 1HB GLN 64 HB2 GLN 64 94.747 5.915 2.421 535 2HB GLN 64 HB1 GLN 64 94.539 5.667 4.155 536 1HG GLN 64 HG2 GLN 64 96.906 6.129 4.542 537 2HG GLN 64 HG1 GLN 64 97.183 6.284 2.807 538 1HE2 GLN 64 HE21 GLN 64 97.210 8.426 2.129 539 2HE2 GLN 64 HE22 GLN 64 96.330 9.690 2.842 540 H ASP 65 HN ASP 65 94.350 3.254 5.203 541 HA ASP 65 HA ASP 65 96.384 3.433 7.199 542 1HB ASP 65 HB2 ASP 65 93.858 1.774 7.019 543 2HB ASP 65 HB1 ASP 65 94.893 1.779 8.448 544 H TYR 66 HN TYR 66 95.323 0.715 5.154 545 HA TYR 66 HA TYR 66 97.094 -1.223 6.302 546 1HB TYR 66 HB2 TYR 66 95.726 -1.015 3.619 547 2HB TYR 66 HB1 TYR 66 96.775 -2.372 4.025 548 HD1 TYR 66 HD1 TYR 66 93.459 -1.117 4.200 549 HD2 TYR 66 HD2 TYR 66 96.289 -3.539 6.337 550 HE1 TYR 66 HE1 TYR 66 91.602 -2.182 5.447 551 HE2 TYR 66 HE2 TYR 66 94.431 -4.608 7.583 552 HH TYR 66 HH TYR 66 92.140 -4.164 8.203 553 H TYR 67 HN TYR 67 97.485 1.160 3.721 554 HA TYR 67 HA TYR 67 99.961 0.196 2.690 555 1HB TYR 67 HB2 TYR 67 99.133 1.847 1.320 556 2HB TYR 67 HB1 TYR 67 98.497 2.791 2.666 557 HD1 TYR 67 HD1 TYR 67 101.620 1.842 0.873 558 HD2 TYR 67 HD2 TYR 67 99.775 4.529 3.671 559 HE1 TYR 67 HE1 TYR 67 103.637 3.283 0.818 560 HE2 TYR 67 HE2 TYR 67 101.793 5.970 3.616 561 HH TYR 67 HH TYR 67 104.737 4.954 2.103 562 H ASN 68 HN ASN 68 99.376 2.775 5.100 563 HA ASN 68 HA ASN 68 102.140 3.111 5.752 564 1HB ASN 68 HB2 ASN 68 100.527 4.831 6.330 565 2HB ASN 68 HB1 ASN 68 99.656 3.705 7.366 566 1HD2 ASN 68 HD21 ASN 68 100.289 5.679 8.916 567 2HD2 ASN 68 HD22 ASN 68 101.740 5.477 9.772 568 H THR 69 HN THR 69 99.633 0.984 7.016 569 HA THR 69 HA THR 69 101.125 0.060 9.287 570 HB THR 69 HB THR 69 98.947 -1.347 7.711 571 HG1 THR 69 HG1 THR 69 97.754 -0.533 9.632 572 1HG2 THR 69 HG21 THR 69 98.609 -2.601 9.831 573 2HG2 THR 69 HG22 THR 69 100.033 -1.807 10.504 574 3HG2 THR 69 HG23 THR 69 100.199 -2.904 9.134 575 H PHE 70 HN PHE 70 100.723 -1.256 5.998 576 HA PHE 70 HA PHE 70 103.055 -3.053 6.548 577 1HB PHE 70 HB2 PHE 70 100.695 -3.360 4.688 578 2HB PHE 70 HB1 PHE 70 102.105 -4.412 4.627 579 HD1 PHE 70 HD1 PHE 70 102.773 -5.678 6.746 580 HD2 PHE 70 HD2 PHE 70 98.978 -3.721 6.286 581 HE1 PHE 70 HE1 PHE 70 101.849 -7.033 8.605 582 HE2 PHE 70 HE2 PHE 70 98.053 -5.077 8.145 583 HZ PHE 70 HZ PHE 70 99.489 -6.733 9.305 584 H GLY 71 HN GLY 71 101.470 -1.249 3.899 585 1HA GLY 71 HA2 GLY 71 103.241 0.410 2.862 586 2HA GLY 71 HA1 GLY 71 104.121 -1.075 2.550 587 HA PRO 72 HA PRO 72 101.344 -0.120 -1.085 588 1HB PRO 72 HB2 PRO 72 103.717 -0.914 -2.625 589 2HB PRO 72 HB1 PRO 72 102.766 0.577 -2.721 590 1HG PRO 72 HG2 PRO 72 105.274 0.449 -1.694 591 2HG PRO 72 HG1 PRO 72 104.072 1.655 -1.212 592 1HD PRO 72 HD2 PRO 72 105.006 -0.761 0.258 593 2HD PRO 72 HD1 PRO 72 104.418 0.791 0.889 594 H GLU 73 HN GLU 73 103.362 -2.805 -0.127 595 HA GLU 73 HA GLU 73 102.702 -4.732 -2.068 596 1HB GLU 73 HB2 GLU 73 103.098 -5.046 0.923 597 2HB GLU 73 HB1 GLU 73 102.992 -6.403 -0.199 598 1HG GLU 73 HG2 GLU 73 104.938 -5.585 -1.429 599 2HG GLU 73 HG1 GLU 73 105.019 -4.156 -0.398 600 H LYS 74 HN LYS 74 100.962 -4.057 0.992 601 HA LYS 74 HA LYS 74 98.772 -5.807 0.392 602 1HB LYS 74 HB2 LYS 74 98.856 -3.359 2.183 603 2HB LYS 74 HB1 LYS 74 97.605 -4.597 2.208 604 1HG LYS 74 HG2 LYS 74 100.541 -5.053 2.793 605 2HG LYS 74 HG1 LYS 74 99.246 -4.999 3.990 606 1HD LYS 74 HD2 LYS 74 98.169 -6.867 2.477 607 2HD LYS 74 HD1 LYS 74 99.834 -7.101 1.938 608 1HE LYS 74 HE2 LYS 74 100.566 -7.399 4.259 609 2HE LYS 74 HE1 LYS 74 98.911 -7.160 4.818 610 1HZ LYS 74 HZ1 LYS 74 99.200 -9.464 4.688 611 2HZ LYS 74 HZ2 LYS 74 99.982 -9.379 3.181 612 3HZ LYS 74 HZ3 LYS 74 98.316 -9.064 3.297 613 H VAL 75 HN VAL 75 99.227 -2.321 -0.080 614 HA VAL 75 HA VAL 75 97.054 -2.427 -2.123 615 HB VAL 75 HB VAL 75 96.311 -0.156 -1.261 616 1HG1 VAL 75 HG11 VAL 75 94.994 -2.190 -0.902 617 2HG1 VAL 75 HG12 VAL 75 94.934 -1.175 0.538 618 3HG1 VAL 75 HG13 VAL 75 95.974 -2.599 0.506 619 1HG2 VAL 75 HG21 VAL 75 97.265 -0.847 1.438 620 2HG2 VAL 75 HG22 VAL 75 97.211 0.720 0.631 621 3HG2 VAL 75 HG23 VAL 75 98.553 -0.383 0.328 622 HA PRO 76 HA PRO 76 100.931 -0.469 -3.746 623 1HB PRO 76 HB2 PRO 76 99.694 -1.504 -6.248 624 2HB PRO 76 HB1 PRO 76 101.361 -1.673 -5.664 625 1HG PRO 76 HG2 PRO 76 99.687 -3.730 -5.610 626 2HG PRO 76 HG1 PRO 76 100.832 -3.446 -4.287 627 1HD PRO 76 HD2 PRO 76 97.887 -2.863 -4.380 628 2HD PRO 76 HD1 PRO 76 98.870 -3.525 -3.048 629 H VAL 77 HN VAL 77 101.140 1.448 -5.033 630 HA VAL 77 HA VAL 77 99.046 3.310 -4.940 631 HB VAL 77 HB VAL 77 101.305 3.200 -6.959 632 1HG1 VAL 77 HG11 VAL 77 100.826 5.826 -6.527 633 2HG1 VAL 77 HG12 VAL 77 99.195 5.193 -6.312 634 3HG1 VAL 77 HG13 VAL 77 100.056 4.916 -7.825 635 1HG2 VAL 77 HG21 VAL 77 101.949 3.119 -4.512 636 2HG2 VAL 77 HG22 VAL 77 101.147 4.678 -4.316 637 3HG2 VAL 77 HG23 VAL 77 102.549 4.534 -5.375 638 H THR 78 HN THR 78 99.126 0.549 -6.811 639 HA THR 78 HA THR 78 97.982 1.446 -9.274 640 HB THR 78 HB THR 78 97.360 -0.885 -9.614 641 HG1 THR 78 HG1 THR 78 97.607 -0.921 -6.826 642 1HG2 THR 78 HG21 THR 78 99.592 -1.973 -8.804 643 2HG2 THR 78 HG22 THR 78 100.003 -0.346 -8.277 644 3HG2 THR 78 HG23 THR 78 99.662 -0.660 -9.977 645 H ALA 79 HN ALA 79 96.562 0.472 -6.165 646 HA ALA 79 HA ALA 79 93.843 0.391 -6.933 647 1HB ALA 79 HB1 ALA 79 93.580 0.020 -4.725 648 2HB ALA 79 HB2 ALA 79 94.122 1.656 -4.348 649 3HB ALA 79 HB3 ALA 79 95.298 0.352 -4.507 650 H PHE 80 HN PHE 80 95.837 3.173 -5.933 651 HA PHE 80 HA PHE 80 93.742 5.115 -6.025 652 1HB PHE 80 HB2 PHE 80 96.734 5.352 -6.429 653 2HB PHE 80 HB1 PHE 80 95.656 6.746 -6.371 654 HD1 PHE 80 HD1 PHE 80 94.811 7.574 -4.304 655 HD2 PHE 80 HD2 PHE 80 96.840 3.793 -4.439 656 HE1 PHE 80 HE1 PHE 80 94.856 7.509 -1.825 657 HE2 PHE 80 HE2 PHE 80 96.892 3.727 -1.963 658 HZ PHE 80 HZ PHE 80 95.896 5.585 -0.654 659 H SER 81 HN SER 81 96.088 4.069 -8.510 660 HA SER 81 HA SER 81 95.204 5.850 -10.556 661 1HB SER 81 HB2 SER 81 96.438 3.087 -10.728 662 2HB SER 81 HB1 SER 81 96.190 4.136 -12.121 663 HG SER 81 HG SER 81 97.826 5.311 -11.504 664 H TYR 82 HN TYR 82 94.204 2.501 -9.805 665 HA TYR 82 HA TYR 82 92.258 2.313 -11.898 666 1HB TYR 82 HB2 TYR 82 92.706 0.863 -9.304 667 2HB TYR 82 HB1 TYR 82 91.233 0.568 -10.228 668 HD1 TYR 82 HD1 TYR 82 94.595 -0.426 -9.797 669 HD2 TYR 82 HD2 TYR 82 91.622 0.198 -12.836 670 HE1 TYR 82 HE1 TYR 82 95.844 -1.924 -11.328 671 HE2 TYR 82 HE2 TYR 82 92.873 -1.300 -14.366 672 HH TYR 82 HH TYR 82 95.978 -2.128 -13.994 673 H TRP 83 HN TRP 83 92.085 3.508 -8.571 674 HA TRP 83 HA TRP 83 89.230 3.856 -8.519 675 1HB TRP 83 HB2 TRP 83 91.086 3.984 -6.604 676 2HB TRP 83 HB1 TRP 83 90.995 5.705 -6.974 677 HD1 TRP 83 HD1 TRP 83 88.746 6.972 -6.443 678 HE1 TRP 83 HE1 TRP 83 86.700 6.359 -5.000 679 HE3 TRP 83 HE3 TRP 83 89.580 1.973 -5.811 680 HZ2 TRP 83 HZ2 TRP 83 85.568 4.050 -3.745 681 HZ3 TRP 83 HZ3 TRP 83 88.003 0.594 -4.489 682 HH2 TRP 83 HH2 TRP 83 85.997 1.625 -3.460 683 H ASN 84 HN ASN 84 91.915 5.879 -9.616 684 HA ASN 84 HA ASN 84 90.528 8.337 -9.910 685 1HB ASN 84 HB2 ASN 84 92.959 8.163 -10.202 686 2HB ASN 84 HB1 ASN 84 92.732 7.159 -11.635 687 1HD2 ASN 84 HD21 ASN 84 93.435 10.281 -10.784 688 2HD2 ASN 84 HD22 ASN 84 92.792 11.097 -12.127 689 H LEU 85 HN LEU 85 90.887 5.603 -12.182 690 HA LEU 85 HA LEU 85 89.317 6.769 -14.293 691 1HB LEU 85 HB2 LEU 85 89.886 3.895 -13.530 692 2HB LEU 85 HB1 LEU 85 88.976 4.328 -14.972 693 HG LEU 85 HG LEU 85 91.750 5.389 -14.350 694 1HD1 LEU 85 HD11 LEU 85 92.524 3.775 -16.076 695 2HD1 LEU 85 HD12 LEU 85 90.901 3.090 -16.136 696 3HD1 LEU 85 HD13 LEU 85 91.857 2.961 -14.660 697 1HD2 LEU 85 HD21 LEU 85 89.755 5.753 -16.532 698 2HD2 LEU 85 HD22 LEU 85 91.427 5.544 -17.038 699 3HD2 LEU 85 HD23 LEU 85 90.996 6.854 -15.942 700 H ILE 86 HN ILE 86 88.428 4.720 -11.520 701 HA ILE 86 HA ILE 86 85.672 4.426 -12.207 702 HB ILE 86 HB ILE 86 87.188 4.340 -9.596 703 1HG1 ILE 86 HG12 ILE 86 87.086 2.503 -11.505 704 2HG1 ILE 86 HG11 ILE 86 87.001 2.031 -9.809 705 1HG2 ILE 86 HG21 ILE 86 84.934 3.382 -8.714 706 2HG2 ILE 86 HG22 ILE 86 84.215 4.255 -10.066 707 3HG2 ILE 86 HG23 ILE 86 85.106 5.133 -8.827 708 1HD1 ILE 86 HD11 ILE 86 85.231 1.045 -11.418 709 2HD1 ILE 86 HD12 ILE 86 84.491 2.640 -11.372 710 3HD1 ILE 86 HD13 ILE 86 84.665 1.705 -9.888 711 H LYS 87 HN LYS 87 87.349 6.853 -10.200 712 HA LYS 87 HA LYS 87 85.107 8.326 -9.351 713 1HB LYS 87 HB2 LYS 87 87.425 8.763 -8.590 714 2HB LYS 87 HB1 LYS 87 87.812 9.426 -10.175 715 1HG LYS 87 HG2 LYS 87 86.136 11.176 -9.881 716 2HG LYS 87 HG1 LYS 87 85.657 10.493 -8.328 717 1HD LYS 87 HD2 LYS 87 87.945 10.894 -7.470 718 2HD LYS 87 HD1 LYS 87 88.391 11.607 -9.019 719 1HE LYS 87 HE2 LYS 87 86.706 13.360 -8.734 720 2HE LYS 87 HE1 LYS 87 86.176 12.629 -7.218 721 1HZ LYS 87 HZ1 LYS 87 88.487 14.267 -7.764 722 2HZ LYS 87 HZ2 LYS 87 88.821 12.888 -6.829 723 3HZ LYS 87 HZ3 LYS 87 87.657 14.010 -6.308 724 H GLU 88 HN GLU 88 86.956 8.629 -12.385 725 HA GLU 88 HA GLU 88 85.351 10.796 -13.409 726 1HB GLU 88 HB2 GLU 88 87.145 8.772 -14.776 727 2HB GLU 88 HB1 GLU 88 86.364 10.103 -15.627 728 1HG GLU 88 HG2 GLU 88 87.487 11.723 -14.161 729 2HG GLU 88 HG1 GLU 88 88.238 10.405 -13.262 730 H LEU 89 HN LEU 89 85.137 7.273 -13.603 731 HA LEU 89 HA LEU 89 83.126 7.189 -15.625 732 1HB LEU 89 HB2 LEU 89 84.419 5.192 -14.961 733 2HB LEU 89 HB1 LEU 89 83.672 5.232 -13.364 734 HG LEU 89 HG LEU 89 81.451 4.881 -14.383 735 1HD1 LEU 89 HD11 LEU 89 81.661 4.118 -16.912 736 2HD1 LEU 89 HD12 LEU 89 83.065 5.185 -16.889 737 3HD1 LEU 89 HD13 LEU 89 81.465 5.822 -16.507 738 1HD2 LEU 89 HD21 LEU 89 81.982 2.724 -14.048 739 2HD2 LEU 89 HD22 LEU 89 83.666 3.014 -14.482 740 3HD2 LEU 89 HD23 LEU 89 82.480 2.651 -15.738 741 H ILE 90 HN ILE 90 82.864 7.082 -12.067 742 HA ILE 90 HA ILE 90 79.973 7.096 -12.099 743 HB ILE 90 HB ILE 90 80.172 7.510 -9.680 744 1HG1 ILE 90 HG12 ILE 90 83.049 8.035 -10.418 745 2HG1 ILE 90 HG11 ILE 90 81.947 9.113 -9.565 746 1HG2 ILE 90 HG21 ILE 90 82.378 5.608 -10.452 747 2HG2 ILE 90 HG22 ILE 90 80.689 5.235 -10.787 748 3HG2 ILE 90 HG23 ILE 90 81.228 5.468 -9.124 749 1HD1 ILE 90 HD11 ILE 90 83.181 8.260 -7.799 750 2HD1 ILE 90 HD12 ILE 90 83.376 6.683 -8.556 751 3HD1 ILE 90 HD13 ILE 90 81.828 7.131 -7.839 752 H ASP 91 HN ASP 91 82.449 9.611 -11.623 753 HA ASP 91 HA ASP 91 80.640 11.746 -11.075 754 1HB ASP 91 HB2 ASP 91 83.416 11.678 -12.282 755 2HB ASP 91 HB1 ASP 91 82.557 13.189 -11.983 756 H LYS 92 HN LYS 92 82.097 10.691 -14.166 757 HA LYS 92 HA LYS 92 80.746 12.632 -15.778 758 1HB LYS 92 HB2 LYS 92 81.879 9.898 -16.412 759 2HB LYS 92 HB1 LYS 92 81.198 10.959 -17.644 760 1HG LYS 92 HG2 LYS 92 82.810 12.715 -17.053 761 2HG LYS 92 HG1 LYS 92 83.481 11.693 -15.786 762 1HD LYS 92 HD2 LYS 92 84.173 10.031 -17.443 763 2HD LYS 92 HD1 LYS 92 83.429 10.978 -18.732 764 1HE LYS 92 HE2 LYS 92 84.964 12.847 -18.253 765 2HE LYS 92 HE1 LYS 92 85.710 11.907 -16.962 766 1HZ LYS 92 HZ1 LYS 92 86.586 11.930 -19.478 767 2HZ LYS 92 HZ2 LYS 92 85.549 10.585 -19.536 768 3HZ LYS 92 HZ3 LYS 92 86.824 10.631 -18.413 769 H LYS 93 HN LYS 93 79.896 9.276 -14.916 770 HA LYS 93 HA LYS 93 77.350 9.451 -16.351 771 1HB LYS 93 HB2 LYS 93 78.572 7.301 -16.140 772 2HB LYS 93 HB1 LYS 93 78.342 7.359 -14.392 773 1HG LYS 93 HG2 LYS 93 75.906 7.322 -14.687 774 2HG LYS 93 HG1 LYS 93 76.105 7.333 -16.440 775 1HD LYS 93 HD2 LYS 93 77.313 5.182 -16.313 776 2HD LYS 93 HD1 LYS 93 77.094 5.168 -14.562 777 1HE LYS 93 HE2 LYS 93 74.667 5.116 -14.830 778 2HE LYS 93 HE1 LYS 93 74.833 5.233 -16.582 779 1HZ LYS 93 HZ1 LYS 93 75.399 2.972 -14.804 780 2HZ LYS 93 HZ2 LYS 93 76.329 3.140 -16.215 781 3HZ LYS 93 HZ3 LYS 93 74.641 2.989 -16.320 782 H GLU 94 HN GLU 94 75.312 9.720 -15.402 783 HA GLU 94 HA GLU 94 75.218 11.216 -12.932 784 1HB GLU 94 HB2 GLU 94 72.996 9.920 -14.544 785 2HB GLU 94 HB1 GLU 94 72.754 11.070 -13.230 786 1HG GLU 94 HG2 GLU 94 74.368 11.656 -15.726 787 2HG GLU 94 HG1 GLU 94 72.688 12.141 -15.494 788 H VAL 95 HN VAL 95 74.720 10.510 -10.872 789 HA VAL 95 HA VAL 95 73.953 7.646 -10.524 790 HB VAL 95 HB VAL 95 76.396 7.824 -10.196 791 1HG1 VAL 95 HG11 VAL 95 77.332 9.574 -9.123 792 2HG1 VAL 95 HG12 VAL 95 76.285 9.348 -7.720 793 3HG1 VAL 95 HG13 VAL 95 75.730 10.312 -9.089 794 1HG2 VAL 95 HG21 VAL 95 75.158 7.586 -7.459 795 2HG2 VAL 95 HG22 VAL 95 76.447 6.619 -8.176 796 3HG2 VAL 95 HG23 VAL 95 74.779 6.405 -8.713 797 H ASN 96 HN ASN 96 73.112 7.247 -8.276 798 HA ASN 96 HA ASN 96 71.846 9.723 -7.155 799 1HB ASN 96 HB2 ASN 96 70.222 8.293 -8.347 800 2HB ASN 96 HB1 ASN 96 70.646 6.952 -7.282 801 1HD2 ASN 96 HD21 ASN 96 69.854 10.454 -6.804 802 2HD2 ASN 96 HD22 ASN 96 68.757 10.178 -5.538 803 HA PRO 97 HA PRO 97 74.171 7.633 -3.772 804 1HB PRO 97 HB2 PRO 97 75.547 9.829 -2.935 805 2HB PRO 97 HB1 PRO 97 76.100 8.787 -4.258 806 1HG PRO 97 HG2 PRO 97 74.929 11.482 -4.351 807 2HG PRO 97 HG1 PRO 97 76.003 10.675 -5.498 808 1HD PRO 97 HD2 PRO 97 73.190 11.008 -5.733 809 2HD PRO 97 HD1 PRO 97 74.247 10.048 -6.783 810 H GLN 98 HN GLN 98 74.596 8.968 -1.417 811 HA GLN 98 HA GLN 98 71.968 9.140 -0.279 812 1HB GLN 98 HB2 GLN 98 74.652 10.073 0.783 813 2HB GLN 98 HB1 GLN 98 73.171 10.028 1.739 814 1HG GLN 98 HG2 GLN 98 72.980 7.611 1.384 815 2HG GLN 98 HG1 GLN 98 74.414 7.631 0.357 816 1HE2 GLN 98 HE21 GLN 98 74.893 5.966 2.326 817 2HE2 GLN 98 HE22 GLN 98 75.757 6.650 3.617 818 H VAL 99 HN VAL 99 74.335 11.642 -1.208 819 HA VAL 99 HA VAL 99 72.103 13.641 -1.056 820 HB VAL 99 HB VAL 99 75.031 13.961 -0.352 821 1HG1 VAL 99 HG11 VAL 99 74.075 16.376 0.180 822 2HG1 VAL 99 HG12 VAL 99 72.919 15.957 -1.084 823 3HG1 VAL 99 HG13 VAL 99 74.646 15.976 -1.440 824 1HG2 VAL 99 HG21 VAL 99 73.102 15.048 1.505 825 2HG2 VAL 99 HG22 VAL 99 74.310 13.794 1.779 826 3HG2 VAL 99 HG23 VAL 99 72.716 13.360 1.168 827 H MET 100 HN MET 100 71.696 14.647 -2.953 828 HA MET 100 HA MET 100 73.037 13.936 -5.366 829 1HB MET 100 HB2 MET 100 71.293 16.333 -4.716 830 2HB MET 100 HB1 MET 100 71.800 15.885 -6.346 831 1HG MET 100 HG2 MET 100 70.688 13.714 -6.130 832 2HG MET 100 HG1 MET 100 70.245 14.085 -4.466 833 1HE MET 100 HE1 MET 100 70.005 16.665 -7.715 834 2HE MET 100 HE2 MET 100 68.664 15.733 -8.373 835 3HE MET 100 HE3 MET 100 70.191 14.935 -8.023 Start of MODEL 3 1 1H MET 1 HT1 MET 1 74.791 -6.274 -1.337 2 2H MET 1 HT2 MET 1 74.354 -6.143 -2.974 3 3H MET 1 HT3 MET 1 74.963 -7.609 -2.368 4 HA MET 1 HA MET 1 72.985 -7.654 -0.826 5 1HB MET 1 HB2 MET 1 72.462 -5.222 -1.222 6 2HB MET 1 HB1 MET 1 71.964 -5.648 -2.859 7 1HG MET 1 HG2 MET 1 70.263 -7.176 -1.960 8 2HG MET 1 HG1 MET 1 70.776 -6.798 -0.317 9 1HE MET 1 HE1 MET 1 68.429 -4.275 -3.295 10 2HE MET 1 HE2 MET 1 68.204 -5.995 -2.987 11 3HE MET 1 HE3 MET 1 69.725 -5.421 -3.665 12 H GLY 2 HN GLY 2 71.239 -9.047 -1.558 13 1HA GLY 2 HA2 GLY 2 70.108 -10.423 -3.136 14 2HA GLY 2 HA1 GLY 2 71.091 -9.713 -4.416 15 H GLN 3 HN GLN 3 72.719 -10.869 -1.584 16 HA GLN 3 HA GLN 3 73.517 -13.351 -3.056 17 1HB GLN 3 HB2 GLN 3 75.239 -11.416 -3.038 18 2HB GLN 3 HB1 GLN 3 75.415 -11.780 -1.319 19 1HG GLN 3 HG2 GLN 3 77.101 -13.043 -2.490 20 2HG GLN 3 HG1 GLN 3 75.866 -14.181 -1.969 21 1HE2 GLN 3 HE21 GLN 3 75.868 -15.720 -3.654 22 2HE2 GLN 3 HE22 GLN 3 75.633 -15.333 -5.290 23 H GLU 4 HN GLU 4 74.253 -15.089 -1.625 24 HA GLU 4 HA GLU 4 72.568 -15.495 0.618 25 1HB GLU 4 HB2 GLU 4 75.225 -16.791 -0.073 26 2HB GLU 4 HB1 GLU 4 74.119 -17.387 1.162 27 1HG GLU 4 HG2 GLU 4 73.503 -18.666 -0.702 28 2HG GLU 4 HG1 GLU 4 72.342 -17.343 -0.762 29 H LEU 5 HN LEU 5 72.907 -15.244 2.844 30 HA LEU 5 HA LEU 5 75.095 -13.366 3.551 31 1HB LEU 5 HB2 LEU 5 72.541 -14.197 4.944 32 2HB LEU 5 HB1 LEU 5 73.767 -13.222 5.742 33 HG LEU 5 HG LEU 5 72.585 -12.461 3.060 34 1HD1 LEU 5 HD11 LEU 5 71.393 -10.735 4.736 35 2HD1 LEU 5 HD12 LEU 5 71.510 -12.120 5.821 36 3HD1 LEU 5 HD13 LEU 5 70.648 -12.271 4.290 37 1HD2 LEU 5 HD21 LEU 5 74.689 -11.427 4.730 38 2HD2 LEU 5 HD22 LEU 5 73.372 -10.265 4.713 39 3HD2 LEU 5 HD23 LEU 5 74.098 -10.795 3.198 40 H SER 6 HN SER 6 76.924 -14.583 3.933 41 HA SER 6 HA SER 6 76.781 -17.139 5.347 42 1HB SER 6 HB2 SER 6 79.177 -17.209 5.067 43 2HB SER 6 HB1 SER 6 78.488 -16.595 3.568 44 HG SER 6 HG SER 6 80.179 -15.264 4.171 45 H GLN 7 HN GLN 7 78.323 -17.407 7.311 46 HA GLN 7 HA GLN 7 77.375 -15.832 9.469 47 1HB GLN 7 HB2 GLN 7 79.952 -17.426 9.263 48 2HB GLN 7 HB1 GLN 7 79.242 -16.837 10.766 49 1HG GLN 7 HG2 GLN 7 77.803 -18.667 8.827 50 2HG GLN 7 HG1 GLN 7 78.674 -19.235 10.252 51 1HE2 GLN 7 HE21 GLN 7 75.611 -18.869 9.393 52 2HE2 GLN 7 HE22 GLN 7 74.926 -18.246 10.816 53 H HIS 8 HN HIS 8 80.372 -15.546 7.564 54 HA HIS 8 HA HIS 8 81.464 -13.367 9.086 55 1HB HIS 8 HB2 HIS 8 82.811 -14.739 7.520 56 2HB HIS 8 HB1 HIS 8 81.905 -14.068 6.167 57 HD2 HIS 8 HD2 HIS 8 82.964 -11.696 5.205 58 HE1 HIS 8 HE1 HIS 8 85.422 -10.767 8.512 59 HE2 HIS 8 HE2 HIS 8 84.755 -10.061 6.168 60 H GLU 9 HN GLU 9 79.498 -13.462 6.102 61 HA GLU 9 HA GLU 9 79.433 -10.641 5.698 62 1HB GLU 9 HB2 GLU 9 77.494 -12.824 4.911 63 2HB GLU 9 HB1 GLU 9 77.331 -11.150 4.381 64 1HG GLU 9 HG2 GLU 9 79.527 -11.239 3.311 65 2HG GLU 9 HG1 GLU 9 79.780 -12.880 3.911 66 H ARG 10 HN ARG 10 77.424 -12.796 7.638 67 HA ARG 10 HA ARG 10 75.403 -10.891 8.313 68 1HB ARG 10 HB2 ARG 10 76.437 -13.356 9.724 69 2HB ARG 10 HB1 ARG 10 75.099 -12.400 10.361 70 1HG ARG 10 HG2 ARG 10 73.809 -12.767 8.333 71 2HG ARG 10 HG1 ARG 10 75.161 -13.605 7.580 72 1HD ARG 10 HD2 ARG 10 75.056 -15.346 9.330 73 2HD ARG 10 HD1 ARG 10 73.696 -14.507 10.077 74 HE ARG 10 HE ARG 10 73.200 -15.122 7.281 75 1HH1 ARG 10 HH21 ARG 10 73.241 -16.309 10.517 76 2HH1 ARG 10 HH22 ARG 10 72.051 -17.532 10.225 77 1HH2 ARG 10 HH11 ARG 10 71.646 -16.714 6.880 78 2HH2 ARG 10 HH12 ARG 10 71.148 -17.762 8.166 79 H TYR 11 HN TYR 11 78.513 -11.678 9.818 80 HA TYR 11 HA TYR 11 78.238 -10.020 12.121 81 1HB TYR 11 HB2 TYR 11 80.065 -11.629 11.932 82 2HB TYR 11 HB1 TYR 11 80.723 -10.758 10.547 83 HD1 TYR 11 HD1 TYR 11 79.922 -10.431 14.176 84 HD2 TYR 11 HD2 TYR 11 82.145 -8.884 10.841 85 HE1 TYR 11 HE1 TYR 11 81.187 -8.946 15.708 86 HE2 TYR 11 HE2 TYR 11 83.410 -7.399 12.373 87 HH TYR 11 HH TYR 11 82.786 -6.349 14.844 88 H VAL 12 HN VAL 12 79.282 -9.304 8.805 89 HA VAL 12 HA VAL 12 80.212 -6.647 9.264 90 HB VAL 12 HB VAL 12 78.806 -7.732 6.805 91 1HG1 VAL 12 HG11 VAL 12 80.319 -5.981 5.704 92 2HG1 VAL 12 HG12 VAL 12 80.558 -5.328 7.325 93 3HG1 VAL 12 HG13 VAL 12 78.943 -5.361 6.619 94 1HG2 VAL 12 HG21 VAL 12 80.616 -9.182 7.133 95 2HG2 VAL 12 HG22 VAL 12 81.633 -7.910 7.818 96 3HG2 VAL 12 HG23 VAL 12 81.305 -7.939 6.085 97 H GLU 13 HN GLU 13 76.956 -7.876 8.451 98 HA GLU 13 HA GLU 13 75.632 -5.379 8.255 99 1HB GLU 13 HB2 GLU 13 74.618 -7.617 7.734 100 2HB GLU 13 HB1 GLU 13 74.495 -7.916 9.467 101 1HG GLU 13 HG2 GLU 13 73.079 -5.922 9.727 102 2HG GLU 13 HG1 GLU 13 73.219 -5.589 8.000 103 H GLN 14 HN GLN 14 76.151 -7.426 11.148 104 HA GLN 14 HA GLN 14 74.885 -5.616 12.979 105 1HB GLN 14 HB2 GLN 14 75.390 -7.970 13.554 106 2HB GLN 14 HB1 GLN 14 77.115 -7.609 13.496 107 1HG GLN 14 HG2 GLN 14 76.881 -6.006 15.327 108 2HG GLN 14 HG1 GLN 14 75.134 -6.251 15.348 109 1HE2 GLN 14 HE21 GLN 14 74.450 -7.745 16.881 110 2HE2 GLN 14 HE22 GLN 14 75.395 -9.012 17.501 111 H LEU 15 HN LEU 15 78.199 -5.897 11.762 112 HA LEU 15 HA LEU 15 79.366 -4.002 13.531 113 1HB LEU 15 HB2 LEU 15 80.765 -5.455 12.137 114 2HB LEU 15 HB1 LEU 15 80.105 -4.724 10.673 115 HG LEU 15 HG LEU 15 81.087 -2.561 11.268 116 1HD1 LEU 15 HD11 LEU 15 81.682 -4.023 13.821 117 2HD1 LEU 15 HD12 LEU 15 81.060 -2.386 13.590 118 3HD1 LEU 15 HD13 LEU 15 82.764 -2.733 13.299 119 1HD2 LEU 15 HD21 LEU 15 83.200 -4.678 11.682 120 2HD2 LEU 15 HD22 LEU 15 83.376 -3.104 10.906 121 3HD2 LEU 15 HD23 LEU 15 82.449 -4.380 10.114 122 H LYS 16 HN LYS 16 77.789 -3.638 10.377 123 HA LYS 16 HA LYS 16 78.281 -0.859 10.017 124 1HB LYS 16 HB2 LYS 16 77.310 -2.445 8.301 125 2HB LYS 16 HB1 LYS 16 75.781 -2.355 9.177 126 1HG LYS 16 HG2 LYS 16 75.749 0.092 8.863 127 2HG LYS 16 HG1 LYS 16 77.268 0.000 7.980 128 1HD LYS 16 HD2 LYS 16 76.197 -1.470 6.301 129 2HD LYS 16 HD1 LYS 16 74.670 -1.335 7.171 130 1HE LYS 16 HE2 LYS 16 74.691 1.114 6.825 131 2HE LYS 16 HE1 LYS 16 76.209 0.972 5.943 132 1HZ LYS 16 HZ1 LYS 16 75.189 -0.186 4.220 133 2HZ LYS 16 HZ2 LYS 16 74.068 1.033 4.600 134 3HZ LYS 16 HZ3 LYS 16 73.813 -0.557 5.139 135 H GLN 17 HN GLN 17 75.636 -2.566 11.703 136 HA GLN 17 HA GLN 17 74.028 -0.330 12.328 137 1HB GLN 17 HB2 GLN 17 74.597 -2.853 13.903 138 2HB GLN 17 HB1 GLN 17 73.372 -1.676 14.380 139 1HG GLN 17 HG2 GLN 17 72.233 -1.966 12.218 140 2HG GLN 17 HG1 GLN 17 73.466 -3.123 11.712 141 1HE2 GLN 17 HE21 GLN 17 70.376 -3.064 12.856 142 2HE2 GLN 17 HE22 GLN 17 70.352 -4.525 13.719 143 H ALA 18 HN ALA 18 76.837 -1.662 14.077 144 HA ALA 18 HA ALA 18 76.788 0.252 16.217 145 1HB ALA 18 HB1 ALA 18 78.865 -1.575 15.049 146 2HB ALA 18 HB2 ALA 18 78.167 -1.574 16.669 147 3HB ALA 18 HB3 ALA 18 79.354 -0.348 16.220 148 H LEU 19 HN LEU 19 78.272 0.275 13.000 149 HA LEU 19 HA LEU 19 79.821 2.655 13.343 150 1HB LEU 19 HB2 LEU 19 78.563 1.431 10.870 151 2HB LEU 19 HB1 LEU 19 79.670 2.792 10.820 152 HG LEU 19 HG LEU 19 80.327 0.122 12.090 153 1HD1 LEU 19 HD11 LEU 19 81.932 0.588 9.819 154 2HD1 LEU 19 HD12 LEU 19 80.279 0.942 9.316 155 3HD1 LEU 19 HD13 LEU 19 80.675 -0.635 9.998 156 1HD2 LEU 19 HD21 LEU 19 81.682 2.749 11.877 157 2HD2 LEU 19 HD22 LEU 19 82.684 1.363 11.462 158 3HD2 LEU 19 HD23 LEU 19 81.914 1.453 13.044 159 H LYS 20 HN LYS 20 76.463 2.115 12.352 160 HA LYS 20 HA LYS 20 75.836 4.795 11.625 161 1HB LYS 20 HB2 LYS 20 74.127 2.600 12.822 162 2HB LYS 20 HB1 LYS 20 73.468 4.139 12.265 163 1HG LYS 20 HG2 LYS 20 74.420 3.713 10.015 164 2HG LYS 20 HG1 LYS 20 75.021 2.153 10.578 165 1HD LYS 20 HD2 LYS 20 72.706 1.452 11.095 166 2HD LYS 20 HD1 LYS 20 72.110 3.007 10.516 167 1HE LYS 20 HE2 LYS 20 73.099 2.525 8.284 168 2HE LYS 20 HE1 LYS 20 73.604 0.948 8.878 169 1HZ LYS 20 HZ1 LYS 20 70.796 1.732 9.151 170 2HZ LYS 20 HZ2 LYS 20 71.472 0.183 8.982 171 3HZ LYS 20 HZ3 LYS 20 71.357 1.215 7.638 172 H THR 21 HN THR 21 75.778 3.153 14.777 173 HA THR 21 HA THR 21 74.648 5.284 16.292 174 HB THR 21 HB THR 21 76.790 3.392 17.289 175 HG1 THR 21 HG1 THR 21 75.419 1.835 17.061 176 1HG2 THR 21 HG21 THR 21 74.364 4.234 18.819 177 2HG2 THR 21 HG22 THR 21 75.668 5.405 18.620 178 3HG2 THR 21 HG23 THR 21 75.985 3.858 19.404 179 H ARG 22 HN ARG 22 77.996 4.633 15.307 180 HA ARG 22 HA ARG 22 79.150 6.791 16.827 181 1HB ARG 22 HB2 ARG 22 80.118 5.359 14.333 182 2HB ARG 22 HB1 ARG 22 81.088 6.500 15.264 183 1HG ARG 22 HG2 ARG 22 80.844 5.079 17.266 184 2HG ARG 22 HG1 ARG 22 79.877 3.934 16.334 185 1HD ARG 22 HD2 ARG 22 81.781 3.558 14.812 186 2HD ARG 22 HD1 ARG 22 82.753 4.696 15.745 187 HE ARG 22 HE ARG 22 81.666 2.547 17.383 188 1HH1 ARG 22 HH21 ARG 22 84.150 3.543 15.208 189 2HH1 ARG 22 HH22 ARG 22 85.319 2.422 15.822 190 1HH2 ARG 22 HH11 ARG 22 83.180 1.080 18.195 191 2HH2 ARG 22 HH12 ARG 22 84.770 1.028 17.512 192 H GLY 23 HN GLY 23 77.299 6.670 13.926 193 1HA GLY 23 HA2 GLY 23 76.358 8.796 13.094 194 2HA GLY 23 HA1 GLY 23 77.899 9.564 13.455 195 H VAL 24 HN VAL 24 77.177 6.512 11.761 196 HA VAL 24 HA VAL 24 78.624 7.625 9.382 197 HB VAL 24 HB VAL 24 78.682 4.859 10.581 198 1HG1 VAL 24 HG11 VAL 24 80.335 4.653 8.472 199 2HG1 VAL 24 HG12 VAL 24 79.171 5.796 7.804 200 3HG1 VAL 24 HG13 VAL 24 78.627 4.218 8.382 201 1HG2 VAL 24 HG21 VAL 24 80.270 6.978 11.115 202 2HG2 VAL 24 HG22 VAL 24 81.105 6.342 9.698 203 3HG2 VAL 24 HG23 VAL 24 80.873 5.321 11.117 204 H LYS 25 HN LYS 25 77.552 7.455 7.454 205 HA LYS 25 HA LYS 25 75.078 5.778 7.390 206 1HB LYS 25 HB2 LYS 25 75.514 8.480 6.089 207 2HB LYS 25 HB1 LYS 25 74.056 7.501 5.969 208 1HG LYS 25 HG2 LYS 25 75.131 8.309 8.661 209 2HG LYS 25 HG1 LYS 25 74.111 9.413 7.740 210 1HD LYS 25 HD2 LYS 25 72.384 7.602 7.584 211 2HD LYS 25 HD1 LYS 25 73.385 6.603 8.631 212 1HE LYS 25 HE2 LYS 25 73.285 8.351 10.380 213 2HE LYS 25 HE1 LYS 25 72.223 9.301 9.340 214 1HZ LYS 25 HZ1 LYS 25 70.853 7.119 9.280 215 2HZ LYS 25 HZ2 LYS 25 70.723 8.159 10.617 216 3HZ LYS 25 HZ3 LYS 25 71.685 6.760 10.714 217 H VAL 26 HN VAL 26 75.669 4.079 6.135 218 HA VAL 26 HA VAL 26 76.777 4.721 3.439 219 HB VAL 26 HB VAL 26 77.773 2.619 5.379 220 1HG1 VAL 26 HG11 VAL 26 77.619 1.496 3.269 221 2HG1 VAL 26 HG12 VAL 26 79.295 1.998 3.430 222 3HG1 VAL 26 HG13 VAL 26 78.197 2.915 2.397 223 1HG2 VAL 26 HG21 VAL 26 79.040 4.954 3.933 224 2HG2 VAL 26 HG22 VAL 26 79.963 3.733 4.807 225 3HG2 VAL 26 HG23 VAL 26 78.826 4.768 5.675 226 H LYS 27 HN LYS 27 76.323 3.024 1.847 227 HA LYS 27 HA LYS 27 73.679 1.882 2.293 228 1HB LYS 27 HB2 LYS 27 75.561 1.741 -0.078 229 2HB LYS 27 HB1 LYS 27 73.922 1.088 -0.077 230 1HG LYS 27 HG2 LYS 27 73.017 3.325 0.400 231 2HG LYS 27 HG1 LYS 27 74.652 3.988 0.432 232 1HD LYS 27 HD2 LYS 27 74.970 3.283 -1.923 233 2HD LYS 27 HD1 LYS 27 73.317 2.668 -1.950 234 1HE LYS 27 HE2 LYS 27 72.456 4.923 -1.470 235 2HE LYS 27 HE1 LYS 27 74.105 5.547 -1.409 236 1HZ LYS 27 HZ1 LYS 27 74.421 4.979 -3.695 237 2HZ LYS 27 HZ2 LYS 27 72.997 5.899 -3.569 238 3HZ LYS 27 HZ3 LYS 27 72.909 4.214 -3.776 239 H TYR 28 HN TYR 28 73.193 -0.342 2.451 240 HA TYR 28 HA TYR 28 75.119 -2.026 3.692 241 1HB TYR 28 HB2 TYR 28 72.706 -2.413 3.926 242 2HB TYR 28 HB1 TYR 28 72.583 -2.783 2.206 243 HD1 TYR 28 HD1 TYR 28 74.370 -3.849 5.321 244 HD2 TYR 28 HD2 TYR 28 72.884 -4.987 1.453 245 HE1 TYR 28 HE1 TYR 28 74.968 -6.211 5.784 246 HE2 TYR 28 HE2 TYR 28 73.480 -7.348 1.918 247 HH TYR 28 HH TYR 28 75.445 -8.424 3.729 248 H ALA 29 HN ALA 29 74.096 -1.751 0.308 249 HA ALA 29 HA ALA 29 75.528 -3.999 -0.694 250 1HB ALA 29 HB1 ALA 29 74.016 -3.072 -2.225 251 2HB ALA 29 HB2 ALA 29 75.568 -2.518 -2.855 252 3HB ALA 29 HB3 ALA 29 74.559 -1.423 -1.911 253 H ASP 30 HN ASP 30 76.554 -0.714 0.060 254 HA ASP 30 HA ASP 30 79.094 -0.818 -1.255 255 1HB ASP 30 HB2 ASP 30 77.965 0.810 1.016 256 2HB ASP 30 HB1 ASP 30 79.670 0.925 0.621 257 H LEU 31 HN LEU 31 78.041 -1.805 1.986 258 HA LEU 31 HA LEU 31 80.648 -2.392 3.006 259 1HB LEU 31 HB2 LEU 31 77.850 -3.268 3.659 260 2HB LEU 31 HB1 LEU 31 79.190 -4.144 4.389 261 HG LEU 31 HG LEU 31 78.344 -2.219 5.783 262 1HD1 LEU 31 HD11 LEU 31 80.430 -2.083 6.632 263 2HD1 LEU 31 HD12 LEU 31 81.023 -1.253 5.195 264 3HD1 LEU 31 HD13 LEU 31 80.980 -3.012 5.240 265 1HD2 LEU 31 HD21 LEU 31 79.655 -0.455 3.703 266 2HD2 LEU 31 HD22 LEU 31 78.648 0.028 5.059 267 3HD2 LEU 31 HD23 LEU 31 77.928 -0.797 3.679 268 H LEU 32 HN LEU 32 78.278 -4.457 1.329 269 HA LEU 32 HA LEU 32 79.902 -6.821 1.382 270 1HB LEU 32 HB2 LEU 32 77.739 -5.913 -0.539 271 2HB LEU 32 HB1 LEU 32 78.461 -7.515 -0.583 272 HG LEU 32 HG LEU 32 77.112 -6.319 1.857 273 1HD1 LEU 32 HD11 LEU 32 75.471 -8.306 1.162 274 2HD1 LEU 32 HD12 LEU 32 76.084 -7.921 -0.444 275 3HD1 LEU 32 HD13 LEU 32 75.272 -6.680 0.509 276 1HD2 LEU 32 HD21 LEU 32 78.401 -7.978 2.778 277 2HD2 LEU 32 HD22 LEU 32 78.559 -8.855 1.259 278 3HD2 LEU 32 HD23 LEU 32 77.084 -9.001 2.210 279 H LYS 33 HN LYS 33 79.618 -4.188 -0.988 280 HA LYS 33 HA LYS 33 81.437 -5.329 -2.893 281 1HB LYS 33 HB2 LYS 33 80.617 -2.461 -2.362 282 2HB LYS 33 HB1 LYS 33 81.635 -2.949 -3.719 283 1HG LYS 33 HG2 LYS 33 79.859 -4.454 -4.524 284 2HG LYS 33 HG1 LYS 33 78.839 -3.989 -3.165 285 1HD LYS 33 HD2 LYS 33 78.874 -1.641 -3.936 286 2HD LYS 33 HD1 LYS 33 79.881 -2.115 -5.309 287 1HE LYS 33 HE2 LYS 33 78.102 -3.614 -6.115 288 2HE LYS 33 HE1 LYS 33 77.096 -3.172 -4.734 289 1HZ LYS 33 HZ1 LYS 33 76.556 -1.221 -5.651 290 2HZ LYS 33 HZ2 LYS 33 77.053 -1.929 -7.113 291 3HZ LYS 33 HZ3 LYS 33 78.118 -0.933 -6.242 292 H PHE 34 HN PHE 34 81.882 -3.266 -0.054 293 HA PHE 34 HA PHE 34 84.595 -2.559 -0.503 294 1HB PHE 34 HB2 PHE 34 83.315 -1.481 1.255 295 2HB PHE 34 HB1 PHE 34 83.082 -3.017 2.085 296 HD1 PHE 34 HD1 PHE 34 85.961 -1.068 0.645 297 HD2 PHE 34 HD2 PHE 34 84.446 -3.366 3.945 298 HE1 PHE 34 HE1 PHE 34 88.098 -0.743 1.852 299 HE2 PHE 34 HE2 PHE 34 86.584 -3.038 5.153 300 HZ PHE 34 HZ PHE 34 88.411 -1.727 4.108 301 H PHE 35 HN PHE 35 83.243 -5.311 1.336 302 HA PHE 35 HA PHE 35 85.783 -6.475 1.960 303 1HB PHE 35 HB2 PHE 35 82.965 -7.520 1.846 304 2HB PHE 35 HB1 PHE 35 84.310 -8.626 2.121 305 HD1 PHE 35 HD1 PHE 35 83.134 -5.259 3.307 306 HD2 PHE 35 HD2 PHE 35 84.923 -9.025 4.335 307 HE1 PHE 35 HE1 PHE 35 83.201 -4.575 5.687 308 HE2 PHE 35 HE2 PHE 35 84.994 -8.340 6.715 309 HZ PHE 35 HZ PHE 35 84.134 -6.115 7.393 310 H ASP 36 HN ASP 36 83.496 -7.071 -0.708 311 HA ASP 36 HA ASP 36 85.013 -9.162 -1.931 312 1HB ASP 36 HB2 ASP 36 82.912 -7.230 -2.887 313 2HB ASP 36 HB1 ASP 36 83.766 -8.228 -4.062 314 H PHE 37 HN PHE 37 85.027 -5.647 -2.449 315 HA PHE 37 HA PHE 37 86.970 -5.664 -4.544 316 1HB PHE 37 HB2 PHE 37 85.565 -3.699 -4.053 317 2HB PHE 37 HB1 PHE 37 86.380 -3.503 -2.502 318 HD1 PHE 37 HD1 PHE 37 88.313 -2.180 -2.363 319 HD2 PHE 37 HD2 PHE 37 87.098 -3.749 -6.172 320 HE1 PHE 37 HE1 PHE 37 90.111 -0.877 -3.470 321 HE2 PHE 37 HE2 PHE 37 88.896 -2.448 -7.280 322 HZ PHE 37 HZ PHE 37 90.401 -1.012 -5.929 323 H VAL 38 HN VAL 38 87.304 -5.274 -1.018 324 HA VAL 38 HA VAL 38 90.111 -4.868 -0.987 325 HB VAL 38 HB VAL 38 88.238 -6.092 1.051 326 1HG1 VAL 38 HG11 VAL 38 90.302 -5.431 2.574 327 2HG1 VAL 38 HG12 VAL 38 91.210 -5.694 1.085 328 3HG1 VAL 38 HG13 VAL 38 90.250 -7.003 1.774 329 1HG2 VAL 38 HG21 VAL 38 88.328 -3.546 0.260 330 2HG2 VAL 38 HG22 VAL 38 89.706 -3.500 1.360 331 3HG2 VAL 38 HG23 VAL 38 88.114 -3.961 1.961 332 H LYS 39 HN LYS 39 88.224 -7.896 -0.841 333 HA LYS 39 HA LYS 39 90.617 -9.554 -0.664 334 1HB LYS 39 HB2 LYS 39 87.709 -10.194 -1.275 335 2HB LYS 39 HB1 LYS 39 88.973 -11.410 -1.087 336 1HG LYS 39 HG2 LYS 39 89.414 -10.607 1.204 337 2HG LYS 39 HG1 LYS 39 88.153 -9.387 1.021 338 1HD LYS 39 HD2 LYS 39 86.478 -11.165 0.669 339 2HD LYS 39 HD1 LYS 39 87.736 -12.388 0.856 340 1HE LYS 39 HE2 LYS 39 88.186 -11.552 3.149 341 2HE LYS 39 HE1 LYS 39 86.890 -10.372 2.959 342 1HZ LYS 39 HZ1 LYS 39 85.734 -12.727 2.246 343 2HZ LYS 39 HZ2 LYS 39 85.565 -11.953 3.749 344 3HZ LYS 39 HZ3 LYS 39 86.732 -13.171 3.544 345 H ASP 40 HN ASP 40 88.626 -8.272 -3.227 346 HA ASP 40 HA ASP 40 89.720 -10.024 -5.259 347 1HB ASP 40 HB2 ASP 40 88.150 -7.455 -5.451 348 2HB ASP 40 HB1 ASP 40 88.605 -8.441 -6.839 349 H THR 41 HN THR 41 90.671 -7.054 -3.780 350 HA THR 41 HA THR 41 92.155 -5.911 -5.892 351 HB THR 41 HB THR 41 92.914 -5.720 -2.968 352 HG1 THR 41 HG1 THR 41 90.840 -4.461 -4.426 353 1HG2 THR 41 HG21 THR 41 94.125 -4.624 -5.138 354 2HG2 THR 41 HG22 THR 41 94.084 -3.846 -3.555 355 3HG2 THR 41 HG23 THR 41 92.918 -3.385 -4.797 356 H CYS 42 HN CYS 42 93.331 -7.964 -3.242 357 HA CYS 42 HA CYS 42 96.009 -8.047 -4.190 358 1HB CYS 42 HB2 CYS 42 96.030 -8.794 -2.045 359 2HB CYS 42 HB1 CYS 42 94.434 -9.485 -2.144 360 HG CYS 42 HG CYS 42 97.023 -11.008 -2.559 361 HA PRO 43 HA PRO 43 95.081 -12.415 -5.958 362 1HB PRO 43 HB2 PRO 43 92.426 -13.034 -6.294 363 2HB PRO 43 HB1 PRO 43 93.393 -13.504 -4.894 364 1HG PRO 43 HG2 PRO 43 91.549 -11.208 -5.172 365 2HG PRO 43 HG1 PRO 43 91.752 -12.317 -3.826 366 1HD PRO 43 HD2 PRO 43 92.807 -9.871 -3.806 367 2HD PRO 43 HD1 PRO 43 93.621 -11.271 -3.099 368 H TRP 44 HN TRP 44 92.275 -10.348 -6.859 369 HA TRP 44 HA TRP 44 93.395 -9.601 -9.389 370 1HB TRP 44 HB2 TRP 44 92.576 -11.142 -10.852 371 2HB TRP 44 HB1 TRP 44 92.524 -12.199 -9.444 372 HD1 TRP 44 HD1 TRP 44 90.379 -11.079 -12.112 373 HE1 TRP 44 HE1 TRP 44 87.897 -11.306 -11.492 374 HE3 TRP 44 HE3 TRP 44 90.742 -11.766 -7.093 375 HZ2 TRP 44 HZ2 TRP 44 86.264 -11.733 -9.186 376 HZ3 TRP 44 HZ3 TRP 44 88.728 -12.078 -5.674 377 HH2 TRP 44 HH2 TRP 44 86.481 -12.068 -6.736 378 H PHE 45 HN PHE 45 92.188 -7.908 -10.225 379 HA PHE 45 HA PHE 45 89.372 -7.571 -9.460 380 1HB PHE 45 HB2 PHE 45 89.759 -5.320 -8.482 381 2HB PHE 45 HB1 PHE 45 90.482 -6.612 -7.537 382 HD1 PHE 45 HD1 PHE 45 92.970 -7.193 -8.015 383 HD2 PHE 45 HD2 PHE 45 91.085 -3.530 -9.231 384 HE1 PHE 45 HE1 PHE 45 95.195 -6.128 -8.257 385 HE2 PHE 45 HE2 PHE 45 93.311 -2.465 -9.473 386 HZ PHE 45 HZ PHE 45 95.366 -3.764 -8.985 387 HA PRO 46 HA PRO 46 90.843 -5.575 -13.464 388 1HB PRO 46 HB2 PRO 46 89.908 -7.438 -15.242 389 2HB PRO 46 HB1 PRO 46 91.547 -7.463 -14.565 390 1HG PRO 46 HG2 PRO 46 89.225 -9.161 -13.943 391 2HG PRO 46 HG1 PRO 46 90.953 -9.501 -13.793 392 1HD PRO 46 HD2 PRO 46 89.197 -8.819 -11.684 393 2HD PRO 46 HD1 PRO 46 90.965 -8.884 -11.619 394 H GLN 47 HN GLN 47 87.851 -7.059 -12.426 395 HA GLN 47 HA GLN 47 86.188 -5.797 -14.450 396 1HB GLN 47 HB2 GLN 47 85.535 -7.096 -11.790 397 2HB GLN 47 HB1 GLN 47 84.314 -6.498 -12.915 398 1HG GLN 47 HG2 GLN 47 86.435 -8.525 -13.669 399 2HG GLN 47 HG1 GLN 47 84.809 -8.964 -13.146 400 1HE2 GLN 47 HE21 GLN 47 86.340 -9.012 -15.905 401 2HE2 GLN 47 HE22 GLN 47 85.203 -8.340 -16.972 402 H GLU 48 HN GLU 48 84.641 -4.068 -14.021 403 HA GLU 48 HA GLU 48 85.369 -2.331 -11.694 404 1HB GLU 48 HB2 GLU 48 84.992 -1.469 -14.575 405 2HB GLU 48 HB1 GLU 48 85.122 -0.361 -13.209 406 1HG GLU 48 HG2 GLU 48 87.351 -1.242 -12.677 407 2HG GLU 48 HG1 GLU 48 87.224 -2.395 -14.005 408 H GLY 49 HN GLY 49 83.637 -1.000 -10.934 409 1HA GLY 49 HA2 GLY 49 80.985 -1.330 -12.195 410 2HA GLY 49 HA1 GLY 49 81.158 -1.984 -10.566 411 H THR 50 HN THR 50 79.342 -0.167 -10.464 412 HA THR 50 HA THR 50 80.340 2.568 -10.305 413 HB THR 50 HB THR 50 77.756 1.522 -9.130 414 HG1 THR 50 HG1 THR 50 76.934 2.122 -11.249 415 1HG2 THR 50 HG21 THR 50 78.196 4.166 -10.483 416 2HG2 THR 50 HG22 THR 50 78.731 3.941 -8.818 417 3HG2 THR 50 HG23 THR 50 77.030 3.736 -9.232 418 H ILE 51 HN ILE 51 80.822 3.731 -8.413 419 HA ILE 51 HA ILE 51 80.736 2.208 -5.854 420 HB ILE 51 HB ILE 51 83.060 2.408 -7.190 421 1HG1 ILE 51 HG12 ILE 51 82.793 1.217 -5.088 422 2HG1 ILE 51 HG11 ILE 51 84.176 2.292 -4.951 423 1HG2 ILE 51 HG21 ILE 51 84.351 4.317 -6.467 424 2HG2 ILE 51 HG22 ILE 51 83.061 4.891 -5.432 425 3HG2 ILE 51 HG23 ILE 51 82.874 4.928 -7.189 426 1HD1 ILE 51 HD11 ILE 51 81.463 2.555 -3.702 427 2HD1 ILE 51 HD12 ILE 51 82.434 3.989 -3.982 428 3HD1 ILE 51 HD13 ILE 51 83.039 2.717 -2.953 429 H ASP 52 HN ASP 52 80.013 3.453 -4.162 430 HA ASP 52 HA ASP 52 78.939 6.065 -4.649 431 1HB ASP 52 HB2 ASP 52 78.123 4.485 -2.885 432 2HB ASP 52 HB1 ASP 52 79.601 4.802 -1.977 433 H ILE 53 HN ILE 53 79.842 8.073 -4.340 434 HA ILE 53 HA ILE 53 82.704 8.308 -4.090 435 HB ILE 53 HB ILE 53 80.508 10.386 -4.027 436 1HG1 ILE 53 HG12 ILE 53 82.543 9.755 -6.183 437 2HG1 ILE 53 HG11 ILE 53 80.931 9.041 -6.152 438 1HG2 ILE 53 HG21 ILE 53 82.772 11.723 -4.739 439 2HG2 ILE 53 HG22 ILE 53 83.440 10.554 -3.599 440 3HG2 ILE 53 HG23 ILE 53 82.163 11.657 -3.086 441 1HD1 ILE 53 HD11 ILE 53 81.662 11.544 -7.230 442 2HD1 ILE 53 HD12 ILE 53 80.757 11.901 -5.761 443 3HD1 ILE 53 HD13 ILE 53 80.030 10.910 -7.024 444 H LYS 54 HN LYS 54 79.972 8.967 -1.914 445 HA LYS 54 HA LYS 54 81.438 10.104 0.225 446 1HB LYS 54 HB2 LYS 54 78.952 10.021 0.120 447 2HB LYS 54 HB1 LYS 54 79.013 8.280 0.416 448 1HG LYS 54 HG2 LYS 54 80.122 8.672 2.547 449 2HG LYS 54 HG1 LYS 54 80.112 10.412 2.277 450 1HD LYS 54 HD2 LYS 54 77.640 10.370 2.195 451 2HD LYS 54 HD1 LYS 54 77.665 8.634 2.512 452 1HE LYS 54 HE2 LYS 54 78.788 9.037 4.667 453 2HE LYS 54 HE1 LYS 54 78.785 10.771 4.349 454 1HZ LYS 54 HZ1 LYS 54 76.932 9.981 5.780 455 2HZ LYS 54 HZ2 LYS 54 76.327 9.113 4.449 456 3HZ LYS 54 HZ3 LYS 54 76.426 10.809 4.388 457 H PHE 55 HN PHE 55 80.830 6.705 -0.599 458 HA PHE 55 HA PHE 55 82.125 5.650 1.758 459 1HB PHE 55 HB2 PHE 55 80.487 4.412 0.254 460 2HB PHE 55 HB1 PHE 55 81.811 4.237 -0.897 461 HD1 PHE 55 HD1 PHE 55 83.431 2.539 -0.631 462 HD2 PHE 55 HD2 PHE 55 80.845 3.551 2.644 463 HE1 PHE 55 HE1 PHE 55 84.284 0.590 0.644 464 HE2 PHE 55 HE2 PHE 55 81.696 1.601 3.920 465 HZ PHE 55 HZ PHE 55 83.417 0.126 2.924 466 H TRP 56 HN TRP 56 83.217 6.457 -1.511 467 HA TRP 56 HA TRP 56 85.738 5.241 -1.496 468 1HB TRP 56 HB2 TRP 56 84.994 6.360 -3.489 469 2HB TRP 56 HB1 TRP 56 84.870 7.901 -2.646 470 HD1 TRP 56 HD1 TRP 56 87.804 5.400 -2.547 471 HE1 TRP 56 HE1 TRP 56 89.933 6.625 -3.316 472 HE3 TRP 56 HE3 TRP 56 85.808 9.929 -3.807 473 HZ2 TRP 56 HZ2 TRP 56 90.694 9.188 -4.334 474 HZ3 TRP 56 HZ3 TRP 56 87.257 11.742 -4.674 475 HH2 TRP 56 HH2 TRP 56 89.695 11.378 -4.939 476 H ARG 57 HN ARG 57 84.723 8.271 0.041 477 HA ARG 57 HA ARG 57 87.276 9.237 0.803 478 1HB ARG 57 HB2 ARG 57 84.678 9.399 2.373 479 2HB ARG 57 HB1 ARG 57 86.083 10.437 2.596 480 1HG ARG 57 HG2 ARG 57 84.509 10.202 0.015 481 2HG ARG 57 HG1 ARG 57 84.325 11.509 1.184 482 1HD ARG 57 HD2 ARG 57 86.950 11.717 0.876 483 2HD ARG 57 HD1 ARG 57 86.606 10.907 -0.649 484 HE ARG 57 HE ARG 57 84.954 13.274 -0.053 485 1HH1 ARG 57 HH21 ARG 57 87.687 11.858 -1.617 486 2HH1 ARG 57 HH22 ARG 57 87.842 13.128 -2.779 487 1HH2 ARG 57 HH11 ARG 57 85.149 14.940 -1.565 488 2HH2 ARG 57 HH12 ARG 57 86.409 14.873 -2.752 489 H ARG 58 HN ARG 58 85.105 6.957 2.495 490 HA ARG 58 HA ARG 58 86.870 6.575 4.744 491 1HB ARG 58 HB2 ARG 58 84.682 4.818 3.589 492 2HB ARG 58 HB1 ARG 58 85.497 4.510 5.124 493 1HG ARG 58 HG2 ARG 58 84.728 6.642 6.015 494 2HG ARG 58 HG1 ARG 58 84.009 7.065 4.462 495 1HD ARG 58 HD2 ARG 58 82.265 6.232 5.957 496 2HD ARG 58 HD1 ARG 58 82.516 5.081 4.646 497 HE ARG 58 HE ARG 58 83.399 3.537 6.220 498 1HH1 ARG 58 HH21 ARG 58 83.003 6.710 7.513 499 2HH1 ARG 58 HH22 ARG 58 83.293 6.223 9.149 500 1HH2 ARG 58 HH11 ARG 58 83.783 2.885 8.351 501 2HH2 ARG 58 HH12 ARG 58 83.735 4.058 9.624 502 H VAL 59 HN VAL 59 86.391 4.788 1.696 503 HA VAL 59 HA VAL 59 88.254 2.696 2.253 504 HB VAL 59 HB VAL 59 87.260 3.908 -0.333 505 1HG1 VAL 59 HG11 VAL 59 88.265 1.555 -1.139 506 2HG1 VAL 59 HG12 VAL 59 89.397 1.891 0.172 507 3HG1 VAL 59 HG13 VAL 59 89.224 3.036 -1.159 508 1HG2 VAL 59 HG21 VAL 59 85.825 2.464 1.296 509 2HG2 VAL 59 HG22 VAL 59 86.810 1.118 0.720 510 3HG2 VAL 59 HG23 VAL 59 85.825 2.039 -0.417 511 H GLY 60 HN GLY 60 88.668 5.854 0.662 512 1HA GLY 60 HA2 GLY 60 91.383 5.563 -0.081 513 2HA GLY 60 HA1 GLY 60 90.615 7.107 0.291 514 H ASP 61 HN ASP 61 90.012 6.873 2.956 515 HA ASP 61 HA ASP 61 92.569 7.295 4.201 516 1HB ASP 61 HB2 ASP 61 89.733 7.110 5.172 517 2HB ASP 61 HB1 ASP 61 91.051 7.099 6.345 518 H CYS 62 HN CYS 62 90.314 4.557 4.153 519 HA CYS 62 HA CYS 62 91.700 2.993 6.123 520 1HB CYS 62 HB2 CYS 62 89.945 2.106 3.810 521 2HB CYS 62 HB1 CYS 62 90.433 1.086 5.167 522 HG CYS 62 HG CYS 62 88.118 2.952 5.237 523 H PHE 63 HN PHE 63 91.825 2.947 2.550 524 HA PHE 63 HA PHE 63 93.775 0.904 2.305 525 1HB PHE 63 HB2 PHE 63 92.818 3.145 0.585 526 2HB PHE 63 HB1 PHE 63 94.350 2.389 0.148 527 HD1 PHE 63 HD1 PHE 63 93.776 1.127 -1.777 528 HD2 PHE 63 HD2 PHE 63 91.397 0.797 1.783 529 HE1 PHE 63 HE1 PHE 63 92.557 -0.790 -2.770 530 HE2 PHE 63 HE2 PHE 63 90.176 -1.116 0.791 531 HZ PHE 63 HZ PHE 63 90.756 -1.912 -1.484 532 H GLN 64 HN GLN 64 94.185 4.443 2.546 533 HA GLN 64 HA GLN 64 97.008 4.504 2.334 534 1HB GLN 64 HB2 GLN 64 95.567 6.530 2.341 535 2HB GLN 64 HB1 GLN 64 95.240 6.273 4.055 536 1HG GLN 64 HG2 GLN 64 97.611 6.526 4.584 537 2HG GLN 64 HG1 GLN 64 98.000 6.675 2.872 538 1HE2 GLN 64 HE21 GLN 64 98.841 8.829 4.227 539 2HE2 GLN 64 HE22 GLN 64 97.788 10.151 4.070 540 H ASP 65 HN ASP 65 94.922 3.956 5.167 541 HA ASP 65 HA ASP 65 97.018 3.910 7.112 542 1HB ASP 65 HB2 ASP 65 94.318 2.530 7.039 543 2HB ASP 65 HB1 ASP 65 95.378 2.528 8.450 544 H TYR 66 HN TYR 66 95.508 1.285 5.218 545 HA TYR 66 HA TYR 66 97.120 -0.814 6.322 546 1HB TYR 66 HB2 TYR 66 95.643 -0.560 3.693 547 2HB TYR 66 HB1 TYR 66 96.473 -2.034 4.188 548 HD1 TYR 66 HD1 TYR 66 95.926 -2.785 6.710 549 HD2 TYR 66 HD2 TYR 66 93.376 -0.376 4.230 550 HE1 TYR 66 HE1 TYR 66 93.973 -3.431 8.091 551 HE2 TYR 66 HE2 TYR 66 91.423 -1.019 5.613 552 HH TYR 66 HH TYR 66 90.729 -2.114 7.415 553 H TYR 67 HN TYR 67 97.645 1.506 3.735 554 HA TYR 67 HA TYR 67 99.853 0.202 2.485 555 1HB TYR 67 HB2 TYR 67 99.131 1.983 1.209 556 2HB TYR 67 HB1 TYR 67 98.818 2.996 2.616 557 HD1 TYR 67 HD1 TYR 67 101.706 1.294 0.919 558 HD2 TYR 67 HD2 TYR 67 100.292 4.756 3.029 559 HE1 TYR 67 HE1 TYR 67 103.920 2.372 0.634 560 HE2 TYR 67 HE2 TYR 67 102.504 5.835 2.742 561 HH TYR 67 HH TYR 67 105.256 4.176 1.852 562 H ASN 68 HN ASN 68 99.866 2.809 4.933 563 HA ASN 68 HA ASN 68 102.698 2.668 5.370 564 1HB ASN 68 HB2 ASN 68 100.393 3.814 6.940 565 2HB ASN 68 HB1 ASN 68 102.027 3.816 7.603 566 1HD2 ASN 68 HD21 ASN 68 100.372 6.162 6.673 567 2HD2 ASN 68 HD22 ASN 68 101.312 6.927 5.484 568 H THR 69 HN THR 69 99.935 1.104 6.939 569 HA THR 69 HA THR 69 101.374 -0.053 9.104 570 HB THR 69 HB THR 69 99.003 -1.313 7.697 571 HG1 THR 69 HG1 THR 69 97.757 0.010 9.052 572 1HG2 THR 69 HG21 THR 69 99.843 -1.284 10.610 573 2HG2 THR 69 HG22 THR 69 100.153 -2.615 9.495 574 3HG2 THR 69 HG23 THR 69 98.495 -2.184 9.914 575 H PHE 70 HN PHE 70 100.535 -1.439 5.915 576 HA PHE 70 HA PHE 70 102.575 -3.566 6.426 577 1HB PHE 70 HB2 PHE 70 100.198 -3.440 4.561 578 2HB PHE 70 HB1 PHE 70 101.391 -4.735 4.515 579 HD1 PHE 70 HD1 PHE 70 98.570 -3.290 6.340 580 HD2 PHE 70 HD2 PHE 70 101.670 -6.262 6.457 581 HE1 PHE 70 HE1 PHE 70 97.400 -4.437 8.201 582 HE2 PHE 70 HE2 PHE 70 100.499 -7.408 8.318 583 HZ PHE 70 HZ PHE 70 98.365 -6.496 9.191 584 H GLY 71 HN GLY 71 101.335 -1.507 3.777 585 1HA GLY 71 HA2 GLY 71 103.418 -0.215 2.763 586 2HA GLY 71 HA1 GLY 71 103.946 -1.847 2.397 587 HA PRO 72 HA PRO 72 101.333 -0.266 -1.132 588 1HB PRO 72 HB2 PRO 72 103.487 -1.317 -2.813 589 2HB PRO 72 HB1 PRO 72 102.838 0.328 -2.731 590 1HG PRO 72 HG2 PRO 72 105.304 -0.369 -1.838 591 2HG PRO 72 HG1 PRO 72 104.374 1.000 -1.213 592 1HD PRO 72 HD2 PRO 72 104.829 -1.684 0.014 593 2HD PRO 72 HD1 PRO 72 104.631 -0.100 0.793 594 H GLU 73 HN GLU 73 102.859 -3.276 -0.304 595 HA GLU 73 HA GLU 73 101.897 -4.962 -2.361 596 1HB GLU 73 HB2 GLU 73 102.237 -5.562 0.598 597 2HB GLU 73 HB1 GLU 73 102.030 -6.780 -0.661 598 1HG GLU 73 HG2 GLU 73 104.261 -4.732 -0.659 599 2HG GLU 73 HG1 GLU 73 104.435 -6.370 -0.027 600 H LYS 74 HN LYS 74 100.347 -4.185 0.775 601 HA LYS 74 HA LYS 74 97.920 -5.580 0.186 602 1HB LYS 74 HB2 LYS 74 98.434 -3.244 2.047 603 2HB LYS 74 HB1 LYS 74 96.973 -4.220 2.050 604 1HG LYS 74 HG2 LYS 74 99.760 -5.318 2.496 605 2HG LYS 74 HG1 LYS 74 98.618 -4.943 3.786 606 1HD LYS 74 HD2 LYS 74 96.995 -6.504 2.423 607 2HD LYS 74 HD1 LYS 74 98.493 -7.127 1.728 608 1HE LYS 74 HE2 LYS 74 99.359 -7.613 3.963 609 2HE LYS 74 HE1 LYS 74 97.882 -6.970 4.684 610 1HZ LYS 74 HZ1 LYS 74 98.136 -9.345 2.924 611 2HZ LYS 74 HZ2 LYS 74 96.646 -8.653 3.359 612 3HZ LYS 74 HZ3 LYS 74 97.659 -9.314 4.551 613 H VAL 75 HN VAL 75 98.798 -2.153 -0.142 614 HA VAL 75 HA VAL 75 96.715 -1.918 -2.231 615 HB VAL 75 HB VAL 75 95.796 0.117 -1.246 616 1HG1 VAL 75 HG11 VAL 75 94.485 -0.947 0.432 617 2HG1 VAL 75 HG12 VAL 75 95.789 -2.061 0.846 618 3HG1 VAL 75 HG13 VAL 75 94.939 -2.231 -0.689 619 1HG2 VAL 75 HG21 VAL 75 97.171 1.206 0.186 620 2HG2 VAL 75 HG22 VAL 75 98.095 -0.256 0.536 621 3HG2 VAL 75 HG23 VAL 75 96.594 0.066 1.403 622 HA PRO 76 HA PRO 76 100.579 0.353 -3.292 623 1HB PRO 76 HB2 PRO 76 100.827 -0.637 -5.814 624 2HB PRO 76 HB1 PRO 76 101.424 -1.490 -4.381 625 1HG PRO 76 HG2 PRO 76 99.055 -2.024 -6.035 626 2HG PRO 76 HG1 PRO 76 100.032 -3.139 -5.086 627 1HD PRO 76 HD2 PRO 76 97.529 -2.066 -4.367 628 2HD PRO 76 HD1 PRO 76 98.637 -2.951 -3.297 629 H VAL 77 HN VAL 77 100.928 1.366 -5.808 630 HA VAL 77 HA VAL 77 98.989 3.482 -5.904 631 HB VAL 77 HB VAL 77 100.165 4.128 -8.011 632 1HG1 VAL 77 HG11 VAL 77 101.273 3.854 -5.370 633 2HG1 VAL 77 HG12 VAL 77 101.568 5.121 -6.561 634 3HG1 VAL 77 HG13 VAL 77 102.556 3.661 -6.564 635 1HG2 VAL 77 HG21 VAL 77 101.216 2.537 -9.210 636 2HG2 VAL 77 HG22 VAL 77 100.852 1.348 -7.960 637 3HG2 VAL 77 HG23 VAL 77 102.342 2.288 -7.876 638 H THR 78 HN THR 78 99.009 0.316 -7.202 639 HA THR 78 HA THR 78 97.505 0.699 -9.595 640 HB THR 78 HB THR 78 96.963 -1.655 -9.435 641 HG1 THR 78 HG1 THR 78 97.554 -1.230 -6.712 642 1HG2 THR 78 HG21 THR 78 99.177 -2.609 -9.069 643 2HG2 THR 78 HG22 THR 78 99.662 -1.195 -8.135 644 3HG2 THR 78 HG23 THR 78 99.345 -1.044 -9.863 645 H ALA 79 HN ALA 79 96.533 0.483 -6.202 646 HA ALA 79 HA ALA 79 93.706 0.252 -6.701 647 1HB ALA 79 HB1 ALA 79 95.041 1.521 -4.292 648 2HB ALA 79 HB2 ALA 79 94.857 -0.221 -4.502 649 3HB ALA 79 HB3 ALA 79 93.430 0.806 -4.364 650 H PHE 80 HN PHE 80 95.822 3.054 -6.052 651 HA PHE 80 HA PHE 80 93.743 5.019 -6.158 652 1HB PHE 80 HB2 PHE 80 96.714 5.205 -6.731 653 2HB PHE 80 HB1 PHE 80 95.644 6.606 -6.657 654 HD1 PHE 80 HD1 PHE 80 94.869 7.479 -4.568 655 HD2 PHE 80 HD2 PHE 80 97.006 3.756 -4.703 656 HE1 PHE 80 HE1 PHE 80 95.069 7.504 -2.096 657 HE2 PHE 80 HE2 PHE 80 97.207 3.781 -2.232 658 HZ PHE 80 HZ PHE 80 96.237 5.655 -0.928 659 H SER 81 HN SER 81 95.972 3.795 -8.669 660 HA SER 81 HA SER 81 95.012 5.457 -10.780 661 1HB SER 81 HB2 SER 81 96.178 2.659 -10.907 662 2HB SER 81 HB1 SER 81 95.986 3.737 -12.286 663 HG SER 81 HG SER 81 97.541 4.186 -9.949 664 H TYR 82 HN TYR 82 94.036 2.166 -9.784 665 HA TYR 82 HA TYR 82 92.031 1.826 -11.791 666 1HB TYR 82 HB2 TYR 82 92.707 0.553 -9.195 667 2HB TYR 82 HB1 TYR 82 91.044 0.350 -9.744 668 HD1 TYR 82 HD1 TYR 82 90.573 -1.420 -11.191 669 HD2 TYR 82 HD2 TYR 82 94.546 0.210 -11.100 670 HE1 TYR 82 HE1 TYR 82 91.321 -3.151 -12.801 671 HE2 TYR 82 HE2 TYR 82 95.295 -1.520 -12.708 672 HH TYR 82 HH TYR 82 94.728 -3.473 -13.699 673 H TRP 83 HN TRP 83 91.876 3.187 -8.508 674 HA TRP 83 HA TRP 83 89.044 3.632 -8.498 675 1HB TRP 83 HB2 TRP 83 90.926 3.837 -6.599 676 2HB TRP 83 HB1 TRP 83 90.827 5.537 -7.058 677 HD1 TRP 83 HD1 TRP 83 88.574 6.826 -6.586 678 HE1 TRP 83 HE1 TRP 83 86.536 6.285 -5.102 679 HE3 TRP 83 HE3 TRP 83 89.432 1.873 -5.686 680 HZ2 TRP 83 HZ2 TRP 83 85.419 4.046 -3.715 681 HZ3 TRP 83 HZ3 TRP 83 87.867 0.561 -4.282 682 HH2 TRP 83 HH2 TRP 83 85.863 1.640 -3.299 683 H ASN 84 HN ASN 84 91.784 5.559 -9.656 684 HA ASN 84 HA ASN 84 90.459 8.017 -10.106 685 1HB ASN 84 HB2 ASN 84 92.890 7.744 -10.401 686 2HB ASN 84 HB1 ASN 84 92.615 6.682 -11.783 687 1HD2 ASN 84 HD21 ASN 84 94.092 8.768 -12.532 688 2HD2 ASN 84 HD22 ASN 84 93.185 9.980 -13.300 689 H LEU 85 HN LEU 85 90.713 5.147 -12.214 690 HA LEU 85 HA LEU 85 89.179 6.240 -14.387 691 1HB LEU 85 HB2 LEU 85 89.606 3.387 -13.463 692 2HB LEU 85 HB1 LEU 85 88.774 3.802 -14.957 693 HG LEU 85 HG LEU 85 91.584 4.720 -14.270 694 1HD1 LEU 85 HD11 LEU 85 91.603 2.915 -16.442 695 2HD1 LEU 85 HD12 LEU 85 90.620 2.157 -15.189 696 3HD1 LEU 85 HD13 LEU 85 92.275 2.653 -14.832 697 1HD2 LEU 85 HD21 LEU 85 90.945 6.192 -15.918 698 2HD2 LEU 85 HD22 LEU 85 89.701 5.120 -16.552 699 3HD2 LEU 85 HD23 LEU 85 91.390 4.842 -16.957 700 H ILE 86 HN ILE 86 88.222 4.358 -11.520 701 HA ILE 86 HA ILE 86 85.451 4.156 -12.175 702 HB ILE 86 HB ILE 86 87.004 4.077 -9.600 703 1HG1 ILE 86 HG12 ILE 86 86.647 2.177 -11.426 704 2HG1 ILE 86 HG11 ILE 86 86.621 1.790 -9.704 705 1HG2 ILE 86 HG21 ILE 86 84.722 3.390 -8.579 706 2HG2 ILE 86 HG22 ILE 86 84.015 4.242 -9.956 707 3HG2 ILE 86 HG23 ILE 86 85.033 5.108 -8.810 708 1HD1 ILE 86 HD11 ILE 86 84.673 0.892 -11.161 709 2HD1 ILE 86 HD12 ILE 86 84.087 2.553 -11.167 710 3HD1 ILE 86 HD13 ILE 86 84.259 1.679 -9.640 711 H LYS 87 HN LYS 87 87.285 6.637 -10.416 712 HA LYS 87 HA LYS 87 85.139 8.236 -9.555 713 1HB LYS 87 HB2 LYS 87 87.551 8.593 -8.980 714 2HB LYS 87 HB1 LYS 87 87.789 9.260 -10.593 715 1HG LYS 87 HG2 LYS 87 86.099 10.993 -10.125 716 2HG LYS 87 HG1 LYS 87 85.851 10.321 -8.515 717 1HD LYS 87 HD2 LYS 87 88.221 10.761 -7.966 718 2HD LYS 87 HD1 LYS 87 88.456 11.458 -9.569 719 1HE LYS 87 HE2 LYS 87 86.807 13.198 -9.092 720 2HE LYS 87 HE1 LYS 87 86.474 12.483 -7.516 721 1HZ LYS 87 HZ1 LYS 87 88.565 14.244 -8.276 722 2HZ LYS 87 HZ2 LYS 87 89.206 12.809 -7.630 723 3HZ LYS 87 HZ3 LYS 87 88.105 13.734 -6.726 724 H GLU 88 HN GLU 88 86.726 8.063 -12.717 725 HA GLU 88 HA GLU 88 85.307 10.325 -13.838 726 1HB GLU 88 HB2 GLU 88 86.654 7.955 -15.173 727 2HB GLU 88 HB1 GLU 88 86.057 9.378 -16.028 728 1HG GLU 88 HG2 GLU 88 87.559 10.813 -14.688 729 2HG GLU 88 HG1 GLU 88 88.163 9.386 -13.847 730 H LEU 89 HN LEU 89 84.735 6.809 -13.852 731 HA LEU 89 HA LEU 89 82.497 6.850 -15.609 732 1HB LEU 89 HB2 LEU 89 83.563 4.977 -13.550 733 2HB LEU 89 HB1 LEU 89 81.890 4.741 -14.052 734 HG LEU 89 HG LEU 89 82.632 4.666 -16.421 735 1HD1 LEU 89 HD11 LEU 89 85.032 4.538 -16.926 736 2HD1 LEU 89 HD12 LEU 89 85.408 4.777 -15.228 737 3HD1 LEU 89 HD13 LEU 89 84.660 6.074 -16.151 738 1HD2 LEU 89 HD21 LEU 89 83.305 2.745 -14.339 739 2HD2 LEU 89 HD22 LEU 89 84.384 2.598 -15.726 740 3HD2 LEU 89 HD23 LEU 89 82.639 2.462 -15.948 741 H ILE 90 HN ILE 90 82.619 7.021 -12.056 742 HA ILE 90 HA ILE 90 79.755 7.306 -11.794 743 HB ILE 90 HB ILE 90 80.237 7.856 -9.457 744 1HG1 ILE 90 HG12 ILE 90 83.043 8.128 -10.511 745 2HG1 ILE 90 HG11 ILE 90 82.101 9.347 -9.656 746 1HG2 ILE 90 HG21 ILE 90 81.295 5.801 -8.842 747 2HG2 ILE 90 HG22 ILE 90 82.210 5.747 -10.348 748 3HG2 ILE 90 HG23 ILE 90 80.467 5.481 -10.363 749 1HD1 ILE 90 HD11 ILE 90 83.459 6.902 -8.572 750 2HD1 ILE 90 HD12 ILE 90 82.040 7.545 -7.747 751 3HD1 ILE 90 HD13 ILE 90 83.474 8.551 -7.948 752 H ASP 91 HN ASP 91 82.470 9.597 -11.846 753 HA ASP 91 HA ASP 91 80.955 11.940 -11.269 754 1HB ASP 91 HB2 ASP 91 83.535 11.426 -12.750 755 2HB ASP 91 HB1 ASP 91 82.848 13.045 -12.710 756 H LYS 92 HN LYS 92 81.787 10.446 -14.409 757 HA LYS 92 HA LYS 92 80.422 12.381 -16.015 758 1HB LYS 92 HB2 LYS 92 81.092 9.466 -16.479 759 2HB LYS 92 HB1 LYS 92 80.350 10.484 -17.714 760 1HG LYS 92 HG2 LYS 92 82.245 12.049 -17.575 761 2HG LYS 92 HG1 LYS 92 82.987 11.055 -16.325 762 1HD LYS 92 HD2 LYS 92 83.115 9.160 -17.903 763 2HD LYS 92 HD1 LYS 92 82.373 10.156 -19.156 764 1HE LYS 92 HE2 LYS 92 84.259 11.739 -19.023 765 2HE LYS 92 HE1 LYS 92 85.002 10.752 -17.765 766 1HZ LYS 92 HZ1 LYS 92 85.169 10.442 -20.546 767 2HZ LYS 92 HZ2 LYS 92 84.370 9.082 -19.912 768 3HZ LYS 92 HZ3 LYS 92 85.909 9.511 -19.337 769 H LYS 93 HN LYS 93 79.332 9.252 -14.674 770 HA LYS 93 HA LYS 93 76.630 9.601 -15.714 771 1HB LYS 93 HB2 LYS 93 77.598 7.353 -15.316 772 2HB LYS 93 HB1 LYS 93 77.670 7.704 -13.588 773 1HG LYS 93 HG2 LYS 93 75.248 7.942 -13.487 774 2HG LYS 93 HG1 LYS 93 75.124 7.732 -15.234 775 1HD LYS 93 HD2 LYS 93 76.057 5.460 -15.029 776 2HD LYS 93 HD1 LYS 93 76.181 5.665 -13.281 777 1HE LYS 93 HE2 LYS 93 73.732 5.992 -13.154 778 2HE LYS 93 HE1 LYS 93 73.616 5.765 -14.899 779 1HZ LYS 93 HZ1 LYS 93 74.435 3.546 -14.681 780 2HZ LYS 93 HZ2 LYS 93 73.139 3.737 -13.599 781 3HZ LYS 93 HZ3 LYS 93 74.739 3.756 -13.026 782 H GLU 94 HN GLU 94 74.939 10.605 -14.697 783 HA GLU 94 HA GLU 94 75.488 12.070 -12.221 784 1HB GLU 94 HB2 GLU 94 73.015 11.856 -13.964 785 2HB GLU 94 HB1 GLU 94 73.136 12.896 -12.546 786 1HG GLU 94 HG2 GLU 94 75.035 14.086 -13.555 787 2HG GLU 94 HG1 GLU 94 74.961 13.026 -14.963 788 H VAL 95 HN VAL 95 75.022 11.319 -10.213 789 HA VAL 95 HA VAL 95 72.917 9.215 -9.933 790 HB VAL 95 HB VAL 95 75.134 8.129 -9.877 791 1HG1 VAL 95 HG11 VAL 95 75.865 10.490 -8.522 792 2HG1 VAL 95 HG12 VAL 95 76.890 9.094 -8.850 793 3HG1 VAL 95 HG13 VAL 95 76.004 9.196 -7.331 794 1HG2 VAL 95 HG21 VAL 95 74.182 8.221 -7.027 795 2HG2 VAL 95 HG22 VAL 95 74.683 6.829 -7.986 796 3HG2 VAL 95 HG23 VAL 95 73.116 7.582 -8.278 797 H ASN 96 HN ASN 96 72.267 9.005 -7.550 798 HA ASN 96 HA ASN 96 72.414 11.681 -6.214 799 1HB ASN 96 HB2 ASN 96 70.203 11.157 -7.311 800 2HB ASN 96 HB1 ASN 96 70.028 9.847 -6.142 801 1HD2 ASN 96 HD21 ASN 96 69.973 13.344 -6.539 802 2HD2 ASN 96 HD22 ASN 96 69.482 13.704 -4.954 803 HA PRO 97 HA PRO 97 73.781 8.415 -3.250 804 1HB PRO 97 HB2 PRO 97 76.086 9.628 -2.472 805 2HB PRO 97 HB1 PRO 97 75.976 8.617 -3.925 806 1HG PRO 97 HG2 PRO 97 76.118 11.556 -3.674 807 2HG PRO 97 HG1 PRO 97 76.697 10.502 -4.969 808 1HD PRO 97 HD2 PRO 97 74.333 12.022 -4.991 809 2HD PRO 97 HD1 PRO 97 74.750 10.733 -6.134 810 H GLN 98 HN GLN 98 74.912 9.098 -0.889 811 HA GLN 98 HA GLN 98 72.783 10.418 0.527 812 1HB GLN 98 HB2 GLN 98 75.587 9.650 1.368 813 2HB GLN 98 HB1 GLN 98 74.391 10.321 2.477 814 1HG GLN 98 HG2 GLN 98 72.871 8.460 2.004 815 2HG GLN 98 HG1 GLN 98 74.012 7.802 0.829 816 1HE2 GLN 98 HE21 GLN 98 73.735 5.889 2.506 817 2HE2 GLN 98 HE22 GLN 98 74.850 5.865 3.786 818 H VAL 99 HN VAL 99 76.061 11.454 -0.411 819 HA VAL 99 HA VAL 99 75.203 14.272 0.141 820 HB VAL 99 HB VAL 99 77.896 12.967 0.596 821 1HG1 VAL 99 HG11 VAL 99 78.589 15.020 -0.219 822 2HG1 VAL 99 HG12 VAL 99 78.298 15.454 1.465 823 3HG1 VAL 99 HG13 VAL 99 77.088 15.824 0.237 824 1HG2 VAL 99 HG21 VAL 99 77.491 13.988 2.899 825 2HG2 VAL 99 HG22 VAL 99 76.436 12.642 2.470 826 3HG2 VAL 99 HG23 VAL 99 75.837 14.299 2.377 827 H MET 100 HN MET 100 75.453 15.660 -1.550 828 HA MET 100 HA MET 100 76.550 14.544 -4.061 829 1HB MET 100 HB2 MET 100 74.355 15.709 -4.087 830 2HB MET 100 HB1 MET 100 75.153 17.185 -3.544 831 1HG MET 100 HG2 MET 100 76.521 17.240 -5.561 832 2HG MET 100 HG1 MET 100 75.853 15.697 -6.089 833 1HE MET 100 HE1 MET 100 75.340 19.173 -5.033 834 2HE MET 100 HE2 MET 100 73.723 18.825 -4.432 835 3HE MET 100 HE3 MET 100 73.923 19.801 -5.884 Start of MODEL 4 1 1H MET 1 HT1 MET 1 69.863 -5.238 1.291 2 2H MET 1 HT2 MET 1 70.715 -5.306 -0.177 3 3H MET 1 HT3 MET 1 71.548 -5.049 1.281 4 HA MET 1 HA MET 1 71.959 -7.245 1.128 5 1HB MET 1 HB2 MET 1 69.102 -7.166 2.144 6 2HB MET 1 HB1 MET 1 70.177 -8.556 2.299 7 1HG MET 1 HG2 MET 1 71.790 -7.148 3.555 8 2HG MET 1 HG1 MET 1 70.670 -5.789 3.441 9 1HE MET 1 HE1 MET 1 67.670 -7.221 4.025 10 2HE MET 1 HE2 MET 1 68.502 -5.672 4.141 11 3HE MET 1 HE3 MET 1 67.816 -6.406 5.588 12 H GLY 2 HN GLY 2 69.099 -8.800 0.830 13 1HA GLY 2 HA2 GLY 2 67.860 -9.657 -1.013 14 2HA GLY 2 HA1 GLY 2 68.839 -8.667 -2.096 15 H GLN 3 HN GLN 3 70.886 -10.244 0.015 16 HA GLN 3 HA GLN 3 71.205 -12.560 -1.849 17 1HB GLN 3 HB2 GLN 3 73.380 -10.783 -0.701 18 2HB GLN 3 HB1 GLN 3 73.681 -12.292 -1.565 19 1HG GLN 3 HG2 GLN 3 72.161 -9.934 -2.716 20 2HG GLN 3 HG1 GLN 3 73.859 -10.281 -3.040 21 1HE2 GLN 3 HE21 GLN 3 70.850 -10.697 -4.377 22 2HE2 GLN 3 HE22 GLN 3 71.132 -12.106 -5.279 23 H GLU 4 HN GLU 4 72.341 -14.408 -0.837 24 HA GLU 4 HA GLU 4 71.335 -15.089 1.717 25 1HB GLU 4 HB2 GLU 4 73.735 -16.147 0.198 26 2HB GLU 4 HB1 GLU 4 73.117 -16.883 1.678 27 1HG GLU 4 HG2 GLU 4 70.920 -17.210 0.608 28 2HG GLU 4 HG1 GLU 4 71.529 -16.468 -0.872 29 H LEU 5 HN LEU 5 72.184 -14.912 3.798 30 HA LEU 5 HA LEU 5 74.452 -13.017 4.088 31 1HB LEU 5 HB2 LEU 5 72.355 -14.028 6.025 32 2HB LEU 5 HB1 LEU 5 73.707 -13.007 6.515 33 HG LEU 5 HG LEU 5 71.733 -12.267 4.339 34 1HD1 LEU 5 HD11 LEU 5 71.777 -11.751 7.301 35 2HD1 LEU 5 HD12 LEU 5 70.411 -12.167 6.267 36 3HD1 LEU 5 HD13 LEU 5 71.093 -10.542 6.214 37 1HD2 LEU 5 HD21 LEU 5 73.443 -10.832 3.878 38 2HD2 LEU 5 HD22 LEU 5 74.217 -11.109 5.438 39 3HD2 LEU 5 HD23 LEU 5 72.878 -9.969 5.310 40 H SER 6 HN SER 6 76.371 -14.128 4.031 41 HA SER 6 HA SER 6 76.592 -16.809 5.207 42 1HB SER 6 HB2 SER 6 79.029 -16.523 4.535 43 2HB SER 6 HB1 SER 6 77.870 -16.434 3.212 44 HG SER 6 HG SER 6 79.350 -14.400 4.464 45 H GLN 7 HN GLN 7 78.599 -17.149 6.702 46 HA GLN 7 HA GLN 7 78.166 -15.796 9.151 47 1HB GLN 7 HB2 GLN 7 80.453 -17.437 8.075 48 2HB GLN 7 HB1 GLN 7 80.572 -16.671 9.659 49 1HG GLN 7 HG2 GLN 7 78.539 -17.811 10.401 50 2HG GLN 7 HG1 GLN 7 78.330 -18.524 8.801 51 1HE2 GLN 7 HE21 GLN 7 79.828 -20.239 8.156 52 2HE2 GLN 7 HE22 GLN 7 80.806 -21.028 9.295 53 H HIS 8 HN HIS 8 80.692 -15.254 6.683 54 HA HIS 8 HA HIS 8 81.938 -13.068 8.073 55 1HB HIS 8 HB2 HIS 8 81.955 -13.155 5.085 56 2HB HIS 8 HB1 HIS 8 83.287 -12.875 6.206 57 HD2 HIS 8 HD2 HIS 8 81.277 -15.946 4.728 58 HE1 HIS 8 HE1 HIS 8 84.768 -17.401 6.609 59 HE2 HIS 8 HE2 HIS 8 82.763 -18.039 5.191 60 H GLU 9 HN GLU 9 79.433 -13.192 5.535 61 HA GLU 9 HA GLU 9 79.181 -10.381 5.166 62 1HB GLU 9 HB2 GLU 9 77.285 -12.698 4.793 63 2HB GLU 9 HB1 GLU 9 76.756 -11.040 4.506 64 1HG GLU 9 HG2 GLU 9 78.569 -10.720 2.881 65 2HG GLU 9 HG1 GLU 9 79.150 -12.357 3.188 66 H ARG 10 HN ARG 10 77.662 -12.581 7.501 67 HA ARG 10 HA ARG 10 75.869 -10.672 8.653 68 1HB ARG 10 HB2 ARG 10 77.186 -13.158 9.772 69 2HB ARG 10 HB1 ARG 10 76.003 -12.213 10.677 70 1HG ARG 10 HG2 ARG 10 74.333 -12.558 8.928 71 2HG ARG 10 HG1 ARG 10 75.512 -13.420 7.940 72 1HD ARG 10 HD2 ARG 10 74.096 -15.033 9.114 73 2HD ARG 10 HD1 ARG 10 75.740 -15.121 9.743 74 HE ARG 10 HE ARG 10 74.964 -14.197 11.799 75 1HH1 ARG 10 HH21 ARG 10 72.604 -14.143 9.287 76 2HH1 ARG 10 HH22 ARG 10 71.295 -13.733 10.343 77 1HH2 ARG 10 HH11 ARG 10 73.268 -13.662 13.194 78 2HH2 ARG 10 HH12 ARG 10 71.670 -13.460 12.556 79 H TYR 11 HN TYR 11 79.256 -11.480 9.344 80 HA TYR 11 HA TYR 11 79.539 -9.932 11.715 81 1HB TYR 11 HB2 TYR 11 81.283 -11.485 11.034 82 2HB TYR 11 HB1 TYR 11 81.557 -10.580 9.545 83 HD1 TYR 11 HD1 TYR 11 82.883 -8.586 9.518 84 HD2 TYR 11 HD2 TYR 11 81.826 -10.437 13.247 85 HE1 TYR 11 HE1 TYR 11 84.488 -7.114 10.703 86 HE2 TYR 11 HE2 TYR 11 83.432 -8.965 14.433 87 HH TYR 11 HH TYR 11 85.094 -7.484 14.185 88 H VAL 12 HN VAL 12 79.835 -9.032 8.287 89 HA VAL 12 HA VAL 12 80.762 -6.360 8.735 90 HB VAL 12 HB VAL 12 78.986 -7.218 6.442 91 1HG1 VAL 12 HG11 VAL 12 80.522 -5.612 5.233 92 2HG1 VAL 12 HG12 VAL 12 81.200 -5.181 6.803 93 3HG1 VAL 12 HG13 VAL 12 79.500 -4.861 6.458 94 1HG2 VAL 12 HG21 VAL 12 81.377 -7.678 5.412 95 2HG2 VAL 12 HG22 VAL 12 80.568 -8.928 6.357 96 3HG2 VAL 12 HG23 VAL 12 81.826 -7.938 7.098 97 H GLU 13 HN GLU 13 77.480 -7.701 8.356 98 HA GLU 13 HA GLU 13 76.044 -5.268 8.472 99 1HB GLU 13 HB2 GLU 13 75.002 -7.462 7.967 100 2HB GLU 13 HB1 GLU 13 75.239 -7.948 9.646 101 1HG GLU 13 HG2 GLU 13 73.823 -6.083 10.402 102 2HG GLU 13 HG1 GLU 13 73.599 -5.567 8.729 103 H GLN 14 HN GLN 14 77.257 -7.332 11.113 104 HA GLN 14 HA GLN 14 76.128 -5.750 13.233 105 1HB GLN 14 HB2 GLN 14 77.021 -8.077 13.516 106 2HB GLN 14 HB1 GLN 14 78.650 -7.436 13.305 107 1HG GLN 14 HG2 GLN 14 78.439 -6.055 15.275 108 2HG GLN 14 HG1 GLN 14 76.728 -6.456 15.431 109 1HE2 GLN 14 HE21 GLN 14 77.960 -7.082 17.691 110 2HE2 GLN 14 HE22 GLN 14 78.365 -8.727 17.805 111 H LEU 15 HN LEU 15 79.165 -5.594 11.424 112 HA LEU 15 HA LEU 15 80.461 -3.657 13.082 113 1HB LEU 15 HB2 LEU 15 81.673 -4.923 11.353 114 2HB LEU 15 HB1 LEU 15 80.726 -4.127 10.094 115 HG LEU 15 HG LEU 15 81.614 -1.936 10.816 116 1HD1 LEU 15 HD11 LEU 15 82.144 -2.039 13.067 117 2HD1 LEU 15 HD12 LEU 15 83.749 -2.278 12.375 118 3HD1 LEU 15 HD13 LEU 15 82.818 -3.665 12.940 119 1HD2 LEU 15 HD21 LEU 15 82.797 -3.397 9.109 120 2HD2 LEU 15 HD22 LEU 15 83.876 -3.912 10.406 121 3HD2 LEU 15 HD23 LEU 15 83.831 -2.217 9.915 122 H LYS 16 HN LYS 16 78.271 -3.348 10.305 123 HA LYS 16 HA LYS 16 78.433 -0.508 10.045 124 1HB LYS 16 HB2 LYS 16 77.408 -2.003 8.341 125 2HB LYS 16 HB1 LYS 16 76.069 -2.314 9.447 126 1HG LYS 16 HG2 LYS 16 75.460 0.046 9.445 127 2HG LYS 16 HG1 LYS 16 76.861 0.436 8.444 128 1HD LYS 16 HD2 LYS 16 75.969 -0.966 6.628 129 2HD LYS 16 HD1 LYS 16 74.575 -1.381 7.625 130 1HE LYS 16 HE2 LYS 16 73.910 0.983 7.712 131 2HE LYS 16 HE1 LYS 16 75.323 1.425 6.752 132 1HZ LYS 16 HZ1 LYS 16 72.827 0.580 5.842 133 2HZ LYS 16 HZ2 LYS 16 73.941 -0.640 5.445 134 3HZ LYS 16 HZ3 LYS 16 74.201 0.956 4.920 135 H GLN 17 HN GLN 17 76.311 -2.589 12.004 136 HA GLN 17 HA GLN 17 74.586 -0.570 12.992 137 1HB GLN 17 HB2 GLN 17 75.614 -3.082 14.348 138 2HB GLN 17 HB1 GLN 17 74.290 -2.092 14.965 139 1HG GLN 17 HG2 GLN 17 74.336 -3.383 12.222 140 2HG GLN 17 HG1 GLN 17 73.485 -4.036 13.622 141 1HE2 GLN 17 HE21 GLN 17 72.758 -2.474 10.883 142 2HE2 GLN 17 HE22 GLN 17 71.511 -1.450 11.411 143 H ALA 18 HN ALA 18 77.718 -1.724 14.250 144 HA ALA 18 HA ALA 18 77.772 0.080 16.491 145 1HB ALA 18 HB1 ALA 18 80.369 -0.371 16.159 146 2HB ALA 18 HB2 ALA 18 79.781 -1.618 15.058 147 3HB ALA 18 HB3 ALA 18 79.303 -1.643 16.757 148 H LEU 19 HN LEU 19 79.049 0.280 13.176 149 HA LEU 19 HA LEU 19 80.383 2.791 13.505 150 1HB LEU 19 HB2 LEU 19 79.164 1.462 11.071 151 2HB LEU 19 HB1 LEU 19 80.101 2.955 10.993 152 HG LEU 19 HG LEU 19 81.131 0.371 12.199 153 1HD1 LEU 19 HD11 LEU 19 81.580 1.600 9.462 154 2HD1 LEU 19 HD12 LEU 19 80.801 0.055 9.807 155 3HD1 LEU 19 HD13 LEU 19 82.524 0.263 10.120 156 1HD2 LEU 19 HD21 LEU 19 83.294 1.871 11.514 157 2HD2 LEU 19 HD22 LEU 19 82.545 1.924 13.110 158 3HD2 LEU 19 HD23 LEU 19 82.141 3.147 11.905 159 H LYS 20 HN LYS 20 77.047 1.950 12.638 160 HA LYS 20 HA LYS 20 76.157 4.573 11.973 161 1HB LYS 20 HB2 LYS 20 74.861 2.443 11.614 162 2HB LYS 20 HB1 LYS 20 74.538 2.408 13.347 163 1HG LYS 20 HG2 LYS 20 73.420 4.584 13.212 164 2HG LYS 20 HG1 LYS 20 73.791 4.687 11.490 165 1HD LYS 20 HD2 LYS 20 72.453 2.652 11.079 166 2HD LYS 20 HD1 LYS 20 72.075 2.556 12.799 167 1HE LYS 20 HE2 LYS 20 70.969 4.752 12.693 168 2HE LYS 20 HE1 LYS 20 71.366 4.875 10.979 169 1HZ LYS 20 HZ1 LYS 20 70.083 2.833 10.608 170 2HZ LYS 20 HZ2 LYS 20 69.126 4.086 11.240 171 3HZ LYS 20 HZ3 LYS 20 69.641 2.817 12.245 172 H THR 21 HN THR 21 76.538 2.932 15.081 173 HA THR 21 HA THR 21 75.200 4.920 16.667 174 HB THR 21 HB THR 21 77.489 3.122 17.519 175 HG1 THR 21 HG1 THR 21 74.867 2.417 18.011 176 1HG2 THR 21 HG21 THR 21 75.958 5.093 18.870 177 2HG2 THR 21 HG22 THR 21 77.113 3.957 19.569 178 3HG2 THR 21 HG23 THR 21 75.407 3.524 19.457 179 H ARG 22 HN ARG 22 78.567 4.533 15.599 180 HA ARG 22 HA ARG 22 79.591 6.748 17.136 181 1HB ARG 22 HB2 ARG 22 80.607 5.413 14.609 182 2HB ARG 22 HB1 ARG 22 81.511 6.626 15.516 183 1HG ARG 22 HG2 ARG 22 81.383 5.178 17.534 184 2HG ARG 22 HG1 ARG 22 80.554 3.950 16.575 185 1HD ARG 22 HD2 ARG 22 82.514 3.859 15.045 186 2HD ARG 22 HD1 ARG 22 83.348 5.020 16.078 187 HE ARG 22 HE ARG 22 82.871 2.185 16.699 188 1HH1 ARG 22 HH21 ARG 22 83.676 5.361 17.776 189 2HH1 ARG 22 HH22 ARG 22 84.466 4.815 19.217 190 1HH2 ARG 22 HH11 ARG 22 83.900 1.456 18.574 191 2HH2 ARG 22 HH12 ARG 22 84.593 2.604 19.668 192 H GLY 23 HN GLY 23 77.737 6.526 14.232 193 1HA GLY 23 HA2 GLY 23 76.607 8.655 13.562 194 2HA GLY 23 HA1 GLY 23 78.162 9.456 13.796 195 H VAL 24 HN VAL 24 77.258 6.433 12.114 196 HA VAL 24 HA VAL 24 78.521 7.582 9.656 197 HB VAL 24 HB VAL 24 78.636 4.759 10.749 198 1HG1 VAL 24 HG11 VAL 24 78.995 5.837 7.990 199 2HG1 VAL 24 HG12 VAL 24 78.438 4.247 8.512 200 3HG1 VAL 24 HG13 VAL 24 80.159 4.632 8.544 201 1HG2 VAL 24 HG21 VAL 24 80.269 6.509 11.577 202 2HG2 VAL 24 HG22 VAL 24 80.846 6.662 9.917 203 3HG2 VAL 24 HG23 VAL 24 81.023 5.131 10.775 204 H LYS 25 HN LYS 25 77.195 7.595 7.891 205 HA LYS 25 HA LYS 25 74.797 5.807 7.957 206 1HB LYS 25 HB2 LYS 25 74.827 8.574 6.733 207 2HB LYS 25 HB1 LYS 25 73.428 7.562 7.094 208 1HG LYS 25 HG2 LYS 25 75.309 8.560 9.243 209 2HG LYS 25 HG1 LYS 25 73.874 9.457 8.744 210 1HD LYS 25 HD2 LYS 25 72.482 7.456 9.257 211 2HD LYS 25 HD1 LYS 25 73.928 6.632 9.842 212 1HE LYS 25 HE2 LYS 25 74.252 8.397 11.536 213 2HE LYS 25 HE1 LYS 25 72.804 9.219 10.956 214 1HZ LYS 25 HZ1 LYS 25 72.504 6.409 11.633 215 2HZ LYS 25 HZ2 LYS 25 71.452 7.714 11.910 216 3HZ LYS 25 HZ3 LYS 25 72.781 7.458 12.937 217 H VAL 26 HN VAL 26 75.466 4.283 6.467 218 HA VAL 26 HA VAL 26 76.037 5.304 3.723 219 HB VAL 26 HB VAL 26 77.730 3.491 3.457 220 1HG1 VAL 26 HG11 VAL 26 78.420 5.792 4.059 221 2HG1 VAL 26 HG12 VAL 26 79.490 4.591 4.783 222 3HG1 VAL 26 HG13 VAL 26 78.262 5.385 5.768 223 1HG2 VAL 26 HG21 VAL 26 76.990 1.930 5.144 224 2HG2 VAL 26 HG22 VAL 26 77.171 3.139 6.415 225 3HG2 VAL 26 HG23 VAL 26 78.598 2.483 5.613 226 H LYS 27 HN LYS 27 75.615 3.608 2.054 227 HA LYS 27 HA LYS 27 73.140 2.197 2.660 228 1HB LYS 27 HB2 LYS 27 74.899 2.231 0.189 229 2HB LYS 27 HB1 LYS 27 73.334 1.422 0.281 230 1HG LYS 27 HG2 LYS 27 72.259 3.578 0.849 231 2HG LYS 27 HG1 LYS 27 73.824 4.383 0.726 232 1HD LYS 27 HD2 LYS 27 73.997 3.724 -1.635 233 2HD LYS 27 HD1 LYS 27 72.454 2.876 -1.522 234 1HE LYS 27 HE2 LYS 27 71.315 4.987 -0.984 235 2HE LYS 27 HE1 LYS 27 72.853 5.846 -1.053 236 1HZ LYS 27 HZ1 LYS 27 71.775 6.124 -3.132 237 2HZ LYS 27 HZ2 LYS 27 71.467 4.459 -3.278 238 3HZ LYS 27 HZ3 LYS 27 73.059 5.045 -3.382 239 H TYR 28 HN TYR 28 72.851 -0.057 2.797 240 HA TYR 28 HA TYR 28 74.964 -1.585 3.940 241 1HB TYR 28 HB2 TYR 28 72.534 -2.104 4.200 242 2HB TYR 28 HB1 TYR 28 72.496 -2.632 2.517 243 HD1 TYR 28 HD1 TYR 28 73.445 -4.737 1.836 244 HD2 TYR 28 HD2 TYR 28 73.896 -3.344 5.874 245 HE1 TYR 28 HE1 TYR 28 74.270 -6.975 2.516 246 HE2 TYR 28 HE2 TYR 28 74.720 -5.582 6.554 247 HH TYR 28 HH TYR 28 75.811 -7.850 4.467 248 H ALA 29 HN ALA 29 73.768 -1.361 0.606 249 HA ALA 29 HA ALA 29 75.276 -3.491 -0.511 250 1HB ALA 29 HB1 ALA 29 73.661 -2.541 -1.943 251 2HB ALA 29 HB2 ALA 29 75.187 -1.981 -2.629 252 3HB ALA 29 HB3 ALA 29 74.219 -0.898 -1.629 253 H ASP 30 HN ASP 30 76.199 -0.200 0.347 254 HA ASP 30 HA ASP 30 78.668 -0.070 -1.062 255 1HB ASP 30 HB2 ASP 30 77.822 1.166 1.574 256 2HB ASP 30 HB1 ASP 30 79.325 1.568 0.743 257 H LEU 31 HN LEU 31 77.861 -1.428 2.121 258 HA LEU 31 HA LEU 31 80.538 -2.043 2.913 259 1HB LEU 31 HB2 LEU 31 77.820 -3.078 3.659 260 2HB LEU 31 HB1 LEU 31 79.254 -3.931 4.230 261 HG LEU 31 HG LEU 31 78.421 -2.167 5.822 262 1HD1 LEU 31 HD11 LEU 31 80.559 -1.991 6.523 263 2HD1 LEU 31 HD12 LEU 31 81.002 -1.024 5.116 264 3HD1 LEU 31 HD13 LEU 31 81.032 -2.784 5.020 265 1HD2 LEU 31 HD21 LEU 31 77.834 -0.631 3.797 266 2HD2 LEU 31 HD22 LEU 31 79.533 -0.164 3.861 267 3HD2 LEU 31 HD23 LEU 31 78.488 0.119 5.253 268 H LEU 32 HN LEU 32 78.104 -3.943 1.131 269 HA LEU 32 HA LEU 32 79.691 -6.309 0.871 270 1HB LEU 32 HB2 LEU 32 77.477 -5.176 -0.862 271 2HB LEU 32 HB1 LEU 32 78.185 -6.773 -1.107 272 HG LEU 32 HG LEU 32 76.913 -5.844 1.484 273 1HD1 LEU 32 HD11 LEU 32 75.830 -7.158 -0.956 274 2HD1 LEU 32 HD12 LEU 32 75.019 -6.123 0.220 275 3HD1 LEU 32 HD13 LEU 32 75.310 -7.822 0.593 276 1HD2 LEU 32 HD21 LEU 32 78.411 -8.246 0.599 277 2HD2 LEU 32 HD22 LEU 32 76.939 -8.566 1.517 278 3HD2 LEU 32 HD23 LEU 32 78.217 -7.575 2.218 279 H LYS 33 HN LYS 33 79.380 -3.417 -1.184 280 HA LYS 33 HA LYS 33 81.088 -4.352 -3.286 281 1HB LYS 33 HB2 LYS 33 80.467 -1.539 -2.334 282 2HB LYS 33 HB1 LYS 33 81.344 -1.910 -3.819 283 1HG LYS 33 HG2 LYS 33 79.422 -3.159 -4.678 284 2HG LYS 33 HG1 LYS 33 78.545 -2.882 -3.173 285 1HD LYS 33 HD2 LYS 33 78.635 -0.445 -3.571 286 2HD LYS 33 HD1 LYS 33 79.494 -0.729 -5.085 287 1HE LYS 33 HE2 LYS 33 77.560 -2.077 -5.892 288 2HE LYS 33 HE1 LYS 33 76.696 -1.679 -4.407 289 1HZ LYS 33 HZ1 LYS 33 76.957 -0.144 -6.752 290 2HZ LYS 33 HZ2 LYS 33 77.669 0.702 -5.462 291 3HZ LYS 33 HZ3 LYS 33 76.050 0.196 -5.359 292 H PHE 34 HN PHE 34 81.743 -2.625 -0.254 293 HA PHE 34 HA PHE 34 84.478 -2.024 -0.705 294 1HB PHE 34 HB2 PHE 34 83.332 -1.108 1.223 295 2HB PHE 34 HB1 PHE 34 83.021 -2.724 1.859 296 HD1 PHE 34 HD1 PHE 34 85.889 -0.585 0.723 297 HD2 PHE 34 HD2 PHE 34 84.490 -3.600 3.443 298 HE1 PHE 34 HE1 PHE 34 88.079 -0.551 1.886 299 HE2 PHE 34 HE2 PHE 34 86.680 -3.566 4.607 300 HZ PHE 34 HZ PHE 34 88.474 -2.042 3.830 301 H PHE 35 HN PHE 35 83.019 -4.922 0.803 302 HA PHE 35 HA PHE 35 85.497 -6.307 1.180 303 1HB PHE 35 HB2 PHE 35 82.610 -7.117 1.047 304 2HB PHE 35 HB1 PHE 35 83.852 -8.369 1.016 305 HD1 PHE 35 HD1 PHE 35 84.801 -9.123 3.023 306 HD2 PHE 35 HD2 PHE 35 82.833 -5.306 2.916 307 HE1 PHE 35 HE1 PHE 35 85.080 -8.910 5.479 308 HE2 PHE 35 HE2 PHE 35 83.112 -5.094 5.371 309 HZ PHE 35 HZ PHE 35 84.235 -6.895 6.652 310 H ASP 36 HN ASP 36 83.105 -6.413 -1.471 311 HA ASP 36 HA ASP 36 84.401 -8.393 -3.036 312 1HB ASP 36 HB2 ASP 36 82.539 -6.119 -3.659 313 2HB ASP 36 HB1 ASP 36 83.285 -7.015 -4.984 314 H PHE 37 HN PHE 37 84.829 -4.860 -2.967 315 HA PHE 37 HA PHE 37 86.756 -4.770 -5.097 316 1HB PHE 37 HB2 PHE 37 85.505 -2.784 -4.217 317 2HB PHE 37 HB1 PHE 37 86.487 -2.862 -2.754 318 HD1 PHE 37 HD1 PHE 37 88.738 -2.061 -2.717 319 HD2 PHE 37 HD2 PHE 37 86.613 -2.373 -6.437 320 HE1 PHE 37 HE1 PHE 37 90.538 -0.787 -3.853 321 HE2 PHE 37 HE2 PHE 37 88.412 -1.099 -7.573 322 HZ PHE 37 HZ PHE 37 90.375 -0.307 -6.281 323 H VAL 38 HN VAL 38 87.095 -4.984 -1.554 324 HA VAL 38 HA VAL 38 89.939 -4.875 -1.471 325 HB VAL 38 HB VAL 38 87.943 -6.257 0.342 326 1HG1 VAL 38 HG11 VAL 38 90.148 -5.858 1.880 327 2HG1 VAL 38 HG12 VAL 38 90.908 -6.221 0.330 328 3HG1 VAL 38 HG13 VAL 38 89.798 -7.381 1.062 329 1HG2 VAL 38 HG21 VAL 38 88.085 -3.667 0.019 330 2HG2 VAL 38 HG22 VAL 38 89.585 -3.801 0.937 331 3HG2 VAL 38 HG23 VAL 38 88.059 -4.312 1.660 332 H LYS 39 HN LYS 39 87.741 -7.682 -1.722 333 HA LYS 39 HA LYS 39 89.844 -9.638 -1.853 334 1HB LYS 39 HB2 LYS 39 87.270 -9.943 -1.469 335 2HB LYS 39 HB1 LYS 39 87.194 -10.004 -3.231 336 1HG LYS 39 HG2 LYS 39 88.741 -11.870 -3.293 337 2HG LYS 39 HG1 LYS 39 89.022 -11.747 -1.556 338 1HD LYS 39 HD2 LYS 39 86.667 -12.297 -1.118 339 2HD LYS 39 HD1 LYS 39 86.356 -12.388 -2.852 340 1HE LYS 39 HE2 LYS 39 88.224 -14.164 -1.256 341 2HE LYS 39 HE1 LYS 39 86.700 -14.643 -2.004 342 1HZ LYS 39 HZ1 LYS 39 88.047 -15.243 -3.681 343 2HZ LYS 39 HZ2 LYS 39 89.300 -14.195 -3.212 344 3HZ LYS 39 HZ3 LYS 39 87.974 -13.599 -4.091 345 H ASP 40 HN ASP 40 88.240 -7.634 -4.267 346 HA ASP 40 HA ASP 40 89.301 -9.001 -6.572 347 1HB ASP 40 HB2 ASP 40 88.310 -6.164 -6.179 348 2HB ASP 40 HB1 ASP 40 88.753 -6.838 -7.748 349 H THR 41 HN THR 41 90.696 -6.859 -4.259 350 HA THR 41 HA THR 41 92.593 -5.447 -5.793 351 HB THR 41 HB THR 41 93.229 -6.635 -3.088 352 HG1 THR 41 HG1 THR 41 91.145 -5.103 -3.784 353 1HG2 THR 41 HG21 THR 41 94.760 -5.096 -4.650 354 2HG2 THR 41 HG22 THR 41 94.746 -4.914 -2.896 355 3HG2 THR 41 HG23 THR 41 93.794 -3.824 -3.904 356 H CYS 42 HN CYS 42 93.200 -8.521 -4.042 357 HA CYS 42 HA CYS 42 95.457 -9.002 -5.933 358 1HB CYS 42 HB2 CYS 42 96.516 -9.316 -3.944 359 2HB CYS 42 HB1 CYS 42 95.002 -9.555 -3.071 360 HG CYS 42 HG CYS 42 95.944 -11.907 -3.064 361 HA PRO 43 HA PRO 43 93.126 -13.362 -5.316 362 1HB PRO 43 HB2 PRO 43 90.463 -12.051 -4.899 363 2HB PRO 43 HB1 PRO 43 91.074 -13.591 -4.262 364 1HG PRO 43 HG2 PRO 43 90.947 -11.370 -2.765 365 2HG PRO 43 HG1 PRO 43 92.215 -12.589 -2.557 366 1HD PRO 43 HD2 PRO 43 92.507 -9.834 -3.645 367 2HD PRO 43 HD1 PRO 43 93.713 -10.966 -2.997 368 H TRP 44 HN TRP 44 91.116 -10.660 -6.562 369 HA TRP 44 HA TRP 44 91.321 -11.909 -9.268 370 1HB TRP 44 HB2 TRP 44 88.813 -10.633 -8.137 371 2HB TRP 44 HB1 TRP 44 88.981 -11.438 -9.698 372 HD1 TRP 44 HD1 TRP 44 90.460 -14.031 -8.975 373 HE1 TRP 44 HE1 TRP 44 89.364 -15.837 -7.498 374 HE3 TRP 44 HE3 TRP 44 86.934 -11.205 -6.599 375 HZ2 TRP 44 HZ2 TRP 44 87.267 -16.055 -5.562 376 HZ3 TRP 44 HZ3 TRP 44 85.401 -12.235 -4.946 377 HH2 TRP 44 HH2 TRP 44 85.564 -14.654 -4.424 378 H PHE 45 HN PHE 45 89.542 -9.760 -10.305 379 HA PHE 45 HA PHE 45 90.461 -7.162 -9.692 380 1HB PHE 45 HB2 PHE 45 92.462 -8.727 -10.975 381 2HB PHE 45 HB1 PHE 45 91.893 -7.539 -12.148 382 HD1 PHE 45 HD1 PHE 45 94.267 -8.048 -9.683 383 HD2 PHE 45 HD2 PHE 45 91.381 -5.124 -10.936 384 HE1 PHE 45 HE1 PHE 45 95.554 -6.278 -8.516 385 HE2 PHE 45 HE2 PHE 45 92.667 -3.354 -9.767 386 HZ PHE 45 HZ PHE 45 94.754 -3.931 -8.558 387 HA PRO 46 HA PRO 46 88.706 -7.483 -14.287 388 1HB PRO 46 HB2 PRO 46 87.440 -10.160 -14.040 389 2HB PRO 46 HB1 PRO 46 88.308 -9.443 -15.411 390 1HG PRO 46 HG2 PRO 46 89.387 -11.365 -13.894 391 2HG PRO 46 HG1 PRO 46 90.358 -10.070 -14.615 392 1HD PRO 46 HD2 PRO 46 89.482 -10.423 -11.777 393 2HD PRO 46 HD1 PRO 46 90.977 -9.694 -12.404 394 H GLN 47 HN GLN 47 87.130 -8.955 -11.482 395 HA GLN 47 HA GLN 47 84.437 -8.273 -12.206 396 1HB GLN 47 HB2 GLN 47 85.721 -8.710 -9.495 397 2HB GLN 47 HB1 GLN 47 83.983 -8.543 -9.752 398 1HG GLN 47 HG2 GLN 47 83.981 -10.497 -11.224 399 2HG GLN 47 HG1 GLN 47 85.732 -10.645 -11.064 400 1HE2 GLN 47 HE21 GLN 47 82.904 -11.940 -9.879 401 2HE2 GLN 47 HE22 GLN 47 83.448 -12.453 -8.354 402 H GLU 48 HN GLU 48 83.513 -6.284 -12.278 403 HA GLU 48 HA GLU 48 84.666 -4.134 -10.554 404 1HB GLU 48 HB2 GLU 48 83.907 -3.946 -13.483 405 2HB GLU 48 HB1 GLU 48 84.231 -2.544 -12.461 406 1HG GLU 48 HG2 GLU 48 86.494 -3.376 -12.001 407 2HG GLU 48 HG1 GLU 48 86.177 -4.813 -12.974 408 H GLY 49 HN GLY 49 83.111 -2.373 -10.120 409 1HA GLY 49 HA2 GLY 49 80.299 -2.793 -10.808 410 2HA GLY 49 HA1 GLY 49 80.670 -3.126 -9.116 411 H THR 50 HN THR 50 78.963 -0.984 -10.072 412 HA THR 50 HA THR 50 80.337 1.531 -10.089 413 HB THR 50 HB THR 50 77.532 1.047 -9.052 414 HG1 THR 50 HG1 THR 50 77.926 0.052 -11.105 415 1HG2 THR 50 HG21 THR 50 78.457 3.317 -8.750 416 2HG2 THR 50 HG22 THR 50 77.151 3.312 -9.936 417 3HG2 THR 50 HG23 THR 50 78.829 3.389 -10.472 418 H ILE 51 HN ILE 51 80.877 2.921 -8.388 419 HA ILE 51 HA ILE 51 80.457 1.841 -5.630 420 HB ILE 51 HB ILE 51 82.876 1.841 -6.815 421 1HG1 ILE 51 HG12 ILE 51 82.437 0.934 -4.601 422 2HG1 ILE 51 HG11 ILE 51 83.827 2.015 -4.495 423 1HG2 ILE 51 HG21 ILE 51 84.133 3.830 -6.183 424 2HG2 ILE 51 HG22 ILE 51 82.702 4.531 -5.427 425 3HG2 ILE 51 HG23 ILE 51 82.759 4.313 -7.176 426 1HD1 ILE 51 HD11 ILE 51 81.016 2.451 -3.527 427 2HD1 ILE 51 HD12 ILE 51 82.026 3.838 -3.937 428 3HD1 ILE 51 HD13 ILE 51 82.538 2.717 -2.676 429 H ASP 52 HN ASP 52 79.635 3.316 -4.198 430 HA ASP 52 HA ASP 52 78.754 5.895 -5.179 431 1HB ASP 52 HB2 ASP 52 78.699 4.542 -2.481 432 2HB ASP 52 HB1 ASP 52 78.153 6.207 -2.686 433 H ILE 53 HN ILE 53 79.724 7.884 -4.919 434 HA ILE 53 HA ILE 53 82.496 8.029 -4.181 435 HB ILE 53 HB ILE 53 80.514 10.317 -4.327 436 1HG1 ILE 53 HG12 ILE 53 82.190 9.059 -6.525 437 2HG1 ILE 53 HG11 ILE 53 80.439 8.908 -6.369 438 1HG2 ILE 53 HG21 ILE 53 82.811 10.724 -3.338 439 2HG2 ILE 53 HG22 ILE 53 82.450 11.679 -4.776 440 3HG2 ILE 53 HG23 ILE 53 83.488 10.259 -4.898 441 1HD1 ILE 53 HD11 ILE 53 80.269 11.407 -6.491 442 2HD1 ILE 53 HD12 ILE 53 80.916 10.679 -7.961 443 3HD1 ILE 53 HD13 ILE 53 82.001 11.467 -6.816 444 H LYS 54 HN LYS 54 79.550 8.254 -2.353 445 HA LYS 54 HA LYS 54 80.527 9.761 -0.122 446 1HB LYS 54 HB2 LYS 54 78.384 7.623 -0.296 447 2HB LYS 54 HB1 LYS 54 78.673 8.613 1.136 448 1HG LYS 54 HG2 LYS 54 78.280 10.655 -0.218 449 2HG LYS 54 HG1 LYS 54 77.934 9.643 -1.620 450 1HD LYS 54 HD2 LYS 54 76.431 9.257 0.963 451 2HD LYS 54 HD1 LYS 54 75.927 10.485 -0.200 452 1HE LYS 54 HE2 LYS 54 75.979 8.630 -1.962 453 2HE LYS 54 HE1 LYS 54 76.106 7.496 -0.617 454 1HZ LYS 54 HZ1 LYS 54 73.881 7.594 -0.664 455 2HZ LYS 54 HZ2 LYS 54 73.846 9.071 -1.503 456 3HZ LYS 54 HZ3 LYS 54 74.080 9.051 0.180 457 H PHE 55 HN PHE 55 80.567 6.281 -0.856 458 HA PHE 55 HA PHE 55 81.867 5.644 1.692 459 1HB PHE 55 HB2 PHE 55 80.295 4.137 0.219 460 2HB PHE 55 HB1 PHE 55 81.781 3.767 -0.654 461 HD1 PHE 55 HD1 PHE 55 83.612 2.557 0.417 462 HD2 PHE 55 HD2 PHE 55 80.005 3.480 2.559 463 HE1 PHE 55 HE1 PHE 55 84.258 0.955 2.196 464 HE2 PHE 55 HE2 PHE 55 80.652 1.879 4.339 465 HZ PHE 55 HZ PHE 55 82.779 0.616 4.158 466 H TRP 56 HN TRP 56 82.862 6.664 -1.441 467 HA TRP 56 HA TRP 56 85.403 5.418 -1.655 468 1HB TRP 56 HB2 TRP 56 84.638 6.648 -3.541 469 2HB TRP 56 HB1 TRP 56 84.371 8.103 -2.581 470 HD1 TRP 56 HD1 TRP 56 87.488 5.825 -2.829 471 HE1 TRP 56 HE1 TRP 56 89.517 7.305 -3.409 472 HE3 TRP 56 HE3 TRP 56 85.168 10.347 -3.315 473 HZ2 TRP 56 HZ2 TRP 56 90.081 10.046 -4.001 474 HZ3 TRP 56 HZ3 TRP 56 86.474 12.374 -3.887 475 HH2 TRP 56 HH2 TRP 56 88.925 12.231 -4.230 476 H ARG 57 HN ARG 57 84.381 8.290 0.161 477 HA ARG 57 HA ARG 57 86.958 9.213 0.924 478 1HB ARG 57 HB2 ARG 57 84.466 9.296 2.647 479 2HB ARG 57 HB1 ARG 57 85.840 10.401 2.702 480 1HG ARG 57 HG2 ARG 57 84.046 10.042 0.285 481 2HG ARG 57 HG1 ARG 57 83.864 11.336 1.470 482 1HD ARG 57 HD2 ARG 57 86.318 11.908 0.995 483 2HD ARG 57 HD1 ARG 57 86.182 10.843 -0.406 484 HE ARG 57 HE ARG 57 84.023 12.735 -0.414 485 1HH1 ARG 57 HH21 ARG 57 87.421 12.395 -0.890 486 2HH1 ARG 57 HH22 ARG 57 87.531 13.714 -2.007 487 1HH2 ARG 57 HH11 ARG 57 84.147 14.458 -1.871 488 2HH2 ARG 57 HH12 ARG 57 85.678 14.882 -2.562 489 H ARG 58 HN ARG 58 84.816 6.812 2.460 490 HA ARG 58 HA ARG 58 86.558 6.304 4.693 491 1HB ARG 58 HB2 ARG 58 84.408 4.613 3.387 492 2HB ARG 58 HB1 ARG 58 85.230 4.166 4.882 493 1HG ARG 58 HG2 ARG 58 84.450 6.223 5.959 494 2HG ARG 58 HG1 ARG 58 83.681 6.738 4.457 495 1HD ARG 58 HD2 ARG 58 81.987 5.750 5.892 496 2HD ARG 58 HD1 ARG 58 82.275 4.664 4.533 497 HE ARG 58 HE ARG 58 83.184 3.085 6.048 498 1HH1 ARG 58 HH21 ARG 58 82.826 6.218 7.444 499 2HH1 ARG 58 HH22 ARG 58 83.191 5.689 9.052 500 1HH2 ARG 58 HH11 ARG 58 83.664 2.376 8.139 501 2HH2 ARG 58 HH12 ARG 58 83.666 3.514 9.445 502 H VAL 59 HN VAL 59 86.289 4.904 1.450 503 HA VAL 59 HA VAL 59 88.064 2.701 1.875 504 HB VAL 59 HB VAL 59 87.297 4.265 -0.599 505 1HG1 VAL 59 HG11 VAL 59 88.339 2.191 -1.762 506 2HG1 VAL 59 HG12 VAL 59 89.226 1.973 -0.252 507 3HG1 VAL 59 HG13 VAL 59 89.431 3.453 -1.191 508 1HG2 VAL 59 HG21 VAL 59 85.989 2.316 0.907 509 2HG2 VAL 59 HG22 VAL 59 86.686 1.411 -0.437 510 3HG2 VAL 59 HG23 VAL 59 85.606 2.769 -0.756 511 H GLY 60 HN GLY 60 88.642 6.035 0.760 512 1HA GLY 60 HA2 GLY 60 91.421 5.762 0.225 513 2HA GLY 60 HA1 GLY 60 90.632 7.276 0.672 514 H ASP 61 HN ASP 61 89.748 6.737 3.232 515 HA ASP 61 HA ASP 61 92.175 7.025 4.758 516 1HB ASP 61 HB2 ASP 61 89.258 6.759 5.428 517 2HB ASP 61 HB1 ASP 61 90.458 6.637 6.715 518 H CYS 62 HN CYS 62 89.900 4.336 4.278 519 HA CYS 62 HA CYS 62 91.117 2.572 6.189 520 1HB CYS 62 HB2 CYS 62 89.265 2.249 3.858 521 2HB CYS 62 HB1 CYS 62 90.038 0.809 4.521 522 HG CYS 62 HG CYS 62 87.775 2.325 5.832 523 H PHE 63 HN PHE 63 91.495 2.819 2.637 524 HA PHE 63 HA PHE 63 93.476 0.792 2.394 525 1HB PHE 63 HB2 PHE 63 92.589 3.117 0.753 526 2HB PHE 63 HB1 PHE 63 94.170 2.431 0.378 527 HD1 PHE 63 HD1 PHE 63 90.970 0.873 1.559 528 HD2 PHE 63 HD2 PHE 63 93.970 1.065 -1.510 529 HE1 PHE 63 HE1 PHE 63 89.873 -1.006 0.369 530 HE2 PHE 63 HE2 PHE 63 92.872 -0.814 -2.700 531 HZ PHE 63 HZ PHE 63 90.824 -1.849 -1.761 532 H GLN 64 HN GLN 64 93.799 4.295 2.968 533 HA GLN 64 HA GLN 64 96.652 4.372 2.929 534 1HB GLN 64 HB2 GLN 64 95.175 6.388 2.892 535 2HB GLN 64 HB1 GLN 64 94.777 6.089 4.585 536 1HG GLN 64 HG2 GLN 64 97.199 6.243 5.150 537 2HG GLN 64 HG1 GLN 64 97.541 6.644 3.467 538 1HE2 GLN 64 HE21 GLN 64 98.137 8.850 3.675 539 2HE2 GLN 64 HE22 GLN 64 97.113 10.042 4.318 540 H ASP 65 HN ASP 65 94.342 3.512 5.458 541 HA ASP 65 HA ASP 65 96.204 3.501 7.640 542 1HB ASP 65 HB2 ASP 65 93.793 3.430 8.036 543 2HB ASP 65 HB1 ASP 65 93.677 1.880 7.203 544 H TYR 66 HN TYR 66 95.182 0.973 5.347 545 HA TYR 66 HA TYR 66 96.803 -1.096 6.541 546 1HB TYR 66 HB2 TYR 66 95.569 -0.795 3.792 547 2HB TYR 66 HB1 TYR 66 96.447 -2.238 4.302 548 HD1 TYR 66 HD1 TYR 66 93.272 -0.669 4.198 549 HD2 TYR 66 HD2 TYR 66 95.694 -3.262 6.620 550 HE1 TYR 66 HE1 TYR 66 91.235 -1.507 5.338 551 HE2 TYR 66 HE2 TYR 66 93.657 -4.100 7.760 552 HH TYR 66 HH TYR 66 90.449 -2.751 7.015 553 H TYR 67 HN TYR 67 97.352 1.317 4.018 554 HA TYR 67 HA TYR 67 99.780 0.261 2.972 555 1HB TYR 67 HB2 TYR 67 98.852 2.035 1.733 556 2HB TYR 67 HB1 TYR 67 98.634 3.042 3.164 557 HD1 TYR 67 HD1 TYR 67 101.301 1.415 1.099 558 HD2 TYR 67 HD2 TYR 67 100.253 4.641 3.735 559 HE1 TYR 67 HE1 TYR 67 103.519 2.454 0.710 560 HE2 TYR 67 HE2 TYR 67 102.472 5.679 3.346 561 HH TYR 67 HH TYR 67 104.453 5.469 2.371 562 H ASN 68 HN ASN 68 99.320 2.769 5.495 563 HA ASN 68 HA ASN 68 102.113 2.892 6.168 564 1HB ASN 68 HB2 ASN 68 99.614 3.693 7.680 565 2HB ASN 68 HB1 ASN 68 101.241 3.985 8.293 566 1HD2 ASN 68 HD21 ASN 68 102.443 4.553 5.673 567 2HD2 ASN 68 HD22 ASN 68 101.832 6.053 5.166 568 H THR 69 HN THR 69 99.403 0.965 7.380 569 HA THR 69 HA THR 69 100.744 -0.091 9.684 570 HB THR 69 HB THR 69 98.548 -1.336 7.999 571 HG1 THR 69 HG1 THR 69 98.138 -0.110 10.466 572 1HG2 THR 69 HG21 THR 69 99.589 -3.008 9.411 573 2HG2 THR 69 HG22 THR 69 98.045 -2.555 10.132 574 3HG2 THR 69 HG23 THR 69 99.550 -1.919 10.797 575 H PHE 70 HN PHE 70 100.396 -1.341 6.356 576 HA PHE 70 HA PHE 70 102.518 -3.345 7.012 577 1HB PHE 70 HB2 PHE 70 100.237 -3.403 5.026 578 2HB PHE 70 HB1 PHE 70 101.587 -4.535 4.944 579 HD1 PHE 70 HD1 PHE 70 102.092 -5.996 6.957 580 HD2 PHE 70 HD2 PHE 70 98.481 -3.696 6.601 581 HE1 PHE 70 HE1 PHE 70 101.029 -7.392 8.710 582 HE2 PHE 70 HE2 PHE 70 97.418 -5.092 8.353 583 HZ PHE 70 HZ PHE 70 98.693 -6.940 9.408 584 H GLY 71 HN GLY 71 101.285 -1.342 4.311 585 1HA GLY 71 HA2 GLY 71 103.286 0.151 3.462 586 2HA GLY 71 HA1 GLY 71 104.004 -1.422 3.108 587 HA PRO 72 HA PRO 72 101.508 -0.130 -0.582 588 1HB PRO 72 HB2 PRO 72 103.542 -0.705 -2.389 589 2HB PRO 72 HB1 PRO 72 103.220 0.893 -1.697 590 1HG PRO 72 HG2 PRO 72 105.367 -1.002 -1.098 591 2HG PRO 72 HG1 PRO 72 105.282 0.742 -0.806 592 1HD PRO 72 HD2 PRO 72 105.006 -1.306 1.079 593 2HD PRO 72 HD1 PRO 72 104.671 0.422 1.334 594 H GLU 73 HN GLU 73 103.151 -2.976 0.427 595 HA GLU 73 HA GLU 73 102.587 -4.723 -1.759 596 1HB GLU 73 HB2 GLU 73 102.854 -5.247 1.214 597 2HB GLU 73 HB1 GLU 73 102.680 -6.532 0.018 598 1HG GLU 73 HG2 GLU 73 104.853 -4.421 -0.076 599 2HG GLU 73 HG1 GLU 73 105.071 -6.028 0.617 600 H LYS 74 HN LYS 74 100.719 -4.059 1.220 601 HA LYS 74 HA LYS 74 98.493 -5.721 0.466 602 1HB LYS 74 HB2 LYS 74 98.644 -3.362 2.369 603 2HB LYS 74 HB1 LYS 74 97.274 -4.466 2.244 604 1HG LYS 74 HG2 LYS 74 100.096 -5.389 2.838 605 2HG LYS 74 HG1 LYS 74 98.913 -5.023 4.094 606 1HD LYS 74 HD2 LYS 74 97.370 -6.654 2.739 607 2HD LYS 74 HD1 LYS 74 98.890 -7.241 2.067 608 1HE LYS 74 HE2 LYS 74 99.743 -7.633 4.359 609 2HE LYS 74 HE1 LYS 74 98.201 -7.083 5.015 610 1HZ LYS 74 HZ1 LYS 74 98.320 -9.502 4.847 611 2HZ LYS 74 HZ2 LYS 74 98.550 -9.382 3.167 612 3HZ LYS 74 HZ3 LYS 74 97.089 -8.870 3.867 613 H VAL 75 HN VAL 75 99.074 -2.208 0.217 614 HA VAL 75 HA VAL 75 97.178 -2.128 -2.055 615 HB VAL 75 HB VAL 75 95.990 -0.174 -1.089 616 1HG1 VAL 75 HG11 VAL 75 95.264 -2.620 -0.763 617 2HG1 VAL 75 HG12 VAL 75 94.566 -1.432 0.338 618 3HG1 VAL 75 HG13 VAL 75 95.890 -2.465 0.879 619 1HG2 VAL 75 HG21 VAL 75 98.083 -0.534 0.948 620 2HG2 VAL 75 HG22 VAL 75 96.468 -0.330 1.628 621 3HG2 VAL 75 HG23 VAL 75 97.135 0.901 0.554 622 HA PRO 76 HA PRO 76 100.870 0.495 -2.728 623 1HB PRO 76 HB2 PRO 76 101.312 -0.293 -5.297 624 2HB PRO 76 HB1 PRO 76 101.873 -1.225 -3.895 625 1HG PRO 76 HG2 PRO 76 99.577 -1.719 -5.696 626 2HG PRO 76 HG1 PRO 76 100.615 -2.869 -4.839 627 1HD PRO 76 HD2 PRO 76 98.041 -2.090 -4.076 628 2HD PRO 76 HD1 PRO 76 99.220 -2.917 -3.034 629 H VAL 77 HN VAL 77 101.292 1.778 -5.067 630 HA VAL 77 HA VAL 77 99.212 3.751 -5.144 631 HB VAL 77 HB VAL 77 100.473 4.752 -6.961 632 1HG1 VAL 77 HG11 VAL 77 102.254 5.285 -5.650 633 2HG1 VAL 77 HG12 VAL 77 102.767 3.604 -5.506 634 3HG1 VAL 77 HG13 VAL 77 101.487 4.226 -4.466 635 1HG2 VAL 77 HG21 VAL 77 101.287 1.948 -7.363 636 2HG2 VAL 77 HG22 VAL 77 102.609 3.106 -7.511 637 3HG2 VAL 77 HG23 VAL 77 101.179 3.266 -8.531 638 H THR 78 HN THR 78 99.575 0.716 -6.726 639 HA THR 78 HA THR 78 98.183 1.176 -9.157 640 HB THR 78 HB THR 78 97.792 -1.208 -9.208 641 HG1 THR 78 HG1 THR 78 97.115 -1.995 -7.391 642 1HG2 THR 78 HG21 THR 78 100.038 -2.066 -8.653 643 2HG2 THR 78 HG22 THR 78 100.359 -0.610 -7.711 644 3HG2 THR 78 HG23 THR 78 100.137 -0.499 -9.457 645 H ALA 79 HN ALA 79 97.020 0.770 -5.863 646 HA ALA 79 HA ALA 79 94.278 0.255 -6.433 647 1HB ALA 79 HB1 ALA 79 94.265 1.844 -4.147 648 2HB ALA 79 HB2 ALA 79 95.866 1.102 -4.129 649 3HB ALA 79 HB3 ALA 79 94.424 0.087 -4.181 650 H PHE 80 HN PHE 80 96.044 3.329 -6.062 651 HA PHE 80 HA PHE 80 93.755 5.022 -6.395 652 1HB PHE 80 HB2 PHE 80 96.715 5.449 -6.848 653 2HB PHE 80 HB1 PHE 80 95.530 6.730 -7.107 654 HD1 PHE 80 HD1 PHE 80 94.397 7.792 -5.259 655 HD2 PHE 80 HD2 PHE 80 97.043 4.475 -4.591 656 HE1 PHE 80 HE1 PHE 80 94.366 8.258 -2.824 657 HE2 PHE 80 HE2 PHE 80 97.012 4.941 -2.155 658 HZ PHE 80 HZ PHE 80 95.673 6.833 -1.272 659 H SER 81 HN SER 81 96.065 3.626 -8.705 660 HA SER 81 HA SER 81 95.127 5.002 -11.022 661 1HB SER 81 HB2 SER 81 96.325 2.225 -10.790 662 2HB SER 81 HB1 SER 81 96.152 3.132 -12.290 663 HG SER 81 HG SER 81 98.059 3.299 -10.403 664 H TYR 82 HN TYR 82 94.164 1.860 -9.621 665 HA TYR 82 HA TYR 82 92.175 1.294 -11.618 666 1HB TYR 82 HB2 TYR 82 92.669 0.305 -8.812 667 2HB TYR 82 HB1 TYR 82 91.243 -0.205 -9.713 668 HD1 TYR 82 HD1 TYR 82 94.597 -0.991 -9.012 669 HD2 TYR 82 HD2 TYR 82 91.759 -0.941 -12.236 670 HE1 TYR 82 HE1 TYR 82 95.964 -2.656 -10.241 671 HE2 TYR 82 HE2 TYR 82 93.125 -2.606 -13.466 672 HH TYR 82 HH TYR 82 96.207 -3.236 -12.891 673 H TRP 83 HN TRP 83 92.006 2.859 -8.421 674 HA TRP 83 HA TRP 83 89.168 3.240 -8.415 675 1HB TRP 83 HB2 TRP 83 91.000 3.608 -6.536 676 2HB TRP 83 HB1 TRP 83 90.995 5.258 -7.158 677 HD1 TRP 83 HD1 TRP 83 88.820 6.706 -6.827 678 HE1 TRP 83 HE1 TRP 83 86.741 6.416 -5.328 679 HE3 TRP 83 HE3 TRP 83 89.384 1.815 -5.470 680 HZ2 TRP 83 HZ2 TRP 83 85.485 4.379 -3.762 681 HZ3 TRP 83 HZ3 TRP 83 87.734 0.727 -3.976 682 HH2 TRP 83 HH2 TRP 83 85.787 2.001 -3.120 683 H ASN 84 HN ASN 84 91.830 5.111 -9.791 684 HA ASN 84 HA ASN 84 90.409 7.483 -10.430 685 1HB ASN 84 HB2 ASN 84 92.747 6.079 -11.722 686 2HB ASN 84 HB1 ASN 84 92.092 7.571 -12.396 687 1HD2 ASN 84 HD21 ASN 84 94.748 7.430 -11.279 688 2HD2 ASN 84 HD22 ASN 84 94.783 8.400 -9.886 689 H LEU 85 HN LEU 85 90.710 4.414 -12.201 690 HA LEU 85 HA LEU 85 89.227 5.220 -14.511 691 1HB LEU 85 HB2 LEU 85 89.604 2.496 -13.235 692 2HB LEU 85 HB1 LEU 85 88.844 2.750 -14.807 693 HG LEU 85 HG LEU 85 91.641 3.673 -14.089 694 1HD1 LEU 85 HD11 LEU 85 90.566 1.157 -15.306 695 2HD1 LEU 85 HD12 LEU 85 91.940 1.378 -14.222 696 3HD1 LEU 85 HD13 LEU 85 92.084 1.805 -15.926 697 1HD2 LEU 85 HD21 LEU 85 89.839 3.959 -16.440 698 2HD2 LEU 85 HD22 LEU 85 91.528 3.591 -16.788 699 3HD2 LEU 85 HD23 LEU 85 91.113 5.034 -15.863 700 H ILE 86 HN ILE 86 88.209 3.723 -11.442 701 HA ILE 86 HA ILE 86 85.443 3.458 -12.125 702 HB ILE 86 HB ILE 86 86.938 3.686 -9.515 703 1HG1 ILE 86 HG12 ILE 86 86.713 1.587 -11.117 704 2HG1 ILE 86 HG11 ILE 86 86.578 1.389 -9.369 705 1HG2 ILE 86 HG21 ILE 86 84.922 4.720 -8.889 706 2HG2 ILE 86 HG22 ILE 86 84.615 3.020 -8.538 707 3HG2 ILE 86 HG23 ILE 86 83.966 3.748 -10.007 708 1HD1 ILE 86 HD11 ILE 86 84.748 0.309 -10.864 709 2HD1 ILE 86 HD12 ILE 86 84.139 1.955 -11.045 710 3HD1 ILE 86 HD13 ILE 86 84.231 1.219 -9.444 711 H LYS 87 HN LYS 87 87.282 6.106 -10.621 712 HA LYS 87 HA LYS 87 85.151 7.826 -9.969 713 1HB LYS 87 HB2 LYS 87 88.024 8.135 -10.573 714 2HB LYS 87 HB1 LYS 87 87.057 9.580 -10.872 715 1HG LYS 87 HG2 LYS 87 86.155 9.486 -8.599 716 2HG LYS 87 HG1 LYS 87 87.038 7.991 -8.289 717 1HD LYS 87 HD2 LYS 87 89.173 9.158 -8.614 718 2HD LYS 87 HD1 LYS 87 88.312 10.654 -8.982 719 1HE LYS 87 HE2 LYS 87 87.325 10.663 -6.734 720 2HE LYS 87 HE1 LYS 87 88.135 9.141 -6.359 721 1HZ LYS 87 HZ1 LYS 87 89.144 11.639 -5.949 722 2HZ LYS 87 HZ2 LYS 87 89.937 11.122 -7.360 723 3HZ LYS 87 HZ3 LYS 87 90.030 10.193 -5.940 724 H GLU 88 HN GLU 88 86.787 7.363 -13.097 725 HA GLU 88 HA GLU 88 85.295 9.427 -14.457 726 1HB GLU 88 HB2 GLU 88 86.769 6.993 -15.505 727 2HB GLU 88 HB1 GLU 88 86.096 8.259 -16.532 728 1HG GLU 88 HG2 GLU 88 87.510 9.937 -15.447 729 2HG GLU 88 HG1 GLU 88 88.142 8.716 -14.342 730 H LEU 89 HN LEU 89 84.806 5.955 -13.955 731 HA LEU 89 HA LEU 89 82.639 5.642 -15.799 732 1HB LEU 89 HB2 LEU 89 83.795 3.703 -14.860 733 2HB LEU 89 HB1 LEU 89 83.262 4.141 -13.236 734 HG LEU 89 HG LEU 89 80.920 3.835 -13.896 735 1HD1 LEU 89 HD11 LEU 89 82.191 3.496 -16.590 736 2HD1 LEU 89 HD12 LEU 89 80.723 4.369 -16.149 737 3HD1 LEU 89 HD13 LEU 89 80.709 2.608 -16.236 738 1HD2 LEU 89 HD21 LEU 89 80.933 1.460 -13.980 739 2HD2 LEU 89 HD22 LEU 89 82.445 1.882 -13.176 740 3HD2 LEU 89 HD23 LEU 89 82.452 1.420 -14.877 741 H ILE 90 HN ILE 90 82.654 6.294 -12.282 742 HA ILE 90 HA ILE 90 79.768 6.565 -12.158 743 HB ILE 90 HB ILE 90 80.179 7.417 -9.879 744 1HG1 ILE 90 HG12 ILE 90 83.039 7.477 -10.869 745 2HG1 ILE 90 HG11 ILE 90 82.104 8.803 -10.177 746 1HG2 ILE 90 HG21 ILE 90 82.203 5.249 -10.099 747 2HG2 ILE 90 HG22 ILE 90 80.604 4.898 -10.756 748 3HG2 ILE 90 HG23 ILE 90 80.780 5.359 -9.063 749 1HD1 ILE 90 HD11 ILE 90 81.932 7.250 -8.080 750 2HD1 ILE 90 HD12 ILE 90 83.430 8.137 -8.365 751 3HD1 ILE 90 HD13 ILE 90 83.321 6.429 -8.791 752 H ASP 91 HN ASP 91 82.490 8.849 -12.354 753 HA ASP 91 HA ASP 91 80.960 11.239 -12.081 754 1HB ASP 91 HB2 ASP 91 83.559 10.654 -13.520 755 2HB ASP 91 HB1 ASP 91 82.886 12.279 -13.390 756 H LYS 92 HN LYS 92 81.826 9.331 -14.963 757 HA LYS 92 HA LYS 92 80.609 11.095 -16.867 758 1HB LYS 92 HB2 LYS 92 81.270 8.148 -16.900 759 2HB LYS 92 HB1 LYS 92 80.493 8.938 -18.272 760 1HG LYS 92 HG2 LYS 92 82.352 10.556 -18.399 761 2HG LYS 92 HG1 LYS 92 83.133 9.764 -17.030 762 1HD LYS 92 HD2 LYS 92 83.230 7.651 -18.331 763 2HD LYS 92 HD1 LYS 92 82.517 8.489 -19.710 764 1HE LYS 92 HE2 LYS 92 85.082 9.378 -18.369 765 2HE LYS 92 HE1 LYS 92 85.040 8.319 -19.778 766 1HZ LYS 92 HZ1 LYS 92 83.705 10.962 -19.710 767 2HZ LYS 92 HZ2 LYS 92 84.016 9.985 -21.065 768 3HZ LYS 92 HZ3 LYS 92 85.297 10.752 -20.254 769 H LYS 93 HN LYS 93 79.358 8.273 -15.086 770 HA LYS 93 HA LYS 93 76.708 8.524 -16.292 771 1HB LYS 93 HB2 LYS 93 77.594 6.338 -15.506 772 2HB LYS 93 HB1 LYS 93 77.590 6.951 -13.852 773 1HG LYS 93 HG2 LYS 93 75.177 7.257 -13.920 774 2HG LYS 93 HG1 LYS 93 75.134 6.796 -15.623 775 1HD LYS 93 HD2 LYS 93 75.942 4.550 -15.061 776 2HD LYS 93 HD1 LYS 93 76.057 5.001 -13.359 777 1HE LYS 93 HE2 LYS 93 73.647 5.370 -13.251 778 2HE LYS 93 HE1 LYS 93 73.494 5.047 -14.979 779 1HZ LYS 93 HZ1 LYS 93 74.844 2.887 -13.963 780 2HZ LYS 93 HZ2 LYS 93 73.210 2.932 -14.429 781 3HZ LYS 93 HZ3 LYS 93 73.642 3.209 -12.810 782 H GLU 94 HN GLU 94 75.069 9.797 -15.549 783 HA GLU 94 HA GLU 94 75.563 11.426 -13.132 784 1HB GLU 94 HB2 GLU 94 73.378 11.506 -15.234 785 2HB GLU 94 HB1 GLU 94 73.481 12.618 -13.868 786 1HG GLU 94 HG2 GLU 94 75.647 13.427 -14.629 787 2HG GLU 94 HG1 GLU 94 75.672 12.234 -15.928 788 H VAL 95 HN VAL 95 74.908 10.578 -11.217 789 HA VAL 95 HA VAL 95 72.214 9.325 -11.092 790 HB VAL 95 HB VAL 95 73.879 7.488 -11.273 791 1HG1 VAL 95 HG11 VAL 95 75.434 9.183 -9.687 792 2HG1 VAL 95 HG12 VAL 95 75.824 7.519 -10.125 793 3HG1 VAL 95 HG13 VAL 95 74.997 7.860 -8.606 794 1HG2 VAL 95 HG21 VAL 95 72.958 7.528 -8.412 795 2HG2 VAL 95 HG22 VAL 95 72.920 6.201 -9.574 796 3HG2 VAL 95 HG23 VAL 95 71.762 7.525 -9.707 797 H ASN 96 HN ASN 96 71.227 9.527 -9.005 798 HA ASN 96 HA ASN 96 72.701 11.314 -7.110 799 1HB ASN 96 HB2 ASN 96 70.810 12.407 -8.449 800 2HB ASN 96 HB1 ASN 96 69.708 11.374 -7.537 801 1HD2 ASN 96 HD21 ASN 96 72.032 14.050 -7.225 802 2HD2 ASN 96 HD22 ASN 96 71.536 14.525 -5.673 803 HA PRO 97 HA PRO 97 71.672 7.316 -4.996 804 1HB PRO 97 HB2 PRO 97 73.842 8.421 -3.277 805 2HB PRO 97 HB1 PRO 97 73.642 6.784 -3.934 806 1HG PRO 97 HG2 PRO 97 75.443 8.445 -4.943 807 2HG PRO 97 HG1 PRO 97 74.515 7.355 -5.986 808 1HD PRO 97 HD2 PRO 97 74.171 10.301 -5.591 809 2HD PRO 97 HD1 PRO 97 73.962 9.321 -7.057 810 H GLN 98 HN GLN 98 72.312 10.502 -3.515 811 HA GLN 98 HA GLN 98 69.851 10.209 -1.915 812 1HB GLN 98 HB2 GLN 98 72.609 10.486 -0.693 813 2HB GLN 98 HB1 GLN 98 71.128 10.870 0.184 814 1HG GLN 98 HG2 GLN 98 70.303 8.552 -0.307 815 2HG GLN 98 HG1 GLN 98 71.879 8.188 -1.011 816 1HE2 GLN 98 HE21 GLN 98 71.635 6.533 0.960 817 2HE2 GLN 98 HE22 GLN 98 72.313 7.058 2.426 818 H VAL 99 HN VAL 99 72.626 12.348 -1.350 819 HA VAL 99 HA VAL 99 70.977 14.605 -2.417 820 HB VAL 99 HB VAL 99 72.778 14.590 0.024 821 1HG1 VAL 99 HG11 VAL 99 71.327 16.792 -1.450 822 2HG1 VAL 99 HG12 VAL 99 73.020 16.736 -0.960 823 3HG1 VAL 99 HG13 VAL 99 71.757 16.947 0.253 824 1HG2 VAL 99 HG21 VAL 99 69.777 14.893 -0.322 825 2HG2 VAL 99 HG22 VAL 99 70.638 15.129 1.200 826 3HG2 VAL 99 HG23 VAL 99 70.610 13.538 0.439 827 H MET 100 HN MET 100 72.033 14.945 -4.358 828 HA MET 100 HA MET 100 73.806 15.396 -5.841 829 1HB MET 100 HB2 MET 100 74.624 16.871 -3.325 830 2HB MET 100 HB1 MET 100 75.488 17.032 -4.855 831 1HG MET 100 HG2 MET 100 73.442 17.802 -5.961 832 2HG MET 100 HG1 MET 100 72.531 17.583 -4.467 833 1HE MET 100 HE1 MET 100 76.325 19.214 -4.775 834 2HE MET 100 HE2 MET 100 75.684 20.649 -5.571 835 3HE MET 100 HE3 MET 100 75.367 19.055 -6.253 Start of MODEL 5 1 1H MET 1 HT1 MET 1 73.750 -6.627 -2.558 2 2H MET 1 HT2 MET 1 73.520 -8.263 -2.956 3 3H MET 1 HT3 MET 1 74.542 -7.833 -1.668 4 HA MET 1 HA MET 1 72.875 -7.789 -0.229 5 1HB MET 1 HB2 MET 1 72.353 -5.521 -1.083 6 2HB MET 1 HB1 MET 1 71.325 -6.236 -2.326 7 1HG MET 1 HG2 MET 1 69.851 -7.177 -0.636 8 2HG MET 1 HG1 MET 1 70.923 -6.631 0.653 9 1HE MET 1 HE1 MET 1 69.863 -4.429 -2.671 10 2HE MET 1 HE2 MET 1 68.207 -4.249 -2.097 11 3HE MET 1 HE3 MET 1 68.891 -5.860 -2.303 12 H GLY 2 HN GLY 2 71.097 -9.147 0.275 13 1HA GLY 2 HA2 GLY 2 69.333 -10.680 -0.187 14 2HA GLY 2 HA1 GLY 2 69.600 -10.427 -1.912 15 H GLN 3 HN GLN 3 72.528 -10.973 -0.340 16 HA GLN 3 HA GLN 3 72.650 -13.699 -1.481 17 1HB GLN 3 HB2 GLN 3 74.757 -11.877 -0.286 18 2HB GLN 3 HB1 GLN 3 75.092 -13.506 -0.871 19 1HG GLN 3 HG2 GLN 3 74.348 -12.905 -3.111 20 2HG GLN 3 HG1 GLN 3 73.861 -11.305 -2.553 21 1HE2 GLN 3 HE21 GLN 3 75.580 -10.920 -4.478 22 2HE2 GLN 3 HE22 GLN 3 77.177 -10.681 -3.954 23 H GLU 4 HN GLU 4 73.502 -15.490 -0.163 24 HA GLU 4 HA GLU 4 72.150 -15.880 2.270 25 1HB GLU 4 HB2 GLU 4 74.752 -17.124 1.329 26 2HB GLU 4 HB1 GLU 4 73.777 -17.730 2.669 27 1HG GLU 4 HG2 GLU 4 71.879 -18.090 1.160 28 2HG GLU 4 HG1 GLU 4 72.802 -17.422 -0.186 29 H LEU 5 HN LEU 5 72.538 -15.232 4.349 30 HA LEU 5 HA LEU 5 74.888 -13.499 4.818 31 1HB LEU 5 HB2 LEU 5 72.423 -14.100 6.474 32 2HB LEU 5 HB1 LEU 5 73.726 -13.039 7.008 33 HG LEU 5 HG LEU 5 72.180 -12.652 4.431 34 1HD1 LEU 5 HD11 LEU 5 70.720 -12.360 6.403 35 2HD1 LEU 5 HD12 LEU 5 71.042 -10.813 5.618 36 3HD1 LEU 5 HD13 LEU 5 71.891 -11.242 7.102 37 1HD2 LEU 5 HD21 LEU 5 74.516 -11.388 5.711 38 2HD2 LEU 5 HD22 LEU 5 73.273 -10.245 5.200 39 3HD2 LEU 5 HD23 LEU 5 73.997 -11.344 4.025 40 H SER 6 HN SER 6 76.677 -14.769 5.222 41 HA SER 6 HA SER 6 76.462 -17.188 6.868 42 1HB SER 6 HB2 SER 6 78.681 -17.611 6.263 43 2HB SER 6 HB1 SER 6 78.097 -16.698 4.874 44 HG SER 6 HG SER 6 79.543 -15.707 7.112 45 H GLN 7 HN GLN 7 78.272 -17.341 8.676 46 HA GLN 7 HA GLN 7 77.543 -15.643 10.802 47 1HB GLN 7 HB2 GLN 7 78.730 -17.806 11.092 48 2HB GLN 7 HB1 GLN 7 80.195 -17.073 10.437 49 1HG GLN 7 HG2 GLN 7 80.260 -15.464 12.268 50 2HG GLN 7 HG1 GLN 7 78.727 -16.074 12.895 51 1HE2 GLN 7 HE21 GLN 7 81.106 -16.118 14.495 52 2HE2 GLN 7 HE22 GLN 7 81.557 -17.736 14.738 53 H HIS 8 HN HIS 8 80.359 -15.405 8.619 54 HA HIS 8 HA HIS 8 81.423 -13.022 9.819 55 1HB HIS 8 HB2 HIS 8 82.748 -14.467 8.313 56 2HB HIS 8 HB1 HIS 8 81.696 -14.027 6.969 57 HD2 HIS 8 HD2 HIS 8 82.149 -11.444 5.896 58 HE1 HIS 8 HE1 HIS 8 85.386 -10.455 8.422 59 HE2 HIS 8 HE2 HIS 8 84.065 -9.740 6.378 60 H GLU 9 HN GLU 9 79.214 -13.545 7.068 61 HA GLU 9 HA GLU 9 78.977 -10.817 6.292 62 1HB GLU 9 HB2 GLU 9 76.919 -13.042 6.139 63 2HB GLU 9 HB1 GLU 9 76.823 -11.511 5.268 64 1HG GLU 9 HG2 GLU 9 79.144 -13.441 5.012 65 2HG GLU 9 HG1 GLU 9 77.771 -13.413 3.906 66 H ARG 10 HN ARG 10 77.231 -12.716 8.731 67 HA ARG 10 HA ARG 10 75.297 -10.722 9.404 68 1HB ARG 10 HB2 ARG 10 76.528 -12.965 11.025 69 2HB ARG 10 HB1 ARG 10 75.207 -11.957 11.618 70 1HG ARG 10 HG2 ARG 10 73.782 -12.649 9.773 71 2HG ARG 10 HG1 ARG 10 75.111 -13.548 9.039 72 1HD ARG 10 HD2 ARG 10 73.707 -15.126 10.225 73 2HD ARG 10 HD1 ARG 10 75.215 -14.957 11.122 74 HE ARG 10 HE ARG 10 73.277 -13.085 12.118 75 1HH1 ARG 10 HH21 ARG 10 74.112 -16.428 11.999 76 2HH1 ARG 10 HH22 ARG 10 73.361 -16.807 13.513 77 1HH2 ARG 10 HH11 ARG 10 72.291 -13.560 14.096 78 2HH2 ARG 10 HH12 ARG 10 72.329 -15.183 14.700 79 H TYR 11 HN TYR 11 78.599 -11.313 10.567 80 HA TYR 11 HA TYR 11 78.587 -9.390 12.677 81 1HB TYR 11 HB2 TYR 11 80.386 -11.071 12.358 82 2HB TYR 11 HB1 TYR 11 80.905 -10.218 10.903 83 HD1 TYR 11 HD1 TYR 11 82.317 -8.320 11.036 84 HD2 TYR 11 HD2 TYR 11 80.398 -9.813 14.578 85 HE1 TYR 11 HE1 TYR 11 83.675 -6.777 12.423 86 HE2 TYR 11 HE2 TYR 11 81.756 -8.269 15.965 87 HH TYR 11 HH TYR 11 84.119 -7.094 15.626 88 H VAL 12 HN VAL 12 79.144 -9.075 9.194 89 HA VAL 12 HA VAL 12 80.116 -6.390 9.214 90 HB VAL 12 HB VAL 12 78.433 -7.758 7.092 91 1HG1 VAL 12 HG11 VAL 12 78.526 -5.419 6.620 92 2HG1 VAL 12 HG12 VAL 12 79.778 -6.153 5.616 93 3HG1 VAL 12 HG13 VAL 12 80.219 -5.316 7.105 94 1HG2 VAL 12 HG21 VAL 12 80.276 -9.169 7.270 95 2HG2 VAL 12 HG22 VAL 12 81.337 -7.879 7.838 96 3HG2 VAL 12 HG23 VAL 12 80.897 -7.974 6.132 97 H GLU 13 HN GLU 13 76.806 -7.694 8.996 98 HA GLU 13 HA GLU 13 75.465 -5.206 8.687 99 1HB GLU 13 HB2 GLU 13 74.361 -7.414 8.417 100 2HB GLU 13 HB1 GLU 13 74.495 -7.678 10.156 101 1HG GLU 13 HG2 GLU 13 73.113 -5.700 10.591 102 2HG GLU 13 HG1 GLU 13 73.017 -5.368 8.861 103 H GLN 14 HN GLN 14 76.381 -6.991 11.645 104 HA GLN 14 HA GLN 14 75.272 -5.038 13.451 105 1HB GLN 14 HB2 GLN 14 75.901 -7.401 14.070 106 2HB GLN 14 HB1 GLN 14 77.596 -6.918 13.968 107 1HG GLN 14 HG2 GLN 14 77.300 -5.279 15.727 108 2HG GLN 14 HG1 GLN 14 75.559 -5.558 15.753 109 1HE2 GLN 14 HE21 GLN 14 77.126 -5.936 18.112 110 2HE2 GLN 14 HE22 GLN 14 77.151 -7.592 18.485 111 H LEU 15 HN LEU 15 78.455 -5.461 11.946 112 HA LEU 15 HA LEU 15 79.822 -3.435 13.416 113 1HB LEU 15 HB2 LEU 15 81.035 -5.015 11.993 114 2HB LEU 15 HB1 LEU 15 80.228 -4.379 10.559 115 HG LEU 15 HG LEU 15 81.257 -2.181 10.927 116 1HD1 LEU 15 HD11 LEU 15 81.566 -1.863 13.199 117 2HD1 LEU 15 HD12 LEU 15 83.203 -2.328 12.740 118 3HD1 LEU 15 HD13 LEU 15 82.119 -3.517 13.462 119 1HD2 LEU 15 HD21 LEU 15 82.464 -4.124 9.728 120 2HD2 LEU 15 HD22 LEU 15 83.442 -4.253 11.190 121 3HD2 LEU 15 HD23 LEU 15 83.458 -2.763 10.247 122 H LYS 16 HN LYS 16 77.857 -3.307 10.463 123 HA LYS 16 HA LYS 16 78.317 -0.556 9.848 124 1HB LYS 16 HB2 LYS 16 77.239 -2.178 8.293 125 2HB LYS 16 HB1 LYS 16 75.814 -2.190 9.332 126 1HG LYS 16 HG2 LYS 16 75.462 0.190 8.960 127 2HG LYS 16 HG1 LYS 16 76.958 0.297 8.031 128 1HD LYS 16 HD2 LYS 16 76.046 -1.238 6.346 129 2HD LYS 16 HD1 LYS 16 74.559 -1.398 7.281 130 1HE LYS 16 HE2 LYS 16 74.134 1.018 7.029 131 2HE LYS 16 HE1 LYS 16 75.623 1.184 6.098 132 1HZ LYS 16 HZ1 LYS 16 73.468 0.918 4.812 133 2HZ LYS 16 HZ2 LYS 16 73.495 -0.708 5.302 134 3HZ LYS 16 HZ3 LYS 16 74.761 -0.081 4.358 135 H GLN 17 HN GLN 17 75.888 -2.145 11.909 136 HA GLN 17 HA GLN 17 74.331 0.146 12.512 137 1HB GLN 17 HB2 GLN 17 75.008 -2.266 14.222 138 2HB GLN 17 HB1 GLN 17 73.784 -1.069 14.648 139 1HG GLN 17 HG2 GLN 17 72.568 -1.553 12.563 140 2HG GLN 17 HG1 GLN 17 73.796 -2.736 12.115 141 1HE2 GLN 17 HE21 GLN 17 71.643 -4.123 12.179 142 2HE2 GLN 17 HE22 GLN 17 71.292 -4.866 13.664 143 H ALA 18 HN ALA 18 77.255 -1.126 14.107 144 HA ALA 18 HA ALA 18 77.410 0.877 16.137 145 1HB ALA 18 HB1 ALA 18 80.050 0.161 15.407 146 2HB ALA 18 HB2 ALA 18 79.057 -1.274 15.146 147 3HB ALA 18 HB3 ALA 18 79.090 -0.500 16.730 148 H LEU 19 HN LEU 19 78.715 0.754 12.829 149 HA LEU 19 HA LEU 19 80.170 3.214 12.978 150 1HB LEU 19 HB2 LEU 19 78.889 1.806 10.616 151 2HB LEU 19 HB1 LEU 19 79.977 3.188 10.473 152 HG LEU 19 HG LEU 19 80.694 0.582 11.847 153 1HD1 LEU 19 HD11 LEU 19 81.104 1.598 9.042 154 2HD1 LEU 19 HD12 LEU 19 80.592 -0.003 9.576 155 3HD1 LEU 19 HD13 LEU 19 82.274 0.494 9.766 156 1HD2 LEU 19 HD21 LEU 19 82.010 3.222 11.465 157 2HD2 LEU 19 HD22 LEU 19 83.030 1.803 11.230 158 3HD2 LEU 19 HD23 LEU 19 82.201 2.049 12.767 159 H LYS 20 HN LYS 20 76.801 2.471 12.157 160 HA LYS 20 HA LYS 20 76.029 5.043 11.234 161 1HB LYS 20 HB2 LYS 20 74.617 2.966 11.131 162 2HB LYS 20 HB1 LYS 20 74.336 3.127 12.865 163 1HG LYS 20 HG2 LYS 20 73.318 5.328 12.528 164 2HG LYS 20 HG1 LYS 20 73.658 5.242 10.800 165 1HD LYS 20 HD2 LYS 20 72.211 3.258 10.602 166 2HD LYS 20 HD1 LYS 20 71.877 3.325 12.333 167 1HE LYS 20 HE2 LYS 20 70.049 4.382 11.084 168 2HE LYS 20 HE1 LYS 20 70.906 5.590 12.043 169 1HZ LYS 20 HZ1 LYS 20 70.706 6.557 9.957 170 2HZ LYS 20 HZ2 LYS 20 71.039 5.110 9.132 171 3HZ LYS 20 HZ3 LYS 20 72.284 5.936 9.942 172 H THR 21 HN THR 21 76.132 3.700 14.531 173 HA THR 21 HA THR 21 75.043 5.995 15.844 174 HB THR 21 HB THR 21 76.097 5.067 17.880 175 HG1 THR 21 HG1 THR 21 77.124 2.894 16.557 176 1HG2 THR 21 HG21 THR 21 75.305 2.514 17.109 177 2HG2 THR 21 HG22 THR 21 74.413 3.578 16.020 178 3HG2 THR 21 HG23 THR 21 74.254 3.770 17.766 179 H ARG 22 HN ARG 22 78.280 5.220 14.699 180 HA ARG 22 HA ARG 22 79.582 7.399 16.109 181 1HB ARG 22 HB2 ARG 22 80.403 5.736 13.711 182 2HB ARG 22 HB1 ARG 22 81.445 6.945 14.464 183 1HG ARG 22 HG2 ARG 22 81.340 5.749 16.598 184 2HG ARG 22 HG1 ARG 22 80.230 4.567 15.902 185 1HD ARG 22 HD2 ARG 22 81.952 3.882 14.284 186 2HD ARG 22 HD1 ARG 22 83.063 5.078 14.948 187 HE ARG 22 HE ARG 22 82.087 3.258 16.988 188 1HH1 ARG 22 HH21 ARG 22 84.307 3.717 14.388 189 2HH1 ARG 22 HH22 ARG 22 85.473 2.599 15.012 190 1HH2 ARG 22 HH11 ARG 22 83.597 1.795 17.815 191 2HH2 ARG 22 HH12 ARG 22 85.072 1.510 16.951 192 H GLY 23 HN GLY 23 77.587 7.191 13.330 193 1HA GLY 23 HA2 GLY 23 76.724 9.330 12.425 194 2HA GLY 23 HA1 GLY 23 78.349 9.993 12.615 195 H VAL 24 HN VAL 24 77.244 6.904 11.206 196 HA VAL 24 HA VAL 24 78.568 7.743 8.657 197 HB VAL 24 HB VAL 24 78.501 5.029 10.001 198 1HG1 VAL 24 HG11 VAL 24 78.852 5.815 7.164 199 2HG1 VAL 24 HG12 VAL 24 78.350 4.270 7.851 200 3HG1 VAL 24 HG13 VAL 24 80.060 4.696 7.797 201 1HG2 VAL 24 HG21 VAL 24 80.250 6.585 10.779 202 2HG2 VAL 24 HG22 VAL 24 80.762 6.851 9.113 203 3HG2 VAL 24 HG23 VAL 24 80.963 5.264 9.853 204 H LYS 25 HN LYS 25 77.317 7.540 6.831 205 HA LYS 25 HA LYS 25 74.795 5.958 7.054 206 1HB LYS 25 HB2 LYS 25 75.108 8.786 6.005 207 2HB LYS 25 HB1 LYS 25 73.668 7.799 5.745 208 1HG LYS 25 HG2 LYS 25 73.358 7.587 8.177 209 2HG LYS 25 HG1 LYS 25 74.812 8.547 8.453 210 1HD LYS 25 HD2 LYS 25 73.788 10.466 7.317 211 2HD LYS 25 HD1 LYS 25 72.343 9.512 6.979 212 1HE LYS 25 HE2 LYS 25 71.930 10.882 8.946 213 2HE LYS 25 HE1 LYS 25 72.038 9.193 9.443 214 1HZ LYS 25 HZ1 LYS 25 73.522 11.296 10.411 215 2HZ LYS 25 HZ2 LYS 25 74.598 10.419 9.433 216 3HZ LYS 25 HZ3 LYS 25 73.782 9.648 10.708 217 H VAL 26 HN VAL 26 75.684 4.316 5.730 218 HA VAL 26 HA VAL 26 76.026 5.120 2.876 219 HB VAL 26 HB VAL 26 77.835 3.431 2.667 220 1HG1 VAL 26 HG11 VAL 26 79.010 4.948 4.842 221 2HG1 VAL 26 HG12 VAL 26 77.969 5.977 3.857 222 3HG1 VAL 26 HG13 VAL 26 79.296 5.090 3.108 223 1HG2 VAL 26 HG21 VAL 26 77.225 1.945 4.491 224 2HG2 VAL 26 HG22 VAL 26 77.453 3.238 5.670 225 3HG2 VAL 26 HG23 VAL 26 78.842 2.577 4.807 226 H LYS 27 HN LYS 27 75.603 3.289 1.379 227 HA LYS 27 HA LYS 27 73.263 1.794 2.222 228 1HB LYS 27 HB2 LYS 27 74.924 1.613 -0.311 229 2HB LYS 27 HB1 LYS 27 73.358 0.837 -0.070 230 1HG LYS 27 HG2 LYS 27 72.300 3.025 0.269 231 2HG LYS 27 HG1 LYS 27 73.863 3.824 0.093 232 1HD LYS 27 HD2 LYS 27 74.049 2.915 -2.209 233 2HD LYS 27 HD1 LYS 27 72.458 2.177 -2.031 234 1HE LYS 27 HE2 LYS 27 71.478 4.421 -1.633 235 2HE LYS 27 HE1 LYS 27 73.069 5.143 -1.876 236 1HZ LYS 27 HZ1 LYS 27 72.222 3.343 -3.971 237 2HZ LYS 27 HZ2 LYS 27 72.946 4.878 -4.080 238 3HZ LYS 27 HZ3 LYS 27 71.272 4.740 -3.824 239 H TYR 28 HN TYR 28 73.112 -0.430 2.636 240 HA TYR 28 HA TYR 28 75.388 -1.718 3.781 241 1HB TYR 28 HB2 TYR 28 73.090 -2.339 4.394 242 2HB TYR 28 HB1 TYR 28 72.799 -2.928 2.758 243 HD1 TYR 28 HD1 TYR 28 73.312 -5.149 2.187 244 HD2 TYR 28 HD2 TYR 28 75.059 -3.406 5.703 245 HE1 TYR 28 HE1 TYR 28 74.261 -7.355 2.809 246 HE2 TYR 28 HE2 TYR 28 76.009 -5.611 6.324 247 HH TYR 28 HH TYR 28 76.651 -7.856 4.705 248 H ALA 29 HN ALA 29 73.913 -1.935 0.563 249 HA ALA 29 HA ALA 29 75.385 -4.127 -0.451 250 1HB ALA 29 HB1 ALA 29 73.540 -2.418 -1.500 251 2HB ALA 29 HB2 ALA 29 74.497 -3.538 -2.470 252 3HB ALA 29 HB3 ALA 29 75.001 -1.855 -2.311 253 H ASP 30 HN ASP 30 76.315 -0.750 -0.013 254 HA ASP 30 HA ASP 30 78.712 -0.797 -1.558 255 1HB ASP 30 HB2 ASP 30 77.983 0.787 0.923 256 2HB ASP 30 HB1 ASP 30 79.428 1.085 -0.045 257 H LEU 31 HN LEU 31 78.048 -1.743 1.797 258 HA LEU 31 HA LEU 31 80.749 -2.209 2.587 259 1HB LEU 31 HB2 LEU 31 78.080 -3.261 3.485 260 2HB LEU 31 HB1 LEU 31 79.559 -3.978 4.125 261 HG LEU 31 HG LEU 31 78.649 -2.079 5.515 262 1HD1 LEU 31 HD11 LEU 31 81.272 -2.708 4.813 263 2HD1 LEU 31 HD12 LEU 31 80.778 -1.708 6.179 264 3HD1 LEU 31 HD13 LEU 31 81.199 -0.954 4.642 265 1HD2 LEU 31 HD21 LEU 31 78.695 0.147 4.689 266 2HD2 LEU 31 HD22 LEU 31 77.970 -0.790 3.382 267 3HD2 LEU 31 HD23 LEU 31 79.663 -0.308 3.287 268 H LEU 32 HN LEU 32 78.345 -4.371 1.080 269 HA LEU 32 HA LEU 32 80.011 -6.694 1.033 270 1HB LEU 32 HB2 LEU 32 77.759 -5.860 -0.821 271 2HB LEU 32 HB1 LEU 32 78.473 -7.473 -0.774 272 HG LEU 32 HG LEU 32 77.185 -6.100 1.603 273 1HD1 LEU 32 HD11 LEU 32 75.768 -8.423 0.825 274 2HD1 LEU 32 HD12 LEU 32 76.029 -7.487 -0.648 275 3HD1 LEU 32 HD13 LEU 32 75.214 -6.751 0.733 276 1HD2 LEU 32 HD21 LEU 32 78.691 -8.618 1.168 277 2HD2 LEU 32 HD22 LEU 32 77.220 -8.769 2.129 278 3HD2 LEU 32 HD23 LEU 32 78.497 -7.663 2.638 279 H LYS 33 HN LYS 33 79.501 -4.101 -1.363 280 HA LYS 33 HA LYS 33 81.218 -5.182 -3.372 281 1HB LYS 33 HB2 LYS 33 80.505 -2.308 -2.718 282 2HB LYS 33 HB1 LYS 33 81.371 -2.805 -4.173 283 1HG LYS 33 HG2 LYS 33 79.487 -4.211 -4.852 284 2HG LYS 33 HG1 LYS 33 78.624 -3.807 -3.366 285 1HD LYS 33 HD2 LYS 33 78.589 -1.432 -4.022 286 2HD LYS 33 HD1 LYS 33 79.463 -1.825 -5.504 287 1HE LYS 33 HE2 LYS 33 77.607 -3.302 -6.202 288 2HE LYS 33 HE1 LYS 33 76.728 -2.886 -4.730 289 1HZ LYS 33 HZ1 LYS 33 77.431 -0.479 -5.813 290 2HZ LYS 33 HZ2 LYS 33 75.894 -1.200 -5.883 291 3HZ LYS 33 HZ3 LYS 33 76.993 -1.411 -7.161 292 H PHE 34 HN PHE 34 81.871 -3.141 -0.547 293 HA PHE 34 HA PHE 34 84.553 -2.445 -1.104 294 1HB PHE 34 HB2 PHE 34 83.401 -1.493 0.809 295 2HB PHE 34 HB1 PHE 34 83.222 -3.086 1.545 296 HD1 PHE 34 HD1 PHE 34 85.957 -0.957 0.087 297 HD2 PHE 34 HD2 PHE 34 84.743 -3.641 3.214 298 HE1 PHE 34 HE1 PHE 34 88.177 -0.709 1.163 299 HE2 PHE 34 HE2 PHE 34 86.963 -3.391 4.290 300 HZ PHE 34 HZ PHE 34 88.681 -1.926 3.265 301 H PHE 35 HN PHE 35 83.292 -5.344 0.571 302 HA PHE 35 HA PHE 35 85.826 -6.558 1.043 303 1HB PHE 35 HB2 PHE 35 83.031 -7.652 0.729 304 2HB PHE 35 HB1 PHE 35 84.406 -8.728 0.979 305 HD1 PHE 35 HD1 PHE 35 82.037 -6.530 2.553 306 HD2 PHE 35 HD2 PHE 35 85.936 -8.277 2.998 307 HE1 PHE 35 HE1 PHE 35 81.976 -6.048 4.985 308 HE2 PHE 35 HE2 PHE 35 85.875 -7.793 5.429 309 HZ PHE 35 HZ PHE 35 83.895 -6.678 6.423 310 H ASP 36 HN ASP 36 83.604 -6.770 -1.731 311 HA ASP 36 HA ASP 36 85.117 -8.737 -3.168 312 1HB ASP 36 HB2 ASP 36 83.037 -6.702 -3.912 313 2HB ASP 36 HB1 ASP 36 83.911 -7.549 -5.189 314 H PHE 37 HN PHE 37 85.199 -5.184 -3.147 315 HA PHE 37 HA PHE 37 87.105 -4.861 -5.245 316 1HB PHE 37 HB2 PHE 37 85.777 -3.001 -4.242 317 2HB PHE 37 HB1 PHE 37 86.753 -3.128 -2.779 318 HD1 PHE 37 HD1 PHE 37 86.944 -2.494 -6.450 319 HD2 PHE 37 HD2 PHE 37 88.886 -2.105 -2.638 320 HE1 PHE 37 HE1 PHE 37 88.681 -1.055 -7.481 321 HE2 PHE 37 HE2 PHE 37 90.622 -0.666 -3.669 322 HZ PHE 37 HZ PHE 37 90.520 -0.140 -6.091 323 H VAL 38 HN VAL 38 87.528 -5.311 -1.737 324 HA VAL 38 HA VAL 38 90.362 -5.008 -1.695 325 HB VAL 38 HB VAL 38 88.515 -6.647 0.063 326 1HG1 VAL 38 HG11 VAL 38 90.696 -6.149 1.595 327 2HG1 VAL 38 HG12 VAL 38 91.466 -6.328 0.019 328 3HG1 VAL 38 HG13 VAL 38 90.485 -7.638 0.675 329 1HG2 VAL 38 HG21 VAL 38 88.848 -3.892 -0.209 330 2HG2 VAL 38 HG22 VAL 38 89.854 -4.301 1.181 331 3HG2 VAL 38 HG23 VAL 38 88.138 -4.715 1.180 332 H LYS 39 HN LYS 39 88.344 -7.936 -2.075 333 HA LYS 39 HA LYS 39 90.537 -9.759 -2.339 334 1HB LYS 39 HB2 LYS 39 87.707 -9.889 -3.422 335 2HB LYS 39 HB1 LYS 39 88.843 -11.236 -3.460 336 1HG LYS 39 HG2 LYS 39 89.016 -11.201 -1.019 337 2HG LYS 39 HG1 LYS 39 87.948 -9.798 -0.945 338 1HD LYS 39 HD2 LYS 39 86.135 -11.124 -1.973 339 2HD LYS 39 HD1 LYS 39 87.199 -12.529 -2.033 340 1HE LYS 39 HE2 LYS 39 87.363 -12.581 0.385 341 2HE LYS 39 HE1 LYS 39 86.469 -11.067 0.520 342 1HZ LYS 39 HZ1 LYS 39 84.517 -12.085 0.159 343 2HZ LYS 39 HZ2 LYS 39 85.343 -13.477 0.677 344 3HZ LYS 39 HZ3 LYS 39 85.153 -13.168 -0.981 345 H ASP 40 HN ASP 40 88.891 -7.651 -4.628 346 HA ASP 40 HA ASP 40 90.078 -8.797 -7.000 347 1HB ASP 40 HB2 ASP 40 88.843 -6.094 -6.418 348 2HB ASP 40 HB1 ASP 40 89.434 -6.555 -8.015 349 H THR 41 HN THR 41 91.266 -6.725 -4.511 350 HA THR 41 HA THR 41 93.135 -5.129 -5.896 351 HB THR 41 HB THR 41 93.635 -6.438 -3.209 352 HG1 THR 41 HG1 THR 41 92.372 -3.957 -3.614 353 1HG2 THR 41 HG21 THR 41 95.560 -5.246 -3.992 354 2HG2 THR 41 HG22 THR 41 94.762 -4.194 -2.822 355 3HG2 THR 41 HG23 THR 41 94.574 -3.895 -4.551 356 H CYS 42 HN CYS 42 93.653 -8.375 -4.469 357 HA CYS 42 HA CYS 42 96.077 -8.606 -6.206 358 1HB CYS 42 HB2 CYS 42 95.580 -9.236 -3.404 359 2HB CYS 42 HB1 CYS 42 96.199 -10.632 -4.286 360 HG CYS 42 HG CYS 42 97.972 -8.552 -3.361 361 HA PRO 43 HA PRO 43 93.947 -13.100 -6.019 362 1HB PRO 43 HB2 PRO 43 91.217 -11.980 -5.513 363 2HB PRO 43 HB1 PRO 43 91.915 -13.526 -4.993 364 1HG PRO 43 HG2 PRO 43 91.656 -11.402 -3.349 365 2HG PRO 43 HG1 PRO 43 92.944 -12.606 -3.184 366 1HD PRO 43 HD2 PRO 43 93.198 -9.774 -4.014 367 2HD PRO 43 HD1 PRO 43 94.416 -10.953 -3.484 368 H TRP 44 HN TRP 44 92.147 -10.216 -7.116 369 HA TRP 44 HA TRP 44 92.314 -11.254 -9.889 370 1HB TRP 44 HB2 TRP 44 89.709 -10.354 -8.616 371 2HB TRP 44 HB1 TRP 44 89.927 -10.841 -10.298 372 HD1 TRP 44 HD1 TRP 44 91.111 -13.441 -10.502 373 HE1 TRP 44 HE1 TRP 44 90.368 -15.555 -9.225 374 HE3 TRP 44 HE3 TRP 44 88.596 -11.286 -6.615 375 HZ2 TRP 44 HZ2 TRP 44 88.901 -16.241 -6.865 376 HZ3 TRP 44 HZ3 TRP 44 87.536 -12.690 -4.869 377 HH2 TRP 44 HH2 TRP 44 87.685 -15.162 -4.989 378 H PHE 45 HN PHE 45 90.288 -9.110 -10.603 379 HA PHE 45 HA PHE 45 91.054 -6.547 -9.747 380 1HB PHE 45 HB2 PHE 45 93.100 -7.828 -11.314 381 2HB PHE 45 HB1 PHE 45 92.461 -6.447 -12.207 382 HD1 PHE 45 HD1 PHE 45 94.945 -7.344 -9.990 383 HD2 PHE 45 HD2 PHE 45 91.889 -4.365 -10.479 384 HE1 PHE 45 HE1 PHE 45 96.211 -5.803 -8.515 385 HE2 PHE 45 HE2 PHE 45 93.155 -2.824 -9.004 386 HZ PHE 45 HZ PHE 45 95.316 -3.543 -8.023 387 HA PRO 46 HA PRO 46 89.247 -6.479 -14.334 388 1HB PRO 46 HB2 PRO 46 88.179 -9.253 -14.368 389 2HB PRO 46 HB1 PRO 46 88.956 -8.327 -15.664 390 1HG PRO 46 HG2 PRO 46 90.214 -10.315 -14.400 391 2HG PRO 46 HG1 PRO 46 91.069 -8.874 -14.976 392 1HD PRO 46 HD2 PRO 46 90.279 -9.616 -12.185 393 2HD PRO 46 HD1 PRO 46 91.705 -8.709 -12.735 394 H GLN 47 HN GLN 47 87.791 -8.444 -11.758 395 HA GLN 47 HA GLN 47 85.060 -7.845 -12.379 396 1HB GLN 47 HB2 GLN 47 86.311 -8.472 -9.687 397 2HB GLN 47 HB1 GLN 47 84.592 -8.565 -10.070 398 1HG GLN 47 HG2 GLN 47 86.754 -10.164 -11.471 399 2HG GLN 47 HG1 GLN 47 85.717 -10.790 -10.188 400 1HE2 GLN 47 HE21 GLN 47 85.985 -10.853 -13.469 401 2HE2 GLN 47 HE22 GLN 47 84.346 -10.972 -13.899 402 H GLU 48 HN GLU 48 83.937 -5.975 -12.102 403 HA GLU 48 HA GLU 48 84.874 -4.024 -10.065 404 1HB GLU 48 HB2 GLU 48 84.457 -3.434 -13.007 405 2HB GLU 48 HB1 GLU 48 84.555 -2.181 -11.769 406 1HG GLU 48 HG2 GLU 48 86.796 -2.943 -11.137 407 2HG GLU 48 HG1 GLU 48 86.700 -4.257 -12.309 408 H GLY 49 HN GLY 49 83.184 -2.219 -9.829 409 1HA GLY 49 HA2 GLY 49 80.487 -2.770 -10.772 410 2HA GLY 49 HA1 GLY 49 80.707 -3.200 -9.076 411 H THR 50 HN THR 50 78.916 -1.175 -9.765 412 HA THR 50 HA THR 50 80.055 1.455 -9.702 413 HB THR 50 HB THR 50 77.344 0.389 -8.875 414 HG1 THR 50 HG1 THR 50 76.766 1.084 -10.832 415 1HG2 THR 50 HG21 THR 50 78.500 3.160 -8.730 416 2HG2 THR 50 HG22 THR 50 77.477 2.321 -7.563 417 3HG2 THR 50 HG23 THR 50 76.783 2.936 -9.063 418 H ILE 51 HN ILE 51 80.604 2.771 -7.957 419 HA ILE 51 HA ILE 51 80.343 1.561 -5.236 420 HB ILE 51 HB ILE 51 82.718 1.665 -6.530 421 1HG1 ILE 51 HG12 ILE 51 82.351 0.605 -4.362 422 2HG1 ILE 51 HG11 ILE 51 83.754 1.668 -4.250 423 1HG2 ILE 51 HG21 ILE 51 83.968 3.624 -5.827 424 2HG2 ILE 51 HG22 ILE 51 82.576 4.241 -4.938 425 3HG2 ILE 51 HG23 ILE 51 82.532 4.163 -6.699 426 1HD1 ILE 51 HD11 ILE 51 80.999 2.044 -3.114 427 2HD1 ILE 51 HD12 ILE 51 81.978 3.459 -3.503 428 3HD1 ILE 51 HD13 ILE 51 82.566 2.274 -2.336 429 H ASP 52 HN ASP 52 79.612 2.981 -3.694 430 HA ASP 52 HA ASP 52 78.574 5.542 -4.517 431 1HB ASP 52 HB2 ASP 52 78.867 4.148 -1.859 432 2HB ASP 52 HB1 ASP 52 78.280 5.809 -1.954 433 H ILE 53 HN ILE 53 79.454 7.587 -4.265 434 HA ILE 53 HA ILE 53 82.304 7.820 -3.910 435 HB ILE 53 HB ILE 53 80.190 9.994 -3.815 436 1HG1 ILE 53 HG12 ILE 53 81.848 8.996 -6.153 437 2HG1 ILE 53 HG11 ILE 53 80.154 8.581 -5.888 438 1HG2 ILE 53 HG21 ILE 53 81.933 11.356 -3.395 439 2HG2 ILE 53 HG22 ILE 53 82.625 10.880 -4.947 440 3HG2 ILE 53 HG23 ILE 53 83.057 9.999 -3.481 441 1HD1 ILE 53 HD11 ILE 53 80.211 10.442 -7.424 442 2HD1 ILE 53 HD12 ILE 53 81.304 11.342 -6.372 443 3HD1 ILE 53 HD13 ILE 53 79.638 11.053 -5.872 444 H LYS 54 HN LYS 54 79.589 7.976 -1.727 445 HA LYS 54 HA LYS 54 80.839 9.460 0.385 446 1HB LYS 54 HB2 LYS 54 78.626 7.393 0.370 447 2HB LYS 54 HB1 LYS 54 79.144 8.221 1.839 448 1HG LYS 54 HG2 LYS 54 78.674 10.402 0.769 449 2HG LYS 54 HG1 LYS 54 78.127 9.563 -0.684 450 1HD LYS 54 HD2 LYS 54 76.329 8.486 0.559 451 2HD LYS 54 HD1 LYS 54 76.910 9.193 2.067 452 1HE LYS 54 HE2 LYS 54 76.009 10.821 -0.325 453 2HE LYS 54 HE1 LYS 54 74.979 10.444 1.057 454 1HZ LYS 54 HZ1 LYS 54 76.818 12.515 0.820 455 2HZ LYS 54 HZ2 LYS 54 77.451 11.436 1.970 456 3HZ LYS 54 HZ3 LYS 54 75.899 12.094 2.182 457 H PHE 55 HN PHE 55 80.776 5.996 -0.406 458 HA PHE 55 HA PHE 55 82.231 5.241 2.002 459 1HB PHE 55 HB2 PHE 55 80.655 3.797 0.467 460 2HB PHE 55 HB1 PHE 55 82.127 3.529 -0.467 461 HD1 PHE 55 HD1 PHE 55 80.623 3.201 2.923 462 HD2 PHE 55 HD2 PHE 55 83.842 2.073 0.312 463 HE1 PHE 55 HE1 PHE 55 81.366 1.504 4.573 464 HE2 PHE 55 HE2 PHE 55 84.585 0.377 1.960 465 HZ PHE 55 HZ PHE 55 83.348 0.092 4.091 466 H TRP 56 HN TRP 56 83.093 6.472 -1.106 467 HA TRP 56 HA TRP 56 85.646 5.342 -1.513 468 1HB TRP 56 HB2 TRP 56 84.732 6.781 -3.204 469 2HB TRP 56 HB1 TRP 56 84.604 8.129 -2.074 470 HD1 TRP 56 HD1 TRP 56 87.634 5.802 -2.595 471 HE1 TRP 56 HE1 TRP 56 89.662 7.252 -3.253 472 HE3 TRP 56 HE3 TRP 56 85.382 10.373 -2.921 473 HZ2 TRP 56 HZ2 TRP 56 90.251 9.989 -3.839 474 HZ3 TRP 56 HZ3 TRP 56 86.698 12.383 -3.532 475 HH2 TRP 56 HH2 TRP 56 89.128 12.197 -3.991 476 H ARG 57 HN ARG 57 84.671 8.019 0.611 477 HA ARG 57 HA ARG 57 87.305 8.806 1.392 478 1HB ARG 57 HB2 ARG 57 84.636 8.983 2.813 479 2HB ARG 57 HB1 ARG 57 86.119 9.682 3.466 480 1HG ARG 57 HG2 ARG 57 86.051 11.424 2.026 481 2HG ARG 57 HG1 ARG 57 85.688 10.377 0.654 482 1HD ARG 57 HD2 ARG 57 83.822 11.924 1.063 483 2HD ARG 57 HD1 ARG 57 83.323 10.262 1.381 484 HE ARG 57 HE ARG 57 83.089 10.821 3.669 485 1HH1 ARG 57 HH21 ARG 57 84.853 13.198 1.899 486 2HH1 ARG 57 HH22 ARG 57 84.880 14.340 3.201 487 1HH2 ARG 57 HH11 ARG 57 83.116 12.298 5.378 488 2HH2 ARG 57 HH12 ARG 57 83.897 13.830 5.171 489 H ARG 58 HN ARG 58 85.069 6.380 2.726 490 HA ARG 58 HA ARG 58 86.727 5.679 4.968 491 1HB ARG 58 HB2 ARG 58 84.583 4.147 3.471 492 2HB ARG 58 HB1 ARG 58 85.364 3.541 4.931 493 1HG ARG 58 HG2 ARG 58 84.593 5.470 6.202 494 2HG ARG 58 HG1 ARG 58 83.915 6.196 4.745 495 1HD ARG 58 HD2 ARG 58 82.150 5.093 6.061 496 2HD ARG 58 HD1 ARG 58 82.370 4.281 4.511 497 HE ARG 58 HE ARG 58 83.240 2.392 5.666 498 1HH1 ARG 58 HH21 ARG 58 82.843 5.160 7.682 499 2HH1 ARG 58 HH22 ARG 58 83.106 4.290 9.156 500 1HH2 ARG 58 HH11 ARG 58 83.586 1.239 7.579 501 2HH2 ARG 58 HH12 ARG 58 83.527 2.069 9.099 502 H VAL 59 HN VAL 59 86.520 4.478 1.636 503 HA VAL 59 HA VAL 59 88.283 2.249 1.966 504 HB VAL 59 HB VAL 59 87.616 3.964 -0.439 505 1HG1 VAL 59 HG11 VAL 59 89.665 3.100 -1.117 506 2HG1 VAL 59 HG12 VAL 59 88.583 1.795 -1.603 507 3HG1 VAL 59 HG13 VAL 59 89.509 1.662 -0.108 508 1HG2 VAL 59 HG21 VAL 59 85.901 2.511 -0.775 509 2HG2 VAL 59 HG22 VAL 59 86.131 2.078 0.919 510 3HG2 VAL 59 HG23 VAL 59 86.889 1.113 -0.349 511 H GLY 60 HN GLY 60 88.895 5.638 1.045 512 1HA GLY 60 HA2 GLY 60 91.681 5.377 0.547 513 2HA GLY 60 HA1 GLY 60 90.892 6.870 1.057 514 H ASP 61 HN ASP 61 89.972 6.248 3.570 515 HA ASP 61 HA ASP 61 92.364 6.442 5.150 516 1HB ASP 61 HB2 ASP 61 89.438 6.114 5.764 517 2HB ASP 61 HB1 ASP 61 90.627 5.960 7.058 518 H CYS 62 HN CYS 62 90.167 3.764 4.401 519 HA CYS 62 HA CYS 62 91.361 1.912 6.269 520 1HB CYS 62 HB2 CYS 62 89.751 1.430 3.743 521 2HB CYS 62 HB1 CYS 62 90.173 0.183 4.915 522 HG CYS 62 HG CYS 62 87.820 1.925 5.203 523 H PHE 63 HN PHE 63 91.723 2.335 2.730 524 HA PHE 63 HA PHE 63 93.733 0.341 2.400 525 1HB PHE 63 HB2 PHE 63 92.788 2.702 0.844 526 2HB PHE 63 HB1 PHE 63 94.374 2.050 0.428 527 HD1 PHE 63 HD1 PHE 63 93.957 0.963 -1.641 528 HD2 PHE 63 HD2 PHE 63 91.422 0.190 1.740 529 HE1 PHE 63 HE1 PHE 63 92.873 -0.895 -2.877 530 HE2 PHE 63 HE2 PHE 63 90.339 -1.668 0.504 531 HZ PHE 63 HZ PHE 63 91.065 -2.210 -1.804 532 H GLN 64 HN GLN 64 93.988 3.828 3.089 533 HA GLN 64 HA GLN 64 96.825 4.007 3.000 534 1HB GLN 64 HB2 GLN 64 95.231 5.949 3.164 535 2HB GLN 64 HB1 GLN 64 94.983 5.536 4.861 536 1HG GLN 64 HG2 GLN 64 97.379 5.834 5.306 537 2HG GLN 64 HG1 GLN 64 97.663 6.197 3.604 538 1HE2 GLN 64 HE21 GLN 64 98.265 8.092 5.697 539 2HE2 GLN 64 HE22 GLN 64 97.222 9.419 5.515 540 H ASP 65 HN ASP 65 94.629 3.084 5.641 541 HA ASP 65 HA ASP 65 96.590 2.942 7.703 542 1HB ASP 65 HB2 ASP 65 94.066 2.782 7.975 543 2HB ASP 65 HB1 ASP 65 94.194 1.110 7.427 544 H TYR 66 HN TYR 66 95.431 0.453 5.421 545 HA TYR 66 HA TYR 66 97.123 -1.641 6.402 546 1HB TYR 66 HB2 TYR 66 95.749 -1.146 3.760 547 2HB TYR 66 HB1 TYR 66 96.775 -2.558 4.011 548 HD1 TYR 66 HD1 TYR 66 93.494 -1.250 4.371 549 HD2 TYR 66 HD2 TYR 66 96.294 -3.952 6.192 550 HE1 TYR 66 HE1 TYR 66 91.629 -2.401 5.531 551 HE2 TYR 66 HE2 TYR 66 94.429 -5.103 7.352 552 HH TYR 66 HH TYR 66 92.145 -4.640 8.066 553 H TYR 67 HN TYR 67 97.621 0.934 4.032 554 HA TYR 67 HA TYR 67 100.033 -0.028 2.873 555 1HB TYR 67 HB2 TYR 67 99.230 1.829 1.746 556 2HB TYR 67 HB1 TYR 67 98.780 2.667 3.232 557 HD1 TYR 67 HD1 TYR 67 101.617 1.726 1.038 558 HD2 TYR 67 HD2 TYR 67 100.346 4.056 4.416 559 HE1 TYR 67 HE1 TYR 67 103.767 2.963 0.993 560 HE2 TYR 67 HE2 TYR 67 102.496 5.293 4.371 561 HH TYR 67 HH TYR 67 104.950 4.620 1.873 562 H ASN 68 HN ASN 68 99.625 2.269 5.598 563 HA ASN 68 HA ASN 68 102.418 2.369 6.230 564 1HB ASN 68 HB2 ASN 68 100.825 4.069 7.032 565 2HB ASN 68 HB1 ASN 68 100.017 2.852 8.023 566 1HD2 ASN 68 HD21 ASN 68 100.577 3.761 10.086 567 2HD2 ASN 68 HD22 ASN 68 102.178 3.849 10.642 568 H THR 69 HN THR 69 99.789 0.250 7.291 569 HA THR 69 HA THR 69 101.263 -1.004 9.425 570 HB THR 69 HB THR 69 98.950 -2.080 7.781 571 HG1 THR 69 HG1 THR 69 98.588 -1.169 10.353 572 1HG2 THR 69 HG21 THR 69 100.337 -2.993 10.284 573 2HG2 THR 69 HG22 THR 69 99.802 -3.947 8.900 574 3HG2 THR 69 HG23 THR 69 98.621 -3.329 10.056 575 H PHE 70 HN PHE 70 100.720 -1.877 6.009 576 HA PHE 70 HA PHE 70 102.840 -3.966 6.325 577 1HB PHE 70 HB2 PHE 70 100.419 -3.788 4.529 578 2HB PHE 70 HB1 PHE 70 101.769 -4.855 4.142 579 HD1 PHE 70 HD1 PHE 70 98.992 -4.206 6.457 580 HD2 PHE 70 HD2 PHE 70 102.335 -6.760 5.586 581 HE1 PHE 70 HE1 PHE 70 98.128 -5.886 8.065 582 HE2 PHE 70 HE2 PHE 70 101.471 -8.438 7.194 583 HZ PHE 70 HZ PHE 70 99.369 -8.002 8.433 584 H GLY 71 HN GLY 71 101.498 -1.655 3.941 585 1HA GLY 71 HA2 GLY 71 103.429 -0.070 3.150 586 2HA GLY 71 HA1 GLY 71 104.175 -1.584 2.634 587 HA PRO 72 HA PRO 72 101.560 0.106 -0.851 588 1HB PRO 72 HB2 PRO 72 103.852 -0.639 -2.514 589 2HB PRO 72 HB1 PRO 72 103.079 0.943 -2.323 590 1HG PRO 72 HG2 PRO 72 105.557 0.309 -1.362 591 2HG PRO 72 HG1 PRO 72 104.524 1.590 -0.709 592 1HD PRO 72 HD2 PRO 72 105.124 -1.093 0.376 593 2HD PRO 72 HD1 PRO 72 104.706 0.415 1.222 594 H GLU 73 HN GLU 73 103.274 -2.852 -0.217 595 HA GLU 73 HA GLU 73 102.530 -4.423 -2.445 596 1HB GLU 73 HB2 GLU 73 102.879 -5.148 0.474 597 2HB GLU 73 HB1 GLU 73 102.587 -6.353 -0.781 598 1HG GLU 73 HG2 GLU 73 104.594 -5.586 -1.994 599 2HG GLU 73 HG1 GLU 73 104.889 -4.378 -0.742 600 H LYS 74 HN LYS 74 100.788 -4.072 0.667 601 HA LYS 74 HA LYS 74 98.491 -5.560 -0.177 602 1HB LYS 74 HB2 LYS 74 98.786 -3.411 1.945 603 2HB LYS 74 HB1 LYS 74 97.358 -4.429 1.752 604 1HG LYS 74 HG2 LYS 74 100.148 -5.530 2.171 605 2HG LYS 74 HG1 LYS 74 98.998 -5.264 3.482 606 1HD LYS 74 HD2 LYS 74 97.372 -6.675 1.988 607 2HD LYS 74 HD1 LYS 74 98.855 -7.235 1.216 608 1HE LYS 74 HE2 LYS 74 99.732 -7.835 3.499 609 2HE LYS 74 HE1 LYS 74 98.140 -7.448 4.152 610 1HZ LYS 74 HZ1 LYS 74 98.844 -9.867 3.272 611 2HZ LYS 74 HZ2 LYS 74 98.142 -9.222 1.864 612 3HZ LYS 74 HZ3 LYS 74 97.244 -9.304 3.304 613 H VAL 75 HN VAL 75 99.216 -2.074 -0.197 614 HA VAL 75 HA VAL 75 97.220 -1.725 -2.346 615 HB VAL 75 HB VAL 75 96.112 0.149 -1.164 616 1HG1 VAL 75 HG11 VAL 75 95.327 -2.285 -1.022 617 2HG1 VAL 75 HG12 VAL 75 94.731 -1.201 0.235 618 3HG1 VAL 75 HG13 VAL 75 96.051 -2.316 0.586 619 1HG2 VAL 75 HG21 VAL 75 96.704 -0.264 1.510 620 2HG2 VAL 75 HG22 VAL 75 97.325 1.060 0.525 621 3HG2 VAL 75 HG23 VAL 75 98.282 -0.406 0.737 622 HA PRO 76 HA PRO 76 100.882 0.944 -2.951 623 1HB PRO 76 HB2 PRO 76 101.236 0.343 -5.584 624 2HB PRO 76 HB1 PRO 76 101.856 -0.677 -4.272 625 1HG PRO 76 HG2 PRO 76 99.532 -1.089 -6.043 626 2HG PRO 76 HG1 PRO 76 100.574 -2.276 -5.242 627 1HD PRO 76 HD2 PRO 76 97.993 -1.474 -4.428 628 2HD PRO 76 HD1 PRO 76 99.138 -2.447 -3.482 629 H VAL 77 HN VAL 77 101.240 2.582 -4.917 630 HA VAL 77 HA VAL 77 99.095 4.429 -4.917 631 HB VAL 77 HB VAL 77 101.433 5.023 -5.499 632 1HG1 VAL 77 HG11 VAL 77 102.398 4.402 -7.599 633 2HG1 VAL 77 HG12 VAL 77 100.868 3.750 -8.186 634 3HG1 VAL 77 HG13 VAL 77 101.748 2.916 -6.906 635 1HG2 VAL 77 HG21 VAL 77 99.287 6.279 -6.329 636 2HG2 VAL 77 HG22 VAL 77 99.748 5.654 -7.912 637 3HG2 VAL 77 HG23 VAL 77 100.850 6.707 -7.026 638 H THR 78 HN THR 78 99.639 1.607 -6.869 639 HA THR 78 HA THR 78 98.057 2.273 -9.144 640 HB THR 78 HB THR 78 98.084 -0.029 -9.656 641 HG1 THR 78 HG1 THR 78 97.087 -0.904 -7.915 642 1HG2 THR 78 HG21 THR 78 100.404 0.308 -7.739 643 2HG2 THR 78 HG22 THR 78 100.366 0.973 -9.373 644 3HG2 THR 78 HG23 THR 78 100.330 -0.774 -9.130 645 H ALA 79 HN ALA 79 97.176 1.082 -5.934 646 HA ALA 79 HA ALA 79 94.489 0.361 -6.424 647 1HB ALA 79 HB1 ALA 79 95.480 -0.082 -4.264 648 2HB ALA 79 HB2 ALA 79 94.116 1.007 -4.009 649 3HB ALA 79 HB3 ALA 79 95.763 1.637 -3.988 650 H PHE 80 HN PHE 80 95.909 3.557 -5.788 651 HA PHE 80 HA PHE 80 93.379 4.949 -5.741 652 1HB PHE 80 HB2 PHE 80 96.220 5.881 -6.223 653 2HB PHE 80 HB1 PHE 80 94.844 6.982 -6.150 654 HD1 PHE 80 HD1 PHE 80 93.752 7.497 -4.066 655 HD2 PHE 80 HD2 PHE 80 96.865 4.542 -4.230 656 HE1 PHE 80 HE1 PHE 80 93.867 7.481 -1.589 657 HE2 PHE 80 HE2 PHE 80 96.979 4.526 -1.752 658 HZ PHE 80 HZ PHE 80 95.480 5.996 -0.432 659 H SER 81 HN SER 81 95.733 4.191 -8.281 660 HA SER 81 HA SER 81 94.622 5.805 -10.343 661 1HB SER 81 HB2 SER 81 96.806 4.632 -10.524 662 2HB SER 81 HB1 SER 81 95.956 3.092 -10.607 663 HG SER 81 HG SER 81 95.264 3.565 -12.579 664 H TYR 82 HN TYR 82 93.926 2.415 -9.446 665 HA TYR 82 HA TYR 82 91.925 1.979 -11.435 666 1HB TYR 82 HB2 TYR 82 92.301 0.760 -8.685 667 2HB TYR 82 HB1 TYR 82 91.118 0.181 -9.857 668 HD1 TYR 82 HD1 TYR 82 94.431 -0.198 -8.693 669 HD2 TYR 82 HD2 TYR 82 92.087 -0.256 -12.292 670 HE1 TYR 82 HE1 TYR 82 96.193 -1.531 -9.820 671 HE2 TYR 82 HE2 TYR 82 93.848 -1.589 -13.419 672 HH TYR 82 HH TYR 82 95.690 -2.946 -12.976 673 H TRP 83 HN TRP 83 91.725 3.287 -8.134 674 HA TRP 83 HA TRP 83 88.860 3.472 -8.064 675 1HB TRP 83 HB2 TRP 83 90.701 3.771 -6.172 676 2HB TRP 83 HB1 TRP 83 90.567 5.469 -6.626 677 HD1 TRP 83 HD1 TRP 83 88.296 6.714 -6.138 678 HE1 TRP 83 HE1 TRP 83 86.270 6.127 -4.655 679 HE3 TRP 83 HE3 TRP 83 89.240 1.771 -5.269 680 HZ2 TRP 83 HZ2 TRP 83 85.192 3.861 -3.282 681 HZ3 TRP 83 HZ3 TRP 83 87.700 0.424 -3.872 682 HH2 TRP 83 HH2 TRP 83 85.679 1.461 -2.878 683 H ASN 84 HN ASN 84 91.399 5.646 -9.225 684 HA ASN 84 HA ASN 84 89.820 7.968 -9.633 685 1HB ASN 84 HB2 ASN 84 92.271 6.868 -11.001 686 2HB ASN 84 HB1 ASN 84 91.507 8.349 -11.580 687 1HD2 ASN 84 HD21 ASN 84 90.675 9.421 -9.041 688 2HD2 ASN 84 HD22 ASN 84 92.066 9.831 -8.160 689 H LEU 85 HN LEU 85 90.358 5.140 -11.724 690 HA LEU 85 HA LEU 85 88.808 6.088 -13.940 691 1HB LEU 85 HB2 LEU 85 89.421 3.273 -12.996 692 2HB LEU 85 HB1 LEU 85 88.647 3.651 -14.536 693 HG LEU 85 HG LEU 85 91.341 4.745 -13.684 694 1HD1 LEU 85 HD11 LEU 85 90.549 2.180 -14.882 695 2HD1 LEU 85 HD12 LEU 85 92.076 2.646 -14.134 696 3HD1 LEU 85 HD13 LEU 85 91.760 3.052 -15.821 697 1HD2 LEU 85 HD21 LEU 85 89.519 5.110 -15.993 698 2HD2 LEU 85 HD22 LEU 85 91.216 4.863 -16.404 699 3HD2 LEU 85 HD23 LEU 85 90.750 6.197 -15.348 700 H ILE 86 HN ILE 86 87.940 4.284 -11.009 701 HA ILE 86 HA ILE 86 85.234 3.717 -11.734 702 HB ILE 86 HB ILE 86 86.676 4.018 -9.104 703 1HG1 ILE 86 HG12 ILE 86 86.717 1.970 -10.760 704 2HG1 ILE 86 HG11 ILE 86 86.533 1.684 -9.028 705 1HG2 ILE 86 HG21 ILE 86 83.717 3.784 -9.615 706 2HG2 ILE 86 HG22 ILE 86 84.561 4.800 -8.446 707 3HG2 ILE 86 HG23 ILE 86 84.432 3.061 -8.173 708 1HD1 ILE 86 HD11 ILE 86 84.883 0.518 -10.704 709 2HD1 ILE 86 HD12 ILE 86 84.092 2.095 -10.731 710 3HD1 ILE 86 HD13 ILE 86 84.252 1.215 -9.211 711 H LYS 87 HN LYS 87 86.706 6.503 -10.074 712 HA LYS 87 HA LYS 87 84.316 7.896 -9.455 713 1HB LYS 87 HB2 LYS 87 87.173 8.632 -9.849 714 2HB LYS 87 HB1 LYS 87 86.000 9.947 -9.958 715 1HG LYS 87 HG2 LYS 87 85.059 9.266 -7.763 716 2HG LYS 87 HG1 LYS 87 86.285 8.004 -7.646 717 1HD LYS 87 HD2 LYS 87 86.896 10.959 -7.936 718 2HD LYS 87 HD1 LYS 87 86.915 10.082 -6.406 719 1HE LYS 87 HE2 LYS 87 88.527 8.449 -7.699 720 2HE LYS 87 HE1 LYS 87 88.778 9.844 -8.748 721 1HZ LYS 87 HZ1 LYS 87 89.771 9.365 -6.127 722 2HZ LYS 87 HZ2 LYS 87 88.907 10.827 -6.187 723 3HZ LYS 87 HZ3 LYS 87 90.213 10.566 -7.240 724 H GLU 88 HN GLU 88 86.293 7.938 -12.422 725 HA GLU 88 HA GLU 88 84.686 9.909 -13.773 726 1HB GLU 88 HB2 GLU 88 86.517 7.740 -14.844 727 2HB GLU 88 HB1 GLU 88 85.790 9.000 -15.841 728 1HG GLU 88 HG2 GLU 88 86.908 10.736 -14.549 729 2HG GLU 88 HG1 GLU 88 87.549 9.532 -13.430 730 H LEU 89 HN LEU 89 84.543 6.378 -13.557 731 HA LEU 89 HA LEU 89 82.572 5.997 -15.604 732 1HB LEU 89 HB2 LEU 89 83.793 4.404 -13.463 733 2HB LEU 89 HB1 LEU 89 82.109 3.976 -13.771 734 HG LEU 89 HG LEU 89 82.587 3.679 -16.153 735 1HD1 LEU 89 HD11 LEU 89 85.398 3.666 -16.262 736 2HD1 LEU 89 HD12 LEU 89 84.974 5.158 -15.423 737 3HD1 LEU 89 HD13 LEU 89 84.317 4.831 -17.026 738 1HD2 LEU 89 HD21 LEU 89 83.384 2.006 -14.118 739 2HD2 LEU 89 HD22 LEU 89 84.866 2.159 -15.062 740 3HD2 LEU 89 HD23 LEU 89 83.389 1.575 -15.828 741 H ILE 90 HN ILE 90 82.231 6.234 -12.047 742 HA ILE 90 HA ILE 90 79.340 6.231 -12.159 743 HB ILE 90 HB ILE 90 79.471 6.859 -9.782 744 1HG1 ILE 90 HG12 ILE 90 82.361 7.372 -10.509 745 2HG1 ILE 90 HG11 ILE 90 81.221 8.472 -9.732 746 1HG2 ILE 90 HG21 ILE 90 80.408 4.850 -9.051 747 2HG2 ILE 90 HG22 ILE 90 81.740 4.937 -10.202 748 3HG2 ILE 90 HG23 ILE 90 80.122 4.502 -10.756 749 1HD1 ILE 90 HD11 ILE 90 82.547 7.720 -7.938 750 2HD1 ILE 90 HD12 ILE 90 82.612 6.071 -8.559 751 3HD1 ILE 90 HD13 ILE 90 81.120 6.687 -7.847 752 H ASP 91 HN ASP 91 81.810 8.778 -11.905 753 HA ASP 91 HA ASP 91 80.018 10.966 -11.538 754 1HB ASP 91 HB2 ASP 91 82.759 10.808 -12.819 755 2HB ASP 91 HB1 ASP 91 81.910 12.328 -12.543 756 H LYS 92 HN LYS 92 81.490 9.696 -14.546 757 HA LYS 92 HA LYS 92 80.043 11.468 -16.280 758 1HB LYS 92 HB2 LYS 92 81.346 8.777 -16.769 759 2HB LYS 92 HB1 LYS 92 80.647 9.765 -18.053 760 1HG LYS 92 HG2 LYS 92 82.161 11.614 -17.480 761 2HG LYS 92 HG1 LYS 92 82.845 10.658 -16.164 762 1HD LYS 92 HD2 LYS 92 83.608 8.963 -17.784 763 2HD LYS 92 HD1 LYS 92 82.924 9.914 -19.102 764 1HE LYS 92 HE2 LYS 92 84.418 11.795 -18.518 765 2HE LYS 92 HE1 LYS 92 85.112 10.832 -17.214 766 1HZ LYS 92 HZ1 LYS 92 86.482 9.913 -18.667 767 2HZ LYS 92 HZ2 LYS 92 85.812 10.840 -19.923 768 3HZ LYS 92 HZ3 LYS 92 85.172 9.309 -19.558 769 H LYS 93 HN LYS 93 79.386 8.170 -15.119 770 HA LYS 93 HA LYS 93 76.919 7.946 -16.656 771 1HB LYS 93 HB2 LYS 93 78.059 6.324 -14.364 772 2HB LYS 93 HB1 LYS 93 76.553 5.922 -15.188 773 1HG LYS 93 HG2 LYS 93 77.755 5.759 -17.331 774 2HG LYS 93 HG1 LYS 93 79.264 6.184 -16.522 775 1HD LYS 93 HD2 LYS 93 79.151 4.173 -15.153 776 2HD LYS 93 HD1 LYS 93 77.569 3.769 -15.822 777 1HE LYS 93 HE2 LYS 93 78.573 3.574 -18.072 778 2HE LYS 93 HE1 LYS 93 80.156 3.957 -17.395 779 1HZ LYS 93 HZ1 LYS 93 79.170 1.930 -15.829 780 2HZ LYS 93 HZ2 LYS 93 80.380 1.799 -17.015 781 3HZ LYS 93 HZ3 LYS 93 78.759 1.479 -17.412 782 H GLU 94 HN GLU 94 74.842 8.401 -15.955 783 HA GLU 94 HA GLU 94 74.626 9.960 -13.447 784 1HB GLU 94 HB2 GLU 94 72.626 9.461 -15.674 785 2HB GLU 94 HB1 GLU 94 72.361 10.528 -14.295 786 1HG GLU 94 HG2 GLU 94 74.644 10.834 -16.266 787 2HG GLU 94 HG1 GLU 94 73.133 11.739 -16.352 788 H VAL 95 HN VAL 95 74.654 8.342 -11.835 789 HA VAL 95 HA VAL 95 72.300 6.496 -11.885 790 HB VAL 95 HB VAL 95 74.566 5.375 -12.168 791 1HG1 VAL 95 HG11 VAL 95 75.039 5.691 -9.255 792 2HG1 VAL 95 HG12 VAL 95 75.393 7.105 -10.248 793 3HG1 VAL 95 HG13 VAL 95 76.200 5.572 -10.578 794 1HG2 VAL 95 HG21 VAL 95 73.330 3.665 -11.370 795 2HG2 VAL 95 HG22 VAL 95 72.381 4.762 -10.365 796 3HG2 VAL 95 HG23 VAL 95 73.890 4.086 -9.751 797 H ASN 96 HN ASN 96 73.143 5.635 -9.121 798 HA ASN 96 HA ASN 96 72.353 8.120 -7.652 799 1HB ASN 96 HB2 ASN 96 70.496 6.427 -7.867 800 2HB ASN 96 HB1 ASN 96 71.497 5.297 -6.956 801 1HD2 ASN 96 HD21 ASN 96 69.142 7.715 -6.605 802 2HD2 ASN 96 HD22 ASN 96 69.371 8.046 -4.955 803 HA PRO 97 HA PRO 97 76.179 6.422 -5.741 804 1HB PRO 97 HB2 PRO 97 77.630 8.726 -5.814 805 2HB PRO 97 HB1 PRO 97 77.526 7.610 -7.189 806 1HG PRO 97 HG2 PRO 97 76.233 10.227 -6.787 807 2HG PRO 97 HG1 PRO 97 76.693 9.406 -8.287 808 1HD PRO 97 HD2 PRO 97 74.082 9.571 -7.174 809 2HD PRO 97 HD1 PRO 97 74.586 8.559 -8.546 810 H GLN 98 HN GLN 98 74.697 9.610 -5.105 811 HA GLN 98 HA GLN 98 75.409 9.295 -2.227 812 1HB GLN 98 HB2 GLN 98 74.487 11.689 -3.841 813 2HB GLN 98 HB1 GLN 98 74.692 11.716 -2.089 814 1HG GLN 98 HG2 GLN 98 77.066 11.018 -2.387 815 2HG GLN 98 HG1 GLN 98 76.846 11.106 -4.134 816 1HE2 GLN 98 HE21 GLN 98 78.721 12.809 -3.618 817 2HE2 GLN 98 HE22 GLN 98 78.195 14.405 -3.381 818 H VAL 99 HN VAL 99 73.595 10.227 -0.733 819 HA VAL 99 HA VAL 99 71.182 8.671 -1.262 820 HB VAL 99 HB VAL 99 71.869 10.588 0.986 821 1HG1 VAL 99 HG11 VAL 99 69.973 8.804 1.908 822 2HG1 VAL 99 HG12 VAL 99 69.422 9.129 0.263 823 3HG1 VAL 99 HG13 VAL 99 69.643 10.460 1.400 824 1HG2 VAL 99 HG21 VAL 99 71.673 7.629 1.321 825 2HG2 VAL 99 HG22 VAL 99 72.730 8.782 2.135 826 3HG2 VAL 99 HG23 VAL 99 73.100 8.254 0.493 827 H MET 100 HN MET 100 70.569 9.881 -3.254 828 HA MET 100 HA MET 100 68.749 12.094 -2.555 829 1HB MET 100 HB2 MET 100 70.944 13.175 -3.110 830 2HB MET 100 HB1 MET 100 70.856 12.437 -4.710 831 1HG MET 100 HG2 MET 100 68.748 13.610 -5.159 832 2HG MET 100 HG1 MET 100 68.778 14.312 -3.542 833 1HE MET 100 HE1 MET 100 70.374 13.725 -6.763 834 2HE MET 100 HE2 MET 100 72.009 13.960 -6.148 835 3HE MET 100 HE3 MET 100 71.288 15.176 -7.200 Start of MODEL 6 1 1H MET 1 HT1 MET 1 71.621 -4.561 1.486 2 2H MET 1 HT2 MET 1 71.959 -5.208 -0.049 3 3H MET 1 HT3 MET 1 73.025 -5.481 1.247 4 HA MET 1 HA MET 1 71.953 -7.324 1.782 5 1HB MET 1 HB2 MET 1 69.606 -5.417 1.961 6 2HB MET 1 HB1 MET 1 69.508 -7.113 2.439 7 1HG MET 1 HG2 MET 1 71.288 -6.790 4.081 8 2HG MET 1 HG1 MET 1 71.496 -5.118 3.562 9 1HE MET 1 HE1 MET 1 69.285 -7.790 4.695 10 2HE MET 1 HE2 MET 1 67.819 -6.988 4.136 11 3HE MET 1 HE3 MET 1 68.147 -7.105 5.863 12 H GLY 2 HN GLY 2 69.464 -8.394 1.126 13 1HA GLY 2 HA2 GLY 2 68.054 -8.935 -0.757 14 2HA GLY 2 HA1 GLY 2 69.178 -8.075 -1.811 15 H GLN 3 HN GLN 3 71.067 -9.853 0.216 16 HA GLN 3 HA GLN 3 71.001 -12.252 -1.566 17 1HB GLN 3 HB2 GLN 3 73.426 -10.695 -0.625 18 2HB GLN 3 HB1 GLN 3 73.510 -12.275 -1.405 19 1HG GLN 3 HG2 GLN 3 72.447 -11.394 -3.410 20 2HG GLN 3 HG1 GLN 3 72.200 -9.832 -2.631 21 1HE2 GLN 3 HE21 GLN 3 74.245 -11.392 -4.761 22 2HE2 GLN 3 HE22 GLN 3 75.646 -10.462 -4.526 23 H GLU 4 HN GLU 4 72.044 -14.173 -0.536 24 HA GLU 4 HA GLU 4 71.056 -14.708 2.048 25 1HB GLU 4 HB2 GLU 4 73.387 -15.952 0.562 26 2HB GLU 4 HB1 GLU 4 72.712 -16.610 2.052 27 1HG GLU 4 HG2 GLU 4 70.514 -16.840 0.974 28 2HG GLU 4 HG1 GLU 4 71.161 -16.147 -0.514 29 H LEU 5 HN LEU 5 71.777 -14.192 4.069 30 HA LEU 5 HA LEU 5 74.330 -12.688 4.269 31 1HB LEU 5 HB2 LEU 5 72.032 -13.047 6.217 32 2HB LEU 5 HB1 LEU 5 73.489 -12.112 6.561 33 HG LEU 5 HG LEU 5 71.678 -11.579 4.192 34 1HD1 LEU 5 HD11 LEU 5 71.755 -10.358 6.961 35 2HD1 LEU 5 HD12 LEU 5 70.376 -11.103 6.151 36 3HD1 LEU 5 HD13 LEU 5 71.003 -9.556 5.582 37 1HD2 LEU 5 HD21 LEU 5 73.067 -9.280 4.870 38 2HD2 LEU 5 HD22 LEU 5 73.508 -10.389 3.571 39 3HD2 LEU 5 HD23 LEU 5 74.253 -10.553 5.162 40 H SER 6 HN SER 6 76.008 -14.123 4.501 41 HA SER 6 HA SER 6 75.714 -16.609 6.000 42 1HB SER 6 HB2 SER 6 78.204 -16.770 5.620 43 2HB SER 6 HB1 SER 6 77.260 -16.586 4.144 44 HG SER 6 HG SER 6 79.053 -14.870 5.352 45 H GLN 7 HN GLN 7 77.386 -17.062 7.806 46 HA GLN 7 HA GLN 7 76.876 -15.460 10.045 47 1HB GLN 7 HB2 GLN 7 79.287 -17.201 9.450 48 2HB GLN 7 HB1 GLN 7 78.934 -16.520 11.038 49 1HG GLN 7 HG2 GLN 7 76.803 -17.703 11.120 50 2HG GLN 7 HG1 GLN 7 77.043 -18.307 9.480 51 1HE2 GLN 7 HE21 GLN 7 76.741 -20.410 10.993 52 2HE2 GLN 7 HE22 GLN 7 78.193 -21.105 11.529 53 H HIS 8 HN HIS 8 79.627 -15.273 7.786 54 HA HIS 8 HA HIS 8 80.945 -13.118 9.171 55 1HB HIS 8 HB2 HIS 8 82.099 -14.563 7.521 56 2HB HIS 8 HB1 HIS 8 81.089 -13.893 6.240 57 HD2 HIS 8 HD2 HIS 8 81.835 -11.311 5.368 58 HE1 HIS 8 HE1 HIS 8 85.121 -10.851 7.982 59 HE2 HIS 8 HE2 HIS 8 83.906 -9.853 5.991 60 H GLU 9 HN GLU 9 78.797 -13.172 6.309 61 HA GLU 9 HA GLU 9 78.759 -10.351 5.904 62 1HB GLU 9 HB2 GLU 9 76.676 -12.468 5.290 63 2HB GLU 9 HB1 GLU 9 76.578 -10.800 4.725 64 1HG GLU 9 HG2 GLU 9 78.731 -11.054 3.559 65 2HG GLU 9 HG1 GLU 9 78.856 -12.716 4.139 66 H ARG 10 HN ARG 10 76.849 -12.452 8.014 67 HA ARG 10 HA ARG 10 74.891 -10.540 8.811 68 1HB ARG 10 HB2 ARG 10 76.092 -12.947 10.187 69 2HB ARG 10 HB1 ARG 10 74.847 -11.963 10.958 70 1HG ARG 10 HG2 ARG 10 73.329 -12.358 9.076 71 2HG ARG 10 HG1 ARG 10 74.576 -13.287 8.243 72 1HD ARG 10 HD2 ARG 10 74.601 -14.916 10.104 73 2HD ARG 10 HD1 ARG 10 73.336 -13.994 10.919 74 HE ARG 10 HE ARG 10 72.423 -14.636 8.299 75 1HH1 ARG 10 HH21 ARG 10 73.264 -16.083 11.313 76 2HH1 ARG 10 HH22 ARG 10 72.169 -17.413 11.132 77 1HH2 ARG 10 HH11 ARG 10 70.987 -16.363 8.045 78 2HH2 ARG 10 HH12 ARG 10 70.880 -17.571 9.282 79 H TYR 11 HN TYR 11 78.133 -11.248 10.108 80 HA TYR 11 HA TYR 11 78.021 -9.436 12.309 81 1HB TYR 11 HB2 TYR 11 79.817 -11.060 12.159 82 2HB TYR 11 HB1 TYR 11 80.368 -10.369 10.632 83 HD1 TYR 11 HD1 TYR 11 81.967 -8.648 10.622 84 HD2 TYR 11 HD2 TYR 11 79.770 -9.477 14.219 85 HE1 TYR 11 HE1 TYR 11 83.387 -7.037 11.862 86 HE2 TYR 11 HE2 TYR 11 81.189 -7.865 15.458 87 HH TYR 11 HH TYR 11 83.742 -6.950 15.018 88 H VAL 12 HN VAL 12 78.811 -8.955 8.890 89 HA VAL 12 HA VAL 12 79.834 -6.305 9.092 90 HB VAL 12 HB VAL 12 78.202 -7.506 6.833 91 1HG1 VAL 12 HG11 VAL 12 79.502 -5.864 5.463 92 2HG1 VAL 12 HG12 VAL 12 80.157 -5.190 6.955 93 3HG1 VAL 12 HG13 VAL 12 78.427 -5.087 6.626 94 1HG2 VAL 12 HG21 VAL 12 80.069 -8.955 7.259 95 2HG2 VAL 12 HG22 VAL 12 81.155 -7.587 7.504 96 3HG2 VAL 12 HG23 VAL 12 80.533 -7.941 5.893 97 H GLU 13 HN GLU 13 76.498 -7.480 8.625 98 HA GLU 13 HA GLU 13 75.235 -4.958 8.389 99 1HB GLU 13 HB2 GLU 13 74.093 -7.139 8.021 100 2HB GLU 13 HB1 GLU 13 74.143 -7.436 9.758 101 1HG GLU 13 HG2 GLU 13 72.777 -5.463 10.179 102 2HG GLU 13 HG1 GLU 13 72.808 -5.039 8.468 103 H GLN 14 HN GLN 14 75.957 -6.870 11.325 104 HA GLN 14 HA GLN 14 74.843 -5.003 13.180 105 1HB GLN 14 HB2 GLN 14 75.475 -7.291 13.838 106 2HB GLN 14 HB1 GLN 14 77.173 -6.916 13.540 107 1HG GLN 14 HG2 GLN 14 77.170 -5.243 15.299 108 2HG GLN 14 HG1 GLN 14 75.432 -5.439 15.535 109 1HE2 GLN 14 HE21 GLN 14 77.283 -5.886 17.682 110 2HE2 GLN 14 HE22 GLN 14 77.261 -7.538 18.070 111 H LEU 15 HN LEU 15 78.060 -5.259 11.701 112 HA LEU 15 HA LEU 15 79.320 -3.214 13.239 113 1HB LEU 15 HB2 LEU 15 80.594 -4.732 11.780 114 2HB LEU 15 HB1 LEU 15 79.816 -4.036 10.359 115 HG LEU 15 HG LEU 15 80.788 -1.840 10.881 116 1HD1 LEU 15 HD11 LEU 15 82.698 -2.056 12.721 117 2HD1 LEU 15 HD12 LEU 15 81.632 -3.314 13.345 118 3HD1 LEU 15 HD13 LEU 15 81.041 -1.661 13.177 119 1HD2 LEU 15 HD21 LEU 15 82.590 -2.486 9.691 120 2HD2 LEU 15 HD22 LEU 15 82.196 -4.165 10.063 121 3HD2 LEU 15 HD23 LEU 15 83.285 -3.261 11.114 122 H LYS 16 HN LYS 16 77.473 -3.086 10.200 123 HA LYS 16 HA LYS 16 77.810 -0.302 9.696 124 1HB LYS 16 HB2 LYS 16 76.868 -1.930 8.056 125 2HB LYS 16 HB1 LYS 16 75.404 -2.027 9.034 126 1HG LYS 16 HG2 LYS 16 74.998 0.366 8.722 127 2HG LYS 16 HG1 LYS 16 76.501 0.521 7.811 128 1HD LYS 16 HD2 LYS 16 75.632 -1.056 6.115 129 2HD LYS 16 HD1 LYS 16 74.121 -1.185 7.018 130 1HE LYS 16 HE2 LYS 16 73.733 1.232 6.731 131 2HE LYS 16 HE1 LYS 16 75.249 1.373 5.841 132 1HZ LYS 16 HZ1 LYS 16 74.332 0.534 4.005 133 2HZ LYS 16 HZ2 LYS 16 72.837 0.876 4.736 134 3HZ LYS 16 HZ3 LYS 16 73.502 -0.684 4.843 135 H GLN 17 HN GLN 17 75.446 -2.068 11.672 136 HA GLN 17 HA GLN 17 73.724 0.121 12.251 137 1HB GLN 17 HB2 GLN 17 74.467 -2.334 13.860 138 2HB GLN 17 HB1 GLN 17 73.240 -1.182 14.388 139 1HG GLN 17 HG2 GLN 17 71.967 -1.557 12.325 140 2HG GLN 17 HG1 GLN 17 73.208 -2.668 11.744 141 1HE2 GLN 17 HE21 GLN 17 70.207 -2.721 13.104 142 2HE2 GLN 17 HE22 GLN 17 70.303 -4.173 13.977 143 H ALA 18 HN ALA 18 76.624 -1.054 13.970 144 HA ALA 18 HA ALA 18 76.573 0.955 16.013 145 1HB ALA 18 HB1 ALA 18 78.392 -1.135 15.102 146 2HB ALA 18 HB2 ALA 18 78.153 -0.493 16.727 147 3HB ALA 18 HB3 ALA 18 79.260 0.311 15.615 148 H LEU 19 HN LEU 19 78.087 0.834 12.802 149 HA LEU 19 HA LEU 19 79.502 3.325 13.064 150 1HB LEU 19 HB2 LEU 19 78.498 1.848 10.613 151 2HB LEU 19 HB1 LEU 19 79.565 3.251 10.556 152 HG LEU 19 HG LEU 19 80.200 0.695 12.056 153 1HD1 LEU 19 HD11 LEU 19 81.807 0.280 10.209 154 2HD1 LEU 19 HD12 LEU 19 81.166 1.684 9.354 155 3HD1 LEU 19 HD13 LEU 19 80.139 0.279 9.636 156 1HD2 LEU 19 HD21 LEU 19 82.559 1.942 11.611 157 2HD2 LEU 19 HD22 LEU 19 81.590 2.223 13.058 158 3HD2 LEU 19 HD23 LEU 19 81.498 3.348 11.702 159 H LYS 20 HN LYS 20 76.272 2.480 11.844 160 HA LYS 20 HA LYS 20 75.540 5.023 10.832 161 1HB LYS 20 HB2 LYS 20 74.195 2.931 10.562 162 2HB LYS 20 HB1 LYS 20 73.738 3.044 12.262 163 1HG LYS 20 HG2 LYS 20 72.679 5.212 11.870 164 2HG LYS 20 HG1 LYS 20 73.204 5.190 10.187 165 1HD LYS 20 HD2 LYS 20 71.864 3.150 9.797 166 2HD LYS 20 HD1 LYS 20 71.326 3.187 11.477 167 1HE LYS 20 HE2 LYS 20 70.268 5.367 11.119 168 2HE LYS 20 HE1 LYS 20 70.856 5.400 9.457 169 1HZ LYS 20 HZ1 LYS 20 68.668 3.887 10.621 170 2HZ LYS 20 HZ2 LYS 20 69.621 3.051 9.491 171 3HZ LYS 20 HZ3 LYS 20 68.850 4.499 9.050 172 H THR 21 HN THR 21 75.343 3.714 14.134 173 HA THR 21 HA THR 21 73.993 5.972 15.274 174 HB THR 21 HB THR 21 74.794 5.085 17.437 175 HG1 THR 21 HG1 THR 21 76.142 3.187 17.298 176 1HG2 THR 21 HG21 THR 21 73.113 3.615 17.191 177 2HG2 THR 21 HG22 THR 21 74.235 2.495 16.417 178 3HG2 THR 21 HG23 THR 21 73.319 3.643 15.440 179 H ARG 22 HN ARG 22 77.397 5.262 14.653 180 HA ARG 22 HA ARG 22 78.427 7.496 16.174 181 1HB ARG 22 HB2 ARG 22 79.613 5.885 13.894 182 2HB ARG 22 HB1 ARG 22 80.505 7.098 14.814 183 1HG ARG 22 HG2 ARG 22 80.064 5.843 16.897 184 2HG ARG 22 HG1 ARG 22 79.188 4.623 15.972 185 1HD ARG 22 HD2 ARG 22 81.230 4.141 14.670 186 2HD ARG 22 HD1 ARG 22 82.108 5.354 15.602 187 HE ARG 22 HE ARG 22 80.944 3.485 17.416 188 1HH1 ARG 22 HH21 ARG 22 83.344 3.763 14.955 189 2HH1 ARG 22 HH22 ARG 22 84.371 2.544 15.635 190 1HH2 ARG 22 HH11 ARG 22 82.271 1.892 18.315 191 2HH2 ARG 22 HH12 ARG 22 83.764 1.486 17.537 192 H GLY 23 HN GLY 23 76.871 7.202 13.118 193 1HA GLY 23 HA2 GLY 23 76.040 9.360 12.166 194 2HA GLY 23 HA1 GLY 23 77.639 10.028 12.501 195 H VAL 24 HN VAL 24 76.643 6.942 11.000 196 HA VAL 24 HA VAL 24 78.235 7.752 8.598 197 HB VAL 24 HB VAL 24 77.965 5.035 9.911 198 1HG1 VAL 24 HG11 VAL 24 78.631 5.831 7.141 199 2HG1 VAL 24 HG12 VAL 24 78.071 4.278 7.762 200 3HG1 VAL 24 HG13 VAL 24 79.775 4.717 7.890 201 1HG2 VAL 24 HG21 VAL 24 79.963 5.524 10.835 202 2HG2 VAL 24 HG22 VAL 24 79.821 7.159 10.190 203 3HG2 VAL 24 HG23 VAL 24 80.636 5.907 9.250 204 H LYS 25 HN LYS 25 77.165 7.591 6.658 205 HA LYS 25 HA LYS 25 74.590 6.075 6.631 206 1HB LYS 25 HB2 LYS 25 75.081 8.836 5.466 207 2HB LYS 25 HB1 LYS 25 73.597 7.902 5.277 208 1HG LYS 25 HG2 LYS 25 73.293 7.888 7.728 209 2HG LYS 25 HG1 LYS 25 74.770 8.834 7.915 210 1HD LYS 25 HD2 LYS 25 73.760 10.638 6.532 211 2HD LYS 25 HD1 LYS 25 72.267 9.705 6.440 212 1HE LYS 25 HE2 LYS 25 73.562 10.664 9.010 213 2HE LYS 25 HE1 LYS 25 72.169 11.418 8.233 214 1HZ LYS 25 HZ1 LYS 25 72.314 8.640 9.274 215 2HZ LYS 25 HZ2 LYS 25 70.984 9.300 8.446 216 3HZ LYS 25 HZ3 LYS 25 71.443 9.925 9.958 217 H VAL 26 HN VAL 26 75.346 4.386 5.353 218 HA VAL 26 HA VAL 26 76.168 5.139 2.590 219 HB VAL 26 HB VAL 26 77.852 3.314 2.614 220 1HG1 VAL 26 HG11 VAL 26 79.452 4.730 3.400 221 2HG1 VAL 26 HG12 VAL 26 78.684 4.871 4.981 222 3HG1 VAL 26 HG13 VAL 26 78.104 5.844 3.630 223 1HG2 VAL 26 HG21 VAL 26 78.502 2.461 4.928 224 2HG2 VAL 26 HG22 VAL 26 76.971 1.852 4.299 225 3HG2 VAL 26 HG23 VAL 26 76.980 3.136 5.508 226 H LYS 27 HN LYS 27 75.860 3.278 1.062 227 HA LYS 27 HA LYS 27 73.308 1.968 1.616 228 1HB LYS 27 HB2 LYS 27 75.202 1.755 -0.746 229 2HB LYS 27 HB1 LYS 27 73.587 1.047 -0.681 230 1HG LYS 27 HG2 LYS 27 72.606 3.285 -0.363 231 2HG LYS 27 HG1 LYS 27 74.217 4.001 -0.408 232 1HD LYS 27 HD2 LYS 27 74.534 3.122 -2.703 233 2HD LYS 27 HD1 LYS 27 72.901 2.454 -2.660 234 1HE LYS 27 HE2 LYS 27 73.520 5.391 -2.254 235 2HE LYS 27 HE1 LYS 27 73.063 4.693 -3.809 236 1HZ LYS 27 HZ1 LYS 27 71.451 4.655 -1.316 237 2HZ LYS 27 HZ2 LYS 27 71.020 3.872 -2.761 238 3HZ LYS 27 HZ3 LYS 27 71.130 5.567 -2.709 239 H TYR 28 HN TYR 28 72.982 -0.304 1.780 240 HA TYR 28 HA TYR 28 75.005 -1.753 3.196 241 1HB TYR 28 HB2 TYR 28 72.512 -2.725 1.766 242 2HB TYR 28 HB1 TYR 28 73.500 -3.726 2.830 243 HD1 TYR 28 HD1 TYR 28 73.226 -3.644 5.177 244 HD2 TYR 28 HD2 TYR 28 71.509 -0.568 2.718 245 HE1 TYR 28 HE1 TYR 28 72.027 -2.736 7.149 246 HE2 TYR 28 HE2 TYR 28 70.311 0.340 4.691 247 HH TYR 28 HH TYR 28 70.776 0.240 7.328 248 H ALA 29 HN ALA 29 73.929 -1.860 -0.196 249 HA ALA 29 HA ALA 29 75.475 -4.040 -1.085 250 1HB ALA 29 HB1 ALA 29 74.693 -3.410 -3.108 251 2HB ALA 29 HB2 ALA 29 75.500 -1.845 -3.003 252 3HB ALA 29 HB3 ALA 29 73.903 -2.065 -2.287 253 H ASP 30 HN ASP 30 76.440 -0.718 -0.401 254 HA ASP 30 HA ASP 30 79.003 -0.776 -1.646 255 1HB ASP 30 HB2 ASP 30 77.782 1.236 -0.618 256 2HB ASP 30 HB1 ASP 30 78.393 0.672 0.937 257 H LEU 31 HN LEU 31 77.936 -1.792 1.589 258 HA LEU 31 HA LEU 31 80.526 -2.389 2.633 259 1HB LEU 31 HB2 LEU 31 77.735 -3.312 3.257 260 2HB LEU 31 HB1 LEU 31 79.107 -4.115 4.022 261 HG LEU 31 HG LEU 31 78.186 -2.200 5.365 262 1HD1 LEU 31 HD11 LEU 31 80.867 -1.220 4.636 263 2HD1 LEU 31 HD12 LEU 31 80.797 -2.956 4.940 264 3HD1 LEU 31 HD13 LEU 31 80.271 -1.822 6.184 265 1HD2 LEU 31 HD21 LEU 31 79.430 -0.440 3.245 266 2HD2 LEU 31 HD22 LEU 31 78.387 0.037 4.585 267 3HD2 LEU 31 HD23 LEU 31 77.715 -0.851 3.217 268 H LEU 32 HN LEU 32 78.164 -4.444 0.915 269 HA LEU 32 HA LEU 32 79.750 -6.824 0.961 270 1HB LEU 32 HB2 LEU 32 77.650 -5.877 -1.013 271 2HB LEU 32 HB1 LEU 32 78.333 -7.505 -0.998 272 HG LEU 32 HG LEU 32 76.938 -6.219 1.367 273 1HD1 LEU 32 HD11 LEU 32 75.821 -7.287 -1.008 274 2HD1 LEU 32 HD12 LEU 32 74.974 -6.873 0.484 275 3HD1 LEU 32 HD13 LEU 32 75.590 -8.508 0.244 276 1HD2 LEU 32 HD21 LEU 32 76.870 -8.909 1.754 277 2HD2 LEU 32 HD22 LEU 32 78.153 -7.873 2.382 278 3HD2 LEU 32 HD23 LEU 32 78.392 -8.760 0.876 279 H LYS 33 HN LYS 33 79.557 -4.146 -1.378 280 HA LYS 33 HA LYS 33 81.380 -5.316 -3.272 281 1HB LYS 33 HB2 LYS 33 80.577 -2.442 -2.738 282 2HB LYS 33 HB1 LYS 33 81.621 -2.925 -4.076 283 1HG LYS 33 HG2 LYS 33 79.853 -4.410 -4.934 284 2HG LYS 33 HG1 LYS 33 78.808 -3.951 -3.589 285 1HD LYS 33 HD2 LYS 33 78.836 -1.612 -4.341 286 2HD LYS 33 HD1 LYS 33 79.917 -2.041 -5.666 287 1HE LYS 33 HE2 LYS 33 78.207 -3.539 -6.599 288 2HE LYS 33 HE1 LYS 33 77.127 -3.156 -5.260 289 1HZ LYS 33 HZ1 LYS 33 77.570 -1.714 -7.649 290 2HZ LYS 33 HZ2 LYS 33 77.960 -0.738 -6.314 291 3HZ LYS 33 HZ3 LYS 33 76.416 -1.437 -6.436 292 H PHE 34 HN PHE 34 81.815 -3.259 -0.424 293 HA PHE 34 HA PHE 34 84.513 -2.520 -0.773 294 1HB PHE 34 HB2 PHE 34 83.335 -1.584 1.080 295 2HB PHE 34 HB1 PHE 34 82.923 -3.177 1.715 296 HD1 PHE 34 HD1 PHE 34 86.060 -1.431 0.598 297 HD2 PHE 34 HD2 PHE 34 84.110 -3.780 3.619 298 HE1 PHE 34 HE1 PHE 34 88.146 -1.437 1.938 299 HE2 PHE 34 HE2 PHE 34 86.196 -3.788 4.959 300 HZ PHE 34 HZ PHE 34 88.214 -2.616 4.119 301 H PHE 35 HN PHE 35 83.220 -5.455 0.820 302 HA PHE 35 HA PHE 35 85.753 -6.640 1.367 303 1HB PHE 35 HB2 PHE 35 82.986 -7.772 0.956 304 2HB PHE 35 HB1 PHE 35 84.368 -8.827 1.255 305 HD1 PHE 35 HD1 PHE 35 85.778 -8.433 3.342 306 HD2 PHE 35 HD2 PHE 35 81.949 -6.588 2.727 307 HE1 PHE 35 HE1 PHE 35 85.621 -7.952 5.771 308 HE2 PHE 35 HE2 PHE 35 81.791 -6.106 5.156 309 HZ PHE 35 HZ PHE 35 83.627 -6.789 6.677 310 H ASP 36 HN ASP 36 83.622 -6.868 -1.477 311 HA ASP 36 HA ASP 36 85.186 -8.804 -2.887 312 1HB ASP 36 HB2 ASP 36 83.150 -6.744 -3.676 313 2HB ASP 36 HB1 ASP 36 84.077 -7.560 -4.935 314 H PHE 37 HN PHE 37 85.309 -5.256 -2.781 315 HA PHE 37 HA PHE 37 87.249 -4.869 -4.821 316 1HB PHE 37 HB2 PHE 37 85.969 -3.032 -3.727 317 2HB PHE 37 HB1 PHE 37 86.921 -3.273 -2.262 318 HD1 PHE 37 HD1 PHE 37 89.142 -2.419 -2.066 319 HD2 PHE 37 HD2 PHE 37 87.120 -2.332 -5.855 320 HE1 PHE 37 HE1 PHE 37 90.932 -0.972 -2.989 321 HE2 PHE 37 HE2 PHE 37 88.910 -0.886 -6.777 322 HZ PHE 37 HZ PHE 37 90.817 -0.205 -5.343 323 H VAL 38 HN VAL 38 87.673 -5.428 -1.320 324 HA VAL 38 HA VAL 38 90.503 -5.247 -1.266 325 HB VAL 38 HB VAL 38 88.690 -7.032 0.388 326 1HG1 VAL 38 HG11 VAL 38 90.623 -7.818 1.244 327 2HG1 VAL 38 HG12 VAL 38 90.920 -6.197 1.873 328 3HG1 VAL 38 HG13 VAL 38 91.572 -6.667 0.303 329 1HG2 VAL 38 HG21 VAL 38 88.045 -5.155 1.459 330 2HG2 VAL 38 HG22 VAL 38 88.889 -4.211 0.231 331 3HG2 VAL 38 HG23 VAL 38 89.725 -4.681 1.711 332 H LYS 39 HN LYS 39 88.433 -8.134 -1.726 333 HA LYS 39 HA LYS 39 90.604 -9.951 -2.158 334 1HB LYS 39 HB2 LYS 39 87.720 -10.017 -3.092 335 2HB LYS 39 HB1 LYS 39 88.845 -11.362 -3.291 336 1HG LYS 39 HG2 LYS 39 89.189 -11.453 -0.856 337 2HG LYS 39 HG1 LYS 39 88.082 -10.095 -0.643 338 1HD LYS 39 HD2 LYS 39 86.253 -11.414 -1.629 339 2HD LYS 39 HD1 LYS 39 87.352 -12.773 -1.867 340 1HE LYS 39 HE2 LYS 39 87.749 -12.857 0.583 341 2HE LYS 39 HE1 LYS 39 86.594 -11.542 0.799 342 1HZ LYS 39 HZ1 LYS 39 86.085 -14.293 0.522 343 2HZ LYS 39 HZ2 LYS 39 85.371 -13.475 -0.785 344 3HZ LYS 39 HZ3 LYS 39 84.983 -13.037 0.810 345 H ASP 40 HN ASP 40 88.890 -7.729 -4.276 346 HA ASP 40 HA ASP 40 89.886 -8.786 -6.761 347 1HB ASP 40 HB2 ASP 40 88.898 -6.030 -5.980 348 2HB ASP 40 HB1 ASP 40 89.312 -6.484 -7.634 349 H THR 41 HN THR 41 91.365 -6.962 -4.241 350 HA THR 41 HA THR 41 93.200 -5.344 -5.638 351 HB THR 41 HB THR 41 93.903 -6.890 -3.134 352 HG1 THR 41 HG1 THR 41 91.905 -6.000 -2.773 353 1HG2 THR 41 HG21 THR 41 95.613 -5.433 -4.318 354 2HG2 THR 41 HG22 THR 41 95.285 -4.992 -2.641 355 3HG2 THR 41 HG23 THR 41 94.572 -4.056 -3.956 356 H CYS 42 HN CYS 42 93.579 -8.752 -4.624 357 HA CYS 42 HA CYS 42 95.788 -8.961 -6.632 358 1HB CYS 42 HB2 CYS 42 97.041 -9.397 -4.772 359 2HB CYS 42 HB1 CYS 42 95.630 -9.815 -3.798 360 HG CYS 42 HG CYS 42 96.440 -11.881 -5.957 361 HA PRO 43 HA PRO 43 93.498 -13.368 -6.146 362 1HB PRO 43 HB2 PRO 43 90.908 -12.098 -5.345 363 2HB PRO 43 HB1 PRO 43 91.576 -13.678 -4.893 364 1HG PRO 43 HG2 PRO 43 91.620 -11.548 -3.244 365 2HG PRO 43 HG1 PRO 43 92.863 -12.809 -3.228 366 1HD PRO 43 HD2 PRO 43 93.142 -9.999 -4.109 367 2HD PRO 43 HD1 PRO 43 94.365 -11.220 -3.701 368 H TRP 44 HN TRP 44 91.601 -10.453 -7.003 369 HA TRP 44 HA TRP 44 91.396 -11.519 -9.777 370 1HB TRP 44 HB2 TRP 44 89.066 -10.347 -8.226 371 2HB TRP 44 HB1 TRP 44 89.024 -10.941 -9.887 372 HD1 TRP 44 HD1 TRP 44 90.112 -13.645 -9.987 373 HE1 TRP 44 HE1 TRP 44 89.311 -15.612 -8.525 374 HE3 TRP 44 HE3 TRP 44 87.931 -11.066 -6.156 375 HZ2 TRP 44 HZ2 TRP 44 87.928 -16.035 -6.055 376 HZ3 TRP 44 HZ3 TRP 44 86.881 -12.274 -4.264 377 HH2 TRP 44 HH2 TRP 44 86.877 -14.753 -4.209 378 H PHE 45 HN PHE 45 92.384 -9.972 -10.979 379 HA PHE 45 HA PHE 45 92.766 -7.264 -10.127 380 1HB PHE 45 HB2 PHE 45 93.604 -8.900 -12.290 381 2HB PHE 45 HB1 PHE 45 92.860 -7.464 -12.993 382 HD1 PHE 45 HD1 PHE 45 95.085 -8.300 -10.078 383 HD2 PHE 45 HD2 PHE 45 94.277 -5.662 -13.371 384 HE1 PHE 45 HE1 PHE 45 97.104 -6.977 -9.514 385 HE2 PHE 45 HE2 PHE 45 96.298 -4.339 -12.807 386 HZ PHE 45 HZ PHE 45 97.711 -4.997 -10.878 387 HA PRO 46 HA PRO 46 89.172 -6.485 -13.418 388 1HB PRO 46 HB2 PRO 46 87.545 -8.884 -12.740 389 2HB PRO 46 HB1 PRO 46 87.830 -8.121 -14.316 390 1HG PRO 46 HG2 PRO 46 88.988 -10.425 -13.665 391 2HG PRO 46 HG1 PRO 46 89.833 -9.201 -14.629 392 1HD PRO 46 HD2 PRO 46 90.224 -9.884 -11.730 393 2HD PRO 46 HD1 PRO 46 91.428 -9.356 -12.927 394 H GLN 47 HN GLN 47 87.781 -4.989 -12.566 395 HA GLN 47 HA GLN 47 86.554 -5.602 -9.906 396 1HB GLN 47 HB2 GLN 47 87.476 -2.941 -11.033 397 2HB GLN 47 HB1 GLN 47 86.606 -3.136 -9.510 398 1HG GLN 47 HG2 GLN 47 88.415 -4.608 -8.676 399 2HG GLN 47 HG1 GLN 47 89.295 -4.366 -10.186 400 1HE2 GLN 47 HE21 GLN 47 90.860 -3.507 -8.287 401 2HE2 GLN 47 HE22 GLN 47 90.766 -1.836 -8.002 402 H GLU 48 HN GLU 48 84.348 -5.437 -9.796 403 HA GLU 48 HA GLU 48 82.922 -3.896 -11.899 404 1HB GLU 48 HB2 GLU 48 82.387 -6.802 -11.214 405 2HB GLU 48 HB1 GLU 48 81.328 -5.799 -12.207 406 1HG GLU 48 HG2 GLU 48 84.249 -6.322 -12.827 407 2HG GLU 48 HG1 GLU 48 82.906 -7.202 -13.557 408 H GLY 49 HN GLY 49 81.346 -2.681 -10.971 409 1HA GLY 49 HA2 GLY 49 79.301 -3.026 -9.378 410 2HA GLY 49 HA1 GLY 49 80.553 -3.347 -8.178 411 H THR 50 HN THR 50 78.554 -1.117 -8.329 412 HA THR 50 HA THR 50 80.238 1.250 -8.856 413 HB THR 50 HB THR 50 77.369 0.947 -7.922 414 HG1 THR 50 HG1 THR 50 78.524 0.849 -10.279 415 1HG2 THR 50 HG21 THR 50 77.435 3.492 -8.598 416 2HG2 THR 50 HG22 THR 50 79.151 3.340 -8.222 417 3HG2 THR 50 HG23 THR 50 77.943 2.997 -6.984 418 H ILE 51 HN ILE 51 81.008 2.631 -7.233 419 HA ILE 51 HA ILE 51 80.714 1.595 -4.440 420 HB ILE 51 HB ILE 51 83.035 1.672 -5.790 421 1HG1 ILE 51 HG12 ILE 51 82.802 0.779 -3.543 422 2HG1 ILE 51 HG11 ILE 51 84.150 1.915 -3.547 423 1HG2 ILE 51 HG21 ILE 51 82.942 4.355 -4.384 424 2HG2 ILE 51 HG22 ILE 51 82.749 4.164 -6.127 425 3HG2 ILE 51 HG23 ILE 51 84.262 3.700 -5.351 426 1HD1 ILE 51 HD11 ILE 51 82.934 2.535 -1.628 427 2HD1 ILE 51 HD12 ILE 51 81.380 2.294 -2.427 428 3HD1 ILE 51 HD13 ILE 51 82.381 3.683 -2.847 429 H ASP 52 HN ASP 52 79.850 3.010 -2.989 430 HA ASP 52 HA ASP 52 78.912 5.605 -3.867 431 1HB ASP 52 HB2 ASP 52 77.804 4.134 -2.121 432 2HB ASP 52 HB1 ASP 52 79.096 4.602 -1.015 433 H ILE 53 HN ILE 53 79.837 7.612 -3.531 434 HA ILE 53 HA ILE 53 82.643 7.774 -2.962 435 HB ILE 53 HB ILE 53 80.637 10.041 -2.816 436 1HG1 ILE 53 HG12 ILE 53 82.139 9.053 -5.257 437 2HG1 ILE 53 HG11 ILE 53 80.461 8.628 -4.916 438 1HG2 ILE 53 HG21 ILE 53 83.521 10.070 -3.726 439 2HG2 ILE 53 HG22 ILE 53 83.059 10.355 -2.049 440 3HG2 ILE 53 HG23 ILE 53 82.501 11.448 -3.316 441 1HD1 ILE 53 HD11 ILE 53 81.427 11.492 -5.054 442 2HD1 ILE 53 HD12 ILE 53 79.760 10.915 -5.046 443 3HD1 ILE 53 HD13 ILE 53 80.785 10.632 -6.453 444 H LYS 54 HN LYS 54 79.806 7.911 -0.937 445 HA LYS 54 HA LYS 54 80.959 9.287 1.300 446 1HB LYS 54 HB2 LYS 54 78.736 7.229 1.152 447 2HB LYS 54 HB1 LYS 54 79.143 8.136 2.609 448 1HG LYS 54 HG2 LYS 54 78.713 10.252 1.429 449 2HG LYS 54 HG1 LYS 54 78.327 9.359 -0.044 450 1HD LYS 54 HD2 LYS 54 76.463 8.238 1.122 451 2HD LYS 54 HD1 LYS 54 76.844 9.136 2.593 452 1HE LYS 54 HE2 LYS 54 76.192 10.482 -0.040 453 2HE LYS 54 HE1 LYS 54 74.976 10.128 1.189 454 1HZ LYS 54 HZ1 LYS 54 76.382 12.385 1.109 455 2HZ LYS 54 HZ2 LYS 54 77.371 11.462 2.136 456 3HZ LYS 54 HZ3 LYS 54 75.743 11.733 2.538 457 H PHE 55 HN PHE 55 80.899 5.868 0.350 458 HA PHE 55 HA PHE 55 82.289 5.043 2.799 459 1HB PHE 55 HB2 PHE 55 80.620 3.621 1.450 460 2HB PHE 55 HB1 PHE 55 81.935 3.383 0.299 461 HD1 PHE 55 HD1 PHE 55 80.877 2.854 3.818 462 HD2 PHE 55 HD2 PHE 55 83.790 1.947 0.794 463 HE1 PHE 55 HE1 PHE 55 81.830 1.082 5.268 464 HE2 PHE 55 HE2 PHE 55 84.744 0.175 2.243 465 HZ PHE 55 HZ PHE 55 83.764 -0.257 4.480 466 H TRP 56 HN TRP 56 83.151 6.198 -0.336 467 HA TRP 56 HA TRP 56 85.671 4.923 -0.690 468 1HB TRP 56 HB2 TRP 56 84.829 6.176 -2.528 469 2HB TRP 56 HB1 TRP 56 84.610 7.621 -1.542 470 HD1 TRP 56 HD1 TRP 56 87.713 5.343 -1.912 471 HE1 TRP 56 HE1 TRP 56 89.716 6.821 -2.579 472 HE3 TRP 56 HE3 TRP 56 85.372 9.861 -2.338 473 HZ2 TRP 56 HZ2 TRP 56 90.255 9.558 -3.210 474 HZ3 TRP 56 HZ3 TRP 56 86.652 11.885 -2.972 475 HH2 TRP 56 HH2 TRP 56 89.089 11.740 -3.409 476 H ARG 57 HN ARG 57 84.751 7.797 1.182 477 HA ARG 57 HA ARG 57 87.347 8.722 1.830 478 1HB ARG 57 HB2 ARG 57 84.934 8.732 3.668 479 2HB ARG 57 HB1 ARG 57 86.316 9.829 3.729 480 1HG ARG 57 HG2 ARG 57 84.488 9.584 1.326 481 2HG ARG 57 HG1 ARG 57 84.269 10.790 2.595 482 1HD ARG 57 HD2 ARG 57 86.697 11.474 2.161 483 2HD ARG 57 HD1 ARG 57 86.605 10.492 0.700 484 HE ARG 57 HE ARG 57 84.442 12.453 0.964 485 1HH1 ARG 57 HH21 ARG 57 87.622 11.713 -0.148 486 2HH1 ARG 57 HH22 ARG 57 87.627 12.947 -1.364 487 1HH2 ARG 57 HH11 ARG 57 84.432 14.068 -0.616 488 2HH2 ARG 57 HH12 ARG 57 85.822 14.280 -1.628 489 H ARG 58 HN ARG 58 85.336 6.260 3.446 490 HA ARG 58 HA ARG 58 87.247 5.729 5.539 491 1HB ARG 58 HB2 ARG 58 84.958 4.109 4.396 492 2HB ARG 58 HB1 ARG 58 85.927 3.568 5.768 493 1HG ARG 58 HG2 ARG 58 85.302 5.535 7.052 494 2HG ARG 58 HG1 ARG 58 84.448 6.212 5.666 495 1HD ARG 58 HD2 ARG 58 82.852 5.163 7.211 496 2HD ARG 58 HD1 ARG 58 82.903 4.273 5.689 497 HE ARG 58 HE ARG 58 84.768 3.163 7.595 498 1HH1 ARG 58 HH21 ARG 58 81.445 3.412 6.710 499 2HH1 ARG 58 HH22 ARG 58 81.007 1.889 7.412 500 1HH2 ARG 58 HH11 ARG 58 84.216 1.175 8.517 501 2HH2 ARG 58 HH12 ARG 58 82.576 0.622 8.434 502 H VAL 59 HN VAL 59 86.656 4.304 2.340 503 HA VAL 59 HA VAL 59 88.483 2.126 2.577 504 HB VAL 59 HB VAL 59 87.491 3.708 0.197 505 1HG1 VAL 59 HG11 VAL 59 89.534 1.517 0.373 506 2HG1 VAL 59 HG12 VAL 59 89.497 2.926 -0.687 507 3HG1 VAL 59 HG13 VAL 59 88.437 1.554 -1.008 508 1HG2 VAL 59 HG21 VAL 59 86.993 0.821 0.954 509 2HG2 VAL 59 HG22 VAL 59 86.074 1.824 -0.167 510 3HG2 VAL 59 HG23 VAL 59 85.989 2.136 1.566 511 H GLY 60 HN GLY 60 88.956 5.441 1.335 512 1HA GLY 60 HA2 GLY 60 91.670 5.201 0.591 513 2HA GLY 60 HA1 GLY 60 90.925 6.703 1.138 514 H ASP 61 HN ASP 61 90.302 6.162 3.755 515 HA ASP 61 HA ASP 61 92.849 6.408 5.058 516 1HB ASP 61 HB2 ASP 61 90.007 6.111 5.980 517 2HB ASP 61 HB1 ASP 61 91.315 5.941 7.152 518 H CYS 62 HN CYS 62 90.660 3.691 4.527 519 HA CYS 62 HA CYS 62 91.971 1.890 6.360 520 1HB CYS 62 HB2 CYS 62 90.283 1.322 3.903 521 2HB CYS 62 HB1 CYS 62 90.757 0.118 5.101 522 HG CYS 62 HG CYS 62 89.479 2.015 6.795 523 H PHE 63 HN PHE 63 92.127 2.157 2.787 524 HA PHE 63 HA PHE 63 94.244 0.251 2.498 525 1HB PHE 63 HB2 PHE 63 93.038 2.383 0.784 526 2HB PHE 63 HB1 PHE 63 94.606 1.730 0.308 527 HD1 PHE 63 HD1 PHE 63 91.500 0.263 1.830 528 HD2 PHE 63 HD2 PHE 63 94.402 0.091 -1.333 529 HE1 PHE 63 HE1 PHE 63 90.382 -1.752 0.915 530 HE2 PHE 63 HE2 PHE 63 93.284 -1.925 -2.248 531 HZ PHE 63 HZ PHE 63 91.274 -2.846 -1.124 532 H GLN 64 HN GLN 64 94.266 3.803 2.792 533 HA GLN 64 HA GLN 64 97.080 4.149 2.478 534 1HB GLN 64 HB2 GLN 64 95.474 6.028 2.435 535 2HB GLN 64 HB1 GLN 64 95.144 5.781 4.151 536 1HG GLN 64 HG2 GLN 64 97.443 6.303 4.726 537 2HG GLN 64 HG1 GLN 64 97.891 6.386 3.021 538 1HE2 GLN 64 HE21 GLN 64 98.236 8.626 4.811 539 2HE2 GLN 64 HE22 GLN 64 97.189 9.863 4.306 540 H ASP 65 HN ASP 65 95.116 3.215 5.252 541 HA ASP 65 HA ASP 65 97.127 3.579 7.262 542 1HB ASP 65 HB2 ASP 65 94.764 3.220 7.835 543 2HB ASP 65 HB1 ASP 65 94.831 1.598 7.148 544 H TYR 66 HN TYR 66 96.229 0.744 5.286 545 HA TYR 66 HA TYR 66 98.303 -0.936 6.416 546 1HB TYR 66 HB2 TYR 66 96.616 -1.151 3.911 547 2HB TYR 66 HB1 TYR 66 97.788 -2.380 4.388 548 HD1 TYR 66 HD1 TYR 66 97.591 -3.286 6.833 549 HD2 TYR 66 HD2 TYR 66 94.432 -1.241 4.763 550 HE1 TYR 66 HE1 TYR 66 95.933 -4.267 8.394 551 HE2 TYR 66 HE2 TYR 66 92.773 -2.223 6.324 552 HH TYR 66 HH TYR 66 93.757 -4.560 8.816 553 H TYR 67 HN TYR 67 98.126 1.339 3.755 554 HA TYR 67 HA TYR 67 100.404 0.485 2.277 555 1HB TYR 67 HB2 TYR 67 98.936 2.157 1.340 556 2HB TYR 67 HB1 TYR 67 99.225 3.245 2.699 557 HD1 TYR 67 HD1 TYR 67 101.220 1.300 0.177 558 HD2 TYR 67 HD2 TYR 67 100.754 4.964 2.369 559 HE1 TYR 67 HE1 TYR 67 103.184 2.254 -1.001 560 HE2 TYR 67 HE2 TYR 67 102.718 5.918 1.191 561 HH TYR 67 HH TYR 67 104.635 5.251 -0.021 562 H ASN 68 HN ASN 68 100.183 2.977 4.846 563 HA ASN 68 HA ASN 68 103.044 3.348 4.974 564 1HB ASN 68 HB2 ASN 68 100.859 3.999 6.977 565 2HB ASN 68 HB1 ASN 68 102.533 4.539 7.113 566 1HD2 ASN 68 HD21 ASN 68 103.099 5.203 4.423 567 2HD2 ASN 68 HD22 ASN 68 102.099 6.489 3.944 568 H THR 69 HN THR 69 100.746 1.277 6.687 569 HA THR 69 HA THR 69 102.497 0.415 8.771 570 HB THR 69 HB THR 69 100.353 -1.275 7.461 571 HG1 THR 69 HG1 THR 69 99.429 0.685 7.926 572 1HG2 THR 69 HG21 THR 69 100.132 -2.203 9.723 573 2HG2 THR 69 HG22 THR 69 101.382 -1.104 10.307 574 3HG2 THR 69 HG23 THR 69 101.792 -2.371 9.151 575 H PHE 70 HN PHE 70 101.861 -0.933 5.528 576 HA PHE 70 HA PHE 70 104.287 -2.647 5.899 577 1HB PHE 70 HB2 PHE 70 101.806 -3.106 4.215 578 2HB PHE 70 HB1 PHE 70 103.246 -4.123 4.151 579 HD1 PHE 70 HD1 PHE 70 103.908 -5.504 6.081 580 HD2 PHE 70 HD2 PHE 70 100.316 -3.148 6.132 581 HE1 PHE 70 HE1 PHE 70 103.105 -6.771 8.055 582 HE2 PHE 70 HE2 PHE 70 99.513 -4.415 8.106 583 HZ PHE 70 HZ PHE 70 100.906 -6.226 9.068 584 H GLY 71 HN GLY 71 102.379 -0.920 3.412 585 1HA GLY 71 HA2 GLY 71 103.966 0.758 2.175 586 2HA GLY 71 HA1 GLY 71 104.860 -0.710 1.776 587 HA PRO 72 HA PRO 72 101.724 -0.143 -1.553 588 1HB PRO 72 HB2 PRO 72 103.530 -0.648 -3.603 589 2HB PRO 72 HB1 PRO 72 103.123 0.961 -2.985 590 1HG PRO 72 HG2 PRO 72 105.557 -0.603 -2.626 591 2HG PRO 72 HG1 PRO 72 105.278 1.127 -2.376 592 1HD PRO 72 HD2 PRO 72 105.516 -0.895 -0.407 593 2HD PRO 72 HD1 PRO 72 105.123 0.821 -0.150 594 H GLU 73 HN GLU 73 103.829 -2.682 -0.588 595 HA GLU 73 HA GLU 73 103.161 -4.676 -2.527 596 1HB GLU 73 HB2 GLU 73 103.956 -4.902 0.389 597 2HB GLU 73 HB1 GLU 73 103.782 -6.291 -0.683 598 1HG GLU 73 HG2 GLU 73 105.597 -3.938 -1.271 599 2HG GLU 73 HG1 GLU 73 106.144 -5.426 -0.498 600 H LYS 74 HN LYS 74 101.757 -4.022 0.703 601 HA LYS 74 HA LYS 74 99.640 -5.936 0.454 602 1HB LYS 74 HB2 LYS 74 99.862 -3.401 2.104 603 2HB LYS 74 HB1 LYS 74 98.550 -4.569 2.270 604 1HG LYS 74 HG2 LYS 74 101.488 -5.264 2.557 605 2HG LYS 74 HG1 LYS 74 100.413 -4.924 3.915 606 1HD LYS 74 HD2 LYS 74 98.898 -6.757 2.712 607 2HD LYS 74 HD1 LYS 74 100.460 -7.282 2.079 608 1HE LYS 74 HE2 LYS 74 101.348 -7.372 4.396 609 2HE LYS 74 HE1 LYS 74 99.757 -6.916 5.006 610 1HZ LYS 74 HZ1 LYS 74 98.828 -8.907 4.302 611 2HZ LYS 74 HZ2 LYS 74 100.340 -9.383 4.912 612 3HZ LYS 74 HZ3 LYS 74 100.100 -9.252 3.236 613 H VAL 75 HN VAL 75 99.847 -2.479 -0.344 614 HA VAL 75 HA VAL 75 97.512 -2.843 -2.137 615 HB VAL 75 HB VAL 75 96.743 -0.504 -1.229 616 1HG1 VAL 75 HG11 VAL 75 95.377 -1.680 0.524 617 2HG1 VAL 75 HG12 VAL 75 96.374 -3.113 0.271 618 3HG1 VAL 75 HG13 VAL 75 95.370 -2.495 -1.040 619 1HG2 VAL 75 HG21 VAL 75 97.397 0.072 0.944 620 2HG2 VAL 75 HG22 VAL 75 98.904 -0.550 0.271 621 3HG2 VAL 75 HG23 VAL 75 97.922 -1.568 1.325 622 HA PRO 76 HA PRO 76 101.087 -0.650 -4.119 623 1HB PRO 76 HB2 PRO 76 99.599 -1.734 -6.460 624 2HB PRO 76 HB1 PRO 76 101.336 -1.788 -6.103 625 1HG PRO 76 HG2 PRO 76 99.817 -3.950 -5.848 626 2HG PRO 76 HG1 PRO 76 101.132 -3.607 -4.712 627 1HD PRO 76 HD2 PRO 76 98.182 -3.290 -4.346 628 2HD PRO 76 HD1 PRO 76 99.418 -3.787 -3.171 629 H VAL 77 HN VAL 77 101.068 1.272 -5.439 630 HA VAL 77 HA VAL 77 98.912 3.050 -5.091 631 HB VAL 77 HB VAL 77 101.173 3.785 -5.748 632 1HG1 VAL 77 HG11 VAL 77 101.973 3.466 -8.025 633 2HG1 VAL 77 HG12 VAL 77 100.473 2.653 -8.473 634 3HG1 VAL 77 HG13 VAL 77 101.583 1.890 -7.334 635 1HG2 VAL 77 HG21 VAL 77 98.910 5.006 -6.389 636 2HG2 VAL 77 HG22 VAL 77 99.419 4.623 -8.034 637 3HG2 VAL 77 HG23 VAL 77 100.450 5.611 -6.998 638 H THR 78 HN THR 78 98.966 0.302 -7.003 639 HA THR 78 HA THR 78 97.550 1.118 -9.339 640 HB THR 78 HB THR 78 96.892 -1.237 -9.540 641 HG1 THR 78 HG1 THR 78 96.931 -2.560 -7.858 642 1HG2 THR 78 HG21 THR 78 99.679 -0.671 -8.534 643 2HG2 THR 78 HG22 THR 78 99.139 -0.877 -10.200 644 3HG2 THR 78 HG23 THR 78 99.212 -2.267 -9.118 645 H ALA 79 HN ALA 79 96.399 0.127 -6.121 646 HA ALA 79 HA ALA 79 93.629 0.053 -6.659 647 1HB ALA 79 HB1 ALA 79 94.740 -0.588 -4.489 648 2HB ALA 79 HB2 ALA 79 93.301 0.412 -4.287 649 3HB ALA 79 HB3 ALA 79 94.903 1.131 -4.129 650 H PHE 80 HN PHE 80 95.664 2.833 -5.727 651 HA PHE 80 HA PHE 80 93.573 4.770 -5.686 652 1HB PHE 80 HB2 PHE 80 96.528 5.035 -6.308 653 2HB PHE 80 HB1 PHE 80 95.445 6.415 -6.122 654 HD1 PHE 80 HD1 PHE 80 94.866 7.228 -3.978 655 HD2 PHE 80 HD2 PHE 80 96.714 3.371 -4.373 656 HE1 PHE 80 HE1 PHE 80 95.114 7.095 -1.514 657 HE2 PHE 80 HE2 PHE 80 96.962 3.238 -1.909 658 HZ PHE 80 HZ PHE 80 96.162 5.099 -0.480 659 H SER 81 HN SER 81 95.692 3.665 -8.328 660 HA SER 81 HA SER 81 94.711 5.486 -10.303 661 1HB SER 81 HB2 SER 81 95.828 2.690 -10.660 662 2HB SER 81 HB1 SER 81 95.639 3.882 -11.942 663 HG SER 81 HG SER 81 97.278 4.031 -9.630 664 H TYR 82 HN TYR 82 93.728 2.149 -9.487 665 HA TYR 82 HA TYR 82 91.657 1.968 -11.452 666 1HB TYR 82 HB2 TYR 82 92.252 0.546 -8.873 667 2HB TYR 82 HB1 TYR 82 90.709 0.270 -9.679 668 HD1 TYR 82 HD1 TYR 82 94.130 -0.689 -9.538 669 HD2 TYR 82 HD2 TYR 82 90.827 -0.248 -12.248 670 HE1 TYR 82 HE1 TYR 82 95.232 -2.236 -11.133 671 HE2 TYR 82 HE2 TYR 82 91.930 -1.794 -13.844 672 HH TYR 82 HH TYR 82 93.594 -3.309 -14.079 673 H TRP 83 HN TRP 83 91.626 3.078 -8.069 674 HA TRP 83 HA TRP 83 88.812 3.504 -7.873 675 1HB TRP 83 HB2 TRP 83 90.824 3.700 -6.106 676 2HB TRP 83 HB1 TRP 83 90.655 5.409 -6.506 677 HD1 TRP 83 HD1 TRP 83 88.399 6.625 -5.858 678 HE1 TRP 83 HE1 TRP 83 86.493 5.997 -4.237 679 HE3 TRP 83 HE3 TRP 83 89.468 1.687 -5.109 680 HZ2 TRP 83 HZ2 TRP 83 85.548 3.704 -2.813 681 HZ3 TRP 83 HZ3 TRP 83 88.049 0.306 -3.617 682 HH2 TRP 83 HH2 TRP 83 86.093 1.307 -2.469 683 H ASN 84 HN ASN 84 91.428 5.549 -9.112 684 HA ASN 84 HA ASN 84 89.991 7.962 -9.437 685 1HB ASN 84 HB2 ASN 84 92.125 6.777 -11.241 686 2HB ASN 84 HB1 ASN 84 91.605 8.462 -11.254 687 1HD2 ASN 84 HD21 ASN 84 91.284 8.616 -8.306 688 2HD2 ASN 84 HD22 ASN 84 92.853 8.627 -7.659 689 H LEU 85 HN LEU 85 90.249 5.160 -11.626 690 HA LEU 85 HA LEU 85 88.561 6.244 -13.677 691 1HB LEU 85 HB2 LEU 85 89.115 3.359 -12.921 692 2HB LEU 85 HB1 LEU 85 88.334 3.879 -14.415 693 HG LEU 85 HG LEU 85 91.115 4.704 -13.532 694 1HD1 LEU 85 HD11 LEU 85 91.616 2.605 -14.260 695 2HD1 LEU 85 HD12 LEU 85 91.387 3.298 -15.865 696 3HD1 LEU 85 HD13 LEU 85 90.069 2.421 -15.087 697 1HD2 LEU 85 HD21 LEU 85 90.967 5.229 -16.183 698 2HD2 LEU 85 HD22 LEU 85 90.556 6.421 -14.949 699 3HD2 LEU 85 HD23 LEU 85 89.281 5.492 -15.737 700 H ILE 86 HN ILE 86 87.884 4.268 -10.801 701 HA ILE 86 HA ILE 86 85.110 3.834 -11.317 702 HB ILE 86 HB ILE 86 86.765 3.947 -8.798 703 1HG1 ILE 86 HG12 ILE 86 86.627 2.004 -10.584 704 2HG1 ILE 86 HG11 ILE 86 86.608 1.620 -8.862 705 1HG2 ILE 86 HG21 ILE 86 84.600 2.983 -7.736 706 2HG2 ILE 86 HG22 ILE 86 83.770 3.748 -9.092 707 3HG2 ILE 86 HG23 ILE 86 84.703 4.729 -7.962 708 1HD1 ILE 86 HD11 ILE 86 84.035 2.128 -10.342 709 2HD1 ILE 86 HD12 ILE 86 84.290 1.231 -8.845 710 3HD1 ILE 86 HD13 ILE 86 84.796 0.537 -10.385 711 H LYS 87 HN LYS 87 86.814 6.482 -9.660 712 HA LYS 87 HA LYS 87 84.536 7.896 -8.736 713 1HB LYS 87 HB2 LYS 87 86.892 8.442 -8.120 714 2HB LYS 87 HB1 LYS 87 87.140 9.080 -9.746 715 1HG LYS 87 HG2 LYS 87 85.376 10.745 -9.391 716 2HG LYS 87 HG1 LYS 87 85.057 10.086 -7.786 717 1HD LYS 87 HD2 LYS 87 87.369 10.638 -7.103 718 2HD LYS 87 HD1 LYS 87 87.671 11.321 -8.701 719 1HE LYS 87 HE2 LYS 87 85.854 12.960 -8.339 720 2HE LYS 87 HE1 LYS 87 85.575 12.288 -6.733 721 1HZ LYS 87 HZ1 LYS 87 87.489 13.172 -5.923 722 2HZ LYS 87 HZ2 LYS 87 87.153 14.339 -7.112 723 3HZ LYS 87 HZ3 LYS 87 88.295 13.117 -7.414 724 H GLU 88 HN GLU 88 86.169 7.958 -11.893 725 HA GLU 88 HA GLU 88 84.523 10.083 -12.964 726 1HB GLU 88 HB2 GLU 88 86.203 7.948 -14.310 727 2HB GLU 88 HB1 GLU 88 85.405 9.260 -15.177 728 1HG GLU 88 HG2 GLU 88 86.669 10.923 -13.940 729 2HG GLU 88 HG1 GLU 88 87.375 9.676 -12.911 730 H LEU 89 HN LEU 89 84.311 6.550 -12.937 731 HA LEU 89 HA LEU 89 82.150 6.341 -14.816 732 1HB LEU 89 HB2 LEU 89 83.385 4.574 -12.753 733 2HB LEU 89 HB1 LEU 89 81.763 4.156 -13.306 734 HG LEU 89 HG LEU 89 82.624 4.346 -15.678 735 1HD1 LEU 89 HD11 LEU 89 85.380 4.085 -14.512 736 2HD1 LEU 89 HD12 LEU 89 84.688 5.689 -14.748 737 3HD1 LEU 89 HD13 LEU 89 84.899 4.609 -16.126 738 1HD2 LEU 89 HD21 LEU 89 83.025 2.274 -13.721 739 2HD2 LEU 89 HD22 LEU 89 84.364 2.250 -14.869 740 3HD2 LEU 89 HD23 LEU 89 82.705 2.105 -15.447 741 H ILE 90 HN ILE 90 82.232 6.620 -11.265 742 HA ILE 90 HA ILE 90 79.319 6.523 -11.061 743 HB ILE 90 HB ILE 90 79.694 6.997 -8.684 744 1HG1 ILE 90 HG12 ILE 90 82.513 7.569 -9.634 745 2HG1 ILE 90 HG11 ILE 90 81.424 8.659 -8.775 746 1HG2 ILE 90 HG21 ILE 90 80.830 4.997 -8.151 747 2HG2 ILE 90 HG22 ILE 90 81.915 5.142 -9.535 748 3HG2 ILE 90 HG23 ILE 90 80.224 4.707 -9.781 749 1HD1 ILE 90 HD11 ILE 90 82.902 6.257 -7.718 750 2HD1 ILE 90 HD12 ILE 90 81.448 6.844 -6.909 751 3HD1 ILE 90 HD13 ILE 90 82.853 7.897 -7.071 752 H ASP 91 HN ASP 91 81.710 8.959 -11.619 753 HA ASP 91 HA ASP 91 80.344 11.237 -10.574 754 1HB ASP 91 HB2 ASP 91 82.700 11.303 -11.318 755 2HB ASP 91 HB1 ASP 91 82.177 11.061 -12.985 756 H LYS 92 HN LYS 92 80.335 9.853 -13.876 757 HA LYS 92 HA LYS 92 78.401 11.673 -14.935 758 1HB LYS 92 HB2 LYS 92 79.153 8.845 -15.717 759 2HB LYS 92 HB1 LYS 92 78.024 9.834 -16.643 760 1HG LYS 92 HG2 LYS 92 79.773 11.570 -16.904 761 2HG LYS 92 HG1 LYS 92 80.903 10.548 -16.014 762 1HD LYS 92 HD2 LYS 92 80.715 8.802 -17.718 763 2HD LYS 92 HD1 LYS 92 79.519 9.759 -18.594 764 1HE LYS 92 HE2 LYS 92 81.212 11.563 -18.877 765 2HE LYS 92 HE1 LYS 92 82.405 10.536 -18.081 766 1HZ LYS 92 HZ1 LYS 92 80.967 9.952 -20.611 767 2HZ LYS 92 HZ2 LYS 92 81.990 8.855 -19.814 768 3HZ LYS 92 HZ3 LYS 92 82.617 10.304 -20.441 769 H LYS 93 HN LYS 93 78.054 8.504 -13.353 770 HA LYS 93 HA LYS 93 75.175 8.420 -13.679 771 1HB LYS 93 HB2 LYS 93 77.067 6.932 -11.837 772 2HB LYS 93 HB1 LYS 93 75.334 6.613 -11.913 773 1HG LYS 93 HG2 LYS 93 75.536 6.127 -14.331 774 2HG LYS 93 HG1 LYS 93 77.274 6.412 -14.235 775 1HD LYS 93 HD2 LYS 93 77.501 4.575 -12.615 776 2HD LYS 93 HD1 LYS 93 75.760 4.296 -12.676 777 1HE LYS 93 HE2 LYS 93 75.939 3.818 -15.105 778 2HE LYS 93 HE1 LYS 93 77.687 4.039 -15.005 779 1HZ LYS 93 HZ1 LYS 93 76.026 1.860 -13.987 780 2HZ LYS 93 HZ2 LYS 93 77.394 2.294 -13.079 781 3HZ LYS 93 HZ3 LYS 93 77.565 1.808 -14.697 782 H GLU 94 HN GLU 94 73.590 9.142 -12.268 783 HA GLU 94 HA GLU 94 74.359 11.164 -10.321 784 1HB GLU 94 HB2 GLU 94 71.671 9.913 -10.965 785 2HB GLU 94 HB1 GLU 94 71.902 11.294 -9.891 786 1HG GLU 94 HG2 GLU 94 71.470 12.401 -11.878 787 2HG GLU 94 HG1 GLU 94 73.226 12.265 -11.978 788 H VAL 95 HN VAL 95 75.552 10.066 -8.698 789 HA VAL 95 HA VAL 95 74.020 8.022 -7.144 790 HB VAL 95 HB VAL 95 76.192 7.242 -8.046 791 1HG1 VAL 95 HG11 VAL 95 77.020 9.833 -7.430 792 2HG1 VAL 95 HG12 VAL 95 78.060 8.510 -7.957 793 3HG1 VAL 95 HG13 VAL 95 77.843 8.828 -6.236 794 1HG2 VAL 95 HG21 VAL 95 76.671 7.596 -5.110 795 2HG2 VAL 95 HG22 VAL 95 76.801 6.141 -6.098 796 3HG2 VAL 95 HG23 VAL 95 75.213 6.744 -5.622 797 H ASN 96 HN ASN 96 74.521 8.115 -4.724 798 HA ASN 96 HA ASN 96 73.782 10.643 -3.666 799 1HB ASN 96 HB2 ASN 96 73.901 8.142 -2.641 800 2HB ASN 96 HB1 ASN 96 75.344 8.836 -1.900 801 1HD2 ASN 96 HD21 ASN 96 74.161 11.599 -1.879 802 2HD2 ASN 96 HD22 ASN 96 73.012 11.589 -0.630 803 HA PRO 97 HA PRO 97 77.833 12.544 -4.298 804 1HB PRO 97 HB2 PRO 97 76.391 14.842 -3.099 805 2HB PRO 97 HB1 PRO 97 77.258 14.734 -4.643 806 1HG PRO 97 HG2 PRO 97 74.616 14.841 -4.583 807 2HG PRO 97 HG1 PRO 97 75.460 13.798 -5.740 808 1HD PRO 97 HD2 PRO 97 74.083 12.981 -3.189 809 2HD PRO 97 HD1 PRO 97 74.101 12.197 -4.783 810 H GLN 98 HN GLN 98 78.775 14.495 -2.586 811 HA GLN 98 HA GLN 98 79.616 12.986 -0.303 812 1HB GLN 98 HB2 GLN 98 79.721 15.961 -0.878 813 2HB GLN 98 HB1 GLN 98 80.514 15.198 0.501 814 1HG GLN 98 HG2 GLN 98 81.855 13.806 -0.992 815 2HG GLN 98 HG1 GLN 98 81.009 14.453 -2.397 816 1HE2 GLN 98 HE21 GLN 98 83.509 14.982 -2.815 817 2HE2 GLN 98 HE22 GLN 98 84.010 16.521 -2.303 818 H VAL 99 HN VAL 99 77.146 15.511 -0.716 819 HA VAL 99 HA VAL 99 76.051 14.697 1.944 820 HB VAL 99 HB VAL 99 76.327 17.489 0.799 821 1HG1 VAL 99 HG11 VAL 99 75.187 18.017 3.107 822 2HG1 VAL 99 HG12 VAL 99 74.553 16.378 2.957 823 3HG1 VAL 99 HG13 VAL 99 74.182 17.584 1.724 824 1HG2 VAL 99 HG21 VAL 99 77.984 15.977 2.453 825 2HG2 VAL 99 HG22 VAL 99 77.076 16.983 3.582 826 3HG2 VAL 99 HG23 VAL 99 78.014 17.733 2.289 827 H MET 100 HN MET 100 73.901 14.180 1.882 828 HA MET 100 HA MET 100 72.517 14.245 -0.688 829 1HB MET 100 HB2 MET 100 72.239 12.368 0.919 830 2HB MET 100 HB1 MET 100 71.476 13.480 2.056 831 1HG MET 100 HG2 MET 100 69.689 13.944 0.452 832 2HG MET 100 HG1 MET 100 70.468 12.910 -0.746 833 1HE MET 100 HE1 MET 100 68.282 11.869 3.080 834 2HE MET 100 HE2 MET 100 69.053 13.376 2.593 835 3HE MET 100 HE3 MET 100 70.024 12.084 3.294 Start of MODEL 7 1 1H MET 1 HT1 MET 1 74.969 -6.528 -2.877 2 2H MET 1 HT2 MET 1 74.961 -6.211 -1.208 3 3H MET 1 HT3 MET 1 74.073 -5.223 -2.268 4 HA MET 1 HA MET 1 73.277 -7.605 -0.972 5 1HB MET 1 HB2 MET 1 71.947 -5.592 -2.806 6 2HB MET 1 HB1 MET 1 71.071 -6.894 -2.000 7 1HG MET 1 HG2 MET 1 71.754 -6.054 0.188 8 2HG MET 1 HG1 MET 1 72.740 -4.804 -0.571 9 1HE MET 1 HE1 MET 1 69.501 -6.440 -0.104 10 2HE MET 1 HE2 MET 1 68.929 -5.956 -1.699 11 3HE MET 1 HE3 MET 1 68.235 -5.214 -0.259 12 H GLY 2 HN GLY 2 71.408 -8.805 -2.478 13 1HA GLY 2 HA2 GLY 2 71.016 -10.232 -4.320 14 2HA GLY 2 HA1 GLY 2 72.360 -9.453 -5.157 15 H GLN 3 HN GLN 3 73.082 -10.550 -1.990 16 HA GLN 3 HA GLN 3 74.282 -13.054 -3.095 17 1HB GLN 3 HB2 GLN 3 75.574 -11.012 -1.265 18 2HB GLN 3 HB1 GLN 3 76.237 -12.620 -1.559 19 1HG GLN 3 HG2 GLN 3 76.409 -12.148 -3.953 20 2HG GLN 3 HG1 GLN 3 75.664 -10.567 -3.716 21 1HE2 GLN 3 HE21 GLN 3 78.652 -12.036 -4.057 22 2HE2 GLN 3 HE22 GLN 3 79.613 -10.879 -3.271 23 H GLU 4 HN GLU 4 74.618 -14.730 -1.449 24 HA GLU 4 HA GLU 4 72.427 -14.853 0.443 25 1HB GLU 4 HB2 GLU 4 74.838 -16.636 0.004 26 2HB GLU 4 HB1 GLU 4 73.544 -17.002 1.146 27 1HG GLU 4 HG2 GLU 4 71.900 -17.015 -0.654 28 2HG GLU 4 HG1 GLU 4 73.128 -16.517 -1.818 29 H LEU 5 HN LEU 5 72.529 -14.713 2.714 30 HA LEU 5 HA LEU 5 74.815 -13.155 3.743 31 1HB LEU 5 HB2 LEU 5 72.163 -13.961 4.970 32 2HB LEU 5 HB1 LEU 5 73.387 -13.016 5.818 33 HG LEU 5 HG LEU 5 72.185 -12.210 3.156 34 1HD1 LEU 5 HD11 LEU 5 70.399 -12.108 4.745 35 2HD1 LEU 5 HD12 LEU 5 71.019 -10.462 4.607 36 3HD1 LEU 5 HD13 LEU 5 71.458 -11.457 5.996 37 1HD2 LEU 5 HD21 LEU 5 74.267 -11.144 4.983 38 2HD2 LEU 5 HD22 LEU 5 73.129 -9.954 4.350 39 3HD2 LEU 5 HD23 LEU 5 74.086 -10.936 3.241 40 H SER 6 HN SER 6 76.499 -14.671 3.943 41 HA SER 6 HA SER 6 76.074 -17.226 5.293 42 1HB SER 6 HB2 SER 6 78.305 -17.678 4.790 43 2HB SER 6 HB1 SER 6 77.894 -16.535 3.513 44 HG SER 6 HG SER 6 79.721 -15.739 4.397 45 H GLN 7 HN GLN 7 77.739 -17.683 7.194 46 HA GLN 7 HA GLN 7 76.896 -16.241 9.465 47 1HB GLN 7 HB2 GLN 7 79.437 -17.833 9.014 48 2HB GLN 7 HB1 GLN 7 78.910 -17.250 10.593 49 1HG GLN 7 HG2 GLN 7 76.830 -18.526 10.406 50 2HG GLN 7 HG1 GLN 7 77.280 -19.059 8.785 51 1HE2 GLN 7 HE21 GLN 7 76.994 -20.449 11.623 52 2HE2 GLN 7 HE22 GLN 7 78.388 -21.415 11.694 53 H HIS 8 HN HIS 8 79.885 -15.845 7.550 54 HA HIS 8 HA HIS 8 80.928 -13.681 9.121 55 1HB HIS 8 HB2 HIS 8 82.288 -14.997 7.507 56 2HB HIS 8 HB1 HIS 8 81.379 -14.272 6.179 57 HD2 HIS 8 HD2 HIS 8 82.183 -11.672 5.488 58 HE1 HIS 8 HE1 HIS 8 85.048 -11.186 8.554 59 HE2 HIS 8 HE2 HIS 8 84.086 -10.163 6.441 60 H GLU 9 HN GLU 9 78.884 -13.757 6.202 61 HA GLU 9 HA GLU 9 78.799 -10.944 5.764 62 1HB GLU 9 HB2 GLU 9 76.665 -13.031 5.213 63 2HB GLU 9 HB1 GLU 9 76.703 -11.407 4.526 64 1HG GLU 9 HG2 GLU 9 78.926 -13.439 4.188 65 2HG GLU 9 HG1 GLU 9 77.649 -13.166 3.000 66 H ARG 10 HN ARG 10 76.825 -13.057 7.828 67 HA ARG 10 HA ARG 10 74.905 -11.121 8.637 68 1HB ARG 10 HB2 ARG 10 76.056 -13.534 10.060 69 2HB ARG 10 HB1 ARG 10 74.740 -12.567 10.728 70 1HG ARG 10 HG2 ARG 10 73.409 -12.985 8.678 71 2HG ARG 10 HG1 ARG 10 74.715 -13.990 8.050 72 1HD ARG 10 HD2 ARG 10 74.484 -15.522 9.950 73 2HD ARG 10 HD1 ARG 10 73.220 -14.503 10.639 74 HE ARG 10 HE ARG 10 72.340 -15.145 8.058 75 1HH1 ARG 10 HH21 ARG 10 73.290 -16.767 10.946 76 2HH1 ARG 10 HH22 ARG 10 72.248 -18.125 10.686 77 1HH2 ARG 10 HH11 ARG 10 70.971 -16.909 7.700 78 2HH2 ARG 10 HH12 ARG 10 70.935 -18.205 8.847 79 H TYR 11 HN TYR 11 78.106 -11.919 9.985 80 HA TYR 11 HA TYR 11 78.010 -10.167 12.221 81 1HB TYR 11 HB2 TYR 11 79.800 -11.817 11.951 82 2HB TYR 11 HB1 TYR 11 80.383 -10.979 10.513 83 HD1 TYR 11 HD1 TYR 11 81.897 -9.176 10.695 84 HD2 TYR 11 HD2 TYR 11 79.750 -10.516 14.167 85 HE1 TYR 11 HE1 TYR 11 83.268 -7.681 12.121 86 HE2 TYR 11 HE2 TYR 11 81.122 -9.020 15.592 87 HH TYR 11 HH TYR 11 83.450 -6.760 14.175 88 H VAL 12 HN VAL 12 78.777 -9.565 8.818 89 HA VAL 12 HA VAL 12 79.804 -6.922 9.106 90 HB VAL 12 HB VAL 12 78.162 -8.070 6.824 91 1HG1 VAL 12 HG11 VAL 12 79.920 -5.629 7.120 92 2HG1 VAL 12 HG12 VAL 12 78.262 -5.714 6.525 93 3HG1 VAL 12 HG13 VAL 12 79.584 -6.345 5.544 94 1HG2 VAL 12 HG21 VAL 12 81.122 -8.099 7.469 95 2HG2 VAL 12 HG22 VAL 12 80.503 -8.392 5.843 96 3HG2 VAL 12 HG23 VAL 12 80.070 -9.480 7.162 97 H GLU 13 HN GLU 13 76.464 -8.086 8.643 98 HA GLU 13 HA GLU 13 75.183 -5.571 8.507 99 1HB GLU 13 HB2 GLU 13 74.070 -7.789 8.139 100 2HB GLU 13 HB1 GLU 13 74.116 -8.053 9.883 101 1HG GLU 13 HG2 GLU 13 71.946 -7.156 9.384 102 2HG GLU 13 HG1 GLU 13 72.869 -5.854 10.138 103 H GLN 14 HN GLN 14 75.946 -7.553 11.390 104 HA GLN 14 HA GLN 14 74.898 -5.644 13.269 105 1HB GLN 14 HB2 GLN 14 75.370 -8.037 13.818 106 2HB GLN 14 HB1 GLN 14 77.096 -7.692 13.698 107 1HG GLN 14 HG2 GLN 14 76.453 -7.567 16.036 108 2HG GLN 14 HG1 GLN 14 76.809 -5.935 15.466 109 1HE2 GLN 14 HE21 GLN 14 75.338 -4.655 16.646 110 2HE2 GLN 14 HE22 GLN 14 73.660 -4.909 16.668 111 H LEU 15 HN LEU 15 78.084 -6.121 11.794 112 HA LEU 15 HA LEU 15 79.523 -4.266 13.408 113 1HB LEU 15 HB2 LEU 15 80.689 -5.788 11.897 114 2HB LEU 15 HB1 LEU 15 79.914 -5.040 10.500 115 HG LEU 15 HG LEU 15 81.024 -2.911 10.989 116 1HD1 LEU 15 HD11 LEU 15 81.322 -2.717 13.275 117 2HD1 LEU 15 HD12 LEU 15 82.945 -3.229 12.811 118 3HD1 LEU 15 HD13 LEU 15 81.802 -4.403 13.462 119 1HD2 LEU 15 HD21 LEU 15 83.336 -4.742 11.239 120 2HD2 LEU 15 HD22 LEU 15 82.971 -3.555 9.986 121 3HD2 LEU 15 HD23 LEU 15 82.206 -5.144 9.946 122 H LYS 16 HN LYS 16 77.661 -3.832 10.409 123 HA LYS 16 HA LYS 16 78.241 -1.065 10.034 124 1HB LYS 16 HB2 LYS 16 77.148 -2.544 8.335 125 2HB LYS 16 HB1 LYS 16 75.681 -2.522 9.315 126 1HG LYS 16 HG2 LYS 16 75.576 -0.066 9.110 127 2HG LYS 16 HG1 LYS 16 77.043 -0.083 8.131 128 1HD LYS 16 HD2 LYS 16 75.900 -1.501 6.455 129 2HD LYS 16 HD1 LYS 16 74.428 -1.449 7.425 130 1HE LYS 16 HE2 LYS 16 74.321 0.988 7.180 131 2HE LYS 16 HE1 LYS 16 75.828 0.977 6.265 132 1HZ LYS 16 HZ1 LYS 16 74.833 -0.104 4.485 133 2HZ LYS 16 HZ2 LYS 16 73.643 1.005 4.975 134 3HZ LYS 16 HZ3 LYS 16 73.509 -0.633 5.403 135 H GLN 17 HN GLN 17 75.653 -2.700 11.857 136 HA GLN 17 HA GLN 17 74.131 -0.455 12.592 137 1HB GLN 17 HB2 GLN 17 74.821 -2.931 14.198 138 2HB GLN 17 HB1 GLN 17 73.603 -1.754 14.690 139 1HG GLN 17 HG2 GLN 17 72.378 -2.137 12.580 140 2HG GLN 17 HG1 GLN 17 73.591 -3.322 12.093 141 1HE2 GLN 17 HE21 GLN 17 72.691 -5.370 12.364 142 2HE2 GLN 17 HE22 GLN 17 71.796 -5.868 13.719 143 H ALA 18 HN ALA 18 76.961 -1.828 14.296 144 HA ALA 18 HA ALA 18 77.124 0.235 16.272 145 1HB ALA 18 HB1 ALA 18 79.622 -0.520 16.289 146 2HB ALA 18 HB2 ALA 18 79.088 -1.753 15.145 147 3HB ALA 18 HB3 ALA 18 78.388 -1.686 16.763 148 H LEU 19 HN LEU 19 78.439 -0.051 12.997 149 HA LEU 19 HA LEU 19 80.163 2.219 13.079 150 1HB LEU 19 HB2 LEU 19 79.819 0.394 11.224 151 2HB LEU 19 HB1 LEU 19 78.599 1.512 10.611 152 HG LEU 19 HG LEU 19 80.407 3.325 10.763 153 1HD1 LEU 19 HD11 LEU 19 82.427 2.763 11.578 154 2HD1 LEU 19 HD12 LEU 19 82.588 1.496 10.361 155 3HD1 LEU 19 HD13 LEU 19 81.819 1.140 11.908 156 1HD2 LEU 19 HD21 LEU 19 81.275 2.761 8.578 157 2HD2 LEU 19 HD22 LEU 19 79.614 2.174 8.654 158 3HD2 LEU 19 HD23 LEU 19 80.957 1.045 8.840 159 H LYS 20 HN LYS 20 76.697 1.918 12.347 160 HA LYS 20 HA LYS 20 76.215 4.603 11.570 161 1HB LYS 20 HB2 LYS 20 74.453 2.633 13.056 162 2HB LYS 20 HB1 LYS 20 73.878 4.176 12.425 163 1HG LYS 20 HG2 LYS 20 74.620 3.497 10.150 164 2HG LYS 20 HG1 LYS 20 75.109 1.931 10.799 165 1HD LYS 20 HD2 LYS 20 72.787 1.506 11.528 166 2HD LYS 20 HD1 LYS 20 72.297 3.068 10.871 167 1HE LYS 20 HE2 LYS 20 73.058 2.333 8.621 168 2HE LYS 20 HE1 LYS 20 73.460 0.754 9.294 169 1HZ LYS 20 HZ1 LYS 20 71.125 1.251 8.213 170 2HZ LYS 20 HZ2 LYS 20 70.773 1.789 9.786 171 3HZ LYS 20 HZ3 LYS 20 71.291 0.192 9.527 172 H THR 21 HN THR 21 76.350 3.118 14.797 173 HA THR 21 HA THR 21 75.523 5.378 16.303 174 HB THR 21 HB THR 21 77.655 3.412 17.170 175 HG1 THR 21 HG1 THR 21 75.052 2.873 17.812 176 1HG2 THR 21 HG21 THR 21 75.441 4.747 18.742 177 2HG2 THR 21 HG22 THR 21 77.068 5.415 18.606 178 3HG2 THR 21 HG23 THR 21 76.818 3.850 19.380 179 H ARG 22 HN ARG 22 78.643 4.550 14.870 180 HA ARG 22 HA ARG 22 80.136 6.630 16.208 181 1HB ARG 22 HB2 ARG 22 80.634 5.126 13.621 182 2HB ARG 22 HB1 ARG 22 81.792 6.240 14.349 183 1HG ARG 22 HG2 ARG 22 81.858 4.880 16.389 184 2HG ARG 22 HG1 ARG 22 80.653 3.783 15.713 185 1HD ARG 22 HD2 ARG 22 82.191 3.204 13.880 186 2HD ARG 22 HD1 ARG 22 83.395 4.314 14.533 187 HE ARG 22 HE ARG 22 82.707 2.502 16.600 188 1HH1 ARG 22 HH21 ARG 22 84.146 2.563 13.465 189 2HH1 ARG 22 HH22 ARG 22 85.181 1.208 13.769 190 1HH2 ARG 22 HH11 ARG 22 84.053 0.733 17.013 191 2HH2 ARG 22 HH12 ARG 22 85.128 0.172 15.776 192 H GLY 23 HN GLY 23 77.734 6.726 13.828 193 1HA GLY 23 HA2 GLY 23 76.852 8.859 13.056 194 2HA GLY 23 HA1 GLY 23 78.474 9.540 13.201 195 H VAL 24 HN VAL 24 77.422 6.524 11.622 196 HA VAL 24 HA VAL 24 78.502 7.636 9.061 197 HB VAL 24 HB VAL 24 78.767 4.879 10.271 198 1HG1 VAL 24 HG11 VAL 24 79.960 4.555 7.899 199 2HG1 VAL 24 HG12 VAL 24 78.742 5.732 7.408 200 3HG1 VAL 24 HG13 VAL 24 78.248 4.200 8.125 201 1HG2 VAL 24 HG21 VAL 24 80.502 6.572 10.784 202 2HG2 VAL 24 HG22 VAL 24 80.755 6.827 9.058 203 3HG2 VAL 24 HG23 VAL 24 81.152 5.271 9.786 204 H LYS 25 HN LYS 25 77.146 7.462 7.306 205 HA LYS 25 HA LYS 25 74.738 5.718 7.600 206 1HB LYS 25 HB2 LYS 25 74.827 8.564 6.551 207 2HB LYS 25 HB1 LYS 25 73.416 7.508 6.469 208 1HG LYS 25 HG2 LYS 25 73.392 7.324 8.923 209 2HG LYS 25 HG1 LYS 25 74.821 8.354 9.020 210 1HD LYS 25 HD2 LYS 25 73.562 10.186 7.925 211 2HD LYS 25 HD1 LYS 25 72.128 9.158 7.881 212 1HE LYS 25 HE2 LYS 25 73.597 9.912 10.422 213 2HE LYS 25 HE1 LYS 25 72.159 10.742 9.829 214 1HZ LYS 25 HZ1 LYS 25 72.404 8.171 11.113 215 2HZ LYS 25 HZ2 LYS 25 71.410 8.162 9.735 216 3HZ LYS 25 HZ3 LYS 25 71.071 9.217 11.022 217 H VAL 26 HN VAL 26 75.564 4.153 6.171 218 HA VAL 26 HA VAL 26 75.814 5.071 3.341 219 HB VAL 26 HB VAL 26 77.621 3.404 3.014 220 1HG1 VAL 26 HG11 VAL 26 78.329 5.663 3.446 221 2HG1 VAL 26 HG12 VAL 26 79.358 4.609 4.418 222 3HG1 VAL 26 HG13 VAL 26 78.028 5.487 5.175 223 1HG2 VAL 26 HG21 VAL 26 77.332 1.755 4.643 224 2HG2 VAL 26 HG22 VAL 26 77.044 2.932 5.925 225 3HG2 VAL 26 HG23 VAL 26 78.679 2.673 5.315 226 H LYS 27 HN LYS 27 75.415 3.249 1.789 227 HA LYS 27 HA LYS 27 73.057 1.762 2.592 228 1HB LYS 27 HB2 LYS 27 74.748 1.692 0.076 229 2HB LYS 27 HB1 LYS 27 73.253 0.777 0.280 230 1HG LYS 27 HG2 LYS 27 72.019 2.874 0.688 231 2HG LYS 27 HG1 LYS 27 73.511 3.793 0.488 232 1HD LYS 27 HD2 LYS 27 73.723 2.967 -1.823 233 2HD LYS 27 HD1 LYS 27 72.241 2.029 -1.628 234 1HE LYS 27 HE2 LYS 27 72.461 5.047 -1.416 235 2HE LYS 27 HE1 LYS 27 71.776 4.158 -2.777 236 1HZ LYS 27 HZ1 LYS 27 70.466 3.141 -0.631 237 2HZ LYS 27 HZ2 LYS 27 69.860 4.330 -1.684 238 3HZ LYS 27 HZ3 LYS 27 70.613 4.783 -0.230 239 H TYR 28 HN TYR 28 72.872 -0.512 2.841 240 HA TYR 28 HA TYR 28 75.033 -1.840 4.121 241 1HB TYR 28 HB2 TYR 28 72.727 -2.567 4.449 242 2HB TYR 28 HB1 TYR 28 72.589 -2.996 2.745 243 HD1 TYR 28 HD1 TYR 28 72.828 -5.247 2.226 244 HD2 TYR 28 HD2 TYR 28 74.944 -3.645 5.604 245 HE1 TYR 28 HE1 TYR 28 73.752 -7.496 2.714 246 HE2 TYR 28 HE2 TYR 28 75.867 -5.894 6.092 247 HH TYR 28 HH TYR 28 75.990 -8.324 4.000 248 H ALA 29 HN ALA 29 73.930 -1.899 0.748 249 HA ALA 29 HA ALA 29 75.577 -3.979 -0.222 250 1HB ALA 29 HB1 ALA 29 75.468 -2.740 -2.415 251 2HB ALA 29 HB2 ALA 29 74.682 -1.411 -1.564 252 3HB ALA 29 HB3 ALA 29 73.896 -2.988 -1.655 253 H ASP 30 HN ASP 30 76.367 -0.669 0.645 254 HA ASP 30 HA ASP 30 78.894 -0.474 -0.656 255 1HB ASP 30 HB2 ASP 30 77.779 1.458 0.399 256 2HB ASP 30 HB1 ASP 30 78.018 0.731 1.988 257 H LEU 31 HN LEU 31 78.012 -1.729 2.562 258 HA LEU 31 HA LEU 31 80.667 -2.320 3.425 259 1HB LEU 31 HB2 LEU 31 77.945 -3.393 4.133 260 2HB LEU 31 HB1 LEU 31 79.394 -4.142 4.803 261 HG LEU 31 HG LEU 31 78.396 -2.312 6.239 262 1HD1 LEU 31 HD11 LEU 31 80.483 -2.080 7.056 263 2HD1 LEU 31 HD12 LEU 31 80.983 -1.140 5.651 264 3HD1 LEU 31 HD13 LEU 31 81.074 -2.900 5.611 265 1HD2 LEU 31 HD21 LEU 31 77.855 -0.900 4.155 266 2HD2 LEU 31 HD22 LEU 31 79.561 -0.451 4.160 267 3HD2 LEU 31 HD23 LEU 31 78.538 -0.041 5.537 268 H LEU 32 HN LEU 32 78.268 -4.325 1.700 269 HA LEU 32 HA LEU 32 79.911 -6.661 1.520 270 1HB LEU 32 HB2 LEU 32 77.685 -5.658 -0.281 271 2HB LEU 32 HB1 LEU 32 78.404 -7.265 -0.395 272 HG LEU 32 HG LEU 32 77.139 -6.164 2.128 273 1HD1 LEU 32 HD11 LEU 32 75.545 -8.227 1.227 274 2HD1 LEU 32 HD12 LEU 32 75.972 -7.401 -0.270 275 3HD1 LEU 32 HD13 LEU 32 75.182 -6.513 1.033 276 1HD2 LEU 32 HD21 LEU 32 78.485 -8.701 1.319 277 2HD2 LEU 32 HD22 LEU 32 77.079 -8.840 2.375 278 3HD2 LEU 32 HD23 LEU 32 78.473 -7.886 2.883 279 H LYS 33 HN LYS 33 79.510 -3.863 -0.650 280 HA LYS 33 HA LYS 33 81.238 -4.831 -2.718 281 1HB LYS 33 HB2 LYS 33 80.429 -2.042 -1.866 282 2HB LYS 33 HB1 LYS 33 81.474 -2.342 -3.255 283 1HG LYS 33 HG2 LYS 33 79.742 -3.748 -4.281 284 2HG LYS 33 HG1 LYS 33 78.699 -3.508 -2.879 285 1HD LYS 33 HD2 LYS 33 78.715 -1.058 -3.320 286 2HD LYS 33 HD1 LYS 33 79.681 -1.347 -4.768 287 1HE LYS 33 HE2 LYS 33 77.886 -2.753 -5.698 288 2HE LYS 33 HE1 LYS 33 76.921 -2.492 -4.245 289 1HZ LYS 33 HZ1 LYS 33 76.550 -1.007 -6.314 290 2HZ LYS 33 HZ2 LYS 33 77.927 -0.182 -5.762 291 3HZ LYS 33 HZ3 LYS 33 76.553 -0.301 -4.771 292 H PHE 34 HN PHE 34 81.854 -3.054 0.281 293 HA PHE 34 HA PHE 34 84.552 -2.323 -0.192 294 1HB PHE 34 HB2 PHE 34 83.423 -1.466 1.756 295 2HB PHE 34 HB1 PHE 34 83.125 -3.094 2.367 296 HD1 PHE 34 HD1 PHE 34 85.957 -0.871 1.309 297 HD2 PHE 34 HD2 PHE 34 84.618 -4.016 3.910 298 HE1 PHE 34 HE1 PHE 34 88.141 -0.831 2.483 299 HE2 PHE 34 HE2 PHE 34 86.802 -3.976 5.084 300 HZ PHE 34 HZ PHE 34 88.564 -2.383 4.370 301 H PHE 35 HN PHE 35 83.224 -5.322 1.226 302 HA PHE 35 HA PHE 35 85.778 -6.581 1.603 303 1HB PHE 35 HB2 PHE 35 82.962 -7.643 1.340 304 2HB PHE 35 HB1 PHE 35 84.342 -8.719 1.555 305 HD1 PHE 35 HD1 PHE 35 81.979 -6.575 3.198 306 HD2 PHE 35 HD2 PHE 35 85.912 -8.264 3.551 307 HE1 PHE 35 HE1 PHE 35 81.953 -6.125 5.636 308 HE2 PHE 35 HE2 PHE 35 85.887 -7.814 5.990 309 HZ PHE 35 HZ PHE 35 83.908 -6.744 7.033 310 H ASP 36 HN ASP 36 83.429 -6.650 -1.073 311 HA ASP 36 HA ASP 36 84.819 -8.577 -2.664 312 1HB ASP 36 HB2 ASP 36 82.910 -6.338 -3.367 313 2HB ASP 36 HB1 ASP 36 83.572 -7.429 -4.586 314 H PHE 37 HN PHE 37 84.990 -5.018 -2.570 315 HA PHE 37 HA PHE 37 86.869 -4.717 -4.693 316 1HB PHE 37 HB2 PHE 37 85.708 -2.774 -3.852 317 2HB PHE 37 HB1 PHE 37 86.352 -3.028 -2.230 318 HD1 PHE 37 HD1 PHE 37 88.115 -1.647 -1.614 319 HD2 PHE 37 HD2 PHE 37 87.689 -2.781 -5.736 320 HE1 PHE 37 HE1 PHE 37 90.111 -0.294 -2.193 321 HE2 PHE 37 HE2 PHE 37 89.685 -1.427 -6.314 322 HZ PHE 37 HZ PHE 37 90.896 -0.183 -4.542 323 H VAL 38 HN VAL 38 87.347 -5.162 -1.189 324 HA VAL 38 HA VAL 38 90.178 -4.906 -1.178 325 HB VAL 38 HB VAL 38 88.466 -6.704 0.567 326 1HG1 VAL 38 HG11 VAL 38 90.386 -7.233 1.612 327 2HG1 VAL 38 HG12 VAL 38 90.726 -5.522 1.877 328 3HG1 VAL 38 HG13 VAL 38 91.284 -6.314 0.403 329 1HG2 VAL 38 HG21 VAL 38 87.751 -4.852 1.654 330 2HG2 VAL 38 HG22 VAL 38 88.339 -3.932 0.270 331 3HG2 VAL 38 HG23 VAL 38 89.372 -4.159 1.680 332 H LYS 39 HN LYS 39 88.146 -7.827 -1.559 333 HA LYS 39 HA LYS 39 90.377 -9.608 -1.942 334 1HB LYS 39 HB2 LYS 39 87.467 -9.826 -2.768 335 2HB LYS 39 HB1 LYS 39 88.635 -11.140 -2.916 336 1HG LYS 39 HG2 LYS 39 89.034 -11.102 -0.502 337 2HG LYS 39 HG1 LYS 39 87.940 -9.729 -0.323 338 1HD LYS 39 HD2 LYS 39 86.061 -11.080 -1.119 339 2HD LYS 39 HD1 LYS 39 87.138 -12.450 -1.397 340 1HE LYS 39 HE2 LYS 39 87.671 -12.539 1.001 341 2HE LYS 39 HE1 LYS 39 86.631 -11.145 1.294 342 1HZ LYS 39 HZ1 LYS 39 84.737 -12.351 0.849 343 2HZ LYS 39 HZ2 LYS 39 85.699 -13.508 1.636 344 3HZ LYS 39 HZ3 LYS 39 85.555 -13.529 -0.056 345 H ASP 40 HN ASP 40 88.381 -7.684 -4.142 346 HA ASP 40 HA ASP 40 89.471 -8.797 -6.569 347 1HB ASP 40 HB2 ASP 40 88.156 -6.119 -6.021 348 2HB ASP 40 HB1 ASP 40 88.518 -6.744 -7.630 349 H THR 41 HN THR 41 90.692 -6.563 -4.243 350 HA THR 41 HA THR 41 92.274 -4.843 -5.822 351 HB THR 41 HB THR 41 92.962 -6.042 -3.121 352 HG1 THR 41 HG1 THR 41 91.589 -4.658 -2.360 353 1HG2 THR 41 HG21 THR 41 94.021 -3.651 -4.643 354 2HG2 THR 41 HG22 THR 41 94.933 -5.044 -4.058 355 3HG2 THR 41 HG23 THR 41 94.270 -3.879 -2.911 356 H CYS 42 HN CYS 42 93.116 -8.056 -4.501 357 HA CYS 42 HA CYS 42 95.387 -8.116 -6.449 358 1HB CYS 42 HB2 CYS 42 95.250 -8.733 -3.584 359 2HB CYS 42 HB1 CYS 42 95.975 -10.029 -4.535 360 HG CYS 42 HG CYS 42 97.134 -7.171 -4.222 361 HA PRO 43 HA PRO 43 93.721 -12.769 -5.862 362 1HB PRO 43 HB2 PRO 43 90.977 -11.891 -5.063 363 2HB PRO 43 HB1 PRO 43 91.892 -13.327 -4.564 364 1HG PRO 43 HG2 PRO 43 91.604 -11.121 -3.014 365 2HG PRO 43 HG1 PRO 43 92.993 -12.217 -2.920 366 1HD PRO 43 HD2 PRO 43 92.960 -9.432 -3.869 367 2HD PRO 43 HD1 PRO 43 94.300 -10.529 -3.468 368 H TRP 44 HN TRP 44 91.753 -10.010 -6.910 369 HA TRP 44 HA TRP 44 91.588 -11.155 -9.612 370 1HB TRP 44 HB2 TRP 44 89.079 -10.602 -7.995 371 2HB TRP 44 HB1 TRP 44 89.120 -11.031 -9.705 372 HD1 TRP 44 HD1 TRP 44 90.524 -13.455 -10.185 373 HE1 TRP 44 HE1 TRP 44 90.282 -15.663 -8.876 374 HE3 TRP 44 HE3 TRP 44 88.492 -11.689 -5.846 375 HZ2 TRP 44 HZ2 TRP 44 89.349 -16.560 -6.322 376 HZ3 TRP 44 HZ3 TRP 44 87.937 -13.239 -3.994 377 HH2 TRP 44 HH2 TRP 44 88.362 -15.671 -4.227 378 H PHE 45 HN PHE 45 92.532 -9.323 -10.485 379 HA PHE 45 HA PHE 45 91.859 -6.638 -9.648 380 1HB PHE 45 HB2 PHE 45 92.951 -7.006 -12.371 381 2HB PHE 45 HB1 PHE 45 93.541 -5.998 -11.048 382 HD1 PHE 45 HD1 PHE 45 94.219 -8.866 -12.965 383 HD2 PHE 45 HD2 PHE 45 94.426 -7.390 -8.935 384 HE1 PHE 45 HE1 PHE 45 95.937 -10.572 -12.428 385 HE2 PHE 45 HE2 PHE 45 96.142 -9.097 -8.398 386 HZ PHE 45 HZ PHE 45 96.899 -10.688 -10.144 387 HA PRO 46 HA PRO 46 89.359 -6.882 -13.869 388 1HB PRO 46 HB2 PRO 46 88.399 -9.679 -13.658 389 2HB PRO 46 HB1 PRO 46 89.006 -8.797 -15.071 390 1HG PRO 46 HG2 PRO 46 90.442 -10.706 -13.882 391 2HG PRO 46 HG1 PRO 46 91.197 -9.270 -14.595 392 1HD PRO 46 HD2 PRO 46 90.680 -9.884 -11.696 393 2HD PRO 46 HD1 PRO 46 92.070 -9.052 -12.428 394 H GLN 47 HN GLN 47 88.405 -8.751 -11.009 395 HA GLN 47 HA GLN 47 85.581 -8.304 -11.249 396 1HB GLN 47 HB2 GLN 47 87.363 -8.927 -8.886 397 2HB GLN 47 HB1 GLN 47 85.611 -8.774 -8.739 398 1HG GLN 47 HG2 GLN 47 85.255 -10.577 -10.310 399 2HG GLN 47 HG1 GLN 47 86.978 -10.653 -10.683 400 1HE2 GLN 47 HE21 GLN 47 86.306 -13.042 -9.894 401 2HE2 GLN 47 HE22 GLN 47 86.585 -13.343 -8.247 402 H GLU 48 HN GLU 48 84.474 -6.430 -10.974 403 HA GLU 48 HA GLU 48 85.517 -4.405 -9.071 404 1HB GLU 48 HB2 GLU 48 84.933 -3.903 -12.000 405 2HB GLU 48 HB1 GLU 48 85.066 -2.613 -10.805 406 1HG GLU 48 HG2 GLU 48 87.350 -3.392 -10.237 407 2HG GLU 48 HG1 GLU 48 87.219 -4.640 -11.477 408 H GLY 49 HN GLY 49 83.792 -2.525 -8.980 409 1HA GLY 49 HA2 GLY 49 81.050 -3.362 -9.588 410 2HA GLY 49 HA1 GLY 49 81.442 -3.372 -7.868 411 H THR 50 HN THR 50 79.474 -1.642 -8.813 412 HA THR 50 HA THR 50 80.523 0.978 -9.440 413 HB THR 50 HB THR 50 77.849 0.048 -8.364 414 HG1 THR 50 HG1 THR 50 78.346 -0.469 -10.521 415 1HG2 THR 50 HG21 THR 50 77.986 2.264 -7.570 416 2HG2 THR 50 HG22 THR 50 77.165 2.425 -9.122 417 3HG2 THR 50 HG23 THR 50 78.881 2.809 -8.988 418 H ILE 51 HN ILE 51 81.127 2.620 -8.050 419 HA ILE 51 HA ILE 51 80.908 2.042 -5.122 420 HB ILE 51 HB ILE 51 83.243 2.606 -6.779 421 1HG1 ILE 51 HG12 ILE 51 82.787 0.777 -5.004 422 2HG1 ILE 51 HG11 ILE 51 84.373 1.549 -4.983 423 1HG2 ILE 51 HG21 ILE 51 83.033 4.889 -6.067 424 2HG2 ILE 51 HG22 ILE 51 84.261 4.153 -5.036 425 3HG2 ILE 51 HG23 ILE 51 82.626 4.404 -4.422 426 1HD1 ILE 51 HD11 ILE 51 82.968 1.307 -2.749 427 2HD1 ILE 51 HD12 ILE 51 82.171 2.759 -3.352 428 3HD1 ILE 51 HD13 ILE 51 83.910 2.764 -3.061 429 H ASP 52 HN ASP 52 80.207 3.747 -3.850 430 HA ASP 52 HA ASP 52 79.251 6.150 -5.299 431 1HB ASP 52 HB2 ASP 52 77.872 4.732 -3.593 432 2HB ASP 52 HB1 ASP 52 78.794 5.612 -2.373 433 H ILE 53 HN ILE 53 80.188 8.147 -5.031 434 HA ILE 53 HA ILE 53 82.774 8.501 -4.042 435 HB ILE 53 HB ILE 53 80.466 10.419 -4.345 436 1HG1 ILE 53 HG12 ILE 53 81.958 9.341 -6.241 437 2HG1 ILE 53 HG11 ILE 53 81.546 11.055 -6.313 438 1HG2 ILE 53 HG21 ILE 53 83.208 10.918 -3.188 439 2HG2 ILE 53 HG22 ILE 53 81.644 11.447 -2.570 440 3HG2 ILE 53 HG23 ILE 53 82.319 12.196 -4.017 441 1HD1 ILE 53 HD11 ILE 53 84.044 10.122 -4.906 442 2HD1 ILE 53 HD12 ILE 53 83.674 11.723 -5.545 443 3HD1 ILE 53 HD13 ILE 53 84.032 10.395 -6.649 444 H LYS 54 HN LYS 54 79.796 8.270 -2.256 445 HA LYS 54 HA LYS 54 80.650 9.569 0.156 446 1HB LYS 54 HB2 LYS 54 78.624 7.365 -0.323 447 2HB LYS 54 HB1 LYS 54 78.843 8.176 1.229 448 1HG LYS 54 HG2 LYS 54 78.352 10.350 0.158 449 2HG LYS 54 HG1 LYS 54 78.108 9.529 -1.384 450 1HD LYS 54 HD2 LYS 54 76.268 8.214 -0.400 451 2HD LYS 54 HD1 LYS 54 76.508 9.034 1.144 452 1HE LYS 54 HE2 LYS 54 76.008 11.202 0.073 453 2HE LYS 54 HE1 LYS 54 75.759 10.381 -1.469 454 1HZ LYS 54 HZ1 LYS 54 73.867 9.315 -0.686 455 2HZ LYS 54 HZ2 LYS 54 73.726 10.881 -0.040 456 3HZ LYS 54 HZ3 LYS 54 74.248 9.597 0.943 457 H PHE 55 HN PHE 55 80.836 6.184 -0.940 458 HA PHE 55 HA PHE 55 82.138 5.330 1.536 459 1HB PHE 55 HB2 PHE 55 82.199 3.721 -0.999 460 2HB PHE 55 HB1 PHE 55 82.028 3.168 0.667 461 HD1 PHE 55 HD1 PHE 55 80.259 2.797 -2.023 462 HD2 PHE 55 HD2 PHE 55 79.902 5.071 1.603 463 HE1 PHE 55 HE1 PHE 55 77.791 2.807 -2.273 464 HE2 PHE 55 HE2 PHE 55 77.435 5.081 1.355 465 HZ PHE 55 HZ PHE 55 76.379 3.949 -0.583 466 H TRP 56 HN TRP 56 83.143 6.779 -1.409 467 HA TRP 56 HA TRP 56 85.732 5.651 -1.733 468 1HB TRP 56 HB2 TRP 56 84.860 7.091 -3.453 469 2HB TRP 56 HB1 TRP 56 84.678 8.429 -2.319 470 HD1 TRP 56 HD1 TRP 56 87.737 6.121 -2.770 471 HE1 TRP 56 HE1 TRP 56 89.782 7.591 -3.322 472 HE3 TRP 56 HE3 TRP 56 85.481 10.693 -3.070 473 HZ2 TRP 56 HZ2 TRP 56 90.381 10.344 -3.824 474 HZ3 TRP 56 HZ3 TRP 56 86.810 12.719 -3.587 475 HH2 TRP 56 HH2 TRP 56 89.254 12.551 -3.963 476 H ARG 57 HN ARG 57 84.638 8.386 0.277 477 HA ARG 57 HA ARG 57 87.201 9.166 1.231 478 1HB ARG 57 HB2 ARG 57 84.627 9.247 2.827 479 2HB ARG 57 HB1 ARG 57 86.029 10.302 3.002 480 1HG ARG 57 HG2 ARG 57 84.338 10.124 0.492 481 2HG ARG 57 HG1 ARG 57 84.147 11.365 1.731 482 1HD ARG 57 HD2 ARG 57 86.634 11.876 1.391 483 2HD ARG 57 HD1 ARG 57 86.533 10.879 -0.059 484 HE ARG 57 HE ARG 57 84.459 12.906 0.001 485 1HH1 ARG 57 HH21 ARG 57 87.780 12.231 -0.639 486 2HH1 ARG 57 HH22 ARG 57 87.961 13.526 -1.776 487 1HH2 ARG 57 HH11 ARG 57 84.677 14.600 -1.480 488 2HH2 ARG 57 HH12 ARG 57 86.206 14.867 -2.251 489 H ARG 58 HN ARG 58 84.902 6.742 2.468 490 HA ARG 58 HA ARG 58 86.543 6.035 4.745 491 1HB ARG 58 HB2 ARG 58 84.275 4.618 3.327 492 2HB ARG 58 HB1 ARG 58 85.062 3.970 4.766 493 1HG ARG 58 HG2 ARG 58 84.477 5.998 6.022 494 2HG ARG 58 HG1 ARG 58 83.722 6.685 4.582 495 1HD ARG 58 HD2 ARG 58 82.007 5.697 6.028 496 2HD ARG 58 HD1 ARG 58 82.133 4.776 4.530 497 HE ARG 58 HE ARG 58 82.811 2.932 5.822 498 1HH1 ARG 58 HH21 ARG 58 83.351 5.913 7.468 499 2HH1 ARG 58 HH22 ARG 58 83.889 5.161 8.931 500 1HH2 ARG 58 HH11 ARG 58 83.511 1.932 7.725 501 2HH2 ARG 58 HH12 ARG 58 83.980 2.907 9.078 502 H VAL 59 HN VAL 59 86.043 4.569 1.527 503 HA VAL 59 HA VAL 59 87.857 2.389 1.928 504 HB VAL 59 HB VAL 59 86.988 3.792 -0.618 505 1HG1 VAL 59 HG11 VAL 59 88.855 2.643 -1.361 506 2HG1 VAL 59 HG12 VAL 59 87.651 1.360 -1.468 507 3HG1 VAL 59 HG13 VAL 59 88.745 1.429 -0.087 508 1HG2 VAL 59 HG21 VAL 59 86.043 1.073 -0.023 509 2HG2 VAL 59 HG22 VAL 59 85.131 2.488 -0.550 510 3HG2 VAL 59 HG23 VAL 59 85.513 2.270 1.159 511 H GLY 60 HN GLY 60 88.314 5.588 0.399 512 1HA GLY 60 HA2 GLY 60 91.034 5.287 -0.307 513 2HA GLY 60 HA1 GLY 60 90.278 6.834 0.079 514 H ASP 61 HN ASP 61 89.626 6.512 2.744 515 HA ASP 61 HA ASP 61 92.157 6.936 4.036 516 1HB ASP 61 HB2 ASP 61 89.756 7.742 4.708 517 2HB ASP 61 HB1 ASP 61 89.664 6.194 5.549 518 H CYS 62 HN CYS 62 89.974 4.147 3.850 519 HA CYS 62 HA CYS 62 91.332 2.529 5.782 520 1HB CYS 62 HB2 CYS 62 89.696 1.747 3.350 521 2HB CYS 62 HB1 CYS 62 90.220 0.621 4.601 522 HG CYS 62 HG CYS 62 88.482 1.508 6.152 523 H PHE 63 HN PHE 63 91.540 2.458 2.201 524 HA PHE 63 HA PHE 63 93.711 0.614 2.101 525 1HB PHE 63 HB2 PHE 63 92.441 2.535 0.225 526 2HB PHE 63 HB1 PHE 63 94.092 2.054 -0.163 527 HD1 PHE 63 HD1 PHE 63 91.248 0.198 1.428 528 HD2 PHE 63 HD2 PHE 63 94.019 0.430 -1.846 529 HE1 PHE 63 HE1 PHE 63 90.415 -1.974 0.568 530 HE2 PHE 63 HE2 PHE 63 93.185 -1.741 -2.706 531 HZ PHE 63 HZ PHE 63 91.384 -2.943 -1.499 532 H GLN 64 HN GLN 64 93.682 4.184 2.103 533 HA GLN 64 HA GLN 64 96.511 4.517 1.886 534 1HB GLN 64 HB2 GLN 64 94.961 6.385 1.547 535 2HB GLN 64 HB1 GLN 64 94.446 6.287 3.231 536 1HG GLN 64 HG2 GLN 64 96.642 6.907 4.015 537 2HG GLN 64 HG1 GLN 64 97.312 6.787 2.388 538 1HE2 GLN 64 HE21 GLN 64 97.658 8.852 1.565 539 2HE2 GLN 64 HE22 GLN 64 96.615 10.174 1.779 540 H ASP 65 HN ASP 65 94.386 4.019 4.678 541 HA ASP 65 HA ASP 65 96.319 4.545 6.710 542 1HB ASP 65 HB2 ASP 65 93.821 2.865 6.589 543 2HB ASP 65 HB1 ASP 65 94.840 2.851 8.029 544 H TYR 66 HN TYR 66 95.414 1.494 5.086 545 HA TYR 66 HA TYR 66 97.352 -0.103 6.500 546 1HB TYR 66 HB2 TYR 66 95.890 -0.509 3.879 547 2HB TYR 66 HB1 TYR 66 96.968 -1.718 4.576 548 HD1 TYR 66 HD1 TYR 66 93.629 -0.645 4.411 549 HD2 TYR 66 HD2 TYR 66 96.525 -2.191 7.180 550 HE1 TYR 66 HE1 TYR 66 91.798 -1.425 5.890 551 HE2 TYR 66 HE2 TYR 66 94.694 -2.973 8.659 552 HH TYR 66 HH TYR 66 91.274 -2.418 7.798 553 H TYR 67 HN TYR 67 97.484 1.901 3.622 554 HA TYR 67 HA TYR 67 99.886 0.848 2.490 555 1HB TYR 67 HB2 TYR 67 98.617 2.346 1.140 556 2HB TYR 67 HB1 TYR 67 98.602 3.583 2.396 557 HD1 TYR 67 HD1 TYR 67 100.978 1.615 0.267 558 HD2 TYR 67 HD2 TYR 67 100.210 5.285 2.363 559 HE1 TYR 67 HE1 TYR 67 103.068 2.579 -0.656 560 HE2 TYR 67 HE2 TYR 67 102.300 6.250 1.439 561 HH TYR 67 HH TYR 67 104.136 5.855 0.251 562 H ASN 68 HN ASN 68 99.436 3.694 4.626 563 HA ASN 68 HA ASN 68 102.263 4.094 5.005 564 1HB ASN 68 HB2 ASN 68 99.819 5.020 6.528 565 2HB ASN 68 HB1 ASN 68 101.455 5.456 7.024 566 1HD2 ASN 68 HD21 ASN 68 99.625 7.466 6.161 567 2HD2 ASN 68 HD22 ASN 68 100.167 8.094 4.681 568 H THR 69 HN THR 69 99.810 2.216 6.718 569 HA THR 69 HA THR 69 101.390 1.671 9.057 570 HB THR 69 HB THR 69 99.266 -0.139 7.881 571 HG1 THR 69 HG1 THR 69 99.012 2.195 9.469 572 1HG2 THR 69 HG21 THR 69 100.192 0.430 10.710 573 2HG2 THR 69 HG22 THR 69 100.506 -1.042 9.792 574 3HG2 THR 69 HG23 THR 69 98.859 -0.639 10.276 575 H PHE 70 HN PHE 70 100.789 -0.261 6.102 576 HA PHE 70 HA PHE 70 103.135 -1.946 6.870 577 1HB PHE 70 HB2 PHE 70 100.756 -2.513 5.079 578 2HB PHE 70 HB1 PHE 70 102.149 -3.586 5.218 579 HD1 PHE 70 HD1 PHE 70 102.818 -4.343 7.613 580 HD2 PHE 70 HD2 PHE 70 98.985 -2.681 6.613 581 HE1 PHE 70 HE1 PHE 70 101.852 -5.334 9.669 582 HE2 PHE 70 HE2 PHE 70 98.019 -3.673 8.670 583 HZ PHE 70 HZ PHE 70 99.452 -5.000 10.198 584 H GLY 71 HN GLY 71 101.537 -0.536 3.993 585 1HA GLY 71 HA2 GLY 71 103.334 0.887 2.698 586 2HA GLY 71 HA1 GLY 71 104.148 -0.674 2.571 587 HA PRO 72 HA PRO 72 101.294 -0.302 -1.050 588 1HB PRO 72 HB2 PRO 72 103.196 -1.112 -2.896 589 2HB PRO 72 HB1 PRO 72 102.858 0.573 -2.472 590 1HG PRO 72 HG2 PRO 72 105.135 -1.120 -1.741 591 2HG PRO 72 HG1 PRO 72 105.001 0.645 -1.780 592 1HD PRO 72 HD2 PRO 72 104.969 -0.999 0.495 593 2HD PRO 72 HD1 PRO 72 104.579 0.736 0.438 594 H GLU 73 HN GLU 73 103.285 -2.820 0.250 595 HA GLU 73 HA GLU 73 102.623 -4.986 -1.458 596 1HB GLU 73 HB2 GLU 73 103.113 -4.933 1.535 597 2HB GLU 73 HB1 GLU 73 103.009 -6.411 0.578 598 1HG GLU 73 HG2 GLU 73 104.899 -5.678 -0.804 599 2HG GLU 73 HG1 GLU 73 104.986 -4.163 0.094 600 H LYS 74 HN LYS 74 100.981 -3.906 1.537 601 HA LYS 74 HA LYS 74 98.797 -5.749 1.299 602 1HB LYS 74 HB2 LYS 74 98.884 -3.039 2.664 603 2HB LYS 74 HB1 LYS 74 97.660 -4.282 2.928 604 1HG LYS 74 HG2 LYS 74 100.629 -4.651 3.425 605 2HG LYS 74 HG1 LYS 74 99.432 -4.317 4.678 606 1HD LYS 74 HD2 LYS 74 98.195 -6.400 3.670 607 2HD LYS 74 HD1 LYS 74 99.785 -6.795 3.014 608 1HE LYS 74 HE2 LYS 74 100.746 -6.636 5.297 609 2HE LYS 74 HE1 LYS 74 99.135 -6.309 5.937 610 1HZ LYS 74 HZ1 LYS 74 98.827 -8.549 4.402 611 2HZ LYS 74 HZ2 LYS 74 98.915 -8.499 6.098 612 3HZ LYS 74 HZ3 LYS 74 100.313 -8.797 5.181 613 H VAL 75 HN VAL 75 99.277 -2.428 0.144 614 HA VAL 75 HA VAL 75 97.026 -2.852 -1.745 615 HB VAL 75 HB VAL 75 96.309 -0.431 -1.203 616 1HG1 VAL 75 HG11 VAL 75 94.910 -1.218 0.709 617 2HG1 VAL 75 HG12 VAL 75 95.907 -2.669 0.805 618 3HG1 VAL 75 HG13 VAL 75 94.930 -2.365 -0.631 619 1HG2 VAL 75 HG21 VAL 75 97.384 -0.952 1.536 620 2HG2 VAL 75 HG22 VAL 75 97.069 0.584 0.728 621 3HG2 VAL 75 HG23 VAL 75 98.511 -0.346 0.322 622 HA PRO 76 HA PRO 76 100.912 -1.147 -3.672 623 1HB PRO 76 HB2 PRO 76 99.607 -2.566 -5.945 624 2HB PRO 76 HB1 PRO 76 101.300 -2.598 -5.416 625 1HG PRO 76 HG2 PRO 76 99.692 -4.657 -4.965 626 2HG PRO 76 HG1 PRO 76 100.899 -4.156 -3.771 627 1HD PRO 76 HD2 PRO 76 97.942 -3.722 -3.759 628 2HD PRO 76 HD1 PRO 76 99.042 -4.045 -2.403 629 H VAL 77 HN VAL 77 101.094 0.521 -5.299 630 HA VAL 77 HA VAL 77 98.994 2.393 -5.438 631 HB VAL 77 HB VAL 77 100.250 3.380 -7.358 632 1HG1 VAL 77 HG11 VAL 77 101.214 2.832 -4.700 633 2HG1 VAL 77 HG12 VAL 77 101.492 4.258 -5.700 634 3HG1 VAL 77 HG13 VAL 77 102.578 2.874 -5.818 635 1HG2 VAL 77 HG21 VAL 77 101.790 0.781 -7.105 636 2HG2 VAL 77 HG22 VAL 77 102.415 2.194 -7.955 637 3HG2 VAL 77 HG23 VAL 77 100.951 1.396 -8.530 638 H THR 78 HN THR 78 99.100 -0.630 -6.876 639 HA THR 78 HA THR 78 97.919 -0.166 -9.429 640 HB THR 78 HB THR 78 97.182 -2.503 -9.308 641 HG1 THR 78 HG1 THR 78 96.657 -2.121 -6.938 642 1HG2 THR 78 HG21 THR 78 99.413 -3.517 -8.538 643 2HG2 THR 78 HG22 THR 78 99.898 -1.865 -8.156 644 3HG2 THR 78 HG23 THR 78 99.492 -2.304 -9.815 645 H ALA 79 HN ALA 79 96.529 -0.345 -6.189 646 HA ALA 79 HA ALA 79 93.778 -0.449 -7.036 647 1HB ALA 79 HB1 ALA 79 94.913 -0.821 -4.662 648 2HB ALA 79 HB2 ALA 79 93.251 -0.246 -4.787 649 3HB ALA 79 HB3 ALA 79 94.560 0.896 -4.477 650 H PHE 80 HN PHE 80 96.033 2.198 -6.361 651 HA PHE 80 HA PHE 80 94.139 4.331 -6.443 652 1HB PHE 80 HB2 PHE 80 97.094 4.164 -7.040 653 2HB PHE 80 HB1 PHE 80 96.206 5.679 -7.213 654 HD1 PHE 80 HD1 PHE 80 96.820 2.900 -4.777 655 HD2 PHE 80 HD2 PHE 80 95.842 7.045 -5.341 656 HE1 PHE 80 HE1 PHE 80 96.966 3.267 -2.330 657 HE2 PHE 80 HE2 PHE 80 95.987 7.412 -2.892 658 HZ PHE 80 HZ PHE 80 96.549 5.522 -1.386 659 H SER 81 HN SER 81 96.051 2.785 -9.022 660 HA SER 81 HA SER 81 95.203 4.503 -11.136 661 1HB SER 81 HB2 SER 81 97.089 2.874 -11.305 662 2HB SER 81 HB1 SER 81 95.917 1.559 -11.311 663 HG SER 81 HG SER 81 96.756 2.650 -13.399 664 H TYR 82 HN TYR 82 93.899 1.355 -10.044 665 HA TYR 82 HA TYR 82 91.735 1.309 -11.924 666 1HB TYR 82 HB2 TYR 82 92.207 -0.051 -9.271 667 2HB TYR 82 HB1 TYR 82 90.710 -0.286 -10.172 668 HD1 TYR 82 HD1 TYR 82 91.175 -0.677 -12.835 669 HD2 TYR 82 HD2 TYR 82 93.863 -1.639 -9.624 670 HE1 TYR 82 HE1 TYR 82 92.308 -2.344 -14.281 671 HE2 TYR 82 HE2 TYR 82 94.996 -3.304 -11.070 672 HH TYR 82 HH TYR 82 94.923 -3.385 -14.184 673 H TRP 83 HN TRP 83 91.975 2.515 -8.582 674 HA TRP 83 HA TRP 83 89.201 3.245 -8.360 675 1HB TRP 83 HB2 TRP 83 91.142 3.072 -6.550 676 2HB TRP 83 HB1 TRP 83 91.317 4.789 -6.910 677 HD1 TRP 83 HD1 TRP 83 89.359 6.410 -6.230 678 HE1 TRP 83 HE1 TRP 83 87.314 6.127 -4.686 679 HE3 TRP 83 HE3 TRP 83 89.346 1.329 -5.700 680 HZ2 TRP 83 HZ2 TRP 83 85.864 4.026 -3.397 681 HZ3 TRP 83 HZ3 TRP 83 87.624 0.215 -4.310 682 HH2 TRP 83 HH2 TRP 83 85.884 1.556 -3.158 683 H ASN 84 HN ASN 84 92.065 4.907 -9.587 684 HA ASN 84 HA ASN 84 91.006 7.533 -9.769 685 1HB ASN 84 HB2 ASN 84 93.017 6.044 -11.470 686 2HB ASN 84 HB1 ASN 84 92.622 7.741 -11.744 687 1HD2 ASN 84 HD21 ASN 84 95.176 6.419 -10.676 688 2HD2 ASN 84 HD22 ASN 84 95.480 7.222 -9.212 689 H LEU 85 HN LEU 85 90.814 4.809 -12.059 690 HA LEU 85 HA LEU 85 89.300 6.237 -14.045 691 1HB LEU 85 HB2 LEU 85 89.458 3.266 -13.451 692 2HB LEU 85 HB1 LEU 85 88.745 3.968 -14.904 693 HG LEU 85 HG LEU 85 91.619 4.359 -14.019 694 1HD1 LEU 85 HD11 LEU 85 90.686 2.048 -14.974 695 2HD1 LEU 85 HD12 LEU 85 92.250 2.686 -15.484 696 3HD1 LEU 85 HD13 LEU 85 90.831 2.905 -16.509 697 1HD2 LEU 85 HD21 LEU 85 91.254 6.220 -15.326 698 2HD2 LEU 85 HD22 LEU 85 89.900 5.482 -16.180 699 3HD2 LEU 85 HD23 LEU 85 91.554 5.058 -16.619 700 H ILE 86 HN ILE 86 88.386 4.279 -11.230 701 HA ILE 86 HA ILE 86 85.567 4.239 -11.775 702 HB ILE 86 HB ILE 86 87.141 4.019 -9.195 703 1HG1 ILE 86 HG12 ILE 86 87.068 2.250 -11.191 704 2HG1 ILE 86 HG11 ILE 86 87.020 1.725 -9.508 705 1HG2 ILE 86 HG21 ILE 86 85.011 4.782 -8.486 706 2HG2 ILE 86 HG22 ILE 86 84.907 3.025 -8.367 707 3HG2 ILE 86 HG23 ILE 86 84.173 3.861 -9.736 708 1HD1 ILE 86 HD11 ILE 86 84.666 1.413 -9.560 709 2HD1 ILE 86 HD12 ILE 86 85.246 0.726 -11.077 710 3HD1 ILE 86 HD13 ILE 86 84.499 2.323 -11.061 711 H LYS 87 HN LYS 87 87.610 6.453 -9.869 712 HA LYS 87 HA LYS 87 85.542 8.097 -8.846 713 1HB LYS 87 HB2 LYS 87 87.933 8.236 -8.152 714 2HB LYS 87 HB1 LYS 87 88.317 8.966 -9.712 715 1HG LYS 87 HG2 LYS 87 86.805 10.839 -9.235 716 2HG LYS 87 HG1 LYS 87 86.355 10.103 -7.696 717 1HD LYS 87 HD2 LYS 87 88.708 10.246 -6.945 718 2HD LYS 87 HD1 LYS 87 89.143 11.010 -8.474 719 1HE LYS 87 HE2 LYS 87 87.590 12.867 -7.992 720 2HE LYS 87 HE1 LYS 87 87.159 12.108 -6.460 721 1HZ LYS 87 HZ1 LYS 87 88.837 13.797 -6.131 722 2HZ LYS 87 HZ2 LYS 87 89.869 13.036 -7.246 723 3HZ LYS 87 HZ3 LYS 87 89.480 12.268 -5.781 724 H GLU 88 HN GLU 88 87.323 8.312 -11.929 725 HA GLU 88 HA GLU 88 85.928 10.687 -12.814 726 1HB GLU 88 HB2 GLU 88 87.470 8.566 -14.338 727 2HB GLU 88 HB1 GLU 88 86.850 10.048 -15.066 728 1HG GLU 88 HG2 GLU 88 88.190 11.405 -13.541 729 2HG GLU 88 HG1 GLU 88 88.753 9.957 -12.707 730 H LEU 89 HN LEU 89 85.396 7.210 -13.197 731 HA LEU 89 HA LEU 89 83.334 7.398 -15.180 732 1HB LEU 89 HB2 LEU 89 84.459 5.272 -14.665 733 2HB LEU 89 HB1 LEU 89 83.779 5.295 -13.038 734 HG LEU 89 HG LEU 89 81.502 5.226 -13.982 735 1HD1 LEU 89 HD11 LEU 89 83.055 5.498 -16.525 736 2HD1 LEU 89 HD12 LEU 89 81.521 6.236 -16.065 737 3HD1 LEU 89 HD13 LEU 89 81.573 4.542 -16.554 738 1HD2 LEU 89 HD21 LEU 89 81.736 2.988 -13.858 739 2HD2 LEU 89 HD22 LEU 89 83.473 3.152 -14.114 740 3HD2 LEU 89 HD23 LEU 89 82.391 2.972 -15.495 741 H ILE 90 HN ILE 90 83.145 7.098 -11.618 742 HA ILE 90 HA ILE 90 80.267 7.366 -11.568 743 HB ILE 90 HB ILE 90 80.524 7.560 -9.156 744 1HG1 ILE 90 HG12 ILE 90 83.419 8.102 -9.861 745 2HG1 ILE 90 HG11 ILE 90 82.312 9.149 -8.973 746 1HG2 ILE 90 HG21 ILE 90 81.287 5.421 -8.847 747 2HG2 ILE 90 HG22 ILE 90 82.774 5.712 -9.749 748 3HG2 ILE 90 HG23 ILE 90 81.267 5.404 -10.611 749 1HD1 ILE 90 HD11 ILE 90 83.581 6.567 -8.062 750 2HD1 ILE 90 HD12 ILE 90 82.148 7.220 -7.267 751 3HD1 ILE 90 HD13 ILE 90 83.645 8.152 -7.289 752 H ASP 91 HN ASP 91 82.964 9.633 -11.058 753 HA ASP 91 HA ASP 91 81.380 11.888 -10.325 754 1HB ASP 91 HB2 ASP 91 84.085 11.635 -11.652 755 2HB ASP 91 HB1 ASP 91 83.377 13.202 -11.260 756 H LYS 92 HN LYS 92 82.589 10.845 -13.524 757 HA LYS 92 HA LYS 92 81.347 12.976 -14.987 758 1HB LYS 92 HB2 LYS 92 82.247 10.200 -15.786 759 2HB LYS 92 HB1 LYS 92 81.580 11.353 -16.943 760 1HG LYS 92 HG2 LYS 92 83.335 12.974 -16.365 761 2HG LYS 92 HG1 LYS 92 83.993 11.851 -15.174 762 1HD LYS 92 HD2 LYS 92 84.425 10.205 -16.967 763 2HD LYS 92 HD1 LYS 92 83.790 11.343 -18.157 764 1HE LYS 92 HE2 LYS 92 85.549 12.950 -17.608 765 2HE LYS 92 HE1 LYS 92 86.158 11.885 -16.341 766 1HZ LYS 92 HZ1 LYS 92 86.007 11.178 -19.220 767 2HZ LYS 92 HZ2 LYS 92 86.683 10.232 -17.981 768 3HZ LYS 92 HZ3 LYS 92 87.412 11.700 -18.427 769 H LYS 93 HN LYS 93 80.233 9.731 -14.066 770 HA LYS 93 HA LYS 93 77.751 9.887 -15.534 771 1HB LYS 93 HB2 LYS 93 78.785 7.754 -14.704 772 2HB LYS 93 HB1 LYS 93 78.359 8.237 -13.062 773 1HG LYS 93 HG2 LYS 93 75.986 8.305 -13.667 774 2HG LYS 93 HG1 LYS 93 76.383 7.900 -15.337 775 1HD LYS 93 HD2 LYS 93 77.355 5.754 -14.579 776 2HD LYS 93 HD1 LYS 93 76.923 6.154 -12.917 777 1HE LYS 93 HE2 LYS 93 74.544 6.247 -13.545 778 2HE LYS 93 HE1 LYS 93 74.964 5.868 -15.215 779 1HZ LYS 93 HZ1 LYS 93 76.083 4.026 -13.323 780 2HZ LYS 93 HZ2 LYS 93 75.193 3.721 -14.738 781 3HZ LYS 93 HZ3 LYS 93 74.388 4.057 -13.280 782 H GLU 94 HN GLU 94 75.809 10.780 -14.918 783 HA GLU 94 HA GLU 94 75.814 12.438 -12.476 784 1HB GLU 94 HB2 GLU 94 73.831 12.138 -14.749 785 2HB GLU 94 HB1 GLU 94 73.595 13.221 -13.377 786 1HG GLU 94 HG2 GLU 94 75.672 14.409 -13.931 787 2HG GLU 94 HG1 GLU 94 75.956 13.307 -15.279 788 H VAL 95 HN VAL 95 75.214 11.442 -10.611 789 HA VAL 95 HA VAL 95 72.825 9.657 -10.702 790 HB VAL 95 HB VAL 95 75.021 8.366 -10.559 791 1HG1 VAL 95 HG11 VAL 95 75.197 8.996 -7.678 792 2HG1 VAL 95 HG12 VAL 95 75.706 10.301 -8.749 793 3HG1 VAL 95 HG13 VAL 95 76.484 8.721 -8.850 794 1HG2 VAL 95 HG21 VAL 95 73.084 8.169 -8.228 795 2HG2 VAL 95 HG22 VAL 95 74.178 6.891 -8.761 796 3HG2 VAL 95 HG23 VAL 95 72.864 7.423 -9.812 797 H ASN 96 HN ASN 96 71.638 9.607 -8.673 798 HA ASN 96 HA ASN 96 72.338 11.854 -6.829 799 1HB ASN 96 HB2 ASN 96 70.451 12.513 -8.255 800 2HB ASN 96 HB1 ASN 96 69.581 11.048 -7.803 801 1HD2 ASN 96 HD21 ASN 96 68.196 13.288 -7.187 802 2HD2 ASN 96 HD22 ASN 96 68.297 13.664 -5.535 803 HA PRO 97 HA PRO 97 72.108 7.916 -4.424 804 1HB PRO 97 HB2 PRO 97 73.905 9.511 -2.688 805 2HB PRO 97 HB1 PRO 97 74.119 7.872 -3.331 806 1HG PRO 97 HG2 PRO 97 75.536 9.900 -4.279 807 2HG PRO 97 HG1 PRO 97 74.934 8.622 -5.348 808 1HD PRO 97 HD2 PRO 97 73.843 11.400 -4.951 809 2HD PRO 97 HD1 PRO 97 74.035 10.473 -6.454 810 H GLN 98 HN GLN 98 72.438 8.420 -1.577 811 HA GLN 98 HA GLN 98 69.754 9.109 -0.873 812 1HB GLN 98 HB2 GLN 98 72.281 8.984 0.800 813 2HB GLN 98 HB1 GLN 98 70.665 9.193 1.475 814 1HG GLN 98 HG2 GLN 98 69.947 7.065 0.506 815 2HG GLN 98 HG1 GLN 98 71.521 6.862 -0.265 816 1HE2 GLN 98 HE21 GLN 98 69.754 6.078 2.523 817 2HE2 GLN 98 HE22 GLN 98 71.053 5.652 3.528 818 H VAL 99 HN VAL 99 72.772 10.986 -0.843 819 HA VAL 99 HA VAL 99 71.098 13.437 -0.469 820 HB VAL 99 HB VAL 99 73.796 12.758 0.717 821 1HG1 VAL 99 HG11 VAL 99 74.237 14.948 0.117 822 2HG1 VAL 99 HG12 VAL 99 73.391 15.228 1.639 823 3HG1 VAL 99 HG13 VAL 99 72.533 15.399 0.106 824 1HG2 VAL 99 HG21 VAL 99 71.742 14.049 2.360 825 2HG2 VAL 99 HG22 VAL 99 72.661 12.576 2.670 826 3HG2 VAL 99 HG23 VAL 99 71.202 12.513 1.682 827 H MET 100 HN MET 100 71.378 14.949 -2.053 828 HA MET 100 HA MET 100 73.279 14.370 -4.214 829 1HB MET 100 HB2 MET 100 70.989 15.193 -4.704 830 2HB MET 100 HB1 MET 100 71.365 16.697 -3.862 831 1HG MET 100 HG2 MET 100 73.154 17.183 -5.456 832 2HG MET 100 HG1 MET 100 72.878 15.643 -6.269 833 1HE MET 100 HE1 MET 100 72.096 16.981 -8.921 834 2HE MET 100 HE2 MET 100 73.225 17.719 -7.788 835 3HE MET 100 HE3 MET 100 71.913 18.680 -8.466 Start of MODEL 8 1 1H MET 1 HT1 MET 1 72.335 -5.747 -0.113 2 2H MET 1 HT2 MET 1 72.425 -5.056 1.437 3 3H MET 1 HT3 MET 1 70.959 -5.032 0.577 4 HA MET 1 HA MET 1 72.323 -7.367 1.787 5 1HB MET 1 HB2 MET 1 69.511 -6.267 2.078 6 2HB MET 1 HB1 MET 1 70.218 -7.597 2.996 7 1HG MET 1 HG2 MET 1 71.248 -4.745 3.005 8 2HG MET 1 HG1 MET 1 70.258 -5.466 4.274 9 1HE MET 1 HE1 MET 1 72.240 -7.865 6.126 10 2HE MET 1 HE2 MET 1 71.559 -8.543 4.651 11 3HE MET 1 HE3 MET 1 70.671 -7.304 5.533 12 H GLY 2 HN GLY 2 69.602 -8.645 1.618 13 1HA GLY 2 HA2 GLY 2 68.324 -9.911 0.092 14 2HA GLY 2 HA1 GLY 2 69.020 -8.953 -1.216 15 H GLN 3 HN GLN 3 71.305 -10.323 0.942 16 HA GLN 3 HA GLN 3 71.763 -12.604 -0.935 17 1HB GLN 3 HB2 GLN 3 73.841 -10.721 0.223 18 2HB GLN 3 HB1 GLN 3 74.215 -12.198 -0.666 19 1HG GLN 3 HG2 GLN 3 72.542 -9.930 -1.781 20 2HG GLN 3 HG1 GLN 3 74.267 -10.128 -2.091 21 1HE2 GLN 3 HE21 GLN 3 71.355 -10.722 -3.521 22 2HE2 GLN 3 HE22 GLN 3 71.748 -12.103 -4.426 23 H GLU 4 HN GLU 4 73.043 -14.371 0.078 24 HA GLU 4 HA GLU 4 72.063 -15.092 2.649 25 1HB GLU 4 HB2 GLU 4 74.514 -16.093 1.168 26 2HB GLU 4 HB1 GLU 4 73.794 -16.880 2.573 27 1HG GLU 4 HG2 GLU 4 72.329 -16.330 -0.025 28 2HG GLU 4 HG1 GLU 4 73.036 -17.886 0.415 29 H LEU 5 HN LEU 5 72.822 -14.678 4.692 30 HA LEU 5 HA LEU 5 75.127 -12.830 4.915 31 1HB LEU 5 HB2 LEU 5 72.973 -13.704 6.852 32 2HB LEU 5 HB1 LEU 5 74.348 -12.713 7.342 33 HG LEU 5 HG LEU 5 72.485 -11.976 5.071 34 1HD1 LEU 5 HD11 LEU 5 72.454 -11.205 8.000 35 2HD1 LEU 5 HD12 LEU 5 71.150 -11.940 7.067 36 3HD1 LEU 5 HD13 LEU 5 71.627 -10.271 6.753 37 1HD2 LEU 5 HD21 LEU 5 74.183 -10.527 4.672 38 2HD2 LEU 5 HD22 LEU 5 74.963 -10.900 6.209 39 3HD2 LEU 5 HD23 LEU 5 73.670 -9.703 6.144 40 H SER 6 HN SER 6 76.981 -14.092 4.796 41 HA SER 6 HA SER 6 77.184 -16.633 6.230 42 1HB SER 6 HB2 SER 6 79.275 -16.857 5.211 43 2HB SER 6 HB1 SER 6 78.420 -15.848 4.047 44 HG SER 6 HG SER 6 80.352 -14.857 4.454 45 H GLN 7 HN GLN 7 79.181 -16.890 7.742 46 HA GLN 7 HA GLN 7 78.792 -15.339 10.071 47 1HB GLN 7 HB2 GLN 7 81.186 -16.955 9.156 48 2HB GLN 7 HB1 GLN 7 81.057 -16.245 10.765 49 1HG GLN 7 HG2 GLN 7 78.996 -17.508 11.183 50 2HG GLN 7 HG1 GLN 7 79.063 -18.185 9.556 51 1HE2 GLN 7 HE21 GLN 7 79.631 -20.359 9.861 52 2HE2 GLN 7 HE22 GLN 7 80.946 -20.887 10.796 53 H HIS 8 HN HIS 8 81.214 -14.977 7.483 54 HA HIS 8 HA HIS 8 82.583 -12.759 8.693 55 1HB HIS 8 HB2 HIS 8 83.564 -14.088 6.857 56 2HB HIS 8 HB1 HIS 8 82.319 -13.490 5.760 57 HD2 HIS 8 HD2 HIS 8 82.913 -11.030 4.605 58 HE1 HIS 8 HE1 HIS 8 86.205 -10.037 7.057 59 HE2 HIS 8 HE2 HIS 8 84.848 -9.334 5.033 60 H GLU 9 HN GLU 9 79.932 -12.935 6.310 61 HA GLU 9 HA GLU 9 79.699 -10.111 5.913 62 1HB GLU 9 HB2 GLU 9 77.636 -12.323 5.683 63 2HB GLU 9 HB1 GLU 9 77.376 -10.667 5.133 64 1HG GLU 9 HG2 GLU 9 79.307 -10.860 3.613 65 2HG GLU 9 HG1 GLU 9 79.578 -12.514 4.164 66 H ARG 10 HN ARG 10 78.397 -12.289 8.362 67 HA ARG 10 HA ARG 10 76.553 -10.377 9.503 68 1HB ARG 10 HB2 ARG 10 77.842 -12.896 10.578 69 2HB ARG 10 HB1 ARG 10 76.695 -11.939 11.515 70 1HG ARG 10 HG2 ARG 10 74.989 -12.227 9.784 71 2HG ARG 10 HG1 ARG 10 76.135 -13.113 8.776 72 1HD ARG 10 HD2 ARG 10 76.331 -14.848 10.523 73 2HD ARG 10 HD1 ARG 10 75.178 -13.967 11.525 74 HE ARG 10 HE ARG 10 74.531 -15.545 9.129 75 1HH1 ARG 10 HH21 ARG 10 73.629 -13.139 11.427 76 2HH1 ARG 10 HH22 ARG 10 71.929 -13.322 11.151 77 1HH2 ARG 10 HH11 ARG 10 72.316 -15.798 8.755 78 2HH2 ARG 10 HH12 ARG 10 71.186 -14.828 9.637 79 H TYR 11 HN TYR 11 79.930 -11.254 10.175 80 HA TYR 11 HA TYR 11 80.241 -9.742 12.565 81 1HB TYR 11 HB2 TYR 11 81.940 -11.342 11.818 82 2HB TYR 11 HB1 TYR 11 82.272 -10.356 10.395 83 HD1 TYR 11 HD1 TYR 11 82.451 -10.447 14.104 84 HD2 TYR 11 HD2 TYR 11 83.650 -8.399 10.523 85 HE1 TYR 11 HE1 TYR 11 84.061 -9.094 15.417 86 HE2 TYR 11 HE2 TYR 11 85.261 -7.047 11.837 87 HH TYR 11 HH TYR 11 86.508 -7.254 13.990 88 H VAL 12 HN VAL 12 80.874 -8.809 9.166 89 HA VAL 12 HA VAL 12 81.571 -6.088 9.832 90 HB VAL 12 HB VAL 12 81.244 -5.674 7.391 91 1HG1 VAL 12 HG11 VAL 12 83.400 -6.485 7.999 92 2HG1 VAL 12 HG12 VAL 12 82.894 -7.496 6.645 93 3HG1 VAL 12 HG13 VAL 12 82.788 -8.112 8.295 94 1HG2 VAL 12 HG21 VAL 12 80.258 -8.543 7.466 95 2HG2 VAL 12 HG22 VAL 12 80.670 -7.677 5.986 96 3HG2 VAL 12 HG23 VAL 12 79.330 -7.122 6.989 97 H GLU 13 HN GLU 13 78.552 -7.729 9.020 98 HA GLU 13 HA GLU 13 76.927 -5.439 8.588 99 1HB GLU 13 HB2 GLU 13 76.197 -7.785 8.162 100 2HB GLU 13 HB1 GLU 13 76.120 -8.051 9.904 101 1HG GLU 13 HG2 GLU 13 74.445 -6.263 10.120 102 2HG GLU 13 HG1 GLU 13 74.534 -5.959 8.384 103 H GLN 14 HN GLN 14 77.766 -7.152 11.606 104 HA GLN 14 HA GLN 14 76.155 -5.495 13.313 105 1HB GLN 14 HB2 GLN 14 77.078 -7.668 14.050 106 2HB GLN 14 HB1 GLN 14 78.711 -7.007 13.951 107 1HG GLN 14 HG2 GLN 14 78.199 -5.359 15.670 108 2HG GLN 14 HG1 GLN 14 76.515 -5.885 15.716 109 1HE2 GLN 14 HE21 GLN 14 78.237 -5.985 18.040 110 2HE2 GLN 14 HE22 GLN 14 78.458 -7.617 18.452 111 H LEU 15 HN LEU 15 79.433 -5.202 12.029 112 HA LEU 15 HA LEU 15 80.288 -3.033 13.681 113 1HB LEU 15 HB2 LEU 15 81.849 -4.295 12.252 114 2HB LEU 15 HB1 LEU 15 81.038 -3.680 10.811 115 HG LEU 15 HG LEU 15 81.624 -1.374 11.460 116 1HD1 LEU 15 HD11 LEU 15 83.496 -1.382 13.354 117 2HD1 LEU 15 HD12 LEU 15 82.615 -2.813 13.888 118 3HD1 LEU 15 HD13 LEU 15 81.786 -1.261 13.767 119 1HD2 LEU 15 HD21 LEU 15 84.309 -2.317 11.702 120 2HD2 LEU 15 HD22 LEU 15 83.492 -1.730 10.253 121 3HD2 LEU 15 HD23 LEU 15 83.437 -3.445 10.664 122 H LYS 16 HN LYS 16 78.535 -3.129 10.592 123 HA LYS 16 HA LYS 16 78.452 -0.323 10.120 124 1HB LYS 16 HB2 LYS 16 77.787 -1.987 8.424 125 2HB LYS 16 HB1 LYS 16 76.391 -2.432 9.406 126 1HG LYS 16 HG2 LYS 16 75.493 -0.163 9.211 127 2HG LYS 16 HG1 LYS 16 76.914 0.341 8.296 128 1HD LYS 16 HD2 LYS 16 76.361 -1.304 6.535 129 2HD LYS 16 HD1 LYS 16 74.927 -1.787 7.444 130 1HE LYS 16 HE2 LYS 16 74.042 0.508 7.278 131 2HE LYS 16 HE1 LYS 16 75.475 0.998 6.375 132 1HZ LYS 16 HZ1 LYS 16 73.337 0.288 5.122 133 2HZ LYS 16 HZ2 LYS 16 73.888 -1.289 5.433 134 3HZ LYS 16 HZ3 LYS 16 74.852 -0.208 4.545 135 H GLN 17 HN GLN 17 76.313 -2.445 12.010 136 HA GLN 17 HA GLN 17 74.301 -0.542 12.616 137 1HB GLN 17 HB2 GLN 17 75.397 -2.814 14.302 138 2HB GLN 17 HB1 GLN 17 73.922 -1.921 14.677 139 1HG GLN 17 HG2 GLN 17 72.932 -2.606 12.543 140 2HG GLN 17 HG1 GLN 17 74.420 -3.445 12.104 141 1HE2 GLN 17 HE21 GLN 17 72.612 -5.279 12.029 142 2HE2 GLN 17 HE22 GLN 17 72.415 -6.162 13.465 143 H ALA 18 HN ALA 18 77.360 -1.257 14.304 144 HA ALA 18 HA ALA 18 77.004 0.707 16.367 145 1HB ALA 18 HB1 ALA 18 79.147 0.149 17.033 146 2HB ALA 18 HB2 ALA 18 79.746 0.043 15.378 147 3HB ALA 18 HB3 ALA 18 78.774 -1.266 16.049 148 H LEU 19 HN LEU 19 78.521 0.827 13.155 149 HA LEU 19 HA LEU 19 79.544 3.498 13.412 150 1HB LEU 19 HB2 LEU 19 78.730 1.902 10.965 151 2HB LEU 19 HB1 LEU 19 79.574 3.450 10.901 152 HG LEU 19 HG LEU 19 80.613 1.020 12.383 153 1HD1 LEU 19 HD11 LEU 19 81.073 2.037 9.582 154 2HD1 LEU 19 HD12 LEU 19 80.747 0.387 10.117 155 3HD1 LEU 19 HD13 LEU 19 82.322 1.120 10.425 156 1HD2 LEU 19 HD21 LEU 19 82.752 2.590 11.894 157 2HD2 LEU 19 HD22 LEU 19 81.770 2.754 13.350 158 3HD2 LEU 19 HD23 LEU 19 81.503 3.832 11.980 159 H LYS 20 HN LYS 20 76.440 2.196 12.286 160 HA LYS 20 HA LYS 20 75.328 4.607 11.285 161 1HB LYS 20 HB2 LYS 20 74.298 2.337 11.047 162 2HB LYS 20 HB1 LYS 20 73.859 2.397 12.756 163 1HG LYS 20 HG2 LYS 20 72.503 4.399 12.366 164 2HG LYS 20 HG1 LYS 20 72.984 4.418 10.670 165 1HD LYS 20 HD2 LYS 20 71.926 2.215 10.338 166 2HD LYS 20 HD1 LYS 20 71.447 2.188 12.035 167 1HE LYS 20 HE2 LYS 20 70.075 4.191 11.711 168 2HE LYS 20 HE1 LYS 20 70.595 4.295 10.028 169 1HZ LYS 20 HZ1 LYS 20 68.832 3.034 9.590 170 2HZ LYS 20 HZ2 LYS 20 68.596 2.625 11.221 171 3HZ LYS 20 HZ3 LYS 20 69.695 1.743 10.272 172 H THR 21 HN THR 21 75.351 3.269 14.586 173 HA THR 21 HA THR 21 73.780 5.336 15.781 174 HB THR 21 HB THR 21 74.870 4.602 17.910 175 HG1 THR 21 HG1 THR 21 76.567 3.459 16.036 176 1HG2 THR 21 HG21 THR 21 73.913 2.473 15.984 177 2HG2 THR 21 HG22 THR 21 72.952 3.351 17.174 178 3HG2 THR 21 HG23 THR 21 74.160 2.181 17.705 179 H ARG 22 HN ARG 22 77.190 5.130 14.935 180 HA ARG 22 HA ARG 22 77.991 7.476 16.436 181 1HB ARG 22 HB2 ARG 22 79.239 6.010 14.095 182 2HB ARG 22 HB1 ARG 22 80.001 7.388 14.888 183 1HG ARG 22 HG2 ARG 22 79.918 6.179 17.049 184 2HG ARG 22 HG1 ARG 22 79.199 4.790 16.232 185 1HD ARG 22 HD2 ARG 22 81.196 4.594 14.798 186 2HD ARG 22 HD1 ARG 22 81.918 5.983 15.610 187 HE ARG 22 HE ARG 22 81.163 3.829 17.435 188 1HH1 ARG 22 HH21 ARG 22 83.534 5.152 15.308 189 2HH1 ARG 22 HH22 ARG 22 84.866 4.373 16.094 190 1HH2 ARG 22 HH11 ARG 22 82.889 2.805 18.473 191 2HH2 ARG 22 HH12 ARG 22 84.501 3.044 17.886 192 H GLY 23 HN GLY 23 76.291 6.980 13.489 193 1HA GLY 23 HA2 GLY 23 75.123 8.994 12.588 194 2HA GLY 23 HA1 GLY 23 76.627 9.883 12.846 195 H VAL 24 HN VAL 24 76.036 6.677 11.388 196 HA VAL 24 HA VAL 24 77.383 7.702 8.919 197 HB VAL 24 HB VAL 24 77.472 4.947 10.182 198 1HG1 VAL 24 HG11 VAL 24 78.210 5.948 7.447 199 2HG1 VAL 24 HG12 VAL 24 77.447 4.426 7.908 200 3HG1 VAL 24 HG13 VAL 24 79.171 4.668 8.187 201 1HG2 VAL 24 HG21 VAL 24 80.034 5.963 9.569 202 2HG2 VAL 24 HG22 VAL 24 79.318 5.784 11.171 203 3HG2 VAL 24 HG23 VAL 24 79.150 7.305 10.294 204 H LYS 25 HN LYS 25 76.191 7.535 7.067 205 HA LYS 25 HA LYS 25 73.867 5.654 7.080 206 1HB LYS 25 HB2 LYS 25 73.892 8.464 5.933 207 2HB LYS 25 HB1 LYS 25 72.531 7.342 5.905 208 1HG LYS 25 HG2 LYS 25 73.848 8.257 8.472 209 2HG LYS 25 HG1 LYS 25 72.463 9.085 7.758 210 1HD LYS 25 HD2 LYS 25 71.283 6.819 7.753 211 2HD LYS 25 HD1 LYS 25 72.597 6.242 8.778 212 1HE LYS 25 HE2 LYS 25 72.092 7.939 10.455 213 2HE LYS 25 HE1 LYS 25 70.851 8.637 9.414 214 1HZ LYS 25 HZ1 LYS 25 70.817 6.127 10.926 215 2HZ LYS 25 HZ2 LYS 25 69.948 6.202 9.468 216 3HZ LYS 25 HZ3 LYS 25 69.593 7.285 10.727 217 H VAL 26 HN VAL 26 74.817 4.130 5.720 218 HA VAL 26 HA VAL 26 75.373 5.077 2.949 219 HB VAL 26 HB VAL 26 77.280 3.495 2.818 220 1HG1 VAL 26 HG11 VAL 26 78.821 4.782 4.307 221 2HG1 VAL 26 HG12 VAL 26 77.416 5.519 5.073 222 3HG1 VAL 26 HG13 VAL 26 77.752 5.826 3.370 223 1HG2 VAL 26 HG21 VAL 26 78.151 2.573 4.986 224 2HG2 VAL 26 HG22 VAL 26 76.593 1.892 4.514 225 3HG2 VAL 26 HG23 VAL 26 76.671 3.131 5.768 226 H LYS 27 HN LYS 27 75.148 3.311 1.345 227 HA LYS 27 HA LYS 27 72.838 1.656 1.950 228 1HB LYS 27 HB2 LYS 27 74.664 1.755 -0.470 229 2HB LYS 27 HB1 LYS 27 73.178 0.811 -0.382 230 1HG LYS 27 HG2 LYS 27 71.868 2.844 -0.010 231 2HG LYS 27 HG1 LYS 27 73.340 3.814 0.001 232 1HD LYS 27 HD2 LYS 27 73.807 3.146 -2.326 233 2HD LYS 27 HD1 LYS 27 72.337 2.171 -2.342 234 1HE LYS 27 HE2 LYS 27 70.967 4.159 -1.984 235 2HE LYS 27 HE1 LYS 27 72.412 5.160 -1.839 236 1HZ LYS 27 HZ1 LYS 27 72.845 5.026 -4.061 237 2HZ LYS 27 HZ2 LYS 27 71.148 4.952 -4.099 238 3HZ LYS 27 HZ3 LYS 27 72.067 3.531 -4.251 239 H TYR 28 HN TYR 28 72.785 -0.594 2.230 240 HA TYR 28 HA TYR 28 75.051 -1.839 3.438 241 1HB TYR 28 HB2 TYR 28 72.494 -2.953 2.266 242 2HB TYR 28 HB1 TYR 28 73.705 -3.982 3.029 243 HD1 TYR 28 HD1 TYR 28 73.959 -4.060 5.403 244 HD2 TYR 28 HD2 TYR 28 71.406 -1.117 3.595 245 HE1 TYR 28 HE1 TYR 28 73.057 -3.469 7.637 246 HE2 TYR 28 HE2 TYR 28 70.504 -0.526 5.829 247 HH TYR 28 HH TYR 28 71.913 -1.184 8.610 248 H ALA 29 HN ALA 29 73.748 -2.008 0.134 249 HA ALA 29 HA ALA 29 75.430 -4.014 -0.909 250 1HB ALA 29 HB1 ALA 29 75.250 -2.446 -3.058 251 2HB ALA 29 HB2 ALA 29 74.042 -1.629 -2.065 252 3HB ALA 29 HB3 ALA 29 73.851 -3.337 -2.460 253 H ASP 30 HN ASP 30 76.118 -0.641 -0.177 254 HA ASP 30 HA ASP 30 78.588 -0.431 -1.604 255 1HB ASP 30 HB2 ASP 30 77.382 1.515 -0.629 256 2HB ASP 30 HB1 ASP 30 77.794 0.937 0.986 257 H LEU 31 HN LEU 31 77.818 -1.589 1.664 258 HA LEU 31 HA LEU 31 80.512 -1.925 2.555 259 1HB LEU 31 HB2 LEU 31 77.866 -3.119 3.319 260 2HB LEU 31 HB1 LEU 31 79.347 -3.814 3.981 261 HG LEU 31 HG LEU 31 78.335 -2.010 5.419 262 1HD1 LEU 31 HD11 LEU 31 80.998 -2.501 4.760 263 2HD1 LEU 31 HD12 LEU 31 80.429 -1.579 6.152 264 3HD1 LEU 31 HD13 LEU 31 80.857 -0.746 4.657 265 1HD2 LEU 31 HD21 LEU 31 78.292 0.244 4.685 266 2HD2 LEU 31 HD22 LEU 31 77.664 -0.665 3.311 267 3HD2 LEU 31 HD23 LEU 31 79.334 -0.098 3.304 268 H LEU 32 HN LEU 32 78.280 -4.184 0.923 269 HA LEU 32 HA LEU 32 80.090 -6.396 0.848 270 1HB LEU 32 HB2 LEU 32 77.827 -5.637 -1.026 271 2HB LEU 32 HB1 LEU 32 78.651 -7.197 -1.038 272 HG LEU 32 HG LEU 32 77.256 -6.038 1.390 273 1HD1 LEU 32 HD11 LEU 32 76.331 -7.980 -0.735 274 2HD1 LEU 32 HD12 LEU 32 75.531 -6.508 -0.188 275 3HD1 LEU 32 HD13 LEU 32 75.596 -7.919 0.867 276 1HD2 LEU 32 HD21 LEU 32 78.658 -7.601 2.316 277 2HD2 LEU 32 HD22 LEU 32 78.853 -8.475 0.796 278 3HD2 LEU 32 HD23 LEU 32 77.404 -8.715 1.772 279 H LYS 33 HN LYS 33 79.499 -3.743 -1.460 280 HA LYS 33 HA LYS 33 81.341 -4.681 -3.449 281 1HB LYS 33 HB2 LYS 33 80.340 -1.894 -2.798 282 2HB LYS 33 HB1 LYS 33 81.320 -2.278 -4.214 283 1HG LYS 33 HG2 LYS 33 79.615 -3.861 -4.993 284 2HG LYS 33 HG1 LYS 33 78.641 -3.541 -3.557 285 1HD LYS 33 HD2 LYS 33 78.411 -1.185 -4.216 286 2HD LYS 33 HD1 LYS 33 79.420 -1.473 -5.634 287 1HE LYS 33 HE2 LYS 33 77.767 -3.131 -6.454 288 2HE LYS 33 HE1 LYS 33 76.747 -2.785 -5.058 289 1HZ LYS 33 HZ1 LYS 33 76.004 -0.923 -5.987 290 2HZ LYS 33 HZ2 LYS 33 76.675 -1.483 -7.444 291 3HZ LYS 33 HZ3 LYS 33 77.556 -0.419 -6.452 292 H PHE 34 HN PHE 34 81.725 -2.578 -0.615 293 HA PHE 34 HA PHE 34 84.377 -1.701 -1.117 294 1HB PHE 34 HB2 PHE 34 83.244 -0.656 0.684 295 2HB PHE 34 HB1 PHE 34 82.836 -2.200 1.431 296 HD1 PHE 34 HD1 PHE 34 85.997 -0.623 0.147 297 HD2 PHE 34 HD2 PHE 34 83.998 -2.574 3.410 298 HE1 PHE 34 HE1 PHE 34 88.085 -0.530 1.481 299 HE2 PHE 34 HE2 PHE 34 86.086 -2.481 4.744 300 HZ PHE 34 HZ PHE 34 88.130 -1.458 3.780 301 H PHE 35 HN PHE 35 83.246 -4.565 0.709 302 HA PHE 35 HA PHE 35 85.859 -5.572 1.289 303 1HB PHE 35 HB2 PHE 35 83.200 -6.998 0.992 304 2HB PHE 35 HB1 PHE 35 84.666 -7.765 1.605 305 HD1 PHE 35 HD1 PHE 35 81.723 -6.174 2.588 306 HD2 PHE 35 HD2 PHE 35 85.927 -6.242 3.466 307 HE1 PHE 35 HE1 PHE 35 81.267 -5.248 4.843 308 HE2 PHE 35 HE2 PHE 35 85.470 -5.316 5.721 309 HZ PHE 35 HZ PHE 35 83.141 -4.819 6.410 310 H ASP 36 HN ASP 36 83.609 -6.247 -1.399 311 HA ASP 36 HA ASP 36 85.210 -8.208 -2.698 312 1HB ASP 36 HB2 ASP 36 82.842 -7.694 -3.296 313 2HB ASP 36 HB1 ASP 36 83.379 -6.166 -3.998 314 H PHE 37 HN PHE 37 85.249 -4.668 -2.857 315 HA PHE 37 HA PHE 37 87.099 -4.412 -5.014 316 1HB PHE 37 HB2 PHE 37 85.786 -2.519 -4.069 317 2HB PHE 37 HB1 PHE 37 86.773 -2.590 -2.609 318 HD1 PHE 37 HD1 PHE 37 88.804 -1.415 -2.495 319 HD2 PHE 37 HD2 PHE 37 87.034 -2.223 -6.325 320 HE1 PHE 37 HE1 PHE 37 90.526 -0.004 -3.589 321 HE2 PHE 37 HE2 PHE 37 88.756 -0.812 -7.419 322 HZ PHE 37 HZ PHE 37 90.502 0.297 -6.051 323 H VAL 38 HN VAL 38 87.644 -4.580 -1.487 324 HA VAL 38 HA VAL 38 90.481 -4.352 -1.585 325 HB VAL 38 HB VAL 38 88.734 -5.858 0.387 326 1HG1 VAL 38 HG11 VAL 38 91.637 -5.501 0.148 327 2HG1 VAL 38 HG12 VAL 38 90.723 -6.619 1.161 328 3HG1 VAL 38 HG13 VAL 38 91.000 -4.964 1.702 329 1HG2 VAL 38 HG21 VAL 38 88.408 -3.865 1.474 330 2HG2 VAL 38 HG22 VAL 38 88.676 -3.198 -0.136 331 3HG2 VAL 38 HG23 VAL 38 89.999 -3.246 1.029 332 H LYS 39 HN LYS 39 88.380 -7.238 -1.684 333 HA LYS 39 HA LYS 39 90.569 -9.107 -1.896 334 1HB LYS 39 HB2 LYS 39 87.645 -9.326 -2.670 335 2HB LYS 39 HB1 LYS 39 88.778 -10.677 -2.716 336 1HG LYS 39 HG2 LYS 39 89.241 -10.362 -0.304 337 2HG LYS 39 HG1 LYS 39 88.076 -9.038 -0.263 338 1HD LYS 39 HD2 LYS 39 86.310 -10.624 -1.046 339 2HD LYS 39 HD1 LYS 39 87.485 -11.935 -0.936 340 1HE LYS 39 HE2 LYS 39 87.781 -11.483 1.466 341 2HE LYS 39 HE1 LYS 39 86.625 -10.155 1.364 342 1HZ LYS 39 HZ1 LYS 39 85.554 -12.539 0.249 343 2HZ LYS 39 HZ2 LYS 39 84.941 -11.568 1.502 344 3HZ LYS 39 HZ3 LYS 39 86.057 -12.801 1.848 345 H ASP 40 HN ASP 40 88.871 -7.088 -4.174 346 HA ASP 40 HA ASP 40 89.703 -8.528 -6.552 347 1HB ASP 40 HB2 ASP 40 88.704 -5.704 -6.105 348 2HB ASP 40 HB1 ASP 40 89.069 -6.360 -7.701 349 H THR 41 HN THR 41 91.259 -6.339 -4.388 350 HA THR 41 HA THR 41 93.045 -4.969 -6.085 351 HB THR 41 HB THR 41 93.828 -6.105 -3.392 352 HG1 THR 41 HG1 THR 41 92.914 -3.798 -2.930 353 1HG2 THR 41 HG21 THR 41 95.555 -4.658 -3.510 354 2HG2 THR 41 HG22 THR 41 94.507 -3.344 -4.043 355 3HG2 THR 41 HG23 THR 41 95.161 -4.484 -5.220 356 H CYS 42 HN CYS 42 93.291 -8.247 -4.727 357 HA CYS 42 HA CYS 42 95.508 -8.753 -6.667 358 1HB CYS 42 HB2 CYS 42 95.477 -9.052 -3.764 359 2HB CYS 42 HB1 CYS 42 95.890 -10.560 -4.580 360 HG CYS 42 HG CYS 42 97.670 -8.109 -4.424 361 HA PRO 43 HA PRO 43 93.284 -13.060 -5.569 362 1HB PRO 43 HB2 PRO 43 90.715 -11.767 -4.754 363 2HB PRO 43 HB1 PRO 43 91.469 -13.256 -4.152 364 1HG PRO 43 HG2 PRO 43 91.536 -10.900 -2.815 365 2HG PRO 43 HG1 PRO 43 92.784 -12.149 -2.671 366 1HD PRO 43 HD2 PRO 43 93.038 -9.483 -3.889 367 2HD PRO 43 HD1 PRO 43 94.256 -10.693 -3.431 368 H TRP 44 HN TRP 44 91.432 -10.228 -6.703 369 HA TRP 44 HA TRP 44 90.998 -11.647 -9.279 370 1HB TRP 44 HB2 TRP 44 88.798 -10.306 -7.676 371 2HB TRP 44 HB1 TRP 44 88.620 -10.960 -9.305 372 HD1 TRP 44 HD1 TRP 44 89.718 -13.689 -9.340 373 HE1 TRP 44 HE1 TRP 44 88.960 -15.581 -7.762 374 HE3 TRP 44 HE3 TRP 44 87.698 -10.922 -5.555 375 HZ2 TRP 44 HZ2 TRP 44 87.665 -15.880 -5.227 376 HZ3 TRP 44 HZ3 TRP 44 86.710 -12.034 -3.573 377 HH2 TRP 44 HH2 TRP 44 86.691 -14.507 -3.404 378 H PHE 45 HN PHE 45 91.834 -10.286 -10.778 379 HA PHE 45 HA PHE 45 92.366 -7.509 -10.272 380 1HB PHE 45 HB2 PHE 45 92.973 -9.414 -12.295 381 2HB PHE 45 HB1 PHE 45 92.224 -8.030 -13.092 382 HD1 PHE 45 HD1 PHE 45 93.704 -6.396 -13.818 383 HD2 PHE 45 HD2 PHE 45 94.612 -8.595 -10.242 384 HE1 PHE 45 HE1 PHE 45 95.806 -5.104 -13.558 385 HE2 PHE 45 HE2 PHE 45 96.714 -7.303 -9.981 386 HZ PHE 45 HZ PHE 45 97.310 -5.558 -11.639 387 HA PRO 46 HA PRO 46 88.479 -6.965 -13.223 388 1HB PRO 46 HB2 PRO 46 86.886 -9.291 -12.305 389 2HB PRO 46 HB1 PRO 46 87.126 -8.665 -13.947 390 1HG PRO 46 HG2 PRO 46 88.268 -10.931 -13.138 391 2HG PRO 46 HG1 PRO 46 89.088 -9.816 -14.245 392 1HD PRO 46 HD2 PRO 46 89.562 -10.219 -11.301 393 2HD PRO 46 HD1 PRO 46 90.749 -9.896 -12.583 394 H GLN 47 HN GLN 47 86.952 -5.537 -12.431 395 HA GLN 47 HA GLN 47 86.146 -5.882 -9.570 396 1HB GLN 47 HB2 GLN 47 86.719 -3.377 -11.171 397 2HB GLN 47 HB1 GLN 47 85.901 -3.349 -9.608 398 1HG GLN 47 HG2 GLN 47 87.814 -4.393 -8.529 399 2HG GLN 47 HG1 GLN 47 88.623 -4.598 -10.084 400 1HE2 GLN 47 HE21 GLN 47 90.262 -3.213 -8.623 401 2HE2 GLN 47 HE22 GLN 47 90.143 -1.531 -8.824 402 H GLU 48 HN GLU 48 83.959 -5.426 -9.050 403 HA GLU 48 HA GLU 48 82.140 -4.782 -11.313 404 1HB GLU 48 HB2 GLU 48 81.890 -7.195 -9.494 405 2HB GLU 48 HB1 GLU 48 80.614 -6.632 -10.575 406 1HG GLU 48 HG2 GLU 48 82.143 -6.901 -12.505 407 2HG GLU 48 HG1 GLU 48 83.396 -7.500 -11.418 408 H GLY 49 HN GLY 49 80.020 -4.037 -10.574 409 1HA GLY 49 HA2 GLY 49 78.503 -3.198 -8.925 410 2HA GLY 49 HA1 GLY 49 79.717 -3.513 -7.684 411 H THR 50 HN THR 50 78.367 -1.060 -7.748 412 HA THR 50 HA THR 50 80.477 0.795 -8.779 413 HB THR 50 HB THR 50 77.521 1.266 -8.288 414 HG1 THR 50 HG1 THR 50 78.796 0.341 -10.336 415 1HG2 THR 50 HG21 THR 50 78.340 3.348 -7.740 416 2HG2 THR 50 HG22 THR 50 78.320 3.514 -9.496 417 3HG2 THR 50 HG23 THR 50 79.825 3.122 -8.665 418 H ILE 51 HN ILE 51 81.585 1.938 -7.254 419 HA ILE 51 HA ILE 51 80.859 1.566 -4.425 420 HB ILE 51 HB ILE 51 83.252 2.287 -5.941 421 1HG1 ILE 51 HG12 ILE 51 82.745 0.326 -4.314 422 2HG1 ILE 51 HG11 ILE 51 84.324 1.104 -4.197 423 1HG2 ILE 51 HG21 ILE 51 82.485 3.894 -3.492 424 2HG2 ILE 51 HG22 ILE 51 82.971 4.504 -5.074 425 3HG2 ILE 51 HG23 ILE 51 84.154 3.713 -4.033 426 1HD1 ILE 51 HD11 ILE 51 82.900 0.704 -2.017 427 2HD1 ILE 51 HD12 ILE 51 82.051 2.156 -2.545 428 3HD1 ILE 51 HD13 ILE 51 83.784 2.216 -2.223 429 H ASP 52 HN ASP 52 79.959 3.137 -3.137 430 HA ASP 52 HA ASP 52 78.909 5.542 -4.433 431 1HB ASP 52 HB2 ASP 52 78.727 4.426 -1.629 432 2HB ASP 52 HB1 ASP 52 78.043 5.993 -2.065 433 H ILE 53 HN ILE 53 79.690 7.625 -4.188 434 HA ILE 53 HA ILE 53 82.403 8.026 -3.408 435 HB ILE 53 HB ILE 53 80.216 10.124 -3.529 436 1HG1 ILE 53 HG12 ILE 53 82.039 9.128 -5.742 437 2HG1 ILE 53 HG11 ILE 53 80.338 8.689 -5.581 438 1HG2 ILE 53 HG21 ILE 53 82.387 10.817 -2.515 439 2HG2 ILE 53 HG22 ILE 53 82.064 11.643 -4.038 440 3HG2 ILE 53 HG23 ILE 53 83.210 10.304 -3.989 441 1HD1 ILE 53 HD11 ILE 53 79.733 10.593 -6.612 442 2HD1 ILE 53 HD12 ILE 53 81.433 11.016 -6.810 443 3HD1 ILE 53 HD13 ILE 53 80.556 11.537 -5.371 444 H LYS 54 HN LYS 54 79.447 8.006 -1.568 445 HA LYS 54 HA LYS 54 80.335 9.542 0.684 446 1HB LYS 54 HB2 LYS 54 78.336 7.267 0.503 447 2HB LYS 54 HB1 LYS 54 78.554 8.287 1.926 448 1HG LYS 54 HG2 LYS 54 78.059 9.561 -0.750 449 2HG LYS 54 HG1 LYS 54 76.703 8.910 0.171 450 1HD LYS 54 HD2 LYS 54 77.399 10.282 2.124 451 2HD LYS 54 HD1 LYS 54 78.695 10.977 1.149 452 1HE LYS 54 HE2 LYS 54 76.971 11.774 -0.483 453 2HE LYS 54 HE1 LYS 54 75.720 11.195 0.615 454 1HZ LYS 54 HZ1 LYS 54 77.741 13.299 1.144 455 2HZ LYS 54 HZ2 LYS 54 76.740 12.634 2.346 456 3HZ LYS 54 HZ3 LYS 54 76.059 13.489 1.045 457 H PHE 55 HN PHE 55 80.633 6.101 -0.142 458 HA PHE 55 HA PHE 55 81.993 5.519 2.402 459 1HB PHE 55 HB2 PHE 55 80.468 3.958 0.849 460 2HB PHE 55 HB1 PHE 55 82.032 3.587 0.124 461 HD1 PHE 55 HD1 PHE 55 83.902 2.725 1.576 462 HD2 PHE 55 HD2 PHE 55 79.874 3.136 3.009 463 HE1 PHE 55 HE1 PHE 55 84.423 1.217 3.474 464 HE2 PHE 55 HE2 PHE 55 80.394 1.628 4.907 465 HZ PHE 55 HZ PHE 55 82.670 0.669 5.140 466 H TRP 56 HN TRP 56 82.875 6.797 -0.605 467 HA TRP 56 HA TRP 56 85.393 5.594 -1.102 468 1HB TRP 56 HB2 TRP 56 84.524 7.077 -2.758 469 2HB TRP 56 HB1 TRP 56 84.364 8.395 -1.596 470 HD1 TRP 56 HD1 TRP 56 87.461 6.155 -1.950 471 HE1 TRP 56 HE1 TRP 56 89.468 7.633 -2.611 472 HE3 TRP 56 HE3 TRP 56 85.081 10.621 -2.630 473 HZ2 TRP 56 HZ2 TRP 56 89.994 10.350 -3.333 474 HZ3 TRP 56 HZ3 TRP 56 86.357 12.636 -3.304 475 HH2 TRP 56 HH2 TRP 56 88.807 12.506 -3.657 476 H ARG 57 HN ARG 57 84.490 8.208 1.122 477 HA ARG 57 HA ARG 57 87.135 8.977 1.865 478 1HB ARG 57 HB2 ARG 57 84.862 8.970 3.838 479 2HB ARG 57 HB1 ARG 57 86.137 10.170 3.620 480 1HG ARG 57 HG2 ARG 57 83.827 9.635 1.730 481 2HG ARG 57 HG1 ARG 57 84.048 11.065 2.738 482 1HD ARG 57 HD2 ARG 57 85.765 10.180 0.405 483 2HD ARG 57 HD1 ARG 57 84.791 11.646 0.524 484 HE ARG 57 HE ARG 57 86.688 11.627 2.659 485 1HH1 ARG 57 HH21 ARG 57 86.421 11.902 -0.768 486 2HH1 ARG 57 HH22 ARG 57 87.833 12.892 -0.931 487 1HH2 ARG 57 HH11 ARG 57 88.532 12.919 2.464 488 2HH2 ARG 57 HH12 ARG 57 89.027 13.469 0.898 489 H ARG 58 HN ARG 58 84.989 6.430 3.099 490 HA ARG 58 HA ARG 58 86.743 5.654 5.260 491 1HB ARG 58 HB2 ARG 58 84.507 4.210 3.814 492 2HB ARG 58 HB1 ARG 58 85.370 3.517 5.188 493 1HG ARG 58 HG2 ARG 58 84.713 5.415 6.592 494 2HG ARG 58 HG1 ARG 58 83.898 6.167 5.220 495 1HD ARG 58 HD2 ARG 58 82.241 5.019 6.589 496 2HD ARG 58 HD1 ARG 58 82.414 4.162 5.057 497 HE ARG 58 HE ARG 58 84.218 2.961 6.868 498 1HH1 ARG 58 HH21 ARG 58 80.838 3.512 6.469 499 2HH1 ARG 58 HH22 ARG 58 80.369 2.069 7.303 500 1HH2 ARG 58 HH11 ARG 58 83.625 1.074 7.960 501 2HH2 ARG 58 HH12 ARG 58 81.947 0.688 8.147 502 H VAL 59 HN VAL 59 86.386 4.645 1.884 503 HA VAL 59 HA VAL 59 88.148 2.386 2.030 504 HB VAL 59 HB VAL 59 87.405 4.197 -0.286 505 1HG1 VAL 59 HG11 VAL 59 89.326 3.229 -1.133 506 2HG1 VAL 59 HG12 VAL 59 88.172 1.947 -1.500 507 3HG1 VAL 59 HG13 VAL 59 89.208 1.820 -0.078 508 1HG2 VAL 59 HG21 VAL 59 86.413 1.549 -0.535 509 2HG2 VAL 59 HG22 VAL 59 85.485 3.018 -0.241 510 3HG2 VAL 59 HG23 VAL 59 86.074 2.061 1.119 511 H GLY 60 HN GLY 60 88.700 5.819 1.270 512 1HA GLY 60 HA2 GLY 60 91.454 5.592 0.582 513 2HA GLY 60 HA1 GLY 60 90.694 7.054 1.211 514 H ASP 61 HN ASP 61 89.925 6.313 3.738 515 HA ASP 61 HA ASP 61 92.401 6.415 5.190 516 1HB ASP 61 HB2 ASP 61 90.301 7.356 6.082 517 2HB ASP 61 HB1 ASP 61 89.612 5.736 6.176 518 H CYS 62 HN CYS 62 90.108 3.786 4.509 519 HA CYS 62 HA CYS 62 91.376 1.826 6.171 520 1HB CYS 62 HB2 CYS 62 89.729 1.500 3.645 521 2HB CYS 62 HB1 CYS 62 90.181 0.177 4.720 522 HG CYS 62 HG CYS 62 87.773 1.681 5.179 523 H PHE 63 HN PHE 63 91.628 2.355 2.632 524 HA PHE 63 HA PHE 63 93.686 0.438 2.200 525 1HB PHE 63 HB2 PHE 63 92.634 2.808 0.728 526 2HB PHE 63 HB1 PHE 63 94.223 2.209 0.253 527 HD1 PHE 63 HD1 PHE 63 94.193 0.706 -1.517 528 HD2 PHE 63 HD2 PHE 63 90.943 0.691 1.292 529 HE1 PHE 63 HE1 PHE 63 93.123 -1.151 -2.765 530 HE2 PHE 63 HE2 PHE 63 89.873 -1.166 0.045 531 HZ PHE 63 HZ PHE 63 90.964 -2.088 -1.984 532 H GLN 64 HN GLN 64 93.883 3.928 2.915 533 HA GLN 64 HA GLN 64 96.718 4.148 2.795 534 1HB GLN 64 HB2 GLN 64 95.111 6.072 2.962 535 2HB GLN 64 HB1 GLN 64 94.861 5.656 4.658 536 1HG GLN 64 HG2 GLN 64 97.233 6.002 5.131 537 2HG GLN 64 HG1 GLN 64 97.551 6.320 3.425 538 1HE2 GLN 64 HE21 GLN 64 97.776 8.529 3.076 539 2HE2 GLN 64 HE22 GLN 64 96.871 9.739 3.850 540 H ASP 65 HN ASP 65 94.557 3.146 5.426 541 HA ASP 65 HA ASP 65 96.554 3.019 7.473 542 1HB ASP 65 HB2 ASP 65 93.870 1.745 7.045 543 2HB ASP 65 HB1 ASP 65 94.898 1.160 8.353 544 H TYR 66 HN TYR 66 95.435 0.632 5.085 545 HA TYR 66 HA TYR 66 97.050 -1.533 6.063 546 1HB TYR 66 HB2 TYR 66 95.721 -0.930 3.425 547 2HB TYR 66 HB1 TYR 66 96.762 -2.342 3.607 548 HD1 TYR 66 HD1 TYR 66 96.293 -3.814 5.759 549 HD2 TYR 66 HD2 TYR 66 93.456 -1.133 3.966 550 HE1 TYR 66 HE1 TYR 66 94.437 -5.046 6.849 551 HE2 TYR 66 HE2 TYR 66 91.601 -2.365 5.057 552 HH TYR 66 HH TYR 66 92.108 -5.400 6.665 553 H TYR 67 HN TYR 67 97.628 1.034 3.680 554 HA TYR 67 HA TYR 67 100.105 0.076 2.665 555 1HB TYR 67 HB2 TYR 67 99.271 1.894 1.469 556 2HB TYR 67 HB1 TYR 67 98.849 2.790 2.928 557 HD1 TYR 67 HD1 TYR 67 101.820 1.437 1.087 558 HD2 TYR 67 HD2 TYR 67 100.284 4.463 3.721 559 HE1 TYR 67 HE1 TYR 67 103.994 2.625 0.989 560 HE2 TYR 67 HE2 TYR 67 102.459 5.652 3.623 561 HH TYR 67 HH TYR 67 104.712 5.317 3.088 562 H ASN 68 HN ASN 68 99.507 2.384 5.341 563 HA ASN 68 HA ASN 68 102.276 2.520 6.116 564 1HB ASN 68 HB2 ASN 68 99.712 3.151 7.601 565 2HB ASN 68 HB1 ASN 68 101.314 3.443 8.277 566 1HD2 ASN 68 HD21 ASN 68 99.244 5.470 7.483 567 2HD2 ASN 68 HD22 ASN 68 100.001 6.463 6.334 568 H THR 69 HN THR 69 99.633 0.349 6.911 569 HA THR 69 HA THR 69 100.739 -0.819 9.268 570 HB THR 69 HB THR 69 98.994 -2.097 7.139 571 HG1 THR 69 HG1 THR 69 98.030 -1.251 9.599 572 1HG2 THR 69 HG21 THR 69 98.469 -3.169 9.683 573 2HG2 THR 69 HG22 THR 69 100.227 -3.130 9.546 574 3HG2 THR 69 HG23 THR 69 99.267 -3.981 8.337 575 H PHE 70 HN PHE 70 101.028 -1.786 5.838 576 HA PHE 70 HA PHE 70 103.496 -3.288 6.611 577 1HB PHE 70 HB2 PHE 70 101.133 -4.444 5.696 578 2HB PHE 70 HB1 PHE 70 102.137 -4.345 4.249 579 HD1 PHE 70 HD1 PHE 70 102.419 -5.263 7.879 580 HD2 PHE 70 HD2 PHE 70 103.672 -6.053 3.847 581 HE1 PHE 70 HE1 PHE 70 103.756 -7.195 8.673 582 HE2 PHE 70 HE2 PHE 70 105.008 -7.985 4.641 583 HZ PHE 70 HZ PHE 70 105.050 -8.556 7.054 584 H GLY 71 HN GLY 71 101.707 -1.935 3.820 585 1HA GLY 71 HA2 GLY 71 103.362 -0.053 2.844 586 2HA GLY 71 HA1 GLY 71 104.261 -1.506 2.400 587 HA PRO 72 HA PRO 72 101.291 -0.418 -1.044 588 1HB PRO 72 HB2 PRO 72 103.571 -1.392 -2.660 589 2HB PRO 72 HB1 PRO 72 102.644 0.110 -2.813 590 1HG PRO 72 HG2 PRO 72 105.169 0.053 -1.895 591 2HG PRO 72 HG1 PRO 72 103.976 1.241 -1.346 592 1HD PRO 72 HD2 PRO 72 104.990 -1.197 0.073 593 2HD PRO 72 HD1 PRO 72 104.461 0.362 0.748 594 H GLU 73 HN GLU 73 103.193 -3.232 -0.208 595 HA GLU 73 HA GLU 73 102.276 -5.127 -2.071 596 1HB GLU 73 HB2 GLU 73 102.754 -5.497 0.903 597 2HB GLU 73 HB1 GLU 73 102.616 -6.808 -0.268 598 1HG GLU 73 HG2 GLU 73 104.665 -4.583 -0.455 599 2HG GLU 73 HG1 GLU 73 104.991 -6.169 0.246 600 H LYS 74 HN LYS 74 100.770 -4.254 1.060 601 HA LYS 74 HA LYS 74 98.447 -5.878 0.717 602 1HB LYS 74 HB2 LYS 74 98.737 -3.273 2.246 603 2HB LYS 74 HB1 LYS 74 97.435 -4.445 2.451 604 1HG LYS 74 HG2 LYS 74 100.375 -5.059 2.870 605 2HG LYS 74 HG1 LYS 74 99.235 -4.695 4.166 606 1HD LYS 74 HD2 LYS 74 97.809 -6.616 3.120 607 2HD LYS 74 HD1 LYS 74 99.324 -7.096 2.356 608 1HE LYS 74 HE2 LYS 74 100.410 -7.156 4.587 609 2HE LYS 74 HE1 LYS 74 98.868 -6.737 5.333 610 1HZ LYS 74 HZ1 LYS 74 98.555 -8.919 3.555 611 2HZ LYS 74 HZ2 LYS 74 98.222 -8.837 5.219 612 3HZ LYS 74 HZ3 LYS 74 99.777 -9.261 4.682 613 H VAL 75 HN VAL 75 99.105 -2.490 -0.149 614 HA VAL 75 HA VAL 75 96.865 -2.653 -2.094 615 HB VAL 75 HB VAL 75 96.266 -0.252 -1.371 616 1HG1 VAL 75 HG11 VAL 75 94.783 -1.089 0.420 617 2HG1 VAL 75 HG12 VAL 75 95.746 -2.565 0.524 618 3HG1 VAL 75 HG13 VAL 75 94.828 -2.211 -0.940 619 1HG2 VAL 75 HG21 VAL 75 97.331 -1.040 1.313 620 2HG2 VAL 75 HG22 VAL 75 97.043 0.569 0.652 621 3HG2 VAL 75 HG23 VAL 75 98.457 -0.354 0.144 622 HA PRO 76 HA PRO 76 100.811 -0.959 -3.870 623 1HB PRO 76 HB2 PRO 76 99.576 -2.222 -6.258 624 2HB PRO 76 HB1 PRO 76 101.231 -2.364 -5.634 625 1HG PRO 76 HG2 PRO 76 99.513 -4.365 -5.393 626 2HG PRO 76 HG1 PRO 76 100.660 -3.982 -4.099 627 1HD PRO 76 HD2 PRO 76 97.729 -3.362 -4.260 628 2HD PRO 76 HD1 PRO 76 98.698 -3.885 -2.866 629 H VAL 77 HN VAL 77 101.067 0.661 -5.615 630 HA VAL 77 HA VAL 77 99.162 2.710 -5.625 631 HB VAL 77 HB VAL 77 101.180 1.966 -7.762 632 1HG1 VAL 77 HG11 VAL 77 99.850 3.409 -8.976 633 2HG1 VAL 77 HG12 VAL 77 100.835 4.596 -8.121 634 3HG1 VAL 77 HG13 VAL 77 99.217 4.205 -7.536 635 1HG2 VAL 77 HG21 VAL 77 102.123 2.509 -5.545 636 2HG2 VAL 77 HG22 VAL 77 101.209 4.017 -5.524 637 3HG2 VAL 77 HG23 VAL 77 102.492 3.782 -6.710 638 H THR 78 HN THR 78 98.870 -0.336 -7.052 639 HA THR 78 HA THR 78 97.405 0.228 -9.425 640 HB THR 78 HB THR 78 96.475 -2.050 -9.156 641 HG1 THR 78 HG1 THR 78 97.662 -2.937 -7.048 642 1HG2 THR 78 HG21 THR 78 98.590 -2.206 -10.096 643 2HG2 THR 78 HG22 THR 78 98.817 -3.164 -8.633 644 3HG2 THR 78 HG23 THR 78 99.380 -1.493 -8.689 645 H ALA 79 HN ALA 79 96.406 0.073 -6.035 646 HA ALA 79 HA ALA 79 93.591 0.132 -6.438 647 1HB ALA 79 HB1 ALA 79 94.920 -0.157 -4.238 648 2HB ALA 79 HB2 ALA 79 93.422 0.770 -4.163 649 3HB ALA 79 HB3 ALA 79 94.975 1.605 -4.195 650 H PHE 80 HN PHE 80 95.960 2.783 -6.207 651 HA PHE 80 HA PHE 80 94.041 4.905 -6.397 652 1HB PHE 80 HB2 PHE 80 96.982 4.767 -7.113 653 2HB PHE 80 HB1 PHE 80 96.040 6.259 -7.165 654 HD1 PHE 80 HD1 PHE 80 97.058 3.463 -4.908 655 HD2 PHE 80 HD2 PHE 80 95.630 7.504 -5.199 656 HE1 PHE 80 HE1 PHE 80 97.375 3.750 -2.466 657 HE2 PHE 80 HE2 PHE 80 95.946 7.790 -2.756 658 HZ PHE 80 HZ PHE 80 96.818 5.913 -1.390 659 H SER 81 HN SER 81 95.944 3.168 -8.857 660 HA SER 81 HA SER 81 95.053 4.703 -11.097 661 1HB SER 81 HB2 SER 81 96.961 3.144 -11.226 662 2HB SER 81 HB1 SER 81 95.873 1.783 -10.973 663 HG SER 81 HG SER 81 96.454 2.374 -13.225 664 H TYR 82 HN TYR 82 93.783 1.687 -9.664 665 HA TYR 82 HA TYR 82 91.612 1.385 -11.504 666 1HB TYR 82 HB2 TYR 82 92.202 0.372 -8.740 667 2HB TYR 82 HB1 TYR 82 90.589 0.142 -9.415 668 HD1 TYR 82 HD1 TYR 82 90.657 -0.646 -12.016 669 HD2 TYR 82 HD2 TYR 82 93.725 -1.343 -9.093 670 HE1 TYR 82 HE1 TYR 82 91.490 -2.564 -13.348 671 HE2 TYR 82 HE2 TYR 82 94.558 -3.262 -10.425 672 HH TYR 82 HH TYR 82 92.952 -4.226 -13.460 673 H TRP 83 HN TRP 83 91.836 3.032 -8.351 674 HA TRP 83 HA TRP 83 89.083 3.799 -8.208 675 1HB TRP 83 HB2 TRP 83 91.118 3.977 -6.472 676 2HB TRP 83 HB1 TRP 83 91.172 5.624 -7.102 677 HD1 TRP 83 HD1 TRP 83 89.191 7.235 -6.531 678 HE1 TRP 83 HE1 TRP 83 87.204 7.076 -4.896 679 HE3 TRP 83 HE3 TRP 83 89.395 2.265 -5.372 680 HZ2 TRP 83 HZ2 TRP 83 85.877 5.102 -3.307 681 HZ3 TRP 83 HZ3 TRP 83 87.759 1.274 -3.797 682 HH2 TRP 83 HH2 TRP 83 86.002 2.685 -2.764 683 H ASN 84 HN ASN 84 91.906 5.304 -9.725 684 HA ASN 84 HA ASN 84 90.778 7.826 -10.345 685 1HB ASN 84 HB2 ASN 84 92.827 6.115 -11.765 686 2HB ASN 84 HB1 ASN 84 92.366 7.707 -12.368 687 1HD2 ASN 84 HD21 ASN 84 91.992 7.877 -9.064 688 2HD2 ASN 84 HD22 ASN 84 93.520 8.482 -8.640 689 H LEU 85 HN LEU 85 90.641 4.755 -12.149 690 HA LEU 85 HA LEU 85 89.063 5.790 -14.320 691 1HB LEU 85 HB2 LEU 85 89.411 2.984 -13.230 692 2HB LEU 85 HB1 LEU 85 88.508 3.353 -14.699 693 HG LEU 85 HG LEU 85 91.391 4.170 -14.255 694 1HD1 LEU 85 HD11 LEU 85 91.349 1.763 -14.321 695 2HD1 LEU 85 HD12 LEU 85 91.850 2.315 -15.920 696 3HD1 LEU 85 HD13 LEU 85 90.195 1.763 -15.655 697 1HD2 LEU 85 HD21 LEU 85 89.367 4.477 -16.419 698 2HD2 LEU 85 HD22 LEU 85 91.014 4.104 -16.924 699 3HD2 LEU 85 HD23 LEU 85 90.692 5.546 -15.961 700 H ILE 86 HN ILE 86 88.220 4.226 -11.238 701 HA ILE 86 HA ILE 86 85.409 4.052 -11.691 702 HB ILE 86 HB ILE 86 87.018 4.372 -9.143 703 1HG1 ILE 86 HG12 ILE 86 87.005 2.261 -10.762 704 2HG1 ILE 86 HG11 ILE 86 86.964 2.055 -9.011 705 1HG2 ILE 86 HG21 ILE 86 84.832 3.478 -8.104 706 2HG2 ILE 86 HG22 ILE 86 84.053 4.011 -9.595 707 3HG2 ILE 86 HG23 ILE 86 84.867 5.182 -8.557 708 1HD1 ILE 86 HD11 ILE 86 84.423 2.290 -10.620 709 2HD1 ILE 86 HD12 ILE 86 84.637 1.631 -8.998 710 3HD1 ILE 86 HD13 ILE 86 85.229 0.737 -10.398 711 H LYS 87 HN LYS 87 87.415 6.657 -10.326 712 HA LYS 87 HA LYS 87 85.311 8.398 -9.560 713 1HB LYS 87 HB2 LYS 87 87.733 8.721 -9.001 714 2HB LYS 87 HB1 LYS 87 88.014 9.203 -10.674 715 1HG LYS 87 HG2 LYS 87 86.474 11.077 -10.440 716 2HG LYS 87 HG1 LYS 87 86.051 10.563 -8.807 717 1HD LYS 87 HD2 LYS 87 88.426 10.873 -8.124 718 2HD LYS 87 HD1 LYS 87 88.787 11.476 -9.742 719 1HE LYS 87 HE2 LYS 87 87.197 13.315 -9.443 720 2HE LYS 87 HE1 LYS 87 86.754 12.697 -7.851 721 1HZ LYS 87 HZ1 LYS 87 89.402 13.736 -8.696 722 2HZ LYS 87 HZ2 LYS 87 89.121 12.958 -7.213 723 3HZ LYS 87 HZ3 LYS 87 88.343 14.426 -7.565 724 H GLU 88 HN GLU 88 86.993 8.050 -12.684 725 HA GLU 88 HA GLU 88 85.530 10.198 -13.955 726 1HB GLU 88 HB2 GLU 88 87.066 7.848 -15.104 727 2HB GLU 88 HB1 GLU 88 86.403 9.164 -16.073 728 1HG GLU 88 HG2 GLU 88 87.762 10.792 -14.854 729 2HG GLU 88 HG1 GLU 88 88.379 9.519 -13.800 730 H LEU 89 HN LEU 89 84.871 6.841 -13.321 731 HA LEU 89 HA LEU 89 82.791 6.603 -15.361 732 1HB LEU 89 HB2 LEU 89 84.030 4.876 -13.324 733 2HB LEU 89 HB1 LEU 89 82.303 4.591 -13.544 734 HG LEU 89 HG LEU 89 83.773 3.221 -15.069 735 1HD1 LEU 89 HD11 LEU 89 82.450 4.652 -17.135 736 2HD1 LEU 89 HD12 LEU 89 81.447 4.796 -15.692 737 3HD1 LEU 89 HD13 LEU 89 81.891 3.202 -16.303 738 1HD2 LEU 89 HD21 LEU 89 85.310 4.195 -16.427 739 2HD2 LEU 89 HD22 LEU 89 85.132 5.608 -15.388 740 3HD2 LEU 89 HD23 LEU 89 84.206 5.491 -16.885 741 H ILE 90 HN ILE 90 82.831 6.906 -11.797 742 HA ILE 90 HA ILE 90 79.951 7.038 -11.589 743 HB ILE 90 HB ILE 90 80.347 7.668 -9.269 744 1HG1 ILE 90 HG12 ILE 90 83.152 8.217 -10.270 745 2HG1 ILE 90 HG11 ILE 90 82.047 9.345 -9.483 746 1HG2 ILE 90 HG21 ILE 90 81.394 5.700 -8.603 747 2HG2 ILE 90 HG22 ILE 90 82.635 5.817 -9.851 748 3HG2 ILE 90 HG23 ILE 90 81.000 5.312 -10.277 749 1HD1 ILE 90 HD11 ILE 90 83.364 8.778 -7.671 750 2HD1 ILE 90 HD12 ILE 90 83.695 7.158 -8.285 751 3HD1 ILE 90 HD13 ILE 90 82.135 7.519 -7.545 752 H ASP 91 HN ASP 91 82.531 9.491 -11.667 753 HA ASP 91 HA ASP 91 80.773 11.733 -11.258 754 1HB ASP 91 HB2 ASP 91 82.644 13.097 -11.805 755 2HB ASP 91 HB1 ASP 91 83.334 11.670 -11.031 756 H LYS 92 HN LYS 92 81.129 9.626 -13.874 757 HA LYS 92 HA LYS 92 80.793 11.384 -16.099 758 1HB LYS 92 HB2 LYS 92 81.369 8.960 -16.279 759 2HB LYS 92 HB1 LYS 92 79.720 8.564 -15.790 760 1HG LYS 92 HG2 LYS 92 78.835 9.772 -17.741 761 2HG LYS 92 HG1 LYS 92 80.474 10.209 -18.224 762 1HD LYS 92 HD2 LYS 92 81.043 7.812 -18.448 763 2HD LYS 92 HD1 LYS 92 79.392 7.385 -17.995 764 1HE LYS 92 HE2 LYS 92 78.534 8.630 -19.949 765 2HE LYS 92 HE1 LYS 92 80.186 9.043 -20.408 766 1HZ LYS 92 HZ1 LYS 92 80.408 7.088 -21.389 767 2HZ LYS 92 HZ2 LYS 92 78.773 6.752 -21.068 768 3HZ LYS 92 HZ3 LYS 92 79.975 6.262 -19.972 769 H LYS 93 HN LYS 93 78.371 9.652 -14.117 770 HA LYS 93 HA LYS 93 76.318 11.524 -15.225 771 1HB LYS 93 HB2 LYS 93 75.913 9.137 -15.769 772 2HB LYS 93 HB1 LYS 93 75.914 8.758 -14.046 773 1HG LYS 93 HG2 LYS 93 73.979 10.179 -13.677 774 2HG LYS 93 HG1 LYS 93 74.022 10.734 -15.351 775 1HD LYS 93 HD2 LYS 93 73.613 8.418 -16.122 776 2HD LYS 93 HD1 LYS 93 73.535 7.881 -14.443 777 1HE LYS 93 HE2 LYS 93 71.724 10.007 -15.619 778 2HE LYS 93 HE1 LYS 93 71.280 8.307 -15.475 779 1HZ LYS 93 HZ1 LYS 93 70.588 9.851 -13.604 780 2HZ LYS 93 HZ2 LYS 93 72.225 9.870 -13.150 781 3HZ LYS 93 HZ3 LYS 93 71.358 8.407 -13.160 782 H GLU 94 HN GLU 94 75.504 12.956 -13.774 783 HA GLU 94 HA GLU 94 76.329 12.904 -11.002 784 1HB GLU 94 HB2 GLU 94 74.210 14.560 -12.408 785 2HB GLU 94 HB1 GLU 94 74.806 14.857 -10.774 786 1HG GLU 94 HG2 GLU 94 76.582 14.787 -13.228 787 2HG GLU 94 HG1 GLU 94 75.923 16.269 -12.534 788 H VAL 95 HN VAL 95 75.364 11.812 -9.359 789 HA VAL 95 HA VAL 95 72.468 11.155 -9.595 790 HB VAL 95 HB VAL 95 73.681 9.150 -10.309 791 1HG1 VAL 95 HG11 VAL 95 75.602 10.036 -8.482 792 2HG1 VAL 95 HG12 VAL 95 75.638 8.518 -9.378 793 3HG1 VAL 95 HG13 VAL 95 74.954 8.566 -7.752 794 1HG2 VAL 95 HG21 VAL 95 72.574 7.635 -8.901 795 2HG2 VAL 95 HG22 VAL 95 71.670 9.125 -8.627 796 3HG2 VAL 95 HG23 VAL 95 72.883 8.601 -7.458 797 H ASN 96 HN ASN 96 71.450 10.781 -7.507 798 HA ASN 96 HA ASN 96 73.067 11.830 -5.218 799 1HB ASN 96 HB2 ASN 96 71.499 13.540 -5.707 800 2HB ASN 96 HB1 ASN 96 70.208 12.378 -6.016 801 1HD2 ASN 96 HD21 ASN 96 72.375 13.439 -3.332 802 2HD2 ASN 96 HD22 ASN 96 71.223 13.192 -2.109 803 HA PRO 97 HA PRO 97 71.859 7.458 -4.238 804 1HB PRO 97 HB2 PRO 97 74.025 8.050 -2.270 805 2HB PRO 97 HB1 PRO 97 73.783 6.616 -3.285 806 1HG PRO 97 HG2 PRO 97 75.651 8.408 -3.869 807 2HG PRO 97 HG1 PRO 97 74.715 7.604 -5.140 808 1HD PRO 97 HD2 PRO 97 74.474 10.401 -4.116 809 2HD PRO 97 HD1 PRO 97 74.204 9.774 -5.756 810 H GLN 98 HN GLN 98 72.580 10.113 -1.954 811 HA GLN 98 HA GLN 98 70.095 9.420 -0.486 812 1HB GLN 98 HB2 GLN 98 72.858 9.594 0.745 813 2HB GLN 98 HB1 GLN 98 71.374 9.695 1.692 814 1HG GLN 98 HG2 GLN 98 70.677 7.486 0.876 815 2HG GLN 98 HG1 GLN 98 72.131 7.383 -0.117 816 1HE2 GLN 98 HE21 GLN 98 72.283 5.325 1.419 817 2HE2 GLN 98 HE22 GLN 98 73.154 5.556 2.857 818 H VAL 99 HN VAL 99 72.596 11.499 0.810 819 HA VAL 99 HA VAL 99 70.902 13.858 0.084 820 HB VAL 99 HB VAL 99 72.659 13.449 2.524 821 1HG1 VAL 99 HG11 VAL 99 72.642 15.697 2.662 822 2HG1 VAL 99 HG12 VAL 99 70.890 15.620 2.850 823 3HG1 VAL 99 HG13 VAL 99 71.596 15.819 1.246 824 1HG2 VAL 99 HG21 VAL 99 69.646 13.732 2.352 825 2HG2 VAL 99 HG22 VAL 99 70.604 13.294 3.767 826 3HG2 VAL 99 HG23 VAL 99 70.465 12.171 2.416 827 H MET 100 HN MET 100 72.042 14.464 -1.787 828 HA MET 100 HA MET 100 73.826 15.330 -3.053 829 1HB MET 100 HB2 MET 100 73.470 17.169 -1.419 830 2HB MET 100 HB1 MET 100 74.629 16.404 -0.331 831 1HG MET 100 HG2 MET 100 76.403 16.640 -1.991 832 2HG MET 100 HG1 MET 100 75.259 17.304 -3.158 833 1HE MET 100 HE1 MET 100 73.903 19.294 -2.874 834 2HE MET 100 HE2 MET 100 75.415 19.838 -3.595 835 3HE MET 100 HE3 MET 100 74.654 20.801 -2.332 Start of MODEL 9 1 1H MET 1 HT1 MET 1 71.812 -5.144 0.438 2 2H MET 1 HT2 MET 1 71.404 -4.764 2.043 3 3H MET 1 HT3 MET 1 70.203 -5.284 0.958 4 HA MET 1 HA MET 1 72.513 -7.002 1.618 5 1HB MET 1 HB2 MET 1 69.880 -6.739 3.100 6 2HB MET 1 HB1 MET 1 71.002 -8.085 3.305 7 1HG MET 1 HG2 MET 1 72.781 -6.455 3.944 8 2HG MET 1 HG1 MET 1 71.592 -5.161 3.847 9 1HE MET 1 HE1 MET 1 69.238 -5.536 6.636 10 2HE MET 1 HE2 MET 1 68.861 -6.467 5.190 11 3HE MET 1 HE3 MET 1 69.639 -4.895 5.040 12 H GLY 2 HN GLY 2 69.272 -8.099 1.958 13 1HA GLY 2 HA2 GLY 2 67.873 -9.351 0.529 14 2HA GLY 2 HA1 GLY 2 68.845 -8.796 -0.835 15 H GLN 3 HN GLN 3 70.602 -10.185 1.773 16 HA GLN 3 HA GLN 3 70.745 -12.803 0.327 17 1HB GLN 3 HB2 GLN 3 73.055 -11.196 1.455 18 2HB GLN 3 HB1 GLN 3 73.180 -12.835 0.815 19 1HG GLN 3 HG2 GLN 3 72.379 -12.056 -1.380 20 2HG GLN 3 HG1 GLN 3 72.221 -10.417 -0.745 21 1HE2 GLN 3 HE21 GLN 3 73.880 -10.320 -2.780 22 2HE2 GLN 3 HE22 GLN 3 75.518 -10.369 -2.334 23 H GLU 4 HN GLU 4 71.556 -14.574 1.741 24 HA GLU 4 HA GLU 4 70.197 -14.640 4.250 25 1HB GLU 4 HB2 GLU 4 72.431 -16.351 3.130 26 2HB GLU 4 HB1 GLU 4 71.616 -16.704 4.654 27 1HG GLU 4 HG2 GLU 4 69.462 -16.854 3.501 28 2HG GLU 4 HG1 GLU 4 70.229 -16.421 1.972 29 H LEU 5 HN LEU 5 70.818 -13.942 6.248 30 HA LEU 5 HA LEU 5 73.398 -12.563 6.494 31 1HB LEU 5 HB2 LEU 5 71.095 -12.946 8.434 32 2HB LEU 5 HB1 LEU 5 72.532 -12.000 8.798 33 HG LEU 5 HG LEU 5 70.725 -11.485 6.415 34 1HD1 LEU 5 HD11 LEU 5 70.713 -10.431 9.230 35 2HD1 LEU 5 HD12 LEU 5 69.350 -10.897 8.212 36 3HD1 LEU 5 HD13 LEU 5 70.205 -9.384 7.905 37 1HD2 LEU 5 HD21 LEU 5 73.302 -10.416 7.360 38 2HD2 LEU 5 HD22 LEU 5 72.097 -9.170 7.075 39 3HD2 LEU 5 HD23 LEU 5 72.539 -10.280 5.779 40 H SER 6 HN SER 6 74.895 -14.312 6.425 41 HA SER 6 HA SER 6 74.653 -16.502 8.361 42 1HB SER 6 HB2 SER 6 76.936 -17.118 7.445 43 2HB SER 6 HB1 SER 6 75.651 -17.055 6.244 44 HG SER 6 HG SER 6 77.636 -15.110 6.807 45 H GLN 7 HN GLN 7 76.799 -16.949 9.673 46 HA GLN 7 HA GLN 7 77.056 -14.989 11.669 47 1HB GLN 7 HB2 GLN 7 77.831 -17.349 11.907 48 2HB GLN 7 HB1 GLN 7 79.168 -17.000 10.811 49 1HG GLN 7 HG2 GLN 7 79.931 -16.842 13.137 50 2HG GLN 7 HG1 GLN 7 79.975 -15.250 12.387 51 1HE2 GLN 7 HE21 GLN 7 79.655 -14.100 14.410 52 2HE2 GLN 7 HE22 GLN 7 78.176 -14.147 15.239 53 H HIS 8 HN HIS 8 79.015 -15.475 8.739 54 HA HIS 8 HA HIS 8 80.897 -13.372 9.341 55 1HB HIS 8 HB2 HIS 8 80.242 -14.090 6.510 56 2HB HIS 8 HB1 HIS 8 81.815 -13.834 7.267 57 HD2 HIS 8 HD2 HIS 8 79.184 -16.720 6.821 58 HE1 HIS 8 HE1 HIS 8 82.627 -18.346 8.659 59 HE2 HIS 8 HE2 HIS 8 80.384 -18.902 7.615 60 H GLU 9 HN GLU 9 77.918 -13.494 7.378 61 HA GLU 9 HA GLU 9 78.058 -10.788 6.481 62 1HB GLU 9 HB2 GLU 9 75.712 -12.650 6.858 63 2HB GLU 9 HB1 GLU 9 75.579 -11.067 6.090 64 1HG GLU 9 HG2 GLU 9 77.443 -13.273 5.165 65 2HG GLU 9 HG1 GLU 9 75.870 -12.931 4.445 66 H ARG 10 HN ARG 10 76.606 -12.272 9.335 67 HA ARG 10 HA ARG 10 75.319 -9.901 10.306 68 1HB ARG 10 HB2 ARG 10 76.275 -12.410 11.698 69 2HB ARG 10 HB1 ARG 10 75.408 -11.122 12.535 70 1HG ARG 10 HG2 ARG 10 73.505 -11.373 11.018 71 2HG ARG 10 HG1 ARG 10 74.376 -12.602 10.099 72 1HD ARG 10 HD2 ARG 10 74.428 -14.074 12.047 73 2HD ARG 10 HD1 ARG 10 73.662 -12.834 13.038 74 HE ARG 10 HE ARG 10 72.004 -13.392 10.769 75 1HH1 ARG 10 HH21 ARG 10 73.159 -14.713 13.735 76 2HH1 ARG 10 HH22 ARG 10 71.758 -15.696 13.998 77 1HH2 ARG 10 HH11 ARG 10 70.167 -14.669 11.093 78 2HH2 ARG 10 HH12 ARG 10 70.064 -15.672 12.501 79 H TYR 11 HN TYR 11 78.566 -11.239 10.730 80 HA TYR 11 HA TYR 11 79.426 -9.497 12.813 81 1HB TYR 11 HB2 TYR 11 80.771 -11.420 12.200 82 2HB TYR 11 HB1 TYR 11 80.985 -10.802 10.562 83 HD1 TYR 11 HD1 TYR 11 82.776 -9.364 10.050 84 HD2 TYR 11 HD2 TYR 11 81.640 -9.964 14.148 85 HE1 TYR 11 HE1 TYR 11 84.766 -8.081 10.788 86 HE2 TYR 11 HE2 TYR 11 83.630 -8.680 14.888 87 HH TYR 11 HH TYR 11 85.618 -7.822 14.208 88 H VAL 12 HN VAL 12 79.760 -9.160 9.270 89 HA VAL 12 HA VAL 12 80.938 -6.527 9.436 90 HB VAL 12 HB VAL 12 80.353 -6.403 6.997 91 1HG1 VAL 12 HG11 VAL 12 81.566 -9.066 7.776 92 2HG1 VAL 12 HG12 VAL 12 82.428 -7.534 7.919 93 3HG1 VAL 12 HG13 VAL 12 81.913 -8.112 6.335 94 1HG2 VAL 12 HG21 VAL 12 79.382 -8.455 5.979 95 2HG2 VAL 12 HG22 VAL 12 78.254 -7.676 7.089 96 3HG2 VAL 12 HG23 VAL 12 79.144 -9.109 7.597 97 H GLU 13 HN GLU 13 77.636 -7.730 9.190 98 HA GLU 13 HA GLU 13 76.398 -5.208 8.604 99 1HB GLU 13 HB2 GLU 13 75.246 -7.395 8.348 100 2HB GLU 13 HB1 GLU 13 75.244 -7.578 10.102 101 1HG GLU 13 HG2 GLU 13 73.908 -5.526 10.333 102 2HG GLU 13 HG1 GLU 13 73.937 -5.303 8.584 103 H GLN 14 HN GLN 14 77.361 -6.787 11.622 104 HA GLN 14 HA GLN 14 76.040 -4.907 13.366 105 1HB GLN 14 HB2 GLN 14 76.901 -7.166 14.070 106 2HB GLN 14 HB1 GLN 14 78.540 -6.523 13.942 107 1HG GLN 14 HG2 GLN 14 77.884 -6.315 16.249 108 2HG GLN 14 HG1 GLN 14 77.837 -4.696 15.559 109 1HE2 GLN 14 HE21 GLN 14 76.117 -3.765 16.752 110 2HE2 GLN 14 HE22 GLN 14 74.542 -4.396 16.777 111 H LEU 15 HN LEU 15 79.269 -5.065 11.900 112 HA LEU 15 HA LEU 15 80.387 -2.844 13.288 113 1HB LEU 15 HB2 LEU 15 81.810 -4.329 11.973 114 2HB LEU 15 HB1 LEU 15 80.943 -3.907 10.497 115 HG LEU 15 HG LEU 15 81.714 -1.579 10.681 116 1HD1 LEU 15 HD11 LEU 15 83.611 -1.316 12.508 117 2HD1 LEU 15 HD12 LEU 15 82.709 -2.595 13.320 118 3HD1 LEU 15 HD13 LEU 15 81.916 -1.061 12.937 119 1HD2 LEU 15 HD21 LEU 15 83.231 -3.727 9.951 120 2HD2 LEU 15 HD22 LEU 15 84.271 -2.960 11.152 121 3HD2 LEU 15 HD23 LEU 15 83.722 -2.045 9.748 122 H LYS 16 HN LYS 16 78.491 -3.057 10.299 123 HA LYS 16 HA LYS 16 78.666 -0.315 9.552 124 1HB LYS 16 HB2 LYS 16 77.777 -2.130 8.091 125 2HB LYS 16 HB1 LYS 16 76.336 -2.193 9.106 126 1HG LYS 16 HG2 LYS 16 75.857 0.164 8.593 127 2HG LYS 16 HG1 LYS 16 77.312 0.253 7.600 128 1HD LYS 16 HD2 LYS 16 76.402 -1.512 6.124 129 2HD LYS 16 HD1 LYS 16 74.939 -1.570 7.109 130 1HE LYS 16 HE2 LYS 16 74.497 0.807 6.593 131 2HE LYS 16 HE1 LYS 16 75.952 0.860 5.600 132 1HZ LYS 16 HZ1 LYS 16 74.501 -1.334 4.747 133 2HZ LYS 16 HZ2 LYS 16 74.730 0.131 3.921 134 3HZ LYS 16 HZ3 LYS 16 73.372 -0.081 4.921 135 H GLN 17 HN GLN 17 76.408 -2.020 11.698 136 HA GLN 17 HA GLN 17 74.601 0.108 12.171 137 1HB GLN 17 HB2 GLN 17 75.586 -2.096 14.005 138 2HB GLN 17 HB1 GLN 17 74.264 -1.003 14.425 139 1HG GLN 17 HG2 GLN 17 72.975 -1.741 12.507 140 2HG GLN 17 HG1 GLN 17 74.317 -2.731 11.931 141 1HE2 GLN 17 HE21 GLN 17 72.624 -4.538 12.138 142 2HE2 GLN 17 HE22 GLN 17 72.435 -5.274 13.656 143 H ALA 18 HN ALA 18 77.676 -0.688 13.800 144 HA ALA 18 HA ALA 18 77.608 1.464 15.686 145 1HB ALA 18 HB1 ALA 18 80.158 1.171 15.623 146 2HB ALA 18 HB2 ALA 18 79.871 -0.101 14.435 147 3HB ALA 18 HB3 ALA 18 79.215 -0.252 16.066 148 H LEU 19 HN LEU 19 78.738 1.276 12.337 149 HA LEU 19 HA LEU 19 79.988 3.844 12.240 150 1HB LEU 19 HB2 LEU 19 78.678 2.176 10.077 151 2HB LEU 19 HB1 LEU 19 79.567 3.650 9.752 152 HG LEU 19 HG LEU 19 80.726 1.275 11.225 153 1HD1 LEU 19 HD11 LEU 19 82.048 1.546 8.801 154 2HD1 LEU 19 HD12 LEU 19 80.359 1.810 8.370 155 3HD1 LEU 19 HD13 LEU 19 80.844 0.320 9.176 156 1HD2 LEU 19 HD21 LEU 19 82.142 2.973 11.836 157 2HD2 LEU 19 HD22 LEU 19 81.680 3.997 10.482 158 3HD2 LEU 19 HD23 LEU 19 82.820 2.681 10.237 159 H LYS 20 HN LYS 20 76.650 2.781 11.725 160 HA LYS 20 HA LYS 20 75.584 5.239 10.759 161 1HB LYS 20 HB2 LYS 20 74.336 3.067 12.463 162 2HB LYS 20 HB1 LYS 20 73.420 4.414 11.790 163 1HG LYS 20 HG2 LYS 20 74.187 3.752 9.513 164 2HG LYS 20 HG1 LYS 20 75.007 2.361 10.222 165 1HD LYS 20 HD2 LYS 20 72.861 1.523 11.095 166 2HD LYS 20 HD1 LYS 20 72.034 2.921 10.404 167 1HE LYS 20 HE2 LYS 20 72.699 2.245 8.151 168 2HE LYS 20 HE1 LYS 20 73.607 0.882 8.805 169 1HZ LYS 20 HZ1 LYS 20 70.742 1.208 9.420 170 2HZ LYS 20 HZ2 LYS 20 71.687 -0.204 9.440 171 3HZ LYS 20 HZ3 LYS 20 71.228 0.494 7.960 172 H THR 21 HN THR 21 76.113 4.076 14.080 173 HA THR 21 HA THR 21 74.925 6.290 15.435 174 HB THR 21 HB THR 21 77.363 4.756 16.370 175 HG1 THR 21 HG1 THR 21 75.094 3.750 15.629 176 1HG2 THR 21 HG21 THR 21 75.088 6.176 17.774 177 2HG2 THR 21 HG22 THR 21 76.793 6.626 17.791 178 3HG2 THR 21 HG23 THR 21 76.262 5.150 18.596 179 H ARG 22 HN ARG 22 78.187 5.809 14.113 180 HA ARG 22 HA ARG 22 79.259 8.276 15.153 181 1HB ARG 22 HB2 ARG 22 80.101 6.522 12.829 182 2HB ARG 22 HB1 ARG 22 81.024 7.918 13.385 183 1HG ARG 22 HG2 ARG 22 81.260 6.918 15.605 184 2HG ARG 22 HG1 ARG 22 80.268 5.540 15.110 185 1HD ARG 22 HD2 ARG 22 81.932 4.952 13.394 186 2HD ARG 22 HD1 ARG 22 82.923 6.330 13.870 187 HE ARG 22 HE ARG 22 82.494 4.794 16.200 188 1HH1 ARG 22 HH21 ARG 22 83.919 4.512 13.072 189 2HH1 ARG 22 HH22 ARG 22 85.129 3.381 13.580 190 1HH2 ARG 22 HH11 ARG 22 84.066 3.320 16.880 191 2HH2 ARG 22 HH12 ARG 22 85.212 2.707 15.735 192 H GLY 23 HN GLY 23 77.111 7.540 12.577 193 1HA GLY 23 HA2 GLY 23 75.876 9.397 11.532 194 2HA GLY 23 HA1 GLY 23 77.346 10.359 11.608 195 H VAL 24 HN VAL 24 76.620 7.077 10.389 196 HA VAL 24 HA VAL 24 77.878 7.900 7.796 197 HB VAL 24 HB VAL 24 78.069 5.312 9.326 198 1HG1 VAL 24 HG11 VAL 24 77.755 4.432 7.209 199 2HG1 VAL 24 HG12 VAL 24 79.491 4.742 7.155 200 3HG1 VAL 24 HG13 VAL 24 78.369 5.878 6.406 201 1HG2 VAL 24 HG21 VAL 24 79.742 7.031 9.868 202 2HG2 VAL 24 HG22 VAL 24 80.112 7.230 8.156 203 3HG2 VAL 24 HG23 VAL 24 80.509 5.718 8.974 204 H LYS 25 HN LYS 25 76.643 7.538 6.000 205 HA LYS 25 HA LYS 25 74.301 5.704 6.251 206 1HB LYS 25 HB2 LYS 25 74.297 8.507 5.098 207 2HB LYS 25 HB1 LYS 25 72.967 7.359 4.934 208 1HG LYS 25 HG2 LYS 25 72.763 7.237 7.391 209 2HG LYS 25 HG1 LYS 25 74.091 8.386 7.557 210 1HD LYS 25 HD2 LYS 25 72.786 10.075 6.310 211 2HD LYS 25 HD1 LYS 25 71.453 8.929 6.165 212 1HE LYS 25 HE2 LYS 25 71.241 8.834 8.610 213 2HE LYS 25 HE1 LYS 25 72.603 9.942 8.782 214 1HZ LYS 25 HZ1 LYS 25 69.882 10.533 8.281 215 2HZ LYS 25 HZ2 LYS 25 70.844 11.138 7.017 216 3HZ LYS 25 HZ3 LYS 25 71.160 11.595 8.623 217 H VAL 26 HN VAL 26 75.256 4.123 4.954 218 HA VAL 26 HA VAL 26 75.676 4.908 2.100 219 HB VAL 26 HB VAL 26 77.564 3.293 2.003 220 1HG1 VAL 26 HG11 VAL 26 78.569 4.934 4.180 221 2HG1 VAL 26 HG12 VAL 26 77.546 5.879 3.100 222 3HG1 VAL 26 HG13 VAL 26 78.945 5.016 2.459 223 1HG2 VAL 26 HG21 VAL 26 78.525 2.679 4.319 224 2HG2 VAL 26 HG22 VAL 26 77.103 1.786 3.779 225 3HG2 VAL 26 HG23 VAL 26 76.934 3.087 4.956 226 H LYS 27 HN LYS 27 75.496 3.000 0.628 227 HA LYS 27 HA LYS 27 73.139 1.452 1.313 228 1HB LYS 27 HB2 LYS 27 75.044 1.313 -1.040 229 2HB LYS 27 HB1 LYS 27 73.570 0.354 -0.913 230 1HG LYS 27 HG2 LYS 27 72.226 2.403 -0.760 231 2HG LYS 27 HG1 LYS 27 73.690 3.385 -0.835 232 1HD LYS 27 HD2 LYS 27 74.194 2.456 -3.070 233 2HD LYS 27 HD1 LYS 27 72.720 1.489 -2.997 234 1HE LYS 27 HE2 LYS 27 71.375 3.552 -2.816 235 2HE LYS 27 HE1 LYS 27 72.848 4.519 -2.890 236 1HZ LYS 27 HZ1 LYS 27 71.543 4.122 -5.039 237 2HZ LYS 27 HZ2 LYS 27 72.218 2.563 -5.006 238 3HZ LYS 27 HZ3 LYS 27 73.227 3.928 -5.080 239 H TYR 28 HN TYR 28 73.021 -0.810 1.677 240 HA TYR 28 HA TYR 28 75.182 -1.956 3.166 241 1HB TYR 28 HB2 TYR 28 72.755 -3.245 1.884 242 2HB TYR 28 HB1 TYR 28 73.847 -4.076 2.991 243 HD1 TYR 28 HD1 TYR 28 71.229 -1.523 2.668 244 HD2 TYR 28 HD2 TYR 28 73.986 -3.420 5.363 245 HE1 TYR 28 HE1 TYR 28 70.003 -0.565 4.599 246 HE2 TYR 28 HE2 TYR 28 72.760 -2.462 7.292 247 HH TYR 28 HH TYR 28 69.749 -1.319 7.171 248 H ALA 29 HN ALA 29 74.111 -2.361 -0.197 249 HA ALA 29 HA ALA 29 75.812 -4.492 -0.940 250 1HB ALA 29 HB1 ALA 29 73.989 -3.036 -2.275 251 2HB ALA 29 HB2 ALA 29 75.212 -3.997 -3.106 252 3HB ALA 29 HB3 ALA 29 75.452 -2.264 -2.887 253 H ASP 30 HN ASP 30 76.504 -1.067 -0.490 254 HA ASP 30 HA ASP 30 79.038 -0.962 -1.778 255 1HB ASP 30 HB2 ASP 30 77.712 0.993 -0.830 256 2HB ASP 30 HB1 ASP 30 78.305 0.516 0.762 257 H LEU 31 HN LEU 31 78.143 -1.889 1.548 258 HA LEU 31 HA LEU 31 80.807 -2.286 2.499 259 1HB LEU 31 HB2 LEU 31 78.098 -3.318 3.292 260 2HB LEU 31 HB1 LEU 31 79.527 -4.030 4.031 261 HG LEU 31 HG LEU 31 78.557 -2.081 5.317 262 1HD1 LEU 31 HD11 LEU 31 81.218 -2.737 4.804 263 2HD1 LEU 31 HD12 LEU 31 80.648 -1.677 6.087 264 3HD1 LEU 31 HD13 LEU 31 81.162 -0.998 4.544 265 1HD2 LEU 31 HD21 LEU 31 79.723 -0.334 3.153 266 2HD2 LEU 31 HD22 LEU 31 78.595 0.100 4.433 267 3HD2 LEU 31 HD23 LEU 31 78.043 -0.865 3.069 268 H LEU 32 HN LEU 32 78.516 -4.499 0.910 269 HA LEU 32 HA LEU 32 80.219 -6.811 1.028 270 1HB LEU 32 HB2 LEU 32 78.036 -6.045 -0.938 271 2HB LEU 32 HB1 LEU 32 78.789 -7.633 -0.873 272 HG LEU 32 HG LEU 32 77.368 -6.309 1.457 273 1HD1 LEU 32 HD11 LEU 32 75.506 -7.731 1.009 274 2HD1 LEU 32 HD12 LEU 32 76.414 -8.665 -0.180 275 3HD1 LEU 32 HD13 LEU 32 75.930 -7.008 -0.543 276 1HD2 LEU 32 HD21 LEU 32 78.925 -8.822 1.084 277 2HD2 LEU 32 HD22 LEU 32 77.445 -8.948 2.029 278 3HD2 LEU 32 HD23 LEU 32 78.715 -7.830 2.523 279 H LYS 33 HN LYS 33 79.849 -4.228 -1.385 280 HA LYS 33 HA LYS 33 81.670 -5.352 -3.296 281 1HB LYS 33 HB2 LYS 33 80.784 -2.505 -2.782 282 2HB LYS 33 HB1 LYS 33 81.828 -2.964 -4.129 283 1HG LYS 33 HG2 LYS 33 80.093 -4.547 -4.921 284 2HG LYS 33 HG1 LYS 33 79.046 -4.048 -3.591 285 1HD LYS 33 HD2 LYS 33 79.010 -1.750 -4.431 286 2HD LYS 33 HD1 LYS 33 80.125 -2.191 -5.729 287 1HE LYS 33 HE2 LYS 33 78.474 -3.768 -6.638 288 2HE LYS 33 HE1 LYS 33 77.360 -3.371 -5.330 289 1HZ LYS 33 HZ1 LYS 33 76.605 -1.837 -6.749 290 2HZ LYS 33 HZ2 LYS 33 77.993 -1.896 -7.727 291 3HZ LYS 33 HZ3 LYS 33 77.981 -0.946 -6.318 292 H PHE 34 HN PHE 34 82.111 -3.302 -0.456 293 HA PHE 34 HA PHE 34 84.806 -2.521 -0.924 294 1HB PHE 34 HB2 PHE 34 83.571 -1.486 0.870 295 2HB PHE 34 HB1 PHE 34 83.296 -3.042 1.650 296 HD1 PHE 34 HD1 PHE 34 84.645 -3.507 3.492 297 HD2 PHE 34 HD2 PHE 34 86.213 -1.089 0.309 298 HE1 PHE 34 HE1 PHE 34 86.775 -3.260 4.730 299 HE2 PHE 34 HE2 PHE 34 88.346 -0.838 1.549 300 HZ PHE 34 HZ PHE 34 88.628 -1.926 3.760 301 H PHE 35 HN PHE 35 83.522 -5.351 0.854 302 HA PHE 35 HA PHE 35 86.071 -6.482 1.471 303 1HB PHE 35 HB2 PHE 35 83.359 -7.774 1.074 304 2HB PHE 35 HB1 PHE 35 84.771 -8.639 1.678 305 HD1 PHE 35 HD1 PHE 35 86.032 -7.482 3.692 306 HD2 PHE 35 HD2 PHE 35 81.950 -6.707 2.605 307 HE1 PHE 35 HE1 PHE 35 85.587 -6.620 5.974 308 HE2 PHE 35 HE2 PHE 35 81.505 -5.844 4.885 309 HZ PHE 35 HZ PHE 35 83.324 -5.801 6.572 310 H ASP 36 HN ASP 36 83.867 -7.040 -1.282 311 HA ASP 36 HA ASP 36 85.516 -8.999 -2.562 312 1HB ASP 36 HB2 ASP 36 83.322 -7.148 -3.475 313 2HB ASP 36 HB1 ASP 36 84.246 -8.055 -4.671 314 H PHE 37 HN PHE 37 85.439 -5.469 -2.745 315 HA PHE 37 HA PHE 37 87.270 -5.179 -4.910 316 1HB PHE 37 HB2 PHE 37 85.896 -3.320 -4.004 317 2HB PHE 37 HB1 PHE 37 86.876 -3.335 -2.538 318 HD1 PHE 37 HD1 PHE 37 88.832 -2.043 -2.429 319 HD2 PHE 37 HD2 PHE 37 87.181 -3.061 -6.262 320 HE1 PHE 37 HE1 PHE 37 90.514 -0.592 -3.536 321 HE2 PHE 37 HE2 PHE 37 88.858 -1.608 -7.371 322 HZ PHE 37 HZ PHE 37 90.522 -0.374 -6.009 323 H VAL 38 HN VAL 38 87.813 -5.313 -1.384 324 HA VAL 38 HA VAL 38 90.641 -4.957 -1.487 325 HB VAL 38 HB VAL 38 88.947 -6.488 0.510 326 1HG1 VAL 38 HG11 VAL 38 91.206 -5.479 1.785 327 2HG1 VAL 38 HG12 VAL 38 91.831 -6.094 0.256 328 3HG1 VAL 38 HG13 VAL 38 90.939 -7.164 1.337 329 1HG2 VAL 38 HG21 VAL 38 90.104 -3.887 1.242 330 2HG2 VAL 38 HG22 VAL 38 88.460 -4.486 1.463 331 3HG2 VAL 38 HG23 VAL 38 88.944 -3.789 -0.083 332 H LYS 39 HN LYS 39 88.697 -7.958 -1.406 333 HA LYS 39 HA LYS 39 90.955 -9.700 -1.613 334 1HB LYS 39 HB2 LYS 39 88.036 -10.099 -2.273 335 2HB LYS 39 HB1 LYS 39 89.227 -11.396 -2.374 336 1HG LYS 39 HG2 LYS 39 89.802 -11.030 0.012 337 2HG LYS 39 HG1 LYS 39 88.567 -9.775 0.103 338 1HD LYS 39 HD2 LYS 39 86.837 -11.427 -0.512 339 2HD LYS 39 HD1 LYS 39 88.072 -12.685 -0.590 340 1HE LYS 39 HE2 LYS 39 87.413 -11.052 1.880 341 2HE LYS 39 HE1 LYS 39 86.869 -12.703 1.584 342 1HZ LYS 39 HZ1 LYS 39 89.664 -12.488 1.183 343 2HZ LYS 39 HZ2 LYS 39 88.811 -13.484 2.263 344 3HZ LYS 39 HZ3 LYS 39 89.255 -11.910 2.724 345 H ASP 40 HN ASP 40 88.979 -8.044 -3.973 346 HA ASP 40 HA ASP 40 89.923 -9.478 -6.282 347 1HB ASP 40 HB2 ASP 40 88.624 -6.784 -5.890 348 2HB ASP 40 HB1 ASP 40 89.141 -7.318 -7.474 349 H THR 41 HN THR 41 91.313 -7.021 -4.290 350 HA THR 41 HA THR 41 92.938 -5.656 -6.107 351 HB THR 41 HB THR 41 93.821 -6.563 -3.345 352 HG1 THR 41 HG1 THR 41 91.823 -5.615 -3.152 353 1HG2 THR 41 HG21 THR 41 94.545 -3.888 -3.947 354 2HG2 THR 41 HG22 THR 41 94.974 -4.861 -5.354 355 3HG2 THR 41 HG23 THR 41 95.613 -5.280 -3.765 356 H CYS 42 HN CYS 42 93.962 -8.501 -4.238 357 HA CYS 42 HA CYS 42 96.037 -8.999 -6.316 358 1HB CYS 42 HB2 CYS 42 96.068 -9.079 -3.423 359 2HB CYS 42 HB1 CYS 42 96.573 -10.643 -4.109 360 HG CYS 42 HG CYS 42 97.947 -7.964 -4.887 361 HA PRO 43 HA PRO 43 94.252 -13.450 -5.021 362 1HB PRO 43 HB2 PRO 43 91.518 -12.365 -4.464 363 2HB PRO 43 HB1 PRO 43 92.342 -13.756 -3.742 364 1HG PRO 43 HG2 PRO 43 92.139 -11.419 -2.467 365 2HG PRO 43 HG1 PRO 43 93.521 -12.483 -2.275 366 1HD PRO 43 HD2 PRO 43 93.375 -9.896 -3.601 367 2HD PRO 43 HD1 PRO 43 94.734 -10.793 -2.988 368 H TRP 44 HN TRP 44 92.113 -10.962 -6.445 369 HA TRP 44 HA TRP 44 92.097 -12.542 -8.962 370 1HB TRP 44 HB2 TRP 44 89.563 -11.422 -7.742 371 2HB TRP 44 HB1 TRP 44 89.707 -12.423 -9.192 372 HD1 TRP 44 HD1 TRP 44 91.209 -14.845 -8.537 373 HE1 TRP 44 HE1 TRP 44 90.584 -16.482 -6.646 374 HE3 TRP 44 HE3 TRP 44 88.344 -11.778 -5.628 375 HZ2 TRP 44 HZ2 TRP 44 89.067 -16.489 -4.219 376 HZ3 TRP 44 HZ3 TRP 44 87.322 -12.625 -3.535 377 HH2 TRP 44 HH2 TRP 44 87.680 -14.973 -2.827 378 H PHE 45 HN PHE 45 90.190 -10.851 -10.254 379 HA PHE 45 HA PHE 45 90.838 -8.061 -9.906 380 1HB PHE 45 HB2 PHE 45 92.923 -9.369 -11.028 381 2HB PHE 45 HB1 PHE 45 91.994 -9.011 -12.474 382 HD1 PHE 45 HD1 PHE 45 93.750 -7.557 -9.571 383 HD2 PHE 45 HD2 PHE 45 91.659 -6.722 -13.229 384 HE1 PHE 45 HE1 PHE 45 94.547 -5.210 -9.491 385 HE2 PHE 45 HE2 PHE 45 92.456 -4.375 -13.150 386 HZ PHE 45 HZ PHE 45 93.900 -3.619 -11.280 387 HA PRO 46 HA PRO 46 87.335 -9.520 -12.827 388 1HB PRO 46 HB2 PRO 46 85.253 -8.944 -11.110 389 2HB PRO 46 HB1 PRO 46 85.987 -10.549 -11.281 390 1HG PRO 46 HG2 PRO 46 86.405 -8.491 -9.180 391 2HG PRO 46 HG1 PRO 46 86.358 -10.258 -9.047 392 1HD PRO 46 HD2 PRO 46 88.694 -8.848 -9.039 393 2HD PRO 46 HD1 PRO 46 88.559 -10.491 -9.646 394 H GLN 47 HN GLN 47 85.069 -7.972 -12.865 395 HA GLN 47 HA GLN 47 86.147 -5.350 -13.603 396 1HB GLN 47 HB2 GLN 47 83.339 -6.495 -13.677 397 2HB GLN 47 HB1 GLN 47 83.772 -4.896 -14.284 398 1HG GLN 47 HG2 GLN 47 85.340 -5.888 -15.878 399 2HG GLN 47 HG1 GLN 47 85.004 -7.498 -15.238 400 1HE2 GLN 47 HE21 GLN 47 84.405 -7.658 -17.743 401 2HE2 GLN 47 HE22 GLN 47 82.775 -7.363 -18.114 402 H GLU 48 HN GLU 48 85.789 -3.416 -12.512 403 HA GLU 48 HA GLU 48 85.101 -3.596 -9.695 404 1HB GLU 48 HB2 GLU 48 85.693 -1.253 -11.516 405 2HB GLU 48 HB1 GLU 48 85.363 -1.076 -9.793 406 1HG GLU 48 HG2 GLU 48 87.256 -2.543 -9.257 407 2HG GLU 48 HG1 GLU 48 87.573 -2.786 -10.976 408 H GLY 49 HN GLY 49 83.159 -3.130 -8.730 409 1HA GLY 49 HA2 GLY 49 80.861 -2.627 -10.521 410 2HA GLY 49 HA1 GLY 49 80.764 -3.105 -8.826 411 H THR 50 HN THR 50 79.099 -1.161 -9.226 412 HA THR 50 HA THR 50 80.223 1.506 -9.234 413 HB THR 50 HB THR 50 77.520 0.701 -8.138 414 HG1 THR 50 HG1 THR 50 78.210 1.312 -10.817 415 1HG2 THR 50 HG21 THR 50 78.657 3.115 -8.065 416 2HG2 THR 50 HG22 THR 50 76.937 2.918 -8.401 417 3HG2 THR 50 HG23 THR 50 78.072 3.167 -9.728 418 H ILE 51 HN ILE 51 80.718 2.832 -7.473 419 HA ILE 51 HA ILE 51 80.446 1.589 -4.770 420 HB ILE 51 HB ILE 51 82.830 1.760 -5.993 421 1HG1 ILE 51 HG12 ILE 51 82.501 0.774 -3.799 422 2HG1 ILE 51 HG11 ILE 51 83.822 1.931 -3.692 423 1HG2 ILE 51 HG21 ILE 51 82.683 4.384 -4.475 424 2HG2 ILE 51 HG22 ILE 51 82.504 4.277 -6.228 425 3HG2 ILE 51 HG23 ILE 51 83.997 3.783 -5.468 426 1HD1 ILE 51 HD11 ILE 51 82.526 2.458 -1.812 427 2HD1 ILE 51 HD12 ILE 51 81.022 2.192 -2.655 428 3HD1 ILE 51 HD13 ILE 51 81.978 3.619 -2.994 429 H ASP 52 HN ASP 52 79.559 2.949 -3.258 430 HA ASP 52 HA ASP 52 78.531 5.519 -4.080 431 1HB ASP 52 HB2 ASP 52 77.461 3.985 -2.379 432 2HB ASP 52 HB1 ASP 52 78.745 4.442 -1.260 433 H ILE 53 HN ILE 53 79.372 7.549 -3.699 434 HA ILE 53 HA ILE 53 82.164 7.802 -3.072 435 HB ILE 53 HB ILE 53 80.034 9.968 -3.046 436 1HG1 ILE 53 HG12 ILE 53 81.839 9.140 -5.329 437 2HG1 ILE 53 HG11 ILE 53 80.184 8.562 -5.166 438 1HG2 ILE 53 HG21 ILE 53 82.922 9.937 -2.634 439 2HG2 ILE 53 HG22 ILE 53 81.778 11.258 -2.415 440 3HG2 ILE 53 HG23 ILE 53 82.474 10.949 -4.008 441 1HD1 ILE 53 HD11 ILE 53 80.530 11.490 -4.907 442 2HD1 ILE 53 HD12 ILE 53 79.283 10.572 -5.750 443 3HD1 ILE 53 HD13 ILE 53 80.854 10.829 -6.510 444 H LYS 54 HN LYS 54 79.308 7.707 -1.122 445 HA LYS 54 HA LYS 54 80.272 9.166 1.154 446 1HB LYS 54 HB2 LYS 54 78.316 6.844 1.045 447 2HB LYS 54 HB1 LYS 54 78.517 7.947 2.399 448 1HG LYS 54 HG2 LYS 54 77.711 8.791 -0.396 449 2HG LYS 54 HG1 LYS 54 76.586 8.563 0.942 450 1HD LYS 54 HD2 LYS 54 78.180 10.236 2.202 451 2HD LYS 54 HD1 LYS 54 78.690 10.681 0.573 452 1HE LYS 54 HE2 LYS 54 76.390 11.189 -0.055 453 2HE LYS 54 HE1 LYS 54 75.823 10.681 1.537 454 1HZ LYS 54 HZ1 LYS 54 76.799 12.481 2.563 455 2HZ LYS 54 HZ2 LYS 54 76.244 13.161 1.108 456 3HZ LYS 54 HZ3 LYS 54 77.886 12.768 1.293 457 H PHE 55 HN PHE 55 80.535 5.761 0.207 458 HA PHE 55 HA PHE 55 81.998 5.100 2.664 459 1HB PHE 55 HB2 PHE 55 80.426 3.540 1.321 460 2HB PHE 55 HB1 PHE 55 81.797 3.336 0.229 461 HD1 PHE 55 HD1 PHE 55 80.834 3.116 3.837 462 HD2 PHE 55 HD2 PHE 55 83.519 1.817 0.746 463 HE1 PHE 55 HE1 PHE 55 81.837 1.472 5.398 464 HE2 PHE 55 HE2 PHE 55 84.522 0.173 2.307 465 HZ PHE 55 HZ PHE 55 83.681 -0.000 4.633 466 H TRP 56 HN TRP 56 82.779 6.490 -0.314 467 HA TRP 56 HA TRP 56 85.263 5.367 -0.981 468 1HB TRP 56 HB2 TRP 56 84.392 7.021 -2.450 469 2HB TRP 56 HB1 TRP 56 84.262 8.198 -1.151 470 HD1 TRP 56 HD1 TRP 56 87.298 6.009 -2.042 471 HE1 TRP 56 HE1 TRP 56 89.307 7.564 -2.479 472 HE3 TRP 56 HE3 TRP 56 85.007 10.552 -1.605 473 HZ2 TRP 56 HZ2 TRP 56 89.868 10.366 -2.625 474 HZ3 TRP 56 HZ3 TRP 56 86.301 12.646 -1.897 475 HH2 TRP 56 HH2 TRP 56 88.725 12.558 -2.406 476 H ARG 57 HN ARG 57 84.518 7.775 1.500 477 HA ARG 57 HA ARG 57 87.207 8.370 2.226 478 1HB ARG 57 HB2 ARG 57 84.998 8.325 4.263 479 2HB ARG 57 HB1 ARG 57 86.313 9.483 4.077 480 1HG ARG 57 HG2 ARG 57 83.929 9.180 2.224 481 2HG ARG 57 HG1 ARG 57 84.213 10.501 3.341 482 1HD ARG 57 HD2 ARG 57 85.872 9.781 0.912 483 2HD ARG 57 HD1 ARG 57 84.923 11.234 1.159 484 HE ARG 57 HE ARG 57 87.579 10.710 2.264 485 1HH1 ARG 57 HH21 ARG 57 84.597 12.421 2.532 486 2HH1 ARG 57 HH22 ARG 57 85.276 13.731 3.438 487 1HH2 ARG 57 HH11 ARG 57 88.483 12.410 3.445 488 2HH2 ARG 57 HH12 ARG 57 87.477 13.724 3.955 489 H ARG 58 HN ARG 58 84.989 5.809 3.256 490 HA ARG 58 HA ARG 58 86.693 4.804 5.348 491 1HB ARG 58 HB2 ARG 58 84.589 3.357 3.703 492 2HB ARG 58 HB1 ARG 58 85.262 2.791 5.231 493 1HG ARG 58 HG2 ARG 58 83.914 5.479 5.003 494 2HG ARG 58 HG1 ARG 58 82.995 4.012 5.340 495 1HD ARG 58 HD2 ARG 58 84.376 3.586 7.325 496 2HD ARG 58 HD1 ARG 58 85.331 5.010 6.991 497 HE ARG 58 HE ARG 58 82.583 5.006 8.029 498 1HH1 ARG 58 HH21 ARG 58 85.282 6.699 6.703 499 2HH1 ARG 58 HH22 ARG 58 84.765 8.242 7.279 500 1HH2 ARG 58 HH11 ARG 58 81.892 7.020 8.786 501 2HH2 ARG 58 HH12 ARG 58 82.846 8.428 8.458 502 H VAL 59 HN VAL 59 86.300 3.929 1.933 503 HA VAL 59 HA VAL 59 88.114 1.731 1.945 504 HB VAL 59 HB VAL 59 87.448 3.693 -0.273 505 1HG1 VAL 59 HG11 VAL 59 89.287 1.405 -0.116 506 2HG1 VAL 59 HG12 VAL 59 89.188 2.686 -1.324 507 3HG1 VAL 59 HG13 VAL 59 88.123 1.285 -1.436 508 1HG2 VAL 59 HG21 VAL 59 85.500 2.573 -0.431 509 2HG2 VAL 59 HG22 VAL 59 85.932 1.657 1.014 510 3HG2 VAL 59 HG23 VAL 59 86.371 1.048 -0.582 511 H GLY 60 HN GLY 60 88.661 5.200 1.309 512 1HA GLY 60 HA2 GLY 60 91.453 4.977 0.757 513 2HA GLY 60 HA1 GLY 60 90.649 6.444 1.317 514 H ASP 61 HN ASP 61 89.704 5.597 3.807 515 HA ASP 61 HA ASP 61 92.071 5.846 5.415 516 1HB ASP 61 HB2 ASP 61 89.168 5.289 5.969 517 2HB ASP 61 HB1 ASP 61 90.346 5.086 7.266 518 H CYS 62 HN CYS 62 89.997 3.071 4.623 519 HA CYS 62 HA CYS 62 91.401 1.206 6.298 520 1HB CYS 62 HB2 CYS 62 89.511 0.993 3.980 521 2HB CYS 62 HB1 CYS 62 90.393 -0.448 4.492 522 HG CYS 62 HG CYS 62 89.374 0.060 6.961 523 H PHE 63 HN PHE 63 91.626 1.848 2.783 524 HA PHE 63 HA PHE 63 93.773 0.042 2.292 525 1HB PHE 63 HB2 PHE 63 92.613 2.400 0.888 526 2HB PHE 63 HB1 PHE 63 94.217 1.865 0.390 527 HD1 PHE 63 HD1 PHE 63 94.129 0.504 -1.499 528 HD2 PHE 63 HD2 PHE 63 91.077 0.116 1.494 529 HE1 PHE 63 HE1 PHE 63 93.118 -1.360 -2.778 530 HE2 PHE 63 HE2 PHE 63 90.058 -1.746 0.212 531 HZ PHE 63 HZ PHE 63 91.080 -2.484 -1.924 532 H GLN 64 HN GLN 64 93.791 3.513 3.096 533 HA GLN 64 HA GLN 64 96.607 3.884 2.965 534 1HB GLN 64 HB2 GLN 64 94.979 5.748 3.168 535 2HB GLN 64 HB1 GLN 64 94.619 5.240 4.818 536 1HG GLN 64 HG2 GLN 64 96.909 5.664 5.506 537 2HG GLN 64 HG1 GLN 64 97.379 6.022 3.844 538 1HE2 GLN 64 HE21 GLN 64 97.663 7.935 6.009 539 2HE2 GLN 64 HE22 GLN 64 96.625 9.238 5.681 540 H ASP 65 HN ASP 65 94.528 2.628 5.540 541 HA ASP 65 HA ASP 65 96.519 2.623 7.602 542 1HB ASP 65 HB2 ASP 65 93.948 1.128 7.130 543 2HB ASP 65 HB1 ASP 65 95.006 0.644 8.455 544 H TYR 66 HN TYR 66 95.523 0.111 5.276 545 HA TYR 66 HA TYR 66 97.390 -1.862 6.196 546 1HB TYR 66 HB2 TYR 66 96.046 -1.447 3.515 547 2HB TYR 66 HB1 TYR 66 97.049 -2.848 3.887 548 HD1 TYR 66 HD1 TYR 66 96.456 -4.013 6.229 549 HD2 TYR 66 HD2 TYR 66 93.749 -1.635 3.895 550 HE1 TYR 66 HE1 TYR 66 94.531 -5.100 7.349 551 HE2 TYR 66 HE2 TYR 66 91.825 -2.720 5.012 552 HH TYR 66 HH TYR 66 91.520 -3.918 7.388 553 H TYR 67 HN TYR 67 97.637 0.777 3.850 554 HA TYR 67 HA TYR 67 100.109 0.043 2.668 555 1HB TYR 67 HB2 TYR 67 99.070 1.838 1.601 556 2HB TYR 67 HB1 TYR 67 98.693 2.652 3.116 557 HD1 TYR 67 HD1 TYR 67 101.534 1.653 0.900 558 HD2 TYR 67 HD2 TYR 67 100.140 4.296 3.986 559 HE1 TYR 67 HE1 TYR 67 103.615 2.990 0.701 560 HE2 TYR 67 HE2 TYR 67 102.222 5.631 3.783 561 HH TYR 67 HH TYR 67 104.204 5.804 2.805 562 H ASN 68 HN ASN 68 99.529 2.236 5.435 563 HA ASN 68 HA ASN 68 102.303 2.556 6.065 564 1HB ASN 68 HB2 ASN 68 100.554 4.088 6.905 565 2HB ASN 68 HB1 ASN 68 99.902 2.782 7.888 566 1HD2 ASN 68 HD21 ASN 68 100.922 5.226 9.047 567 2HD2 ASN 68 HD22 ASN 68 102.303 4.835 9.953 568 H THR 69 HN THR 69 99.874 0.198 7.058 569 HA THR 69 HA THR 69 101.413 -1.009 9.145 570 HB THR 69 HB THR 69 99.388 -2.417 7.387 571 HG1 THR 69 HG1 THR 69 98.454 -0.531 8.115 572 1HG2 THR 69 HG21 THR 69 99.919 -2.764 10.340 573 2HG2 THR 69 HG22 THR 69 100.815 -3.671 9.124 574 3HG2 THR 69 HG23 THR 69 99.067 -3.856 9.248 575 H PHE 70 HN PHE 70 101.081 -1.803 5.687 576 HA PHE 70 HA PHE 70 103.520 -3.526 5.973 577 1HB PHE 70 HB2 PHE 70 101.112 -3.809 4.165 578 2HB PHE 70 HB1 PHE 70 102.582 -4.748 3.959 579 HD1 PHE 70 HD1 PHE 70 99.562 -4.275 5.955 580 HD2 PHE 70 HD2 PHE 70 103.322 -6.339 5.727 581 HE1 PHE 70 HE1 PHE 70 98.791 -5.870 7.690 582 HE2 PHE 70 HE2 PHE 70 102.550 -7.935 7.461 583 HZ PHE 70 HZ PHE 70 100.285 -7.701 8.443 584 H GLY 71 HN GLY 71 101.693 -1.582 3.590 585 1HA GLY 71 HA2 GLY 71 103.310 0.308 2.692 586 2HA GLY 71 HA1 GLY 71 104.259 -1.072 2.175 587 HA PRO 72 HA PRO 72 101.320 0.022 -1.252 588 1HB PRO 72 HB2 PRO 72 103.630 -0.515 -2.969 589 2HB PRO 72 HB1 PRO 72 102.653 0.956 -2.836 590 1HG PRO 72 HG2 PRO 72 105.216 0.760 -1.963 591 2HG PRO 72 HG1 PRO 72 104.024 1.876 -1.287 592 1HD PRO 72 HD2 PRO 72 105.039 -0.703 -0.172 593 2HD PRO 72 HD1 PRO 72 104.525 0.772 0.678 594 H GLU 73 HN GLU 73 103.425 -2.657 -0.556 595 HA GLU 73 HA GLU 73 102.777 -4.428 -2.665 596 1HB GLU 73 HB2 GLU 73 103.366 -4.948 0.261 597 2HB GLU 73 HB1 GLU 73 103.178 -6.243 -0.922 598 1HG GLU 73 HG2 GLU 73 105.013 -5.313 -2.260 599 2HG GLU 73 HG1 GLU 73 105.184 -3.976 -1.123 600 H LYS 74 HN LYS 74 101.165 -4.122 0.519 601 HA LYS 74 HA LYS 74 99.010 -5.884 -0.155 602 1HB LYS 74 HB2 LYS 74 99.167 -3.664 1.899 603 2HB LYS 74 HB1 LYS 74 97.882 -4.857 1.824 604 1HG LYS 74 HG2 LYS 74 100.814 -5.532 2.152 605 2HG LYS 74 HG1 LYS 74 99.651 -5.464 3.476 606 1HD LYS 74 HD2 LYS 74 98.275 -7.127 1.951 607 2HD LYS 74 HD1 LYS 74 99.858 -7.452 1.244 608 1HE LYS 74 HE2 LYS 74 100.761 -7.949 3.479 609 2HE LYS 74 HE1 LYS 74 99.169 -7.657 4.179 610 1HZ LYS 74 HZ1 LYS 74 98.715 -9.410 2.131 611 2HZ LYS 74 HZ2 LYS 74 98.758 -9.787 3.786 612 3HZ LYS 74 HZ3 LYS 74 100.153 -9.971 2.833 613 H VAL 75 HN VAL 75 99.453 -2.404 -0.470 614 HA VAL 75 HA VAL 75 97.118 -2.365 -2.307 615 HB VAL 75 HB VAL 75 96.251 -0.319 -1.250 616 1HG1 VAL 75 HG11 VAL 75 95.130 -1.411 0.515 617 2HG1 VAL 75 HG12 VAL 75 96.529 -2.412 0.897 618 3HG1 VAL 75 HG13 VAL 75 95.594 -2.729 -0.563 619 1HG2 VAL 75 HG21 VAL 75 97.628 0.838 0.096 620 2HG2 VAL 75 HG22 VAL 75 98.775 -0.503 0.156 621 3HG2 VAL 75 HG23 VAL 75 97.438 -0.432 1.303 622 HA PRO 76 HA PRO 76 100.926 -0.249 -3.947 623 1HB PRO 76 HB2 PRO 76 99.609 -1.143 -6.460 624 2HB PRO 76 HB1 PRO 76 101.299 -1.314 -5.952 625 1HG PRO 76 HG2 PRO 76 99.651 -3.400 -5.972 626 2HG PRO 76 HG1 PRO 76 100.862 -3.195 -4.693 627 1HD PRO 76 HD2 PRO 76 97.912 -2.687 -4.587 628 2HD PRO 76 HD1 PRO 76 98.983 -3.378 -3.345 629 H VAL 77 HN VAL 77 101.061 1.719 -5.204 630 HA VAL 77 HA VAL 77 98.978 3.579 -4.886 631 HB VAL 77 HB VAL 77 101.179 3.484 -6.973 632 1HG1 VAL 77 HG11 VAL 77 100.652 6.073 -6.858 633 2HG1 VAL 77 HG12 VAL 77 99.053 5.513 -6.370 634 3HG1 VAL 77 HG13 VAL 77 99.720 5.025 -7.928 635 1HG2 VAL 77 HG21 VAL 77 101.179 3.955 -4.178 636 2HG2 VAL 77 HG22 VAL 77 101.391 5.529 -4.946 637 3HG2 VAL 77 HG23 VAL 77 102.510 4.214 -5.306 638 H THR 78 HN THR 78 99.088 0.928 -6.998 639 HA THR 78 HA THR 78 97.685 1.943 -9.268 640 HB THR 78 HB THR 78 98.811 -0.399 -8.827 641 HG1 THR 78 HG1 THR 78 96.743 -1.070 -10.283 642 1HG2 THR 78 HG21 THR 78 97.092 -0.839 -6.969 643 2HG2 THR 78 HG22 THR 78 97.357 -2.131 -8.127 644 3HG2 THR 78 HG23 THR 78 95.930 -1.111 -8.269 645 H ALA 79 HN ALA 79 96.582 0.851 -6.104 646 HA ALA 79 HA ALA 79 93.812 0.594 -6.668 647 1HB ALA 79 HB1 ALA 79 94.652 -0.146 -4.532 648 2HB ALA 79 HB2 ALA 79 93.528 1.175 -4.213 649 3HB ALA 79 HB3 ALA 79 95.267 1.463 -4.154 650 H PHE 80 HN PHE 80 95.708 3.449 -5.668 651 HA PHE 80 HA PHE 80 93.497 5.264 -5.590 652 1HB PHE 80 HB2 PHE 80 96.449 5.725 -6.114 653 2HB PHE 80 HB1 PHE 80 95.278 7.026 -5.889 654 HD1 PHE 80 HD1 PHE 80 96.766 4.024 -4.263 655 HD2 PHE 80 HD2 PHE 80 94.529 7.651 -3.719 656 HE1 PHE 80 HE1 PHE 80 96.967 3.778 -1.803 657 HE2 PHE 80 HE2 PHE 80 94.730 7.405 -1.259 658 HZ PHE 80 HZ PHE 80 95.948 5.469 -0.301 659 H SER 81 HN SER 81 95.767 4.397 -8.200 660 HA SER 81 HA SER 81 94.763 6.240 -10.134 661 1HB SER 81 HB2 SER 81 96.882 5.017 -10.431 662 2HB SER 81 HB1 SER 81 95.997 3.501 -10.560 663 HG SER 81 HG SER 81 96.357 5.519 -12.395 664 H TYR 82 HN TYR 82 93.874 2.849 -9.464 665 HA TYR 82 HA TYR 82 91.872 2.678 -11.510 666 1HB TYR 82 HB2 TYR 82 92.494 1.140 -9.016 667 2HB TYR 82 HB1 TYR 82 90.951 0.863 -9.820 668 HD1 TYR 82 HD1 TYR 82 94.320 -0.149 -9.700 669 HD2 TYR 82 HD2 TYR 82 91.141 0.636 -12.482 670 HE1 TYR 82 HE1 TYR 82 95.442 -1.575 -11.389 671 HE2 TYR 82 HE2 TYR 82 92.267 -0.790 -14.170 672 HH TYR 82 HH TYR 82 95.480 -2.143 -13.582 673 H TRP 83 HN TRP 83 91.778 3.755 -8.139 674 HA TRP 83 HA TRP 83 88.926 4.005 -7.946 675 1HB TRP 83 HB2 TRP 83 90.853 4.191 -6.123 676 2HB TRP 83 HB1 TRP 83 90.718 5.910 -6.495 677 HD1 TRP 83 HD1 TRP 83 88.490 7.152 -5.848 678 HE1 TRP 83 HE1 TRP 83 86.518 6.517 -4.315 679 HE3 TRP 83 HE3 TRP 83 89.394 2.160 -5.273 680 HZ2 TRP 83 HZ2 TRP 83 85.462 4.197 -3.017 681 HZ3 TRP 83 HZ3 TRP 83 87.891 0.762 -3.886 682 HH2 TRP 83 HH2 TRP 83 85.932 1.773 -2.759 683 H ASN 84 HN ASN 84 91.466 6.149 -9.161 684 HA ASN 84 HA ASN 84 89.912 8.528 -9.398 685 1HB ASN 84 HB2 ASN 84 92.289 7.448 -10.912 686 2HB ASN 84 HB1 ASN 84 91.548 8.982 -11.361 687 1HD2 ASN 84 HD21 ASN 84 94.221 8.883 -10.341 688 2HD2 ASN 84 HD22 ASN 84 94.242 9.626 -8.815 689 H LEU 85 HN LEU 85 90.389 5.809 -11.654 690 HA LEU 85 HA LEU 85 88.738 6.882 -13.757 691 1HB LEU 85 HB2 LEU 85 89.403 4.021 -13.009 692 2HB LEU 85 HB1 LEU 85 88.581 4.481 -14.497 693 HG LEU 85 HG LEU 85 91.301 5.530 -13.657 694 1HD1 LEU 85 HD11 LEU 85 91.318 3.893 -16.024 695 2HD1 LEU 85 HD12 LEU 85 90.609 2.982 -14.694 696 3HD1 LEU 85 HD13 LEU 85 92.222 3.673 -14.527 697 1HD2 LEU 85 HD21 LEU 85 91.080 5.845 -16.363 698 2HD2 LEU 85 HD22 LEU 85 90.692 7.104 -15.192 699 3HD2 LEU 85 HD23 LEU 85 89.411 6.104 -15.865 700 H ILE 86 HN ILE 86 88.016 4.878 -10.918 701 HA ILE 86 HA ILE 86 85.285 4.364 -11.557 702 HB ILE 86 HB ILE 86 86.866 4.434 -9.001 703 1HG1 ILE 86 HG12 ILE 86 86.711 2.510 -10.796 704 2HG1 ILE 86 HG11 ILE 86 86.657 2.111 -9.079 705 1HG2 ILE 86 HG21 ILE 86 84.834 5.247 -8.147 706 2HG2 ILE 86 HG22 ILE 86 84.662 3.503 -7.969 707 3HG2 ILE 86 HG23 ILE 86 83.875 4.334 -9.312 708 1HD1 ILE 86 HD11 ILE 86 84.844 1.064 -10.606 709 2HD1 ILE 86 HD12 ILE 86 84.119 2.666 -10.620 710 3HD1 ILE 86 HD13 ILE 86 84.312 1.804 -9.100 711 H LYS 87 HN LYS 87 86.840 7.017 -9.778 712 HA LYS 87 HA LYS 87 84.525 8.361 -8.903 713 1HB LYS 87 HB2 LYS 87 87.327 9.127 -9.489 714 2HB LYS 87 HB1 LYS 87 86.159 10.448 -9.473 715 1HG LYS 87 HG2 LYS 87 85.411 9.819 -7.240 716 2HG LYS 87 HG1 LYS 87 86.472 8.409 -7.253 717 1HD LYS 87 HD2 LYS 87 88.445 9.859 -7.399 718 2HD LYS 87 HD1 LYS 87 87.408 11.286 -7.444 719 1HE LYS 87 HE2 LYS 87 86.564 10.800 -5.214 720 2HE LYS 87 HE1 LYS 87 87.472 9.289 -5.164 721 1HZ LYS 87 HZ1 LYS 87 89.237 11.357 -5.818 722 2HZ LYS 87 HZ2 LYS 87 89.212 10.401 -4.418 723 3HZ LYS 87 HZ3 LYS 87 88.340 11.859 -4.469 724 H GLU 88 HN GLU 88 86.230 8.599 -12.027 725 HA GLU 88 HA GLU 88 84.476 10.613 -13.113 726 1HB GLU 88 HB2 GLU 88 86.253 8.551 -14.457 727 2HB GLU 88 HB1 GLU 88 85.409 9.834 -15.323 728 1HG GLU 88 HG2 GLU 88 86.590 11.539 -14.042 729 2HG GLU 88 HG1 GLU 88 87.365 10.300 -13.055 730 H LEU 89 HN LEU 89 84.400 7.074 -13.074 731 HA LEU 89 HA LEU 89 82.289 6.770 -14.975 732 1HB LEU 89 HB2 LEU 89 83.719 4.889 -14.225 733 2HB LEU 89 HB1 LEU 89 83.006 4.999 -12.617 734 HG LEU 89 HG LEU 89 80.764 4.528 -13.593 735 1HD1 LEU 89 HD11 LEU 89 80.699 5.183 -15.796 736 2HD1 LEU 89 HD12 LEU 89 81.101 3.484 -16.042 737 3HD1 LEU 89 HD13 LEU 89 82.368 4.705 -16.101 738 1HD2 LEU 89 HD21 LEU 89 81.172 2.343 -13.278 739 2HD2 LEU 89 HD22 LEU 89 82.888 2.743 -13.204 740 3HD2 LEU 89 HD23 LEU 89 82.161 2.259 -14.736 741 H ILE 90 HN ILE 90 82.209 6.908 -11.411 742 HA ILE 90 HA ILE 90 79.319 6.828 -11.300 743 HB ILE 90 HB ILE 90 79.619 7.408 -8.925 744 1HG1 ILE 90 HG12 ILE 90 82.463 7.894 -9.807 745 2HG1 ILE 90 HG11 ILE 90 81.372 9.062 -9.064 746 1HG2 ILE 90 HG21 ILE 90 81.882 5.542 -9.502 747 2HG2 ILE 90 HG22 ILE 90 80.268 5.089 -10.046 748 3HG2 ILE 90 HG23 ILE 90 80.574 5.382 -8.333 749 1HD1 ILE 90 HD11 ILE 90 81.278 7.454 -7.069 750 2HD1 ILE 90 HD12 ILE 90 82.776 8.358 -7.298 751 3HD1 ILE 90 HD13 ILE 90 82.684 6.668 -7.786 752 H ASP 91 HN ASP 91 81.740 9.422 -11.200 753 HA ASP 91 HA ASP 91 79.867 11.544 -10.705 754 1HB ASP 91 HB2 ASP 91 82.626 11.507 -11.956 755 2HB ASP 91 HB1 ASP 91 81.719 12.994 -11.670 756 H LYS 92 HN LYS 92 81.259 10.215 -13.708 757 HA LYS 92 HA LYS 92 79.935 12.040 -15.477 758 1HB LYS 92 HB2 LYS 92 81.849 10.567 -16.127 759 2HB LYS 92 HB1 LYS 92 80.766 9.177 -16.040 760 1HG LYS 92 HG2 LYS 92 79.329 10.163 -17.770 761 2HG LYS 92 HG1 LYS 92 80.364 11.590 -17.836 762 1HD LYS 92 HD2 LYS 92 82.270 10.153 -18.519 763 2HD LYS 92 HD1 LYS 92 81.201 8.751 -18.499 764 1HE LYS 92 HE2 LYS 92 79.780 9.799 -20.221 765 2HE LYS 92 HE1 LYS 92 80.840 11.208 -20.238 766 1HZ LYS 92 HZ1 LYS 92 81.641 9.947 -21.974 767 2HZ LYS 92 HZ2 LYS 92 81.387 8.471 -21.173 768 3HZ LYS 92 HZ3 LYS 92 82.669 9.483 -20.707 769 H LYS 93 HN LYS 93 79.019 8.818 -14.251 770 HA LYS 93 HA LYS 93 76.497 8.834 -15.715 771 1HB LYS 93 HB2 LYS 93 77.919 6.802 -14.786 772 2HB LYS 93 HB1 LYS 93 76.981 7.085 -13.320 773 1HG LYS 93 HG2 LYS 93 74.893 6.841 -14.567 774 2HG LYS 93 HG1 LYS 93 75.785 6.662 -16.077 775 1HD LYS 93 HD2 LYS 93 76.843 4.615 -15.242 776 2HD LYS 93 HD1 LYS 93 75.998 4.793 -13.703 777 1HE LYS 93 HE2 LYS 93 73.831 4.618 -14.868 778 2HE LYS 93 HE1 LYS 93 74.671 4.440 -16.408 779 1HZ LYS 93 HZ1 LYS 93 75.829 2.486 -15.333 780 2HZ LYS 93 HZ2 LYS 93 74.184 2.277 -15.707 781 3HZ LYS 93 HZ3 LYS 93 74.662 2.584 -14.105 782 H GLU 94 HN GLU 94 74.659 9.839 -15.059 783 HA GLU 94 HA GLU 94 74.579 11.328 -12.573 784 1HB GLU 94 HB2 GLU 94 72.441 10.674 -14.623 785 2HB GLU 94 HB1 GLU 94 72.189 11.750 -13.248 786 1HG GLU 94 HG2 GLU 94 73.910 13.260 -14.029 787 2HG GLU 94 HG1 GLU 94 74.370 12.142 -15.314 788 H VAL 95 HN VAL 95 73.921 10.594 -10.608 789 HA VAL 95 HA VAL 95 72.212 8.143 -10.510 790 HB VAL 95 HB VAL 95 74.583 7.562 -10.026 791 1HG1 VAL 95 HG11 VAL 95 75.876 8.785 -8.620 792 2HG1 VAL 95 HG12 VAL 95 74.589 8.920 -7.420 793 3HG1 VAL 95 HG13 VAL 95 74.639 10.032 -8.789 794 1HG2 VAL 95 HG21 VAL 95 72.458 6.604 -8.797 795 2HG2 VAL 95 HG22 VAL 95 73.109 7.469 -7.407 796 3HG2 VAL 95 HG23 VAL 95 74.064 6.210 -8.188 797 H ASN 96 HN ASN 96 71.264 7.899 -8.215 798 HA ASN 96 HA ASN 96 70.629 10.614 -7.111 799 1HB ASN 96 HB2 ASN 96 68.683 9.877 -8.270 800 2HB ASN 96 HB1 ASN 96 68.802 8.262 -7.570 801 1HD2 ASN 96 HD21 ASN 96 68.853 11.618 -6.212 802 2HD2 ASN 96 HD22 ASN 96 67.704 11.297 -5.005 803 HA PRO 97 HA PRO 97 72.622 8.041 -3.798 804 1HB PRO 97 HB2 PRO 97 73.103 10.804 -2.801 805 2HB PRO 97 HB1 PRO 97 74.235 9.446 -2.949 806 1HG PRO 97 HG2 PRO 97 74.333 11.505 -4.627 807 2HG PRO 97 HG1 PRO 97 74.625 9.846 -5.185 808 1HD PRO 97 HD2 PRO 97 72.178 11.535 -5.515 809 2HD PRO 97 HD1 PRO 97 72.925 10.386 -6.647 810 H GLN 98 HN GLN 98 71.840 7.638 -1.705 811 HA GLN 98 HA GLN 98 69.144 8.157 -1.102 812 1HB GLN 98 HB2 GLN 98 71.378 7.692 0.903 813 2HB GLN 98 HB1 GLN 98 69.656 7.454 1.199 814 1HG GLN 98 HG2 GLN 98 71.260 5.985 -0.913 815 2HG GLN 98 HG1 GLN 98 70.824 5.319 0.661 816 1HE2 GLN 98 HE21 GLN 98 69.895 5.011 -2.428 817 2HE2 GLN 98 HE22 GLN 98 68.218 4.827 -2.247 818 H VAL 99 HN VAL 99 72.037 9.972 -0.093 819 HA VAL 99 HA VAL 99 70.211 12.210 0.700 820 HB VAL 99 HB VAL 99 71.226 11.169 2.696 821 1HG1 VAL 99 HG11 VAL 99 73.944 12.094 1.944 822 2HG1 VAL 99 HG12 VAL 99 73.366 10.649 1.116 823 3HG1 VAL 99 HG13 VAL 99 73.453 10.679 2.876 824 1HG2 VAL 99 HG21 VAL 99 70.940 13.747 2.309 825 2HG2 VAL 99 HG22 VAL 99 72.702 13.754 2.240 826 3HG2 VAL 99 HG23 VAL 99 71.878 13.192 3.694 827 H MET 100 HN MET 100 70.448 13.604 -1.004 828 HA MET 100 HA MET 100 71.511 14.957 -2.602 829 1HB MET 100 HB2 MET 100 73.543 15.013 -0.353 830 2HB MET 100 HB1 MET 100 73.559 16.108 -1.735 831 1HG MET 100 HG2 MET 100 71.189 16.763 -1.103 832 2HG MET 100 HG1 MET 100 71.415 15.853 0.389 833 1HE MET 100 HE1 MET 100 74.724 16.621 1.043 834 2HE MET 100 HE2 MET 100 73.269 16.002 1.820 835 3HE MET 100 HE3 MET 100 73.990 17.506 2.387 Start of MODEL 10 1 1H MET 1 HT1 MET 1 71.519 -5.788 -1.310 2 2H MET 1 HT2 MET 1 72.867 -6.718 -1.764 3 3H MET 1 HT3 MET 1 72.882 -5.850 -0.303 4 HA MET 1 HA MET 1 72.480 -8.044 0.342 5 1HB MET 1 HB2 MET 1 69.828 -6.597 0.060 6 2HB MET 1 HB1 MET 1 70.117 -7.977 1.120 7 1HG MET 1 HG2 MET 1 71.823 -6.711 2.344 8 2HG MET 1 HG1 MET 1 71.605 -5.338 1.260 9 1HE MET 1 HE1 MET 1 68.894 -6.974 4.511 10 2HE MET 1 HE2 MET 1 70.268 -7.724 3.702 11 3HE MET 1 HE3 MET 1 68.688 -7.725 2.923 12 H GLY 2 HN GLY 2 69.866 -9.315 0.004 13 1HA GLY 2 HA2 GLY 2 68.688 -10.689 -1.519 14 2HA GLY 2 HA1 GLY 2 69.558 -9.908 -2.840 15 H GLN 3 HN GLN 3 71.522 -11.081 -0.278 16 HA GLN 3 HA GLN 3 72.127 -13.555 -1.847 17 1HB GLN 3 HB2 GLN 3 74.067 -11.563 -0.642 18 2HB GLN 3 HB1 GLN 3 74.544 -13.174 -1.181 19 1HG GLN 3 HG2 GLN 3 73.688 -12.660 -3.447 20 2HG GLN 3 HG1 GLN 3 73.251 -11.039 -2.905 21 1HE2 GLN 3 HE21 GLN 3 75.683 -12.706 -4.483 22 2HE2 GLN 3 HE22 GLN 3 76.983 -11.666 -4.154 23 H GLU 4 HN GLU 4 73.168 -15.256 -0.509 24 HA GLU 4 HA GLU 4 71.806 -15.712 1.938 25 1HB GLU 4 HB2 GLU 4 74.425 -16.887 0.954 26 2HB GLU 4 HB1 GLU 4 73.467 -17.531 2.287 27 1HG GLU 4 HG2 GLU 4 72.452 -17.191 -0.550 28 2HG GLU 4 HG1 GLU 4 73.027 -18.713 0.132 29 H LEU 5 HN LEU 5 72.320 -15.237 4.062 30 HA LEU 5 HA LEU 5 74.619 -13.396 4.465 31 1HB LEU 5 HB2 LEU 5 72.142 -13.995 6.096 32 2HB LEU 5 HB1 LEU 5 73.473 -13.018 6.716 33 HG LEU 5 HG LEU 5 72.024 -12.429 4.121 34 1HD1 LEU 5 HD11 LEU 5 71.185 -12.013 6.840 35 2HD1 LEU 5 HD12 LEU 5 70.363 -11.542 5.353 36 3HD1 LEU 5 HD13 LEU 5 71.530 -10.450 6.098 37 1HD2 LEU 5 HD21 LEU 5 74.308 -11.267 5.617 38 2HD2 LEU 5 HD22 LEU 5 73.141 -10.104 4.986 39 3HD2 LEU 5 HD23 LEU 5 73.954 -11.222 3.890 40 H SER 6 HN SER 6 76.429 -14.633 4.856 41 HA SER 6 HA SER 6 76.291 -17.092 6.428 42 1HB SER 6 HB2 SER 6 78.686 -17.214 6.075 43 2HB SER 6 HB1 SER 6 77.932 -16.724 4.561 44 HG SER 6 HG SER 6 78.903 -14.862 4.706 45 H GLN 7 HN GLN 7 77.913 -17.286 8.337 46 HA GLN 7 HA GLN 7 77.089 -15.586 10.444 47 1HB GLN 7 HB2 GLN 7 79.584 -17.289 10.169 48 2HB GLN 7 HB1 GLN 7 79.083 -16.516 11.674 49 1HG GLN 7 HG2 GLN 7 76.939 -17.733 11.593 50 2HG GLN 7 HG1 GLN 7 77.434 -18.507 10.086 51 1HE2 GLN 7 HE21 GLN 7 76.988 -20.444 11.765 52 2HE2 GLN 7 HE22 GLN 7 78.367 -21.000 12.584 53 H HIS 8 HN HIS 8 79.973 -15.423 8.367 54 HA HIS 8 HA HIS 8 81.181 -13.199 9.729 55 1HB HIS 8 HB2 HIS 8 82.400 -14.674 8.135 56 2HB HIS 8 HB1 HIS 8 81.443 -14.001 6.815 57 HD2 HIS 8 HD2 HIS 8 82.454 -11.625 5.788 58 HE1 HIS 8 HE1 HIS 8 85.228 -10.810 8.867 59 HE2 HIS 8 HE2 HIS 8 84.377 -10.059 6.598 60 H GLU 9 HN GLU 9 79.063 -13.386 6.857 61 HA GLU 9 HA GLU 9 79.006 -10.576 6.343 62 1HB GLU 9 HB2 GLU 9 76.936 -12.719 5.773 63 2HB GLU 9 HB1 GLU 9 76.886 -11.085 5.112 64 1HG GLU 9 HG2 GLU 9 79.069 -11.439 4.034 65 2HG GLU 9 HG1 GLU 9 79.147 -13.067 4.710 66 H ARG 10 HN ARG 10 77.024 -12.646 8.433 67 HA ARG 10 HA ARG 10 75.078 -10.691 9.156 68 1HB ARG 10 HB2 ARG 10 76.179 -13.099 10.621 69 2HB ARG 10 HB1 ARG 10 74.873 -12.107 11.270 70 1HG ARG 10 HG2 ARG 10 73.502 -12.552 9.297 71 2HG ARG 10 HG1 ARG 10 74.820 -13.461 8.558 72 1HD ARG 10 HD2 ARG 10 74.740 -15.093 10.404 73 2HD ARG 10 HD1 ARG 10 73.426 -14.185 11.152 74 HE ARG 10 HE ARG 10 72.818 -14.959 8.414 75 1HH1 ARG 10 HH21 ARG 10 72.926 -15.920 11.723 76 2HH1 ARG 10 HH22 ARG 10 71.690 -17.121 11.553 77 1HH2 ARG 10 HH11 ARG 10 71.204 -16.522 8.173 78 2HH2 ARG 10 HH12 ARG 10 70.716 -17.462 9.542 79 H TYR 11 HN TYR 11 78.260 -11.464 10.550 80 HA TYR 11 HA TYR 11 78.122 -9.697 12.777 81 1HB TYR 11 HB2 TYR 11 79.917 -11.345 12.557 82 2HB TYR 11 HB1 TYR 11 80.520 -10.527 11.115 83 HD1 TYR 11 HD1 TYR 11 81.849 -8.536 11.265 84 HD2 TYR 11 HD2 TYR 11 80.021 -10.199 14.778 85 HE1 TYR 11 HE1 TYR 11 83.201 -7.018 12.686 86 HE2 TYR 11 HE2 TYR 11 81.373 -8.681 16.200 87 HH TYR 11 HH TYR 11 83.520 -7.431 16.028 88 H VAL 12 HN VAL 12 78.981 -9.127 9.385 89 HA VAL 12 HA VAL 12 79.966 -6.469 9.685 90 HB VAL 12 HB VAL 12 78.425 -7.636 7.346 91 1HG1 VAL 12 HG11 VAL 12 80.362 -5.312 7.568 92 2HG1 VAL 12 HG12 VAL 12 78.635 -5.201 7.229 93 3HG1 VAL 12 HG13 VAL 12 79.719 -5.945 6.053 94 1HG2 VAL 12 HG21 VAL 12 80.882 -7.905 6.510 95 2HG2 VAL 12 HG22 VAL 12 80.254 -9.091 7.654 96 3HG2 VAL 12 HG23 VAL 12 81.308 -7.794 8.218 97 H GLU 13 HN GLU 13 76.666 -7.689 9.114 98 HA GLU 13 HA GLU 13 75.343 -5.210 8.867 99 1HB GLU 13 HB2 GLU 13 74.241 -7.404 8.518 100 2HB GLU 13 HB1 GLU 13 74.323 -7.708 10.254 101 1HG GLU 13 HG2 GLU 13 72.961 -5.682 10.666 102 2HG GLU 13 HG1 GLU 13 72.854 -5.411 8.927 103 H GLN 14 HN GLN 14 76.039 -7.080 11.842 104 HA GLN 14 HA GLN 14 74.925 -5.121 13.624 105 1HB GLN 14 HB2 GLN 14 75.408 -7.463 14.303 106 2HB GLN 14 HB1 GLN 14 77.134 -7.138 14.147 107 1HG GLN 14 HG2 GLN 14 77.018 -5.436 15.889 108 2HG GLN 14 HG1 GLN 14 75.267 -5.623 15.995 109 1HE2 GLN 14 HE21 GLN 14 77.067 -6.088 18.236 110 2HE2 GLN 14 HE22 GLN 14 76.958 -7.733 18.642 111 H LEU 15 HN LEU 15 78.140 -5.575 12.214 112 HA LEU 15 HA LEU 15 79.498 -3.616 13.790 113 1HB LEU 15 HB2 LEU 15 80.688 -5.235 12.350 114 2HB LEU 15 HB1 LEU 15 80.018 -4.454 10.918 115 HG LEU 15 HG LEU 15 81.135 -2.344 11.544 116 1HD1 LEU 15 HD11 LEU 15 81.406 -2.239 13.830 117 2HD1 LEU 15 HD12 LEU 15 83.008 -2.839 13.399 118 3HD1 LEU 15 HD13 LEU 15 81.771 -3.959 13.971 119 1HD2 LEU 15 HD21 LEU 15 82.629 -3.344 10.138 120 2HD2 LEU 15 HD22 LEU 15 82.558 -4.879 11.005 121 3HD2 LEU 15 HD23 LEU 15 83.582 -3.573 11.605 122 H LYS 16 HN LYS 16 77.697 -3.388 10.736 123 HA LYS 16 HA LYS 16 78.238 -0.644 10.194 124 1HB LYS 16 HB2 LYS 16 77.178 -2.216 8.575 125 2HB LYS 16 HB1 LYS 16 75.712 -2.199 9.556 126 1HG LYS 16 HG2 LYS 16 75.470 0.210 9.215 127 2HG LYS 16 HG1 LYS 16 76.983 0.255 8.309 128 1HD LYS 16 HD2 LYS 16 76.015 -1.272 6.623 129 2HD LYS 16 HD1 LYS 16 74.497 -1.294 7.522 130 1HE LYS 16 HE2 LYS 16 74.273 1.141 7.216 131 2HE LYS 16 HE1 LYS 16 75.793 1.172 6.323 132 1HZ LYS 16 HZ1 LYS 16 73.673 1.057 4.973 133 2HZ LYS 16 HZ2 LYS 16 73.529 -0.549 5.507 134 3HZ LYS 16 HZ3 LYS 16 74.877 -0.073 4.589 135 H GLN 17 HN GLN 17 75.623 -2.183 12.072 136 HA GLN 17 HA GLN 17 74.140 0.149 12.668 137 1HB GLN 17 HB2 GLN 17 74.643 -2.332 14.337 138 2HB GLN 17 HB1 GLN 17 73.461 -1.092 14.760 139 1HG GLN 17 HG2 GLN 17 72.259 -1.466 12.672 140 2HG GLN 17 HG1 GLN 17 73.482 -2.621 12.142 141 1HE2 GLN 17 HE21 GLN 17 71.239 -3.926 12.110 142 2HE2 GLN 17 HE22 GLN 17 70.908 -4.806 13.524 143 H ALA 18 HN ALA 18 76.892 -1.290 14.431 144 HA ALA 18 HA ALA 18 77.013 0.727 16.461 145 1HB ALA 18 HB1 ALA 18 79.432 -0.746 15.420 146 2HB ALA 18 HB2 ALA 18 78.198 -1.578 16.367 147 3HB ALA 18 HB3 ALA 18 79.089 -0.227 17.069 148 H LEU 19 HN LEU 19 78.589 0.431 13.285 149 HA LEU 19 HA LEU 19 80.217 2.777 13.540 150 1HB LEU 19 HB2 LEU 19 79.092 1.361 11.108 151 2HB LEU 19 HB1 LEU 19 80.234 2.702 11.011 152 HG LEU 19 HG LEU 19 80.757 0.162 12.576 153 1HD1 LEU 19 HD11 LEU 19 82.306 -0.386 10.687 154 2HD1 LEU 19 HD12 LEU 19 81.632 0.973 9.788 155 3HD1 LEU 19 HD13 LEU 19 80.608 -0.399 10.210 156 1HD2 LEU 19 HD21 LEU 19 82.187 2.718 12.083 157 2HD2 LEU 19 HD22 LEU 19 83.169 1.256 11.983 158 3HD2 LEU 19 HD23 LEU 19 82.284 1.624 13.463 159 H LYS 20 HN LYS 20 76.890 2.263 12.447 160 HA LYS 20 HA LYS 20 76.436 4.874 11.387 161 1HB LYS 20 HB2 LYS 20 74.897 2.920 11.096 162 2HB LYS 20 HB1 LYS 20 74.432 3.080 12.789 163 1HG LYS 20 HG2 LYS 20 73.610 5.350 12.382 164 2HG LYS 20 HG1 LYS 20 74.138 5.259 10.701 165 1HD LYS 20 HD2 LYS 20 72.598 3.360 10.324 166 2HD LYS 20 HD1 LYS 20 72.053 3.479 11.997 167 1HE LYS 20 HE2 LYS 20 71.304 5.806 11.569 168 2HE LYS 20 HE1 LYS 20 71.794 5.638 9.884 169 1HZ LYS 20 HZ1 LYS 20 70.267 3.463 10.233 170 2HZ LYS 20 HZ2 LYS 20 69.702 4.937 9.604 171 3HZ LYS 20 HZ3 LYS 20 69.481 4.572 11.249 172 H THR 21 HN THR 21 76.203 3.576 14.678 173 HA THR 21 HA THR 21 75.046 5.922 15.861 174 HB THR 21 HB THR 21 75.840 4.971 17.996 175 HG1 THR 21 HG1 THR 21 77.777 4.130 17.625 176 1HG2 THR 21 HG21 THR 21 73.928 3.808 17.602 177 2HG2 THR 21 HG22 THR 21 75.019 2.461 17.280 178 3HG2 THR 21 HG23 THR 21 74.391 3.426 15.945 179 H ARG 22 HN ARG 22 78.363 4.973 15.116 180 HA ARG 22 HA ARG 22 79.608 7.112 16.615 181 1HB ARG 22 HB2 ARG 22 80.627 5.520 14.240 182 2HB ARG 22 HB1 ARG 22 81.616 6.560 15.267 183 1HG ARG 22 HG2 ARG 22 81.142 5.178 17.211 184 2HG ARG 22 HG1 ARG 22 80.015 4.192 16.277 185 1HD ARG 22 HD2 ARG 22 82.026 2.934 16.302 186 2HD ARG 22 HD1 ARG 22 82.002 3.705 14.716 187 HE ARG 22 HE ARG 22 83.818 5.086 15.398 188 1HH1 ARG 22 HH21 ARG 22 82.457 3.242 17.975 189 2HH1 ARG 22 HH22 ARG 22 83.750 3.581 19.077 190 1HH2 ARG 22 HH11 ARG 22 85.513 5.538 16.823 191 2HH2 ARG 22 HH12 ARG 22 85.479 4.881 18.425 192 H GLY 23 HN GLY 23 77.961 6.939 13.585 193 1HA GLY 23 HA2 GLY 23 77.253 9.199 12.719 194 2HA GLY 23 HA1 GLY 23 78.932 9.697 12.941 195 H VAL 24 HN VAL 24 77.548 6.718 11.537 196 HA VAL 24 HA VAL 24 79.030 7.376 9.020 197 HB VAL 24 HB VAL 24 78.595 4.691 10.361 198 1HG1 VAL 24 HG11 VAL 24 79.697 5.397 7.626 199 2HG1 VAL 24 HG12 VAL 24 78.303 4.377 7.982 200 3HG1 VAL 24 HG13 VAL 24 79.927 3.826 8.396 201 1HG2 VAL 24 HG21 VAL 24 80.462 5.846 11.326 202 2HG2 VAL 24 HG22 VAL 24 81.017 6.403 9.746 203 3HG2 VAL 24 HG23 VAL 24 81.142 4.697 10.173 204 H LYS 25 HN LYS 25 77.803 7.340 7.174 205 HA LYS 25 HA LYS 25 75.141 5.994 7.303 206 1HB LYS 25 HB2 LYS 25 75.720 8.777 6.239 207 2HB LYS 25 HB1 LYS 25 74.185 7.930 6.042 208 1HG LYS 25 HG2 LYS 25 73.950 7.786 8.497 209 2HG LYS 25 HG1 LYS 25 75.479 8.644 8.691 210 1HD LYS 25 HD2 LYS 25 74.547 10.593 7.507 211 2HD LYS 25 HD1 LYS 25 73.019 9.738 7.296 212 1HE LYS 25 HE2 LYS 25 72.806 9.561 9.770 213 2HE LYS 25 HE1 LYS 25 74.290 10.499 9.942 214 1HZ LYS 25 HZ1 LYS 25 71.704 11.457 9.617 215 2HZ LYS 25 HZ2 LYS 25 72.534 11.820 8.179 216 3HZ LYS 25 HZ3 LYS 25 73.142 12.356 9.672 217 H VAL 26 HN VAL 26 75.964 4.293 5.994 218 HA VAL 26 HA VAL 26 76.436 5.091 3.157 219 HB VAL 26 HB VAL 26 78.131 3.289 2.978 220 1HG1 VAL 26 HG11 VAL 26 78.769 5.656 3.529 221 2HG1 VAL 26 HG12 VAL 26 79.913 4.462 4.140 222 3HG1 VAL 26 HG13 VAL 26 78.756 5.215 5.236 223 1HG2 VAL 26 HG21 VAL 26 77.391 1.813 4.748 224 2HG2 VAL 26 HG22 VAL 26 77.621 3.074 5.960 225 3HG2 VAL 26 HG23 VAL 26 79.018 2.360 5.154 226 H LYS 27 HN LYS 27 75.956 3.277 1.637 227 HA LYS 27 HA LYS 27 73.515 1.897 2.458 228 1HB LYS 27 HB2 LYS 27 75.104 1.739 -0.123 229 2HB LYS 27 HB1 LYS 27 73.491 1.072 0.127 230 1HG LYS 27 HG2 LYS 27 72.649 3.348 0.650 231 2HG LYS 27 HG1 LYS 27 74.256 4.000 0.331 232 1HD LYS 27 HD2 LYS 27 74.155 3.208 -1.982 233 2HD LYS 27 HD1 LYS 27 72.585 2.462 -1.679 234 1HE LYS 27 HE2 LYS 27 72.232 4.610 -2.766 235 2HE LYS 27 HE1 LYS 27 71.678 4.719 -1.096 236 1HZ LYS 27 HZ1 LYS 27 73.482 5.981 -0.482 237 2HZ LYS 27 HZ2 LYS 27 73.195 6.555 -2.055 238 3HZ LYS 27 HZ3 LYS 27 74.448 5.445 -1.769 239 H TYR 28 HN TYR 28 73.260 -0.371 2.651 240 HA TYR 28 HA TYR 28 75.474 -1.813 3.740 241 1HB TYR 28 HB2 TYR 28 73.083 -2.344 4.214 242 2HB TYR 28 HB1 TYR 28 72.913 -2.939 2.563 243 HD1 TYR 28 HD1 TYR 28 74.567 -3.511 5.826 244 HD2 TYR 28 HD2 TYR 28 73.842 -5.060 1.885 245 HE1 TYR 28 HE1 TYR 28 75.465 -5.715 6.527 246 HE2 TYR 28 HE2 TYR 28 74.739 -7.263 2.586 247 HH TYR 28 HH TYR 28 76.429 -7.702 5.543 248 H ALA 29 HN ALA 29 74.115 -1.637 0.485 249 HA ALA 29 HA ALA 29 75.469 -3.835 -0.686 250 1HB ALA 29 HB1 ALA 29 75.451 -1.745 -2.595 251 2HB ALA 29 HB2 ALA 29 74.013 -1.518 -1.600 252 3HB ALA 29 HB3 ALA 29 74.279 -3.051 -2.429 253 H ASP 30 HN ASP 30 76.585 -0.570 0.070 254 HA ASP 30 HA ASP 30 79.035 -0.644 -1.387 255 1HB ASP 30 HB2 ASP 30 78.257 0.786 1.167 256 2HB ASP 30 HB1 ASP 30 79.804 1.035 0.357 257 H LEU 31 HN LEU 31 78.203 -1.770 1.880 258 HA LEU 31 HA LEU 31 80.833 -2.478 2.708 259 1HB LEU 31 HB2 LEU 31 78.082 -3.467 3.435 260 2HB LEU 31 HB1 LEU 31 79.518 -4.243 4.106 261 HG LEU 31 HG LEU 31 78.587 -2.395 5.545 262 1HD1 LEU 31 HD11 LEU 31 81.222 -1.347 4.725 263 2HD1 LEU 31 HD12 LEU 31 81.188 -3.084 5.028 264 3HD1 LEU 31 HD13 LEU 31 80.692 -1.958 6.292 265 1HD2 LEU 31 HD21 LEU 31 78.736 -0.124 4.825 266 2HD2 LEU 31 HD22 LEU 31 77.986 -0.989 3.483 267 3HD2 LEU 31 HD23 LEU 31 79.695 -0.559 3.411 268 H LEU 32 HN LEU 32 78.353 -4.368 0.975 269 HA LEU 32 HA LEU 32 79.880 -6.778 0.783 270 1HB LEU 32 HB2 LEU 32 77.719 -5.642 -1.014 271 2HB LEU 32 HB1 LEU 32 78.371 -7.274 -1.171 272 HG LEU 32 HG LEU 32 77.145 -6.194 1.380 273 1HD1 LEU 32 HD11 LEU 32 75.896 -7.131 -1.060 274 2HD1 LEU 32 HD12 LEU 32 75.138 -6.506 0.405 275 3HD1 LEU 32 HD13 LEU 32 75.529 -8.220 0.277 276 1HD2 LEU 32 HD21 LEU 32 78.337 -8.785 0.478 277 2HD2 LEU 32 HD22 LEU 32 76.960 -8.852 1.578 278 3HD2 LEU 32 HD23 LEU 32 78.427 -7.999 2.055 279 H LYS 33 HN LYS 33 79.644 -3.943 -1.363 280 HA LYS 33 HA LYS 33 81.357 -4.988 -3.413 281 1HB LYS 33 HB2 LYS 33 80.763 -2.129 -2.589 282 2HB LYS 33 HB1 LYS 33 81.636 -2.579 -4.054 283 1HG LYS 33 HG2 LYS 33 79.696 -3.853 -4.848 284 2HG LYS 33 HG1 LYS 33 78.819 -3.467 -3.366 285 1HD LYS 33 HD2 LYS 33 78.928 -1.071 -3.907 286 2HD LYS 33 HD1 LYS 33 79.840 -1.434 -5.373 287 1HE LYS 33 HE2 LYS 33 77.939 -2.766 -6.223 288 2HE LYS 33 HE1 LYS 33 77.025 -2.386 -4.763 289 1HZ LYS 33 HZ1 LYS 33 77.705 -0.679 -7.031 290 2HZ LYS 33 HZ2 LYS 33 77.680 0.049 -5.496 291 3HZ LYS 33 HZ3 LYS 33 76.292 -0.726 -6.096 292 H PHE 34 HN PHE 34 81.990 -3.301 -0.377 293 HA PHE 34 HA PHE 34 84.718 -2.634 -0.820 294 1HB PHE 34 HB2 PHE 34 83.541 -1.772 1.120 295 2HB PHE 34 HB1 PHE 34 83.272 -3.404 1.732 296 HD1 PHE 34 HD1 PHE 34 86.136 -1.286 0.529 297 HD2 PHE 34 HD2 PHE 34 84.715 -4.153 3.395 298 HE1 PHE 34 HE1 PHE 34 88.325 -1.212 1.690 299 HE2 PHE 34 HE2 PHE 34 86.905 -4.078 4.556 300 HZ PHE 34 HZ PHE 34 88.711 -2.608 3.703 301 H PHE 35 HN PHE 35 83.262 -5.601 0.536 302 HA PHE 35 HA PHE 35 85.726 -6.962 1.017 303 1HB PHE 35 HB2 PHE 35 82.918 -7.937 0.466 304 2HB PHE 35 HB1 PHE 35 84.251 -9.051 0.773 305 HD1 PHE 35 HD1 PHE 35 85.651 -8.664 2.920 306 HD2 PHE 35 HD2 PHE 35 81.775 -6.933 2.260 307 HE1 PHE 35 HE1 PHE 35 85.404 -8.287 5.359 308 HE2 PHE 35 HE2 PHE 35 81.529 -6.556 4.699 309 HZ PHE 35 HZ PHE 35 83.343 -7.234 6.248 310 H ASP 36 HN ASP 36 83.569 -6.943 -1.827 311 HA ASP 36 HA ASP 36 85.110 -8.788 -3.379 312 1HB ASP 36 HB2 ASP 36 83.198 -6.570 -4.142 313 2HB ASP 36 HB1 ASP 36 83.965 -7.610 -5.343 314 H PHE 37 HN PHE 37 85.178 -5.229 -3.173 315 HA PHE 37 HA PHE 37 87.214 -4.841 -5.142 316 1HB PHE 37 HB2 PHE 37 85.753 -3.035 -4.172 317 2HB PHE 37 HB1 PHE 37 86.703 -3.133 -2.690 318 HD1 PHE 37 HD1 PHE 37 86.704 -2.121 -6.225 319 HD2 PHE 37 HD2 PHE 37 89.047 -2.414 -2.636 320 HE1 PHE 37 HE1 PHE 37 88.417 -0.628 -7.220 321 HE2 PHE 37 HE2 PHE 37 90.759 -0.923 -3.631 322 HZ PHE 37 HZ PHE 37 90.444 -0.029 -5.923 323 H VAL 38 HN VAL 38 87.415 -5.203 -1.595 324 HA VAL 38 HA VAL 38 90.242 -4.930 -1.395 325 HB VAL 38 HB VAL 38 88.298 -6.532 0.295 326 1HG1 VAL 38 HG11 VAL 38 91.234 -6.221 0.389 327 2HG1 VAL 38 HG12 VAL 38 90.209 -7.457 1.118 328 3HG1 VAL 38 HG13 VAL 38 90.411 -5.898 1.915 329 1HG2 VAL 38 HG21 VAL 38 89.516 -4.138 1.434 330 2HG2 VAL 38 HG22 VAL 38 87.811 -4.571 1.309 331 3HG2 VAL 38 HG23 VAL 38 88.621 -3.776 -0.042 332 H LYS 39 HN LYS 39 88.221 -7.835 -1.877 333 HA LYS 39 HA LYS 39 90.407 -9.691 -1.913 334 1HB LYS 39 HB2 LYS 39 87.630 -9.793 -3.117 335 2HB LYS 39 HB1 LYS 39 88.756 -11.149 -3.188 336 1HG LYS 39 HG2 LYS 39 88.914 -11.137 -0.717 337 2HG LYS 39 HG1 LYS 39 87.757 -9.808 -0.658 338 1HD LYS 39 HD2 LYS 39 86.066 -11.222 -1.761 339 2HD LYS 39 HD1 LYS 39 87.221 -12.552 -1.833 340 1HE LYS 39 HE2 LYS 39 87.370 -12.562 0.630 341 2HE LYS 39 HE1 LYS 39 86.214 -11.232 0.705 342 1HZ LYS 39 HZ1 LYS 39 85.290 -13.419 -0.895 343 2HZ LYS 39 HZ2 LYS 39 84.518 -12.610 0.384 344 3HZ LYS 39 HZ3 LYS 39 85.599 -13.880 0.707 345 H ASP 40 HN ASP 40 88.961 -7.630 -4.372 346 HA ASP 40 HA ASP 40 90.242 -8.867 -6.636 347 1HB ASP 40 HB2 ASP 40 88.968 -6.191 -6.118 348 2HB ASP 40 HB1 ASP 40 89.848 -6.474 -7.620 349 H THR 41 HN THR 41 91.393 -6.803 -4.122 350 HA THR 41 HA THR 41 93.403 -5.320 -5.430 351 HB THR 41 HB THR 41 93.506 -6.582 -2.672 352 HG1 THR 41 HG1 THR 41 91.744 -5.183 -3.013 353 1HG2 THR 41 HG21 THR 41 94.914 -4.174 -2.687 354 2HG2 THR 41 HG22 THR 41 95.397 -4.967 -4.186 355 3HG2 THR 41 HG23 THR 41 95.616 -5.791 -2.642 356 H CYS 42 HN CYS 42 93.674 -8.573 -3.959 357 HA CYS 42 HA CYS 42 96.138 -8.964 -5.613 358 1HB CYS 42 HB2 CYS 42 95.624 -9.385 -2.772 359 2HB CYS 42 HB1 CYS 42 96.219 -10.848 -3.556 360 HG CYS 42 HG CYS 42 98.096 -8.906 -2.739 361 HA PRO 43 HA PRO 43 93.909 -13.374 -5.052 362 1HB PRO 43 HB2 PRO 43 91.184 -12.185 -4.735 363 2HB PRO 43 HB1 PRO 43 91.858 -13.665 -4.025 364 1HG PRO 43 HG2 PRO 43 91.577 -11.342 -2.656 365 2HG PRO 43 HG1 PRO 43 92.814 -12.557 -2.292 366 1HD PRO 43 HD2 PRO 43 93.196 -9.858 -3.384 367 2HD PRO 43 HD1 PRO 43 94.361 -11.024 -2.721 368 H TRP 44 HN TRP 44 91.787 -10.784 -6.351 369 HA TRP 44 HA TRP 44 91.937 -12.170 -9.001 370 1HB TRP 44 HB2 TRP 44 89.697 -10.318 -8.202 371 2HB TRP 44 HB1 TRP 44 89.701 -11.578 -9.438 372 HD1 TRP 44 HD1 TRP 44 90.859 -13.967 -7.768 373 HE1 TRP 44 HE1 TRP 44 89.439 -15.051 -5.908 374 HE3 TRP 44 HE3 TRP 44 87.583 -10.164 -6.829 375 HZ2 TRP 44 HZ2 TRP 44 87.208 -14.391 -4.241 376 HZ3 TRP 44 HZ3 TRP 44 85.824 -10.417 -5.103 377 HH2 TRP 44 HH2 TRP 44 85.631 -12.524 -3.809 378 H PHE 45 HN PHE 45 90.307 -9.471 -9.622 379 HA PHE 45 HA PHE 45 92.252 -7.371 -9.474 380 1HB PHE 45 HB2 PHE 45 93.018 -9.258 -11.302 381 2HB PHE 45 HB1 PHE 45 92.083 -8.158 -12.314 382 HD1 PHE 45 HD1 PHE 45 93.304 -6.466 -13.332 383 HD2 PHE 45 HD2 PHE 45 94.517 -7.878 -9.461 384 HE1 PHE 45 HE1 PHE 45 95.195 -4.860 -13.338 385 HE2 PHE 45 HE2 PHE 45 96.407 -6.272 -9.467 386 HZ PHE 45 HZ PHE 45 96.746 -4.763 -11.407 387 HA PRO 46 HA PRO 46 88.615 -6.501 -12.680 388 1HB PRO 46 HB2 PRO 46 86.721 -8.568 -11.694 389 2HB PRO 46 HB1 PRO 46 87.059 -8.045 -13.355 390 1HG PRO 46 HG2 PRO 46 87.918 -10.389 -12.432 391 2HG PRO 46 HG1 PRO 46 88.881 -9.425 -13.563 392 1HD PRO 46 HD2 PRO 46 89.237 -9.776 -10.602 393 2HD PRO 46 HD1 PRO 46 90.500 -9.609 -11.842 394 H GLN 47 HN GLN 47 87.398 -4.780 -11.987 395 HA GLN 47 HA GLN 47 86.309 -4.904 -9.202 396 1HB GLN 47 HB2 GLN 47 87.371 -2.505 -10.726 397 2HB GLN 47 HB1 GLN 47 86.661 -2.450 -9.113 398 1HG GLN 47 HG2 GLN 47 88.419 -3.848 -8.217 399 2HG GLN 47 HG1 GLN 47 89.071 -4.140 -9.830 400 1HE2 GLN 47 HE21 GLN 47 90.983 -3.128 -8.302 401 2HE2 GLN 47 HE22 GLN 47 91.198 -1.457 -8.511 402 H GLU 48 HN GLU 48 84.323 -3.620 -8.864 403 HA GLU 48 HA GLU 48 82.442 -3.987 -11.044 404 1HB GLU 48 HB2 GLU 48 82.190 -2.647 -8.339 405 2HB GLU 48 HB1 GLU 48 80.842 -2.849 -9.458 406 1HG GLU 48 HG2 GLU 48 81.152 -5.286 -9.420 407 2HG GLU 48 HG1 GLU 48 82.534 -5.105 -8.340 408 H GLY 49 HN GLY 49 81.145 -2.225 -11.986 409 1HA GLY 49 HA2 GLY 49 82.846 0.141 -12.518 410 2HA GLY 49 HA1 GLY 49 81.430 -0.340 -13.453 411 H THR 50 HN THR 50 80.424 -0.680 -10.372 412 HA THR 50 HA THR 50 79.504 2.165 -10.222 413 HB THR 50 HB THR 50 78.013 -0.344 -9.390 414 HG1 THR 50 HG1 THR 50 76.625 0.880 -11.119 415 1HG2 THR 50 HG21 THR 50 76.314 1.901 -9.539 416 2HG2 THR 50 HG22 THR 50 77.737 2.430 -8.641 417 3HG2 THR 50 HG23 THR 50 76.811 1.036 -8.086 418 H ILE 51 HN ILE 51 80.380 3.157 -8.475 419 HA ILE 51 HA ILE 51 80.633 1.589 -5.951 420 HB ILE 51 HB ILE 51 82.828 2.075 -7.431 421 1HG1 ILE 51 HG12 ILE 51 82.824 0.811 -5.349 422 2HG1 ILE 51 HG11 ILE 51 84.100 2.026 -5.266 423 1HG2 ILE 51 HG21 ILE 51 83.936 4.100 -6.742 424 2HG2 ILE 51 HG22 ILE 51 82.658 4.471 -5.584 425 3HG2 ILE 51 HG23 ILE 51 82.332 4.557 -7.315 426 1HD1 ILE 51 HD11 ILE 51 83.042 2.293 -3.196 427 2HD1 ILE 51 HD12 ILE 51 81.440 1.983 -3.866 428 3HD1 ILE 51 HD13 ILE 51 82.245 3.522 -4.179 429 H ASP 52 HN ASP 52 79.938 2.725 -4.175 430 HA ASP 52 HA ASP 52 78.554 5.221 -4.539 431 1HB ASP 52 HB2 ASP 52 77.946 3.572 -2.788 432 2HB ASP 52 HB1 ASP 52 79.471 3.903 -1.965 433 H ILE 53 HN ILE 53 79.331 7.285 -4.394 434 HA ILE 53 HA ILE 53 82.161 7.767 -4.149 435 HB ILE 53 HB ILE 53 79.778 9.639 -4.081 436 1HG1 ILE 53 HG12 ILE 53 81.871 9.262 -6.235 437 2HG1 ILE 53 HG11 ILE 53 80.383 8.315 -6.195 438 1HG2 ILE 53 HG21 ILE 53 81.909 11.184 -4.788 439 2HG2 ILE 53 HG22 ILE 53 82.667 10.099 -3.622 440 3HG2 ILE 53 HG23 ILE 53 81.281 11.078 -3.143 441 1HD1 ILE 53 HD11 ILE 53 79.049 10.131 -6.697 442 2HD1 ILE 53 HD12 ILE 53 80.525 10.629 -7.523 443 3HD1 ILE 53 HD13 ILE 53 80.144 11.280 -5.929 444 H LYS 54 HN LYS 54 79.425 8.104 -1.912 445 HA LYS 54 HA LYS 54 80.837 9.432 0.183 446 1HB LYS 54 HB2 LYS 54 78.503 7.496 0.319 447 2HB LYS 54 HB1 LYS 54 79.058 8.490 1.668 448 1HG LYS 54 HG2 LYS 54 78.438 9.807 -0.956 449 2HG LYS 54 HG1 LYS 54 77.111 9.356 0.115 450 1HD LYS 54 HD2 LYS 54 78.176 10.621 1.957 451 2HD LYS 54 HD1 LYS 54 79.475 11.100 0.864 452 1HE LYS 54 HE2 LYS 54 77.914 12.294 -0.560 453 2HE LYS 54 HE1 LYS 54 76.545 11.705 0.383 454 1HZ LYS 54 HZ1 LYS 54 76.914 13.185 2.007 455 2HZ LYS 54 HZ2 LYS 54 77.758 14.045 0.808 456 3HZ LYS 54 HZ3 LYS 54 78.602 13.059 1.904 457 H PHE 55 HN PHE 55 80.524 6.001 -0.651 458 HA PHE 55 HA PHE 55 81.911 5.097 1.746 459 1HB PHE 55 HB2 PHE 55 80.262 3.726 0.357 460 2HB PHE 55 HB1 PHE 55 81.555 3.551 -0.831 461 HD1 PHE 55 HD1 PHE 55 80.474 2.735 2.606 462 HD2 PHE 55 HD2 PHE 55 83.511 2.192 -0.382 463 HE1 PHE 55 HE1 PHE 55 81.455 0.888 3.939 464 HE2 PHE 55 HE2 PHE 55 84.493 0.346 0.950 465 HZ PHE 55 HZ PHE 55 83.465 -0.306 3.111 466 H TRP 56 HN TRP 56 82.847 6.192 -1.427 467 HA TRP 56 HA TRP 56 85.374 4.938 -1.683 468 1HB TRP 56 HB2 TRP 56 84.580 6.180 -3.552 469 2HB TRP 56 HB1 TRP 56 84.353 7.636 -2.583 470 HD1 TRP 56 HD1 TRP 56 87.486 5.411 -2.555 471 HE1 TRP 56 HE1 TRP 56 89.502 6.832 -3.304 472 HE3 TRP 56 HE3 TRP 56 85.092 9.744 -3.805 473 HZ2 TRP 56 HZ2 TRP 56 90.029 9.461 -4.303 474 HZ3 TRP 56 HZ3 TRP 56 86.374 11.688 -4.652 475 HH2 TRP 56 HH2 TRP 56 88.836 11.553 -4.902 476 H ARG 57 HN ARG 57 84.401 7.787 0.184 477 HA ARG 57 HA ARG 57 87.010 8.701 0.873 478 1HB ARG 57 HB2 ARG 57 84.744 8.847 2.840 479 2HB ARG 57 HB1 ARG 57 85.955 10.068 2.443 480 1HG ARG 57 HG2 ARG 57 83.659 9.177 0.674 481 2HG ARG 57 HG1 ARG 57 83.802 10.730 1.498 482 1HD ARG 57 HD2 ARG 57 85.634 9.673 -0.674 483 2HD ARG 57 HD1 ARG 57 84.477 10.994 -0.832 484 HE ARG 57 HE ARG 57 86.309 11.557 1.308 485 1HH1 ARG 57 HH21 ARG 57 86.020 11.340 -2.122 486 2HH1 ARG 57 HH22 ARG 57 87.262 12.505 -2.433 487 1HH2 ARG 57 HH11 ARG 57 87.932 13.080 0.919 488 2HH2 ARG 57 HH12 ARG 57 88.345 13.491 -0.712 489 H ARG 58 HN ARG 58 84.893 6.293 2.420 490 HA ARG 58 HA ARG 58 86.665 5.790 4.639 491 1HB ARG 58 HB2 ARG 58 84.459 4.143 3.372 492 2HB ARG 58 HB1 ARG 58 85.329 3.640 4.822 493 1HG ARG 58 HG2 ARG 58 84.624 5.669 5.991 494 2HG ARG 58 HG1 ARG 58 83.819 6.253 4.534 495 1HD ARG 58 HD2 ARG 58 82.146 5.255 5.984 496 2HD ARG 58 HD1 ARG 58 82.369 4.207 4.584 497 HE ARG 58 HE ARG 58 84.125 3.371 6.691 498 1HH1 ARG 58 HH21 ARG 58 80.816 3.497 5.731 499 2HH1 ARG 58 HH22 ARG 58 80.365 2.083 6.623 500 1HH2 ARG 58 HH11 ARG 58 83.554 1.524 7.862 501 2HH2 ARG 58 HH12 ARG 58 81.916 0.965 7.830 502 H VAL 59 HN VAL 59 86.317 4.374 1.408 503 HA VAL 59 HA VAL 59 88.104 2.174 1.797 504 HB VAL 59 HB VAL 59 87.388 3.745 -0.696 505 1HG1 VAL 59 HG11 VAL 59 89.062 1.265 -0.286 506 2HG1 VAL 59 HG12 VAL 59 89.449 2.706 -1.228 507 3HG1 VAL 59 HG13 VAL 59 88.230 1.573 -1.811 508 1HG2 VAL 59 HG21 VAL 59 86.539 0.941 -0.002 509 2HG2 VAL 59 HG22 VAL 59 85.751 2.106 -1.066 510 3HG2 VAL 59 HG23 VAL 59 85.675 2.317 0.683 511 H GLY 60 HN GLY 60 88.663 5.501 0.642 512 1HA GLY 60 HA2 GLY 60 91.442 5.198 0.088 513 2HA GLY 60 HA1 GLY 60 90.655 6.729 0.471 514 H ASP 61 HN ASP 61 89.788 6.342 3.047 515 HA ASP 61 HA ASP 61 92.199 6.704 4.561 516 1HB ASP 61 HB2 ASP 61 90.067 7.715 5.248 517 2HB ASP 61 HB1 ASP 61 89.380 6.112 5.513 518 H CYS 62 HN CYS 62 89.975 3.950 4.205 519 HA CYS 62 HA CYS 62 91.253 2.281 6.157 520 1HB CYS 62 HB2 CYS 62 89.599 1.603 3.709 521 2HB CYS 62 HB1 CYS 62 90.122 0.410 4.898 522 HG CYS 62 HG CYS 62 88.268 2.819 5.654 523 H PHE 63 HN PHE 63 91.713 2.639 2.642 524 HA PHE 63 HA PHE 63 93.684 0.564 2.405 525 1HB PHE 63 HB2 PHE 63 92.740 2.839 0.736 526 2HB PHE 63 HB1 PHE 63 94.349 2.216 0.377 527 HD1 PHE 63 HD1 PHE 63 91.455 0.302 1.723 528 HD2 PHE 63 HD2 PHE 63 93.974 1.061 -1.672 529 HE1 PHE 63 HE1 PHE 63 90.445 -1.631 0.543 530 HE2 PHE 63 HE2 PHE 63 92.963 -0.873 -2.853 531 HZ PHE 63 HZ PHE 63 91.199 -2.219 -1.745 532 H GLN 64 HN GLN 64 93.920 4.052 3.047 533 HA GLN 64 HA GLN 64 96.762 4.247 2.931 534 1HB GLN 64 HB2 GLN 64 95.242 6.210 3.027 535 2HB GLN 64 HB1 GLN 64 94.848 5.803 4.698 536 1HG GLN 64 HG2 GLN 64 97.134 6.149 5.396 537 2HG GLN 64 HG1 GLN 64 97.668 6.335 3.725 538 1HE2 GLN 64 HE21 GLN 64 98.361 8.482 5.154 539 2HE2 GLN 64 HE22 GLN 64 97.298 9.788 4.939 540 H ASP 65 HN ASP 65 94.570 3.308 5.559 541 HA ASP 65 HA ASP 65 96.541 3.225 7.631 542 1HB ASP 65 HB2 ASP 65 93.945 1.717 7.238 543 2HB ASP 65 HB1 ASP 65 94.926 1.571 8.696 544 H TYR 66 HN TYR 66 95.394 0.738 5.346 545 HA TYR 66 HA TYR 66 97.081 -1.353 6.384 546 1HB TYR 66 HB2 TYR 66 95.714 -0.950 3.713 547 2HB TYR 66 HB1 TYR 66 96.651 -2.394 4.095 548 HD1 TYR 66 HD1 TYR 66 96.069 -3.438 6.507 549 HD2 TYR 66 HD2 TYR 66 93.425 -1.023 4.136 550 HE1 TYR 66 HE1 TYR 66 94.120 -4.387 7.714 551 HE2 TYR 66 HE2 TYR 66 91.476 -1.972 5.341 552 HH TYR 66 HH TYR 66 90.823 -3.223 7.080 553 H TYR 67 HN TYR 67 97.555 1.214 4.022 554 HA TYR 67 HA TYR 67 99.896 0.211 2.753 555 1HB TYR 67 HB2 TYR 67 98.950 2.120 1.747 556 2HB TYR 67 HB1 TYR 67 98.848 2.988 3.279 557 HD1 TYR 67 HD1 TYR 67 101.420 1.381 1.066 558 HD2 TYR 67 HD2 TYR 67 100.465 4.600 3.744 559 HE1 TYR 67 HE1 TYR 67 103.645 2.391 0.643 560 HE2 TYR 67 HE2 TYR 67 102.691 5.610 3.323 561 HH TYR 67 HH TYR 67 104.442 5.318 1.062 562 H ASN 68 HN ASN 68 99.649 2.478 5.523 563 HA ASN 68 HA ASN 68 102.481 2.427 6.050 564 1HB ASN 68 HB2 ASN 68 100.693 4.155 6.820 565 2HB ASN 68 HB1 ASN 68 100.400 3.029 8.145 566 1HD2 ASN 68 HD21 ASN 68 101.323 4.515 9.738 567 2HD2 ASN 68 HD22 ASN 68 102.994 4.799 9.810 568 H THR 69 HN THR 69 99.739 0.523 7.204 569 HA THR 69 HA THR 69 101.098 -0.751 9.385 570 HB THR 69 HB THR 69 98.881 -1.959 7.712 571 HG1 THR 69 HG1 THR 69 98.720 -0.155 9.894 572 1HG2 THR 69 HG21 THR 69 98.772 -3.517 9.332 573 2HG2 THR 69 HG22 THR 69 98.780 -2.288 10.596 574 3HG2 THR 69 HG23 THR 69 100.303 -2.885 9.937 575 H PHE 70 HN PHE 70 100.579 -1.759 5.994 576 HA PHE 70 HA PHE 70 102.665 -3.859 6.425 577 1HB PHE 70 HB2 PHE 70 100.336 -3.697 4.498 578 2HB PHE 70 HB1 PHE 70 101.638 -4.872 4.317 579 HD1 PHE 70 HD1 PHE 70 98.693 -3.901 6.256 580 HD2 PHE 70 HD2 PHE 70 102.025 -6.605 6.051 581 HE1 PHE 70 HE1 PHE 70 97.607 -5.367 7.935 582 HE2 PHE 70 HE2 PHE 70 100.938 -8.070 7.730 583 HZ PHE 70 HZ PHE 70 98.730 -7.452 8.672 584 H GLY 71 HN GLY 71 101.418 -1.613 3.931 585 1HA GLY 71 HA2 GLY 71 103.444 -0.121 3.137 586 2HA GLY 71 HA1 GLY 71 104.091 -1.684 2.631 587 HA PRO 72 HA PRO 72 101.520 0.021 -0.842 588 1HB PRO 72 HB2 PRO 72 103.447 -0.435 -2.776 589 2HB PRO 72 HB1 PRO 72 103.249 1.089 -1.897 590 1HG PRO 72 HG2 PRO 72 105.280 -1.017 -1.579 591 2HG PRO 72 HG1 PRO 72 105.366 0.710 -1.197 592 1HD PRO 72 HD2 PRO 72 105.037 -1.361 0.642 593 2HD PRO 72 HD1 PRO 72 104.736 0.363 0.960 594 H GLU 73 HN GLU 73 103.099 -2.954 -0.146 595 HA GLU 73 HA GLU 73 102.389 -4.479 -2.455 596 1HB GLU 73 HB2 GLU 73 102.718 -5.320 0.440 597 2HB GLU 73 HB1 GLU 73 102.556 -6.447 -0.906 598 1HG GLU 73 HG2 GLU 73 104.569 -5.491 -1.960 599 2HG GLU 73 HG1 GLU 73 104.733 -4.355 -0.621 600 H LYS 74 HN LYS 74 100.681 -4.046 0.659 601 HA LYS 74 HA LYS 74 98.367 -5.559 -0.134 602 1HB LYS 74 HB2 LYS 74 98.691 -3.382 1.956 603 2HB LYS 74 HB1 LYS 74 97.268 -4.413 1.796 604 1HG LYS 74 HG2 LYS 74 100.076 -5.470 2.215 605 2HG LYS 74 HG1 LYS 74 98.914 -5.221 3.518 606 1HD LYS 74 HD2 LYS 74 97.334 -6.663 1.967 607 2HD LYS 74 HD1 LYS 74 98.862 -7.232 1.294 608 1HE LYS 74 HE2 LYS 74 99.625 -7.915 3.515 609 2HE LYS 74 HE1 LYS 74 98.155 -7.267 4.244 610 1HZ LYS 74 HZ1 LYS 74 97.388 -9.333 3.962 611 2HZ LYS 74 HZ2 LYS 74 98.570 -9.738 2.810 612 3HZ LYS 74 HZ3 LYS 74 97.176 -8.888 2.340 613 H VAL 75 HN VAL 75 99.109 -2.074 -0.177 614 HA VAL 75 HA VAL 75 97.083 -1.736 -2.307 615 HB VAL 75 HB VAL 75 96.046 0.188 -1.132 616 1HG1 VAL 75 HG11 VAL 75 94.679 -1.111 0.347 617 2HG1 VAL 75 HG12 VAL 75 95.975 -2.275 0.626 618 3HG1 VAL 75 HG13 VAL 75 95.179 -2.201 -0.946 619 1HG2 VAL 75 HG21 VAL 75 98.282 -0.295 0.658 620 2HG2 VAL 75 HG22 VAL 75 96.757 -0.307 1.544 621 3HG2 VAL 75 HG23 VAL 75 97.205 1.099 0.578 622 HA PRO 76 HA PRO 76 100.830 0.805 -3.011 623 1HB PRO 76 HB2 PRO 76 101.109 0.130 -5.646 624 2HB PRO 76 HB1 PRO 76 101.757 -0.848 -4.316 625 1HG PRO 76 HG2 PRO 76 99.395 -1.312 -6.015 626 2HG PRO 76 HG1 PRO 76 100.429 -2.473 -5.167 627 1HD PRO 76 HD2 PRO 76 97.885 -1.604 -4.394 628 2HD PRO 76 HD1 PRO 76 99.024 -2.550 -3.411 629 H VAL 77 HN VAL 77 101.205 2.310 -5.137 630 HA VAL 77 HA VAL 77 99.116 4.254 -5.088 631 HB VAL 77 HB VAL 77 101.314 3.852 -7.143 632 1HG1 VAL 77 HG11 VAL 77 99.467 6.173 -6.535 633 2HG1 VAL 77 HG12 VAL 77 99.640 5.312 -8.064 634 3HG1 VAL 77 HG13 VAL 77 100.947 6.341 -7.479 635 1HG2 VAL 77 HG21 VAL 77 101.148 5.489 -4.594 636 2HG2 VAL 77 HG22 VAL 77 102.433 5.655 -5.791 637 3HG2 VAL 77 HG23 VAL 77 102.236 4.138 -4.913 638 H THR 78 HN THR 78 99.497 1.355 -6.921 639 HA THR 78 HA THR 78 98.025 2.005 -9.266 640 HB THR 78 HB THR 78 97.776 -0.350 -9.588 641 HG1 THR 78 HG1 THR 78 97.998 -0.422 -6.777 642 1HG2 THR 78 HG21 THR 78 100.142 0.582 -9.471 643 2HG2 THR 78 HG22 THR 78 99.998 -1.160 -9.236 644 3HG2 THR 78 HG23 THR 78 100.235 -0.100 -7.847 645 H ALA 79 HN ALA 79 96.972 1.144 -6.010 646 HA ALA 79 HA ALA 79 94.247 0.599 -6.517 647 1HB ALA 79 HB1 ALA 79 95.778 0.788 -4.263 648 2HB ALA 79 HB2 ALA 79 94.018 0.664 -4.247 649 3HB ALA 79 HB3 ALA 79 94.792 2.244 -4.119 650 H PHE 80 HN PHE 80 95.797 3.745 -5.810 651 HA PHE 80 HA PHE 80 93.425 5.310 -6.065 652 1HB PHE 80 HB2 PHE 80 96.345 5.986 -6.502 653 2HB PHE 80 HB1 PHE 80 95.059 7.192 -6.568 654 HD1 PHE 80 HD1 PHE 80 97.017 4.972 -4.407 655 HD2 PHE 80 HD2 PHE 80 93.730 7.734 -4.557 656 HE1 PHE 80 HE1 PHE 80 97.041 5.135 -1.933 657 HE2 PHE 80 HE2 PHE 80 93.754 7.898 -2.083 658 HZ PHE 80 HZ PHE 80 95.409 6.597 -0.770 659 H SER 81 HN SER 81 95.851 4.300 -8.463 660 HA SER 81 HA SER 81 94.860 5.802 -10.662 661 1HB SER 81 HB2 SER 81 96.978 4.701 -10.897 662 2HB SER 81 HB1 SER 81 96.275 3.129 -10.520 663 HG SER 81 HG SER 81 95.230 4.586 -12.666 664 H TYR 82 HN TYR 82 94.012 2.514 -9.552 665 HA TYR 82 HA TYR 82 92.088 2.011 -11.613 666 1HB TYR 82 HB2 TYR 82 92.472 0.897 -8.830 667 2HB TYR 82 HB1 TYR 82 91.157 0.358 -9.874 668 HD1 TYR 82 HD1 TYR 82 91.948 -0.174 -12.397 669 HD2 TYR 82 HD2 TYR 82 94.456 -0.309 -8.913 670 HE1 TYR 82 HE1 TYR 82 93.511 -1.691 -13.582 671 HE2 TYR 82 HE2 TYR 82 96.019 -1.826 -10.097 672 HH TYR 82 HH TYR 82 96.353 -3.054 -11.927 673 H TRP 83 HN TRP 83 91.753 3.363 -8.330 674 HA TRP 83 HA TRP 83 88.904 3.657 -8.424 675 1HB TRP 83 HB2 TRP 83 90.701 3.961 -6.459 676 2HB TRP 83 HB1 TRP 83 90.542 5.654 -6.926 677 HD1 TRP 83 HD1 TRP 83 88.220 6.841 -6.532 678 HE1 TRP 83 HE1 TRP 83 86.158 6.210 -5.120 679 HE3 TRP 83 HE3 TRP 83 89.263 1.930 -5.593 680 HZ2 TRP 83 HZ2 TRP 83 85.092 3.925 -3.770 681 HZ3 TRP 83 HZ3 TRP 83 87.708 0.551 -4.244 682 HH2 TRP 83 HH2 TRP 83 85.626 1.541 -3.331 683 H ASN 84 HN ASN 84 91.566 5.729 -9.488 684 HA ASN 84 HA ASN 84 90.131 8.111 -9.981 685 1HB ASN 84 HB2 ASN 84 92.491 6.854 -11.394 686 2HB ASN 84 HB1 ASN 84 91.853 8.432 -11.858 687 1HD2 ASN 84 HD21 ASN 84 94.485 8.224 -10.807 688 2HD2 ASN 84 HD22 ASN 84 94.523 8.943 -9.270 689 H LEU 85 HN LEU 85 90.553 5.245 -12.055 690 HA LEU 85 HA LEU 85 89.038 6.260 -14.270 691 1HB LEU 85 HB2 LEU 85 89.583 3.423 -13.350 692 2HB LEU 85 HB1 LEU 85 88.809 3.829 -14.883 693 HG LEU 85 HG LEU 85 91.541 4.831 -14.033 694 1HD1 LEU 85 HD11 LEU 85 90.653 2.466 -15.678 695 2HD1 LEU 85 HD12 LEU 85 91.871 2.529 -14.404 696 3HD1 LEU 85 HD13 LEU 85 92.209 3.239 -15.984 697 1HD2 LEU 85 HD21 LEU 85 90.977 6.348 -15.648 698 2HD2 LEU 85 HD22 LEU 85 89.711 5.318 -16.315 699 3HD2 LEU 85 HD23 LEU 85 91.397 5.033 -16.745 700 H ILE 86 HN ILE 86 88.118 4.367 -11.400 701 HA ILE 86 HA ILE 86 85.376 3.989 -12.138 702 HB ILE 86 HB ILE 86 86.756 4.106 -9.445 703 1HG1 ILE 86 HG12 ILE 86 87.033 2.216 -11.291 704 2HG1 ILE 86 HG11 ILE 86 86.860 1.789 -9.588 705 1HG2 ILE 86 HG21 ILE 86 84.515 4.687 -8.937 706 2HG2 ILE 86 HG22 ILE 86 84.574 2.940 -8.703 707 3HG2 ILE 86 HG23 ILE 86 83.868 3.611 -10.174 708 1HD1 ILE 86 HD11 ILE 86 85.347 0.575 -11.327 709 2HD1 ILE 86 HD12 ILE 86 84.429 2.080 -11.340 710 3HD1 ILE 86 HD13 ILE 86 84.608 1.169 -9.840 711 H LYS 87 HN LYS 87 87.023 6.554 -10.299 712 HA LYS 87 HA LYS 87 84.758 8.024 -9.486 713 1HB LYS 87 HB2 LYS 87 87.112 8.523 -8.809 714 2HB LYS 87 HB1 LYS 87 87.406 9.169 -10.423 715 1HG LYS 87 HG2 LYS 87 85.639 10.847 -10.091 716 2HG LYS 87 HG1 LYS 87 85.307 10.191 -8.487 717 1HD LYS 87 HD2 LYS 87 87.620 10.724 -7.793 718 2HD LYS 87 HD1 LYS 87 87.935 11.406 -9.390 719 1HE LYS 87 HE2 LYS 87 86.195 13.092 -9.047 720 2HE LYS 87 HE1 LYS 87 85.787 12.384 -7.485 721 1HZ LYS 87 HZ1 LYS 87 87.212 14.202 -7.067 722 2HZ LYS 87 HZ2 LYS 87 88.317 13.718 -8.263 723 3HZ LYS 87 HZ3 LYS 87 88.150 12.808 -6.838 724 H GLU 88 HN GLU 88 86.511 8.100 -12.583 725 HA GLU 88 HA GLU 88 84.892 10.217 -13.709 726 1HB GLU 88 HB2 GLU 88 86.627 8.091 -15.001 727 2HB GLU 88 HB1 GLU 88 85.857 9.405 -15.891 728 1HG GLU 88 HG2 GLU 88 87.056 11.061 -14.543 729 2HG GLU 88 HG1 GLU 88 87.784 9.776 -13.579 730 H LEU 89 HN LEU 89 84.723 6.673 -13.756 731 HA LEU 89 HA LEU 89 82.622 6.458 -15.685 732 1HB LEU 89 HB2 LEU 89 83.946 4.511 -15.003 733 2HB LEU 89 HB1 LEU 89 83.321 4.640 -13.359 734 HG LEU 89 HG LEU 89 81.046 4.220 -14.159 735 1HD1 LEU 89 HD11 LEU 89 81.023 3.388 -16.678 736 2HD1 LEU 89 HD12 LEU 89 82.407 4.472 -16.815 737 3HD1 LEU 89 HD13 LEU 89 80.843 5.100 -16.295 738 1HD2 LEU 89 HD21 LEU 89 83.017 2.217 -15.310 739 2HD2 LEU 89 HD22 LEU 89 81.338 1.889 -14.877 740 3HD2 LEU 89 HD23 LEU 89 82.513 2.284 -13.621 741 H ILE 90 HN ILE 90 82.511 6.534 -12.111 742 HA ILE 90 HA ILE 90 79.625 6.500 -12.010 743 HB ILE 90 HB ILE 90 79.905 7.037 -9.642 744 1HG1 ILE 90 HG12 ILE 90 82.728 7.713 -10.510 745 2HG1 ILE 90 HG11 ILE 90 81.561 8.774 -9.718 746 1HG2 ILE 90 HG21 ILE 90 82.284 5.308 -10.112 747 2HG2 ILE 90 HG22 ILE 90 80.761 4.777 -10.827 748 3HG2 ILE 90 HG23 ILE 90 80.876 5.031 -9.085 749 1HD1 ILE 90 HD11 ILE 90 82.954 8.125 -7.941 750 2HD1 ILE 90 HD12 ILE 90 83.116 6.477 -8.547 751 3HD1 ILE 90 HD13 ILE 90 81.604 6.999 -7.807 752 H ASP 91 HN ASP 91 82.065 9.084 -11.887 753 HA ASP 91 HA ASP 91 80.293 11.240 -11.337 754 1HB ASP 91 HB2 ASP 91 82.961 11.029 -12.716 755 2HB ASP 91 HB1 ASP 91 82.097 12.568 -12.691 756 H LYS 92 HN LYS 92 81.398 9.911 -14.465 757 HA LYS 92 HA LYS 92 79.875 11.710 -16.090 758 1HB LYS 92 HB2 LYS 92 80.945 8.922 -16.587 759 2HB LYS 92 HB1 LYS 92 80.113 9.859 -17.829 760 1HG LYS 92 HG2 LYS 92 81.766 11.674 -17.573 761 2HG LYS 92 HG1 LYS 92 82.603 10.734 -16.335 762 1HD LYS 92 HD2 LYS 92 82.982 8.925 -17.996 763 2HD LYS 92 HD1 LYS 92 82.210 9.920 -19.231 764 1HE LYS 92 HE2 LYS 92 83.918 11.663 -18.913 765 2HE LYS 92 HE1 LYS 92 84.683 10.693 -17.654 766 1HZ LYS 92 HZ1 LYS 92 85.733 10.470 -19.866 767 2HZ LYS 92 HZ2 LYS 92 84.294 9.783 -20.452 768 3HZ LYS 92 HZ3 LYS 92 85.180 8.996 -19.234 769 H LYS 93 HN LYS 93 79.117 8.501 -14.744 770 HA LYS 93 HA LYS 93 76.472 8.444 -15.973 771 1HB LYS 93 HB2 LYS 93 77.747 6.374 -15.387 772 2HB LYS 93 HB1 LYS 93 77.556 6.777 -13.681 773 1HG LYS 93 HG2 LYS 93 75.108 6.706 -13.926 774 2HG LYS 93 HG1 LYS 93 75.285 6.324 -15.639 775 1HD LYS 93 HD2 LYS 93 76.482 4.249 -15.061 776 2HD LYS 93 HD1 LYS 93 76.319 4.629 -13.346 777 1HE LYS 93 HE2 LYS 93 73.861 4.577 -13.565 778 2HE LYS 93 HE1 LYS 93 74.023 4.193 -15.280 779 1HZ LYS 93 HZ1 LYS 93 74.715 2.091 -14.843 780 2HZ LYS 93 HZ2 LYS 93 73.756 2.328 -13.461 781 3HZ LYS 93 HZ3 LYS 93 75.443 2.500 -13.367 782 H GLU 94 HN GLU 94 74.547 9.096 -15.052 783 HA GLU 94 HA GLU 94 74.676 10.886 -12.764 784 1HB GLU 94 HB2 GLU 94 72.341 9.783 -14.352 785 2HB GLU 94 HB1 GLU 94 72.183 10.992 -13.078 786 1HG GLU 94 HG2 GLU 94 73.956 11.329 -15.512 787 2HG GLU 94 HG1 GLU 94 72.319 11.975 -15.389 788 H VAL 95 HN VAL 95 74.418 10.324 -10.654 789 HA VAL 95 HA VAL 95 73.037 7.746 -10.046 790 HB VAL 95 HB VAL 95 75.484 7.432 -9.861 791 1HG1 VAL 95 HG11 VAL 95 76.802 9.058 -9.031 792 2HG1 VAL 95 HG12 VAL 95 75.920 9.038 -7.504 793 3HG1 VAL 95 HG13 VAL 95 75.369 10.066 -8.826 794 1HG2 VAL 95 HG21 VAL 95 75.306 6.220 -7.916 795 2HG2 VAL 95 HG22 VAL 95 73.603 6.644 -8.088 796 3HG2 VAL 95 HG23 VAL 95 74.639 7.579 -7.010 797 H ASN 96 HN ASN 96 72.161 7.686 -7.816 798 HA ASN 96 HA ASN 96 71.615 10.439 -6.774 799 1HB ASN 96 HB2 ASN 96 69.473 9.250 -5.862 800 2HB ASN 96 HB1 ASN 96 69.527 9.715 -7.563 801 1HD2 ASN 96 HD21 ASN 96 69.967 6.920 -5.367 802 2HD2 ASN 96 HD22 ASN 96 69.690 5.741 -6.557 803 HA PRO 97 HA PRO 97 73.617 8.022 -3.403 804 1HB PRO 97 HB2 PRO 97 75.488 9.882 -2.738 805 2HB PRO 97 HB1 PRO 97 75.715 8.724 -4.062 806 1HG PRO 97 HG2 PRO 97 75.050 11.601 -4.165 807 2HG PRO 97 HG1 PRO 97 75.962 10.606 -5.311 808 1HD PRO 97 HD2 PRO 97 73.275 11.417 -5.603 809 2HD PRO 97 HD1 PRO 97 74.090 10.152 -6.548 810 H GLN 98 HN GLN 98 71.268 8.858 -2.666 811 HA GLN 98 HA GLN 98 69.994 9.902 -0.993 812 1HB GLN 98 HB2 GLN 98 72.732 10.014 0.310 813 2HB GLN 98 HB1 GLN 98 71.207 10.312 1.145 814 1HG GLN 98 HG2 GLN 98 70.445 8.027 0.488 815 2HG GLN 98 HG1 GLN 98 72.032 7.735 -0.222 816 1HE2 GLN 98 HE21 GLN 98 71.793 5.932 1.612 817 2HE2 GLN 98 HE22 GLN 98 72.445 6.353 3.122 818 H VAL 99 HN VAL 99 72.974 11.742 -0.401 819 HA VAL 99 HA VAL 99 71.441 14.230 -0.903 820 HB VAL 99 HB VAL 99 74.156 13.704 0.334 821 1HG1 VAL 99 HG11 VAL 99 74.594 15.807 -0.459 822 2HG1 VAL 99 HG12 VAL 99 73.617 16.292 0.926 823 3HG1 VAL 99 HG13 VAL 99 72.887 16.191 -0.676 824 1HG2 VAL 99 HG21 VAL 99 72.145 13.158 1.700 825 2HG2 VAL 99 HG22 VAL 99 71.572 14.812 1.479 826 3HG2 VAL 99 HG23 VAL 99 73.059 14.507 2.375 827 H MET 100 HN MET 100 71.742 15.417 -2.736 828 HA MET 100 HA MET 100 73.121 14.486 -4.990 829 1HB MET 100 HB2 MET 100 72.462 17.329 -4.168 830 2HB MET 100 HB1 MET 100 73.064 16.890 -5.768 831 1HG MET 100 HG2 MET 100 71.138 15.336 -6.037 832 2HG MET 100 HG1 MET 100 70.519 15.867 -4.473 833 1HE MET 100 HE1 MET 100 69.216 19.175 -4.712 834 2HE MET 100 HE2 MET 100 70.970 19.281 -4.585 835 3HE MET 100 HE3 MET 100 70.113 17.971 -3.778 Start of MODEL 11 1 1H MET 1 HT1 MET 1 70.678 -3.616 -0.458 2 2H MET 1 HT2 MET 1 72.310 -3.886 -0.068 3 3H MET 1 HT3 MET 1 71.215 -3.398 1.136 4 HA MET 1 HA MET 1 71.930 -5.904 0.857 5 1HB MET 1 HB2 MET 1 69.160 -4.844 1.486 6 2HB MET 1 HB1 MET 1 69.685 -6.489 1.842 7 1HG MET 1 HG2 MET 1 71.503 -5.621 3.252 8 2HG MET 1 HG1 MET 1 71.017 -3.967 2.876 9 1HE MET 1 HE1 MET 1 68.467 -7.119 3.724 10 2HE MET 1 HE2 MET 1 68.986 -7.131 5.408 11 3HE MET 1 HE3 MET 1 70.179 -7.304 4.125 12 H GLY 2 HN GLY 2 68.755 -6.528 0.278 13 1HA GLY 2 HA2 GLY 2 67.538 -7.266 -1.620 14 2HA GLY 2 HA1 GLY 2 68.851 -6.684 -2.647 15 H GLN 3 HN GLN 3 70.228 -8.493 -0.226 16 HA GLN 3 HA GLN 3 70.008 -11.024 -1.803 17 1HB GLN 3 HB2 GLN 3 72.486 -9.665 -0.724 18 2HB GLN 3 HB1 GLN 3 72.462 -11.375 -1.157 19 1HG GLN 3 HG2 GLN 3 71.807 -10.830 -3.443 20 2HG GLN 3 HG1 GLN 3 71.698 -9.118 -3.032 21 1HE2 GLN 3 HE21 GLN 3 73.435 -9.599 -5.059 22 2HE2 GLN 3 HE22 GLN 3 75.048 -9.546 -4.534 23 H GLU 4 HN GLU 4 70.549 -12.966 -0.491 24 HA GLU 4 HA GLU 4 69.221 -12.957 2.038 25 1HB GLU 4 HB2 GLU 4 71.148 -14.945 0.802 26 2HB GLU 4 HB1 GLU 4 70.257 -15.244 2.295 27 1HG GLU 4 HG2 GLU 4 68.129 -14.966 1.119 28 2HG GLU 4 HG1 GLU 4 68.983 -14.573 -0.374 29 H LEU 5 HN LEU 5 70.068 -12.995 4.159 30 HA LEU 5 HA LEU 5 72.745 -11.763 4.422 31 1HB LEU 5 HB2 LEU 5 70.476 -12.235 6.370 32 2HB LEU 5 HB1 LEU 5 72.045 -11.604 6.869 33 HG LEU 5 HG LEU 5 70.329 -10.351 4.707 34 1HD1 LEU 5 HD11 LEU 5 70.284 -10.128 7.648 35 2HD1 LEU 5 HD12 LEU 5 69.054 -9.678 6.467 36 3HD1 LEU 5 HD13 LEU 5 70.394 -8.582 6.806 37 1HD2 LEU 5 HD21 LEU 5 72.016 -8.431 5.681 38 2HD2 LEU 5 HD22 LEU 5 72.365 -9.419 4.263 39 3HD2 LEU 5 HD23 LEU 5 73.023 -9.871 5.836 40 H SER 6 HN SER 6 74.289 -13.369 4.240 41 HA SER 6 HA SER 6 73.908 -15.969 5.548 42 1HB SER 6 HB2 SER 6 76.295 -16.331 4.731 43 2HB SER 6 HB1 SER 6 75.100 -16.024 3.474 44 HG SER 6 HG SER 6 75.780 -13.709 3.868 45 H GLN 7 HN GLN 7 75.796 -16.761 6.986 46 HA GLN 7 HA GLN 7 75.902 -15.253 9.362 47 1HB GLN 7 HB2 GLN 7 77.854 -17.317 8.302 48 2HB GLN 7 HB1 GLN 7 77.870 -16.700 9.953 49 1HG GLN 7 HG2 GLN 7 75.550 -17.490 10.271 50 2HG GLN 7 HG1 GLN 7 75.543 -18.120 8.623 51 1HE2 GLN 7 HE21 GLN 7 75.131 -20.255 9.861 52 2HE2 GLN 7 HE22 GLN 7 76.492 -21.115 10.401 53 H HIS 8 HN HIS 8 78.240 -15.370 6.675 54 HA HIS 8 HA HIS 8 80.160 -13.613 7.878 55 1HB HIS 8 HB2 HIS 8 80.678 -15.030 5.919 56 2HB HIS 8 HB1 HIS 8 79.564 -14.077 4.938 57 HD2 HIS 8 HD2 HIS 8 80.636 -11.687 3.954 58 HE1 HIS 8 HE1 HIS 8 84.292 -11.833 6.063 59 HE2 HIS 8 HE2 HIS 8 82.981 -10.592 4.282 60 H GLU 9 HN GLU 9 77.404 -13.000 5.697 61 HA GLU 9 HA GLU 9 77.869 -10.166 5.500 62 1HB GLU 9 HB2 GLU 9 75.361 -11.824 5.113 63 2HB GLU 9 HB1 GLU 9 75.470 -10.103 4.738 64 1HG GLU 9 HG2 GLU 9 77.305 -10.556 3.157 65 2HG GLU 9 HG1 GLU 9 77.208 -12.277 3.533 66 H ARG 10 HN ARG 10 76.060 -12.191 7.758 67 HA ARG 10 HA ARG 10 74.696 -10.038 9.095 68 1HB ARG 10 HB2 ARG 10 75.432 -12.851 9.936 69 2HB ARG 10 HB1 ARG 10 74.535 -11.754 10.986 70 1HG ARG 10 HG2 ARG 10 72.798 -11.503 9.254 71 2HG ARG 10 HG1 ARG 10 73.695 -12.591 8.194 72 1HD ARG 10 HD2 ARG 10 73.432 -14.424 9.772 73 2HD ARG 10 HD1 ARG 10 72.669 -13.350 10.945 74 HE ARG 10 HE ARG 10 71.253 -13.379 8.408 75 1HH1 ARG 10 HH21 ARG 10 71.808 -14.993 11.403 76 2HH1 ARG 10 HH22 ARG 10 70.259 -15.769 11.424 77 1HH2 ARG 10 HH11 ARG 10 69.228 -14.382 8.418 78 2HH2 ARG 10 HH12 ARG 10 68.798 -15.424 9.734 79 H TYR 11 HN TYR 11 77.837 -11.612 9.591 80 HA TYR 11 HA TYR 11 78.458 -10.387 12.094 81 1HB TYR 11 HB2 TYR 11 79.765 -12.266 11.186 82 2HB TYR 11 HB1 TYR 11 80.325 -11.246 9.861 83 HD1 TYR 11 HD1 TYR 11 80.274 -11.479 13.592 84 HD2 TYR 11 HD2 TYR 11 82.236 -9.892 10.117 85 HE1 TYR 11 HE1 TYR 11 82.118 -10.634 15.019 86 HE2 TYR 11 HE2 TYR 11 84.080 -9.046 11.543 87 HH TYR 11 HH TYR 11 84.976 -9.932 14.102 88 H VAL 12 HN VAL 12 79.344 -9.397 8.764 89 HA VAL 12 HA VAL 12 80.569 -6.928 9.612 90 HB VAL 12 HB VAL 12 80.400 -6.304 7.204 91 1HG1 VAL 12 HG11 VAL 12 81.323 -9.110 7.875 92 2HG1 VAL 12 HG12 VAL 12 82.296 -7.640 7.854 93 3HG1 VAL 12 HG13 VAL 12 81.683 -8.312 6.344 94 1HG2 VAL 12 HG21 VAL 12 78.812 -8.887 7.077 95 2HG2 VAL 12 HG22 VAL 12 79.438 -8.042 5.661 96 3HG2 VAL 12 HG23 VAL 12 78.227 -7.270 6.685 97 H GLU 13 HN GLU 13 77.290 -7.852 8.698 98 HA GLU 13 HA GLU 13 76.172 -5.265 8.379 99 1HB GLU 13 HB2 GLU 13 74.979 -7.403 7.881 100 2HB GLU 13 HB1 GLU 13 74.837 -7.693 9.614 101 1HG GLU 13 HG2 GLU 13 73.585 -5.580 9.868 102 2HG GLU 13 HG1 GLU 13 73.719 -5.295 8.133 103 H GLN 14 HN GLN 14 76.659 -7.219 11.324 104 HA GLN 14 HA GLN 14 75.434 -5.356 13.124 105 1HB GLN 14 HB2 GLN 14 76.023 -7.707 13.728 106 2HB GLN 14 HB1 GLN 14 77.729 -7.263 13.678 107 1HG GLN 14 HG2 GLN 14 76.984 -7.151 15.984 108 2HG GLN 14 HG1 GLN 14 77.259 -5.506 15.411 109 1HE2 GLN 14 HE21 GLN 14 75.676 -4.435 16.713 110 2HE2 GLN 14 HE22 GLN 14 74.012 -4.744 16.585 111 H LEU 15 HN LEU 15 78.753 -5.685 11.898 112 HA LEU 15 HA LEU 15 79.955 -3.683 13.516 113 1HB LEU 15 HB2 LEU 15 81.292 -5.172 12.101 114 2HB LEU 15 HB1 LEU 15 80.573 -4.472 10.650 115 HG LEU 15 HG LEU 15 81.525 -2.275 11.226 116 1HD1 LEU 15 HD11 LEU 15 83.361 -2.482 13.123 117 2HD1 LEU 15 HD12 LEU 15 82.314 -3.781 13.695 118 3HD1 LEU 15 HD13 LEU 15 81.682 -2.142 13.541 119 1HD2 LEU 15 HD21 LEU 15 82.889 -3.717 9.829 120 2HD2 LEU 15 HD22 LEU 15 83.488 -4.588 11.241 121 3HD2 LEU 15 HD23 LEU 15 83.950 -2.906 10.980 122 H LYS 16 HN LYS 16 78.180 -3.460 10.451 123 HA LYS 16 HA LYS 16 78.618 -0.684 9.971 124 1HB LYS 16 HB2 LYS 16 77.644 -2.260 8.305 125 2HB LYS 16 HB1 LYS 16 76.168 -2.332 9.270 126 1HG LYS 16 HG2 LYS 16 75.876 0.106 9.008 127 2HG LYS 16 HG1 LYS 16 77.344 0.176 8.032 128 1HD LYS 16 HD2 LYS 16 76.323 -1.361 6.388 129 2HD LYS 16 HD1 LYS 16 74.849 -1.411 7.357 130 1HE LYS 16 HE2 LYS 16 74.584 1.030 7.078 131 2HE LYS 16 HE1 LYS 16 76.048 1.073 6.095 132 1HZ LYS 16 HZ1 LYS 16 74.559 -0.888 4.950 133 2HZ LYS 16 HZ2 LYS 16 74.698 0.707 4.383 134 3HZ LYS 16 HZ3 LYS 16 73.392 0.266 5.378 135 H GLN 17 HN GLN 17 76.050 -2.372 11.783 136 HA GLN 17 HA GLN 17 74.464 -0.119 12.416 137 1HB GLN 17 HB2 GLN 17 75.061 -2.573 14.097 138 2HB GLN 17 HB1 GLN 17 73.765 -1.423 14.429 139 1HG GLN 17 HG2 GLN 17 74.055 -2.963 11.833 140 2HG GLN 17 HG1 GLN 17 72.987 -3.435 13.156 141 1HE2 GLN 17 HE21 GLN 17 72.752 -2.043 10.235 142 2HE2 GLN 17 HE22 GLN 17 71.523 -0.905 10.517 143 H ALA 18 HN ALA 18 77.312 -1.441 14.105 144 HA ALA 18 HA ALA 18 77.324 0.485 16.224 145 1HB ALA 18 HB1 ALA 18 79.569 -1.124 14.975 146 2HB ALA 18 HB2 ALA 18 78.648 -1.535 16.422 147 3HB ALA 18 HB3 ALA 18 79.750 -0.157 16.439 148 H LEU 19 HN LEU 19 78.854 0.450 13.012 149 HA LEU 19 HA LEU 19 80.295 2.908 13.344 150 1HB LEU 19 HB2 LEU 19 79.229 1.546 10.854 151 2HB LEU 19 HB1 LEU 19 80.314 2.935 10.831 152 HG LEU 19 HG LEU 19 80.932 0.303 12.205 153 1HD1 LEU 19 HD11 LEU 19 80.919 -0.094 9.832 154 2HD1 LEU 19 HD12 LEU 19 82.605 0.096 10.309 155 3HD1 LEU 19 HD13 LEU 19 81.759 1.424 9.515 156 1HD2 LEU 19 HD21 LEU 19 82.262 2.957 11.989 157 2HD2 LEU 19 HD22 LEU 19 83.303 1.543 11.824 158 3HD2 LEU 19 HD23 LEU 19 82.338 1.763 13.285 159 H LYS 20 HN LYS 20 77.012 2.167 12.234 160 HA LYS 20 HA LYS 20 76.323 4.767 11.302 161 1HB LYS 20 HB2 LYS 20 74.933 2.725 10.949 162 2HB LYS 20 HB1 LYS 20 74.510 2.749 12.662 163 1HG LYS 20 HG2 LYS 20 73.494 4.966 12.405 164 2HG LYS 20 HG1 LYS 20 73.962 5.001 10.705 165 1HD LYS 20 HD2 LYS 20 72.571 2.994 10.289 166 2HD LYS 20 HD1 LYS 20 72.080 2.995 11.984 167 1HE LYS 20 HE2 LYS 20 71.585 5.237 10.002 168 2HE LYS 20 HE1 LYS 20 70.375 4.093 10.584 169 1HZ LYS 20 HZ1 LYS 20 70.563 4.930 12.767 170 2HZ LYS 20 HZ2 LYS 20 70.436 6.289 11.754 171 3HZ LYS 20 HZ3 LYS 20 71.945 5.837 12.391 172 H THR 21 HN THR 21 76.144 3.318 14.545 173 HA THR 21 HA THR 21 74.893 5.542 15.834 174 HB THR 21 HB THR 21 75.716 4.562 17.914 175 HG1 THR 21 HG1 THR 21 77.069 2.499 17.211 176 1HG2 THR 21 HG21 THR 21 74.224 2.895 17.689 177 2HG2 THR 21 HG22 THR 21 75.313 2.006 16.623 178 3HG2 THR 21 HG23 THR 21 74.212 3.210 15.954 179 H ARG 22 HN ARG 22 78.239 4.871 14.960 180 HA ARG 22 HA ARG 22 79.364 7.042 16.518 181 1HB ARG 22 HB2 ARG 22 80.395 5.455 14.153 182 2HB ARG 22 HB1 ARG 22 81.345 6.702 14.961 183 1HG ARG 22 HG2 ARG 22 81.095 5.488 17.107 184 2HG ARG 22 HG1 ARG 22 80.186 4.226 16.274 185 1HD ARG 22 HD2 ARG 22 82.129 3.757 14.837 186 2HD ARG 22 HD1 ARG 22 83.041 5.031 15.645 187 HE ARG 22 HE ARG 22 82.196 3.311 17.687 188 1HH1 ARG 22 HH21 ARG 22 84.023 3.151 14.766 189 2HH1 ARG 22 HH22 ARG 22 85.052 1.875 15.324 190 1HH2 ARG 22 HH11 ARG 22 83.529 1.645 18.430 191 2HH2 ARG 22 HH12 ARG 22 84.773 1.022 17.398 192 H GLY 23 HN GLY 23 77.642 6.850 13.543 193 1HA GLY 23 HA2 GLY 23 76.747 9.055 12.750 194 2HA GLY 23 HA1 GLY 23 78.373 9.698 12.984 195 H VAL 24 HN VAL 24 77.281 6.655 11.472 196 HA VAL 24 HA VAL 24 78.645 7.562 8.967 197 HB VAL 24 HB VAL 24 78.517 4.811 10.228 198 1HG1 VAL 24 HG11 VAL 24 80.074 4.492 8.029 199 2HG1 VAL 24 HG12 VAL 24 78.913 5.669 7.413 200 3HG1 VAL 24 HG13 VAL 24 78.350 4.125 8.051 201 1HG2 VAL 24 HG21 VAL 24 80.374 6.924 10.383 202 2HG2 VAL 24 HG22 VAL 24 81.088 5.755 9.270 203 3HG2 VAL 24 HG23 VAL 24 80.627 5.257 10.898 204 H LYS 25 HN LYS 25 77.401 7.478 7.133 205 HA LYS 25 HA LYS 25 74.895 5.861 7.219 206 1HB LYS 25 HB2 LYS 25 75.145 8.761 6.364 207 2HB LYS 25 HB1 LYS 25 73.716 7.765 6.091 208 1HG LYS 25 HG2 LYS 25 73.450 7.428 8.500 209 2HG LYS 25 HG1 LYS 25 74.928 8.340 8.811 210 1HD LYS 25 HD2 LYS 25 73.901 10.341 7.774 211 2HD LYS 25 HD1 LYS 25 72.415 9.427 7.508 212 1HE LYS 25 HE2 LYS 25 72.183 9.071 9.931 213 2HE LYS 25 HE1 LYS 25 73.683 9.957 10.211 214 1HZ LYS 25 HZ1 LYS 25 72.397 11.749 10.343 215 2HZ LYS 25 HZ2 LYS 25 71.047 10.950 9.688 216 3HZ LYS 25 HZ3 LYS 25 72.214 11.638 8.661 217 H VAL 26 HN VAL 26 75.797 4.347 5.766 218 HA VAL 26 HA VAL 26 76.238 5.408 3.006 219 HB VAL 26 HB VAL 26 77.977 3.634 2.713 220 1HG1 VAL 26 HG11 VAL 26 79.325 4.892 4.861 221 2HG1 VAL 26 HG12 VAL 26 78.153 6.065 4.260 222 3HG1 VAL 26 HG13 VAL 26 79.343 5.367 3.163 223 1HG2 VAL 26 HG21 VAL 26 77.478 3.289 5.683 224 2HG2 VAL 26 HG22 VAL 26 78.913 2.675 4.863 225 3HG2 VAL 26 HG23 VAL 26 77.317 2.065 4.423 226 H LYS 27 HN LYS 27 75.821 3.739 1.325 227 HA LYS 27 HA LYS 27 73.378 2.300 1.882 228 1HB LYS 27 HB2 LYS 27 75.255 2.302 -0.496 229 2HB LYS 27 HB1 LYS 27 73.749 1.385 -0.455 230 1HG LYS 27 HG2 LYS 27 72.501 3.483 -0.007 231 2HG LYS 27 HG1 LYS 27 74.011 4.388 -0.118 232 1HD LYS 27 HD2 LYS 27 74.310 3.685 -2.436 233 2HD LYS 27 HD1 LYS 27 72.873 2.667 -2.340 234 1HE LYS 27 HE2 LYS 27 72.250 4.743 -3.423 235 2HE LYS 27 HE1 LYS 27 71.532 4.728 -1.813 236 1HZ LYS 27 HZ1 LYS 27 73.230 6.636 -2.882 237 2HZ LYS 27 HZ2 LYS 27 74.137 5.813 -1.703 238 3HZ LYS 27 HZ3 LYS 27 72.660 6.542 -1.287 239 H TYR 28 HN TYR 28 73.076 0.034 2.036 240 HA TYR 28 HA TYR 28 75.149 -1.431 3.357 241 1HB TYR 28 HB2 TYR 28 72.642 -2.435 1.972 242 2HB TYR 28 HB1 TYR 28 73.644 -3.389 3.066 243 HD1 TYR 28 HD1 TYR 28 73.643 -2.989 5.457 244 HD2 TYR 28 HD2 TYR 28 71.328 -0.522 2.810 245 HE1 TYR 28 HE1 TYR 28 72.428 -2.043 7.401 246 HE2 TYR 28 HE2 TYR 28 70.113 0.424 4.754 247 HH TYR 28 HH TYR 28 71.166 0.115 7.906 248 H ALA 29 HN ALA 29 74.104 -1.277 -0.015 249 HA ALA 29 HA ALA 29 75.540 -3.505 -1.023 250 1HB ALA 29 HB1 ALA 29 75.407 -0.974 -2.622 251 2HB ALA 29 HB2 ALA 29 73.897 -1.776 -2.186 252 3HB ALA 29 HB3 ALA 29 75.111 -2.636 -3.132 253 H ASP 30 HN ASP 30 76.607 -0.232 -0.228 254 HA ASP 30 HA ASP 30 79.161 -0.305 -1.470 255 1HB ASP 30 HB2 ASP 30 78.191 1.081 1.041 256 2HB ASP 30 HB1 ASP 30 79.806 1.327 0.375 257 H LEU 31 HN LEU 31 78.141 -1.382 1.775 258 HA LEU 31 HA LEU 31 80.728 -2.179 2.675 259 1HB LEU 31 HB2 LEU 31 77.917 -2.965 3.407 260 2HB LEU 31 HB1 LEU 31 79.285 -3.828 4.109 261 HG LEU 31 HG LEU 31 78.470 -1.864 5.480 262 1HD1 LEU 31 HD11 LEU 31 80.572 -1.777 6.292 263 2HD1 LEU 31 HD12 LEU 31 81.161 -0.973 4.838 264 3HD1 LEU 31 HD13 LEU 31 81.073 -2.732 4.897 265 1HD2 LEU 31 HD21 LEU 31 78.848 0.362 4.702 266 2HD2 LEU 31 HD22 LEU 31 78.045 -0.470 3.370 267 3HD2 LEU 31 HD23 LEU 31 79.788 -0.202 3.322 268 H LEU 32 HN LEU 32 78.157 -4.028 1.027 269 HA LEU 32 HA LEU 32 79.574 -6.512 0.967 270 1HB LEU 32 HB2 LEU 32 77.460 -5.401 -0.904 271 2HB LEU 32 HB1 LEU 32 78.015 -7.075 -0.913 272 HG LEU 32 HG LEU 32 76.807 -5.675 1.491 273 1HD1 LEU 32 HD11 LEU 32 74.968 -5.961 0.085 274 2HD1 LEU 32 HD12 LEU 32 74.987 -7.501 0.943 275 3HD1 LEU 32 HD13 LEU 32 75.653 -7.391 -0.686 276 1HD2 LEU 32 HD21 LEU 32 78.103 -8.298 1.005 277 2HD2 LEU 32 HD22 LEU 32 76.601 -8.353 1.927 278 3HD2 LEU 32 HD23 LEU 32 77.953 -7.377 2.501 279 H LYS 33 HN LYS 33 79.425 -3.810 -1.354 280 HA LYS 33 HA LYS 33 81.133 -5.077 -3.304 281 1HB LYS 33 HB2 LYS 33 80.477 -2.160 -2.798 282 2HB LYS 33 HB1 LYS 33 81.395 -2.737 -4.188 283 1HG LYS 33 HG2 LYS 33 79.503 -4.130 -4.892 284 2HG LYS 33 HG1 LYS 33 78.583 -3.618 -3.476 285 1HD LYS 33 HD2 LYS 33 78.677 -1.279 -4.257 286 2HD LYS 33 HD1 LYS 33 79.593 -1.791 -5.675 287 1HE LYS 33 HE2 LYS 33 77.721 -3.196 -6.408 288 2HE LYS 33 HE1 LYS 33 76.804 -2.750 -4.969 289 1HZ LYS 33 HZ1 LYS 33 76.569 -0.574 -5.695 290 2HZ LYS 33 HZ2 LYS 33 76.364 -1.474 -7.121 291 3HZ LYS 33 HZ3 LYS 33 77.839 -0.689 -6.812 292 H PHE 34 HN PHE 34 81.722 -3.039 -0.479 293 HA PHE 34 HA PHE 34 84.448 -2.409 -0.964 294 1HB PHE 34 HB2 PHE 34 83.277 -1.336 0.857 295 2HB PHE 34 HB1 PHE 34 82.958 -2.888 1.631 296 HD1 PHE 34 HD1 PHE 34 84.323 -3.438 3.428 297 HD2 PHE 34 HD2 PHE 34 85.917 -1.021 0.255 298 HE1 PHE 34 HE1 PHE 34 86.487 -3.290 4.628 299 HE2 PHE 34 HE2 PHE 34 88.082 -0.873 1.455 300 HZ PHE 34 HZ PHE 34 88.367 -2.007 3.641 301 H PHE 35 HN PHE 35 83.027 -5.194 0.774 302 HA PHE 35 HA PHE 35 85.509 -6.473 1.364 303 1HB PHE 35 HB2 PHE 35 82.721 -7.586 0.961 304 2HB PHE 35 HB1 PHE 35 84.083 -8.566 1.504 305 HD1 PHE 35 HD1 PHE 35 85.507 -7.402 3.481 306 HD2 PHE 35 HD2 PHE 35 81.367 -6.656 2.608 307 HE1 PHE 35 HE1 PHE 35 85.162 -6.596 5.802 308 HE2 PHE 35 HE2 PHE 35 81.023 -5.851 4.928 309 HZ PHE 35 HZ PHE 35 82.920 -5.821 6.525 310 H ASP 36 HN ASP 36 83.296 -6.806 -1.413 311 HA ASP 36 HA ASP 36 84.788 -8.845 -2.753 312 1HB ASP 36 HB2 ASP 36 82.920 -6.694 -3.780 313 2HB ASP 36 HB1 ASP 36 83.622 -7.929 -4.825 314 H PHE 37 HN PHE 37 84.950 -5.293 -2.914 315 HA PHE 37 HA PHE 37 86.895 -5.112 -4.985 316 1HB PHE 37 HB2 PHE 37 85.644 -3.157 -4.154 317 2HB PHE 37 HB1 PHE 37 86.476 -3.278 -2.603 318 HD1 PHE 37 HD1 PHE 37 88.779 -2.585 -2.350 319 HD2 PHE 37 HD2 PHE 37 86.878 -2.517 -6.201 320 HE1 PHE 37 HE1 PHE 37 90.662 -1.248 -3.256 321 HE2 PHE 37 HE2 PHE 37 88.761 -1.179 -7.106 322 HZ PHE 37 HZ PHE 37 90.652 -0.546 -5.633 323 H VAL 38 HN VAL 38 87.281 -5.369 -1.449 324 HA VAL 38 HA VAL 38 90.096 -5.147 -1.336 325 HB VAL 38 HB VAL 38 88.232 -6.848 0.345 326 1HG1 VAL 38 HG11 VAL 38 90.203 -7.745 1.063 327 2HG1 VAL 38 HG12 VAL 38 90.358 -6.222 1.938 328 3HG1 VAL 38 HG13 VAL 38 91.161 -6.430 0.382 329 1HG2 VAL 38 HG21 VAL 38 88.569 -4.045 0.111 330 2HG2 VAL 38 HG22 VAL 38 89.356 -4.514 1.618 331 3HG2 VAL 38 HG23 VAL 38 87.659 -4.913 1.348 332 H LYS 39 HN LYS 39 88.078 -8.046 -1.865 333 HA LYS 39 HA LYS 39 90.265 -9.884 -2.084 334 1HB LYS 39 HB2 LYS 39 87.475 -9.948 -3.272 335 2HB LYS 39 HB1 LYS 39 88.603 -11.304 -3.336 336 1HG LYS 39 HG2 LYS 39 88.724 -11.317 -0.867 337 2HG LYS 39 HG1 LYS 39 87.580 -9.975 -0.807 338 1HD LYS 39 HD2 LYS 39 85.888 -11.363 -1.946 339 2HD LYS 39 HD1 LYS 39 87.029 -12.707 -2.008 340 1HE LYS 39 HE2 LYS 39 87.111 -12.809 0.424 341 2HE LYS 39 HE1 LYS 39 86.088 -11.378 0.550 342 1HZ LYS 39 HZ1 LYS 39 85.123 -13.684 -0.986 343 2HZ LYS 39 HZ2 LYS 39 84.243 -12.516 -0.121 344 3HZ LYS 39 HZ3 LYS 39 85.064 -13.750 0.707 345 H ASP 40 HN ASP 40 88.653 -7.781 -4.426 346 HA ASP 40 HA ASP 40 89.980 -8.862 -6.748 347 1HB ASP 40 HB2 ASP 40 88.649 -6.197 -6.206 348 2HB ASP 40 HB1 ASP 40 89.304 -6.644 -7.782 349 H THR 41 HN THR 41 91.009 -6.786 -4.198 350 HA THR 41 HA THR 41 92.872 -5.109 -5.491 351 HB THR 41 HB THR 41 93.404 -6.441 -2.828 352 HG1 THR 41 HG1 THR 41 91.952 -5.114 -1.931 353 1HG2 THR 41 HG21 THR 41 94.371 -4.201 -2.325 354 2HG2 THR 41 HG22 THR 41 94.015 -3.706 -3.980 355 3HG2 THR 41 HG23 THR 41 95.178 -4.997 -3.676 356 H CYS 42 HN CYS 42 93.472 -8.347 -4.083 357 HA CYS 42 HA CYS 42 95.935 -8.485 -5.773 358 1HB CYS 42 HB2 CYS 42 95.342 -9.275 -3.004 359 2HB CYS 42 HB1 CYS 42 96.161 -10.529 -3.940 360 HG CYS 42 HG CYS 42 97.751 -8.210 -4.558 361 HA PRO 43 HA PRO 43 93.925 -13.037 -5.724 362 1HB PRO 43 HB2 PRO 43 91.152 -12.002 -5.282 363 2HB PRO 43 HB1 PRO 43 91.879 -13.535 -4.763 364 1HG PRO 43 HG2 PRO 43 91.510 -11.448 -3.096 365 2HG PRO 43 HG1 PRO 43 92.827 -12.614 -2.912 366 1HD PRO 43 HD2 PRO 43 93.049 -9.771 -3.672 367 2HD PRO 43 HD1 PRO 43 94.263 -10.951 -3.139 368 H TRP 44 HN TRP 44 92.104 -10.175 -6.829 369 HA TRP 44 HA TRP 44 92.347 -11.182 -9.609 370 1HB TRP 44 HB2 TRP 44 89.710 -10.308 -8.389 371 2HB TRP 44 HB1 TRP 44 89.968 -10.778 -10.068 372 HD1 TRP 44 HD1 TRP 44 91.371 -13.359 -10.116 373 HE1 TRP 44 HE1 TRP 44 90.536 -15.492 -8.934 374 HE3 TRP 44 HE3 TRP 44 88.277 -11.277 -6.629 375 HZ2 TRP 44 HZ2 TRP 44 88.786 -16.219 -6.789 376 HZ3 TRP 44 HZ3 TRP 44 87.039 -12.711 -5.031 377 HH2 TRP 44 HH2 TRP 44 87.289 -15.177 -5.106 378 H PHE 45 HN PHE 45 90.364 -9.058 -10.401 379 HA PHE 45 HA PHE 45 91.095 -6.492 -9.489 380 1HB PHE 45 HB2 PHE 45 93.181 -7.750 -10.993 381 2HB PHE 45 HB1 PHE 45 92.536 -6.417 -11.949 382 HD1 PHE 45 HD1 PHE 45 91.907 -4.272 -10.349 383 HD2 PHE 45 HD2 PHE 45 94.965 -7.198 -9.611 384 HE1 PHE 45 HE1 PHE 45 93.107 -2.654 -8.903 385 HE2 PHE 45 HE2 PHE 45 96.165 -5.580 -8.165 386 HZ PHE 45 HZ PHE 45 95.235 -3.307 -7.810 387 HA PRO 46 HA PRO 46 89.342 -6.406 -14.106 388 1HB PRO 46 HB2 PRO 46 88.273 -9.184 -14.125 389 2HB PRO 46 HB1 PRO 46 89.032 -8.256 -15.432 390 1HG PRO 46 HG2 PRO 46 90.317 -10.234 -14.185 391 2HG PRO 46 HG1 PRO 46 91.158 -8.781 -14.751 392 1HD PRO 46 HD2 PRO 46 90.381 -9.540 -11.960 393 2HD PRO 46 HD1 PRO 46 91.797 -8.618 -12.508 394 H GLN 47 HN GLN 47 87.870 -8.347 -11.524 395 HA GLN 47 HA GLN 47 85.142 -7.758 -12.136 396 1HB GLN 47 HB2 GLN 47 86.494 -8.383 -9.496 397 2HB GLN 47 HB1 GLN 47 84.746 -8.298 -9.711 398 1HG GLN 47 HG2 GLN 47 84.870 -10.069 -11.428 399 2HG GLN 47 HG1 GLN 47 86.617 -10.162 -11.201 400 1HE2 GLN 47 HE21 GLN 47 85.683 -12.537 -10.666 401 2HE2 GLN 47 HE22 GLN 47 85.393 -12.822 -9.018 402 H GLU 48 HN GLU 48 84.097 -5.834 -12.030 403 HA GLU 48 HA GLU 48 85.008 -3.832 -10.019 404 1HB GLU 48 HB2 GLU 48 84.537 -3.329 -12.970 405 2HB GLU 48 HB1 GLU 48 84.686 -2.047 -11.767 406 1HG GLU 48 HG2 GLU 48 86.792 -4.179 -12.207 407 2HG GLU 48 HG1 GLU 48 86.838 -2.592 -12.974 408 H GLY 49 HN GLY 49 83.329 -2.215 -9.532 409 1HA GLY 49 HA2 GLY 49 80.616 -2.726 -10.545 410 2HA GLY 49 HA1 GLY 49 80.861 -3.125 -8.844 411 H THR 50 HN THR 50 79.054 -1.110 -9.602 412 HA THR 50 HA THR 50 80.187 1.519 -9.605 413 HB THR 50 HB THR 50 77.503 0.780 -8.417 414 HG1 THR 50 HG1 THR 50 76.769 0.451 -10.379 415 1HG2 THR 50 HG21 THR 50 78.575 3.217 -9.865 416 2HG2 THR 50 HG22 THR 50 78.153 3.112 -8.155 417 3HG2 THR 50 HG23 THR 50 76.893 3.000 -9.383 418 H ILE 51 HN ILE 51 80.777 2.868 -7.908 419 HA ILE 51 HA ILE 51 80.472 1.769 -5.145 420 HB ILE 51 HB ILE 51 82.853 1.736 -6.399 421 1HG1 ILE 51 HG12 ILE 51 82.457 0.856 -4.161 422 2HG1 ILE 51 HG11 ILE 51 83.877 1.900 -4.117 423 1HG2 ILE 51 HG21 ILE 51 82.725 4.223 -6.757 424 2HG2 ILE 51 HG22 ILE 51 84.151 3.710 -5.857 425 3HG2 ILE 51 HG23 ILE 51 82.786 4.429 -5.005 426 1HD1 ILE 51 HD11 ILE 51 81.120 2.415 -3.046 427 2HD1 ILE 51 HD12 ILE 51 82.139 3.774 -3.516 428 3HD1 ILE 51 HD13 ILE 51 82.680 2.662 -2.262 429 H ASP 52 HN ASP 52 79.748 3.260 -3.671 430 HA ASP 52 HA ASP 52 78.843 5.842 -4.628 431 1HB ASP 52 HB2 ASP 52 77.663 4.532 -2.860 432 2HB ASP 52 HB1 ASP 52 79.023 4.828 -1.776 433 H ILE 53 HN ILE 53 79.854 7.814 -4.440 434 HA ILE 53 HA ILE 53 82.655 7.931 -3.851 435 HB ILE 53 HB ILE 53 80.631 10.190 -3.954 436 1HG1 ILE 53 HG12 ILE 53 82.502 9.216 -6.129 437 2HG1 ILE 53 HG11 ILE 53 80.827 8.677 -5.998 438 1HG2 ILE 53 HG21 ILE 53 83.163 11.022 -4.852 439 2HG2 ILE 53 HG22 ILE 53 83.473 10.095 -3.384 440 3HG2 ILE 53 HG23 ILE 53 82.377 11.477 -3.340 441 1HD1 ILE 53 HD11 ILE 53 80.854 10.534 -7.532 442 2HD1 ILE 53 HD12 ILE 53 81.814 11.509 -6.420 443 3HD1 ILE 53 HD13 ILE 53 80.141 11.114 -6.026 444 H LYS 54 HN LYS 54 79.791 8.379 -1.877 445 HA LYS 54 HA LYS 54 81.029 9.778 0.297 446 1HB LYS 54 HB2 LYS 54 78.628 7.933 0.180 447 2HB LYS 54 HB1 LYS 54 79.110 8.795 1.641 448 1HG LYS 54 HG2 LYS 54 78.912 10.944 0.453 449 2HG LYS 54 HG1 LYS 54 78.447 10.092 -1.019 450 1HD LYS 54 HD2 LYS 54 76.474 9.162 0.150 451 2HD LYS 54 HD1 LYS 54 76.930 10.047 1.607 452 1HE LYS 54 HE2 LYS 54 76.293 11.310 -1.077 453 2HE LYS 54 HE1 LYS 54 75.206 11.266 0.312 454 1HZ LYS 54 HZ1 LYS 54 76.269 12.951 1.260 455 2HZ LYS 54 HZ2 LYS 54 77.070 13.189 -0.220 456 3HZ LYS 54 HZ3 LYS 54 77.794 12.255 1.000 457 H PHE 55 HN PHE 55 80.668 6.320 -0.432 458 HA PHE 55 HA PHE 55 81.899 5.492 2.079 459 1HB PHE 55 HB2 PHE 55 80.264 4.096 0.732 460 2HB PHE 55 HB1 PHE 55 81.556 3.849 -0.443 461 HD1 PHE 55 HD1 PHE 55 83.463 2.439 0.054 462 HD2 PHE 55 HD2 PHE 55 80.452 3.192 3.022 463 HE1 PHE 55 HE1 PHE 55 84.386 0.611 1.454 464 HE2 PHE 55 HE2 PHE 55 81.374 1.365 4.423 465 HZ PHE 55 HZ PHE 55 83.341 0.073 3.638 466 H TRP 56 HN TRP 56 83.025 6.424 -1.074 467 HA TRP 56 HA TRP 56 85.489 5.046 -1.208 468 1HB TRP 56 HB2 TRP 56 84.804 6.341 -3.103 469 2HB TRP 56 HB1 TRP 56 84.701 7.815 -2.141 470 HD1 TRP 56 HD1 TRP 56 87.570 5.232 -2.294 471 HE1 TRP 56 HE1 TRP 56 89.738 6.477 -2.924 472 HE3 TRP 56 HE3 TRP 56 85.709 9.932 -3.027 473 HZ2 TRP 56 HZ2 TRP 56 90.572 9.117 -3.644 474 HZ3 TRP 56 HZ3 TRP 56 87.210 11.789 -3.685 475 HH2 TRP 56 HH2 TRP 56 89.637 11.389 -3.994 476 H ARG 57 HN ARG 57 84.614 7.978 0.586 477 HA ARG 57 HA ARG 57 87.220 8.772 1.369 478 1HB ARG 57 HB2 ARG 57 84.729 8.964 3.084 479 2HB ARG 57 HB1 ARG 57 86.151 10.005 3.149 480 1HG ARG 57 HG2 ARG 57 84.270 9.749 0.783 481 2HG ARG 57 HG1 ARG 57 84.307 11.098 1.919 482 1HD ARG 57 HD2 ARG 57 86.886 11.125 1.246 483 2HD ARG 57 HD1 ARG 57 86.263 10.365 -0.218 484 HE ARG 57 HE ARG 57 85.862 13.141 0.567 485 1HH1 ARG 57 HH21 ARG 57 84.617 10.409 -1.128 486 2HH1 ARG 57 HH22 ARG 57 83.681 11.357 -2.235 487 1HH2 ARG 57 HH11 ARG 57 84.647 14.392 -0.869 488 2HH2 ARG 57 HH12 ARG 57 83.698 13.612 -2.089 489 H ARG 58 HN ARG 58 85.020 6.369 2.780 490 HA ARG 58 HA ARG 58 86.666 5.824 5.084 491 1HB ARG 58 HB2 ARG 58 84.631 4.057 3.690 492 2HB ARG 58 HB1 ARG 58 85.289 3.784 5.304 493 1HG ARG 58 HG2 ARG 58 83.846 6.328 4.521 494 2HG ARG 58 HG1 ARG 58 83.030 4.944 5.249 495 1HD ARG 58 HD2 ARG 58 84.802 5.093 7.109 496 2HD ARG 58 HD1 ARG 58 85.185 6.685 6.452 497 HE ARG 58 HE ARG 58 82.733 5.958 7.899 498 1HH1 ARG 58 HH21 ARG 58 84.393 8.116 5.783 499 2HH1 ARG 58 HH22 ARG 58 83.360 9.463 6.130 500 1HH2 ARG 58 HH11 ARG 58 81.375 7.704 8.364 501 2HH2 ARG 58 HH12 ARG 58 81.651 9.229 7.591 502 H VAL 59 HN VAL 59 86.451 4.405 1.837 503 HA VAL 59 HA VAL 59 88.283 2.249 2.327 504 HB VAL 59 HB VAL 59 87.482 3.700 -0.210 505 1HG1 VAL 59 HG11 VAL 59 89.416 1.447 0.271 506 2HG1 VAL 59 HG12 VAL 59 89.561 2.821 -0.826 507 3HG1 VAL 59 HG13 VAL 59 88.474 1.489 -1.220 508 1HG2 VAL 59 HG21 VAL 59 86.738 1.052 1.066 509 2HG2 VAL 59 HG22 VAL 59 86.316 1.479 -0.592 510 3HG2 VAL 59 HG23 VAL 59 85.676 2.425 0.753 511 H GLY 60 HN GLY 60 88.745 5.545 1.045 512 1HA GLY 60 HA2 GLY 60 91.498 5.364 0.443 513 2HA GLY 60 HA1 GLY 60 90.690 6.855 0.929 514 H ASP 61 HN ASP 61 89.942 6.321 3.520 515 HA ASP 61 HA ASP 61 92.419 6.654 4.942 516 1HB ASP 61 HB2 ASP 61 89.543 6.300 5.738 517 2HB ASP 61 HB1 ASP 61 90.803 6.211 6.970 518 H CYS 62 HN CYS 62 90.262 3.891 4.439 519 HA CYS 62 HA CYS 62 91.554 2.160 6.342 520 1HB CYS 62 HB2 CYS 62 89.938 1.502 3.860 521 2HB CYS 62 HB1 CYS 62 90.398 0.336 5.101 522 HG CYS 62 HG CYS 62 89.006 1.907 6.817 523 H PHE 63 HN PHE 63 91.844 2.409 2.780 524 HA PHE 63 HA PHE 63 93.936 0.474 2.548 525 1HB PHE 63 HB2 PHE 63 92.841 2.658 0.832 526 2HB PHE 63 HB1 PHE 63 94.433 2.021 0.418 527 HD1 PHE 63 HD1 PHE 63 94.142 0.607 -1.431 528 HD2 PHE 63 HD2 PHE 63 91.432 0.330 1.890 529 HE1 PHE 63 HE1 PHE 63 93.082 -1.384 -2.463 530 HE2 PHE 63 HE2 PHE 63 90.371 -1.660 0.858 531 HZ PHE 63 HZ PHE 63 91.196 -2.517 -1.318 532 H GLN 64 HN GLN 64 94.010 4.003 3.000 533 HA GLN 64 HA GLN 64 96.828 4.341 2.782 534 1HB GLN 64 HB2 GLN 64 95.172 6.210 2.870 535 2HB GLN 64 HB1 GLN 64 94.926 5.871 4.583 536 1HG GLN 64 HG2 GLN 64 97.264 6.349 5.063 537 2HG GLN 64 HG1 GLN 64 97.607 6.556 3.345 538 1HE2 GLN 64 HE21 GLN 64 98.074 8.798 3.263 539 2HE2 GLN 64 HE22 GLN 64 96.986 10.005 3.754 540 H ASP 65 HN ASP 65 94.787 3.426 5.541 541 HA ASP 65 HA ASP 65 96.812 3.527 7.543 542 1HB ASP 65 HB2 ASP 65 94.311 1.849 7.257 543 2HB ASP 65 HB1 ASP 65 95.352 1.754 8.678 544 H TYR 66 HN TYR 66 95.793 0.877 5.384 545 HA TYR 66 HA TYR 66 97.631 -1.063 6.422 546 1HB TYR 66 HB2 TYR 66 96.215 -0.765 3.770 547 2HB TYR 66 HB1 TYR 66 97.312 -2.109 4.090 548 HD1 TYR 66 HD1 TYR 66 96.900 -3.430 6.317 549 HD2 TYR 66 HD2 TYR 66 93.968 -0.935 4.412 550 HE1 TYR 66 HE1 TYR 66 95.097 -4.614 7.541 551 HE2 TYR 66 HE2 TYR 66 92.164 -2.120 5.636 552 HH TYR 66 HH TYR 66 92.801 -4.226 8.256 553 H TYR 67 HN TYR 67 97.911 1.386 3.872 554 HA TYR 67 HA TYR 67 100.418 0.555 2.812 555 1HB TYR 67 HB2 TYR 67 99.391 2.212 1.533 556 2HB TYR 67 HB1 TYR 67 98.951 3.172 2.947 557 HD1 TYR 67 HD1 TYR 67 100.414 4.838 3.821 558 HD2 TYR 67 HD2 TYR 67 101.809 2.103 0.817 559 HE1 TYR 67 HE1 TYR 67 102.478 6.186 3.552 560 HE2 TYR 67 HE2 TYR 67 103.873 3.452 0.547 561 HH TYR 67 HH TYR 67 104.414 6.098 1.032 562 H ASN 68 HN ASN 68 99.744 3.030 5.319 563 HA ASN 68 HA ASN 68 102.494 3.470 5.973 564 1HB ASN 68 HB2 ASN 68 99.910 3.920 7.473 565 2HB ASN 68 HB1 ASN 68 101.474 4.294 8.199 566 1HD2 ASN 68 HD21 ASN 68 99.210 6.115 7.169 567 2HD2 ASN 68 HD22 ASN 68 99.997 7.193 6.120 568 H THR 69 HN THR 69 100.122 1.109 7.089 569 HA THR 69 HA THR 69 101.675 0.145 9.320 570 HB THR 69 HB THR 69 99.667 -1.443 7.701 571 HG1 THR 69 HG1 THR 69 99.380 0.756 9.333 572 1HG2 THR 69 HG21 THR 69 99.239 -2.455 9.959 573 2HG2 THR 69 HG22 THR 69 100.609 -1.531 10.577 574 3HG2 THR 69 HG23 THR 69 100.862 -2.762 9.341 575 H PHE 70 HN PHE 70 101.364 -0.902 5.927 576 HA PHE 70 HA PHE 70 103.816 -2.568 6.349 577 1HB PHE 70 HB2 PHE 70 101.364 -3.098 4.656 578 2HB PHE 70 HB1 PHE 70 102.881 -3.970 4.429 579 HD1 PHE 70 HD1 PHE 70 99.950 -3.513 6.562 580 HD2 PHE 70 HD2 PHE 70 103.799 -5.394 6.250 581 HE1 PHE 70 HE1 PHE 70 99.365 -5.022 8.441 582 HE2 PHE 70 HE2 PHE 70 103.214 -6.903 8.129 583 HZ PHE 70 HZ PHE 70 100.997 -6.717 9.225 584 H GLY 71 HN GLY 71 101.900 -0.898 3.826 585 1HA GLY 71 HA2 GLY 71 103.402 0.934 2.712 586 2HA GLY 71 HA1 GLY 71 104.439 -0.441 2.333 587 HA PRO 72 HA PRO 72 101.446 0.175 -1.174 588 1HB PRO 72 HB2 PRO 72 103.772 -0.508 -2.827 589 2HB PRO 72 HB1 PRO 72 102.754 0.941 -2.872 590 1HG PRO 72 HG2 PRO 72 105.318 0.932 -1.987 591 2HG PRO 72 HG1 PRO 72 104.089 2.081 -1.435 592 1HD PRO 72 HD2 PRO 72 105.192 -0.312 -0.037 593 2HD PRO 72 HD1 PRO 72 104.611 1.230 0.634 594 H GLU 73 HN GLU 73 103.628 -2.370 -0.229 595 HA GLU 73 HA GLU 73 103.015 -4.367 -2.131 596 1HB GLU 73 HB2 GLU 73 103.543 -4.642 0.844 597 2HB GLU 73 HB1 GLU 73 103.534 -5.989 -0.295 598 1HG GLU 73 HG2 GLU 73 105.325 -3.558 -0.563 599 2HG GLU 73 HG1 GLU 73 105.831 -5.083 0.165 600 H LYS 74 HN LYS 74 101.390 -3.736 0.999 601 HA LYS 74 HA LYS 74 99.301 -5.657 0.553 602 1HB LYS 74 HB2 LYS 74 99.333 -3.187 2.315 603 2HB LYS 74 HB1 LYS 74 98.140 -4.482 2.405 604 1HG LYS 74 HG2 LYS 74 101.125 -4.852 2.789 605 2HG LYS 74 HG1 LYS 74 99.943 -4.760 4.095 606 1HD LYS 74 HD2 LYS 74 98.742 -6.686 2.778 607 2HD LYS 74 HD1 LYS 74 100.331 -6.924 2.048 608 1HE LYS 74 HE2 LYS 74 101.331 -7.133 4.298 609 2HE LYS 74 HE1 LYS 74 99.738 -6.916 5.022 610 1HZ LYS 74 HZ1 LYS 74 98.977 -8.900 3.907 611 2HZ LYS 74 HZ2 LYS 74 100.357 -9.258 4.830 612 3HZ LYS 74 HZ3 LYS 74 100.480 -9.094 3.144 613 H VAL 75 HN VAL 75 99.595 -2.194 -0.134 614 HA VAL 75 HA VAL 75 97.270 -2.445 -1.964 615 HB VAL 75 HB VAL 75 96.351 -0.286 -1.096 616 1HG1 VAL 75 HG11 VAL 75 95.825 -2.752 -0.230 617 2HG1 VAL 75 HG12 VAL 75 95.094 -1.341 0.534 618 3HG1 VAL 75 HG13 VAL 75 96.499 -2.113 1.269 619 1HG2 VAL 75 HG21 VAL 75 97.903 0.902 0.090 620 2HG2 VAL 75 HG22 VAL 75 98.766 -0.548 0.600 621 3HG2 VAL 75 HG23 VAL 75 97.305 -0.048 1.450 622 HA PRO 76 HA PRO 76 101.014 -0.340 -3.778 623 1HB PRO 76 HB2 PRO 76 99.730 -1.541 -6.181 624 2HB PRO 76 HB1 PRO 76 101.431 -1.565 -5.678 625 1HG PRO 76 HG2 PRO 76 99.912 -3.729 -5.460 626 2HG PRO 76 HG1 PRO 76 101.121 -3.326 -4.230 627 1HD PRO 76 HD2 PRO 76 98.150 -3.006 -4.143 628 2HD PRO 76 HD1 PRO 76 99.269 -3.466 -2.841 629 H VAL 77 HN VAL 77 101.073 1.497 -5.237 630 HA VAL 77 HA VAL 77 98.962 3.320 -5.094 631 HB VAL 77 HB VAL 77 101.230 3.939 -5.836 632 1HG1 VAL 77 HG11 VAL 77 100.685 2.974 -8.603 633 2HG1 VAL 77 HG12 VAL 77 101.151 1.760 -7.411 634 3HG1 VAL 77 HG13 VAL 77 102.219 3.124 -7.745 635 1HG2 VAL 77 HG21 VAL 77 99.268 4.546 -8.061 636 2HG2 VAL 77 HG22 VAL 77 100.577 5.567 -7.466 637 3HG2 VAL 77 HG23 VAL 77 99.151 5.290 -6.465 638 H THR 78 HN THR 78 99.058 0.440 -6.887 639 HA THR 78 HA THR 78 97.553 1.116 -9.203 640 HB THR 78 HB THR 78 96.979 -1.255 -9.314 641 HG1 THR 78 HG1 THR 78 96.533 -1.315 -6.976 642 1HG2 THR 78 HG21 THR 78 99.747 -0.571 -8.334 643 2HG2 THR 78 HG22 THR 78 99.214 -0.887 -9.985 644 3HG2 THR 78 HG23 THR 78 99.328 -2.211 -8.825 645 H ALA 79 HN ALA 79 96.531 0.326 -5.900 646 HA ALA 79 HA ALA 79 93.752 0.076 -6.335 647 1HB ALA 79 HB1 ALA 79 93.477 0.608 -3.995 648 2HB ALA 79 HB2 ALA 79 95.030 1.442 -3.950 649 3HB ALA 79 HB3 ALA 79 94.975 -0.309 -4.154 650 H PHE 80 HN PHE 80 95.669 3.022 -5.694 651 HA PHE 80 HA PHE 80 93.452 4.829 -5.773 652 1HB PHE 80 HB2 PHE 80 96.400 5.230 -6.348 653 2HB PHE 80 HB1 PHE 80 95.235 6.553 -6.284 654 HD1 PHE 80 HD1 PHE 80 96.860 3.866 -4.320 655 HD2 PHE 80 HD2 PHE 80 94.316 7.324 -4.195 656 HE1 PHE 80 HE1 PHE 80 97.046 3.912 -1.847 657 HE2 PHE 80 HE2 PHE 80 94.501 7.371 -1.722 658 HZ PHE 80 HZ PHE 80 95.866 5.665 -0.548 659 H SER 81 HN SER 81 95.709 3.732 -8.305 660 HA SER 81 HA SER 81 94.669 5.363 -10.401 661 1HB SER 81 HB2 SER 81 95.926 2.608 -10.581 662 2HB SER 81 HB1 SER 81 95.719 3.726 -11.925 663 HG SER 81 HG SER 81 97.256 4.992 -11.125 664 H TYR 82 HN TYR 82 93.914 1.963 -9.559 665 HA TYR 82 HA TYR 82 91.867 1.624 -11.507 666 1HB TYR 82 HB2 TYR 82 92.609 0.276 -8.944 667 2HB TYR 82 HB1 TYR 82 91.013 -0.059 -9.617 668 HD1 TYR 82 HD1 TYR 82 90.823 -0.913 -11.990 669 HD2 TYR 82 HD2 TYR 82 94.577 -0.638 -9.921 670 HE1 TYR 82 HE1 TYR 82 91.843 -2.466 -13.634 671 HE2 TYR 82 HE2 TYR 82 95.596 -2.191 -11.563 672 HH TYR 82 HH TYR 82 94.515 -2.805 -14.428 673 H TRP 83 HN TRP 83 91.722 2.801 -8.149 674 HA TRP 83 HA TRP 83 88.872 3.039 -8.021 675 1HB TRP 83 HB2 TRP 83 90.721 3.272 -6.155 676 2HB TRP 83 HB1 TRP 83 90.673 4.978 -6.600 677 HD1 TRP 83 HD1 TRP 83 88.473 6.335 -6.083 678 HE1 TRP 83 HE1 TRP 83 86.438 5.850 -4.576 679 HE3 TRP 83 HE3 TRP 83 89.173 1.349 -5.237 680 HZ2 TRP 83 HZ2 TRP 83 85.263 3.638 -3.195 681 HZ3 TRP 83 HZ3 TRP 83 87.582 0.078 -3.824 682 HH2 TRP 83 HH2 TRP 83 85.630 1.215 -2.803 683 H ASN 84 HN ASN 84 91.406 5.295 -9.083 684 HA ASN 84 HA ASN 84 89.790 7.574 -9.529 685 1HB ASN 84 HB2 ASN 84 92.176 6.566 -11.110 686 2HB ASN 84 HB1 ASN 84 91.486 8.181 -11.267 687 1HD2 ASN 84 HD21 ASN 84 90.896 7.871 -8.169 688 2HD2 ASN 84 HD22 ASN 84 92.376 8.320 -7.471 689 H LEU 85 HN LEU 85 90.344 4.721 -11.566 690 HA LEU 85 HA LEU 85 88.899 5.626 -13.854 691 1HB LEU 85 HB2 LEU 85 90.361 3.593 -13.792 692 2HB LEU 85 HB1 LEU 85 89.125 2.780 -12.829 693 HG LEU 85 HG LEU 85 88.099 4.055 -15.282 694 1HD1 LEU 85 HD11 LEU 85 90.206 1.899 -15.354 695 2HD1 LEU 85 HD12 LEU 85 90.068 3.341 -16.362 696 3HD1 LEU 85 HD13 LEU 85 88.962 1.987 -16.602 697 1HD2 LEU 85 HD21 LEU 85 86.834 1.989 -15.395 698 2HD2 LEU 85 HD22 LEU 85 86.841 2.531 -13.718 699 3HD2 LEU 85 HD23 LEU 85 87.904 1.219 -14.224 700 H ILE 86 HN ILE 86 87.832 3.876 -10.940 701 HA ILE 86 HA ILE 86 85.120 3.504 -11.749 702 HB ILE 86 HB ILE 86 86.524 3.644 -9.094 703 1HG1 ILE 86 HG12 ILE 86 86.300 1.625 -10.811 704 2HG1 ILE 86 HG11 ILE 86 86.190 1.346 -9.072 705 1HG2 ILE 86 HG21 ILE 86 84.189 2.934 -8.178 706 2HG2 ILE 86 HG22 ILE 86 83.559 3.725 -9.624 707 3HG2 ILE 86 HG23 ILE 86 84.496 4.649 -8.450 708 1HD1 ILE 86 HD11 ILE 86 83.735 1.960 -10.715 709 2HD1 ILE 86 HD12 ILE 86 83.831 1.199 -9.126 710 3HD1 ILE 86 HD13 ILE 86 84.346 0.313 -10.561 711 H LYS 87 HN LYS 87 86.722 6.176 -10.029 712 HA LYS 87 HA LYS 87 84.436 7.711 -9.409 713 1HB LYS 87 HB2 LYS 87 87.207 8.640 -10.217 714 2HB LYS 87 HB1 LYS 87 85.980 9.676 -9.490 715 1HG LYS 87 HG2 LYS 87 87.072 7.148 -8.220 716 2HG LYS 87 HG1 LYS 87 87.590 8.783 -7.807 717 1HD LYS 87 HD2 LYS 87 84.996 9.185 -7.478 718 2HD LYS 87 HD1 LYS 87 84.970 7.434 -7.262 719 1HE LYS 87 HE2 LYS 87 86.665 7.605 -5.495 720 2HE LYS 87 HE1 LYS 87 86.743 9.352 -5.723 721 1HZ LYS 87 HZ1 LYS 87 84.845 9.664 -4.609 722 2HZ LYS 87 HZ2 LYS 87 85.128 8.112 -3.975 723 3HZ LYS 87 HZ3 LYS 87 84.084 8.315 -5.300 724 H GLU 88 HN GLU 88 86.302 7.531 -12.428 725 HA GLU 88 HA GLU 88 84.897 9.668 -13.748 726 1HB GLU 88 HB2 GLU 88 86.365 7.277 -14.907 727 2HB GLU 88 HB1 GLU 88 85.843 8.688 -15.829 728 1HG GLU 88 HG2 GLU 88 87.239 10.141 -14.405 729 2HG GLU 88 HG1 GLU 88 87.764 8.732 -13.482 730 H LEU 89 HN LEU 89 84.354 6.173 -13.525 731 HA LEU 89 HA LEU 89 82.276 6.045 -15.499 732 1HB LEU 89 HB2 LEU 89 83.244 4.307 -13.278 733 2HB LEU 89 HB1 LEU 89 81.611 4.008 -13.873 734 HG LEU 89 HG LEU 89 82.525 3.895 -16.198 735 1HD1 LEU 89 HD11 LEU 89 84.551 5.274 -15.747 736 2HD1 LEU 89 HD12 LEU 89 84.949 3.734 -16.505 737 3HD1 LEU 89 HD13 LEU 89 85.203 3.955 -14.775 738 1HD2 LEU 89 HD21 LEU 89 82.200 1.779 -15.200 739 2HD2 LEU 89 HD22 LEU 89 83.510 2.024 -14.046 740 3HD2 LEU 89 HD23 LEU 89 83.876 1.722 -15.744 741 H ILE 90 HN ILE 90 82.221 6.595 -11.985 742 HA ILE 90 HA ILE 90 79.283 6.802 -12.004 743 HB ILE 90 HB ILE 90 79.529 7.184 -9.584 744 1HG1 ILE 90 HG12 ILE 90 82.455 7.339 -10.328 745 2HG1 ILE 90 HG11 ILE 90 81.497 8.521 -9.437 746 1HG2 ILE 90 HG21 ILE 90 81.510 5.014 -10.092 747 2HG2 ILE 90 HG22 ILE 90 79.933 4.859 -10.864 748 3HG2 ILE 90 HG23 ILE 90 80.046 4.992 -9.110 749 1HD1 ILE 90 HD11 ILE 90 82.748 7.409 -7.762 750 2HD1 ILE 90 HD12 ILE 90 82.487 5.828 -8.499 751 3HD1 ILE 90 HD13 ILE 90 81.155 6.654 -7.689 752 H ASP 91 HN ASP 91 82.089 8.942 -11.511 753 HA ASP 91 HA ASP 91 80.647 11.311 -10.907 754 1HB ASP 91 HB2 ASP 91 83.299 10.914 -12.317 755 2HB ASP 91 HB1 ASP 91 82.688 12.491 -11.823 756 H LYS 92 HN LYS 92 81.773 10.078 -14.070 757 HA LYS 92 HA LYS 92 80.663 12.221 -15.609 758 1HB LYS 92 HB2 LYS 92 81.326 9.353 -16.322 759 2HB LYS 92 HB1 LYS 92 80.791 10.543 -17.508 760 1HG LYS 92 HG2 LYS 92 82.691 11.990 -16.951 761 2HG LYS 92 HG1 LYS 92 83.214 10.850 -15.712 762 1HD LYS 92 HD2 LYS 92 83.571 9.122 -17.410 763 2HD LYS 92 HD1 LYS 92 82.977 10.210 -18.666 764 1HE LYS 92 HE2 LYS 92 84.823 11.768 -18.211 765 2HE LYS 92 HE1 LYS 92 85.410 10.713 -16.926 766 1HZ LYS 92 HZ1 LYS 92 85.060 9.189 -19.252 767 2HZ LYS 92 HZ2 LYS 92 86.504 9.536 -18.424 768 3HZ LYS 92 HZ3 LYS 92 85.961 10.568 -19.659 769 H LYS 93 HN LYS 93 79.354 9.028 -14.705 770 HA LYS 93 HA LYS 93 76.820 9.543 -16.062 771 1HB LYS 93 HB2 LYS 93 77.687 7.242 -15.780 772 2HB LYS 93 HB1 LYS 93 77.556 7.414 -14.029 773 1HG LYS 93 HG2 LYS 93 75.134 7.744 -14.217 774 2HG LYS 93 HG1 LYS 93 75.241 7.644 -15.975 775 1HD LYS 93 HD2 LYS 93 76.123 5.338 -15.783 776 2HD LYS 93 HD1 LYS 93 75.973 5.437 -14.028 777 1HE LYS 93 HE2 LYS 93 73.537 5.828 -14.271 778 2HE LYS 93 HE1 LYS 93 73.698 5.676 -16.020 779 1HZ LYS 93 HZ1 LYS 93 74.496 3.564 -14.094 780 2HZ LYS 93 HZ2 LYS 93 74.419 3.435 -15.787 781 3HZ LYS 93 HZ3 LYS 93 72.993 3.607 -14.879 782 H GLU 94 HN GLU 94 75.059 10.546 -15.187 783 HA GLU 94 HA GLU 94 75.281 11.834 -12.602 784 1HB GLU 94 HB2 GLU 94 72.963 11.524 -14.531 785 2HB GLU 94 HB1 GLU 94 72.889 12.494 -13.059 786 1HG GLU 94 HG2 GLU 94 74.703 13.912 -13.843 787 2HG GLU 94 HG1 GLU 94 74.931 12.892 -15.263 788 H VAL 95 HN VAL 95 74.636 11.052 -10.645 789 HA VAL 95 HA VAL 95 72.815 8.682 -10.621 790 HB VAL 95 HB VAL 95 75.142 7.959 -10.201 791 1HG1 VAL 95 HG11 VAL 95 75.352 10.407 -8.901 792 2HG1 VAL 95 HG12 VAL 95 76.556 9.118 -8.869 793 3HG1 VAL 95 HG13 VAL 95 75.359 9.239 -7.578 794 1HG2 VAL 95 HG21 VAL 95 73.755 7.912 -7.531 795 2HG2 VAL 95 HG22 VAL 95 74.624 6.616 -8.352 796 3HG2 VAL 95 HG23 VAL 95 73.023 7.095 -8.912 797 H ASN 96 HN ASN 96 71.650 8.446 -8.532 798 HA ASN 96 HA ASN 96 71.340 11.081 -7.147 799 1HB ASN 96 HB2 ASN 96 69.428 10.184 -8.692 800 2HB ASN 96 HB1 ASN 96 69.105 9.081 -7.354 801 1HD2 ASN 96 HD21 ASN 96 69.916 10.988 -5.249 802 2HD2 ASN 96 HD22 ASN 96 68.707 12.178 -5.184 803 HA PRO 97 HA PRO 97 72.418 7.940 -3.967 804 1HB PRO 97 HB2 PRO 97 74.344 9.434 -2.730 805 2HB PRO 97 HB1 PRO 97 74.664 8.414 -4.146 806 1HG PRO 97 HG2 PRO 97 74.426 11.342 -3.951 807 2HG PRO 97 HG1 PRO 97 75.320 10.351 -5.114 808 1HD PRO 97 HD2 PRO 97 72.853 11.646 -5.540 809 2HD PRO 97 HD1 PRO 97 73.629 10.459 -6.611 810 H GLN 98 HN GLN 98 73.084 8.871 -1.418 811 HA GLN 98 HA GLN 98 70.546 9.626 -0.363 812 1HB GLN 98 HB2 GLN 98 73.329 9.788 0.828 813 2HB GLN 98 HB1 GLN 98 71.856 10.104 1.746 814 1HG GLN 98 HG2 GLN 98 71.039 7.852 1.293 815 2HG GLN 98 HG1 GLN 98 72.430 7.525 0.260 816 1HE2 GLN 98 HE21 GLN 98 71.292 7.046 3.377 817 2HE2 GLN 98 HE22 GLN 98 72.776 6.840 4.174 818 H VAL 99 HN VAL 99 73.467 11.556 -1.033 819 HA VAL 99 HA VAL 99 71.757 13.998 -0.775 820 HB VAL 99 HB VAL 99 74.661 13.591 -0.021 821 1HG1 VAL 99 HG11 VAL 99 74.874 15.719 -0.838 822 2HG1 VAL 99 HG12 VAL 99 74.119 16.146 0.697 823 3HG1 VAL 99 HG13 VAL 99 73.139 16.030 -0.764 824 1HG2 VAL 99 HG21 VAL 99 72.840 14.947 1.832 825 2HG2 VAL 99 HG22 VAL 99 73.915 13.578 2.119 826 3HG2 VAL 99 HG23 VAL 99 72.311 13.312 1.437 827 H MET 100 HN MET 100 71.755 15.329 -2.547 828 HA MET 100 HA MET 100 73.384 14.477 -4.871 829 1HB MET 100 HB2 MET 100 71.138 16.502 -4.619 830 2HB MET 100 HB1 MET 100 71.940 16.071 -6.129 831 1HG MET 100 HG2 MET 100 71.248 13.716 -5.816 832 2HG MET 100 HG1 MET 100 70.420 14.164 -4.325 833 1HE MET 100 HE1 MET 100 68.860 17.070 -5.143 834 2HE MET 100 HE2 MET 100 68.795 15.712 -4.023 835 3HE MET 100 HE3 MET 100 67.437 16.019 -5.102 Start of MODEL 12 1 1H MET 1 HT1 MET 1 71.235 -4.052 1.425 2 2H MET 1 HT2 MET 1 72.145 -4.794 0.197 3 3H MET 1 HT3 MET 1 72.797 -4.625 1.756 4 HA MET 1 HA MET 1 72.144 -6.748 1.995 5 1HB MET 1 HB2 MET 1 69.512 -5.262 2.268 6 2HB MET 1 HB1 MET 1 69.828 -6.882 2.893 7 1HG MET 1 HG2 MET 1 71.592 -6.025 4.343 8 2HG MET 1 HG1 MET 1 71.406 -4.409 3.661 9 1HE MET 1 HE1 MET 1 68.300 -6.962 4.779 10 2HE MET 1 HE2 MET 1 68.772 -6.772 6.466 11 3HE MET 1 HE3 MET 1 69.955 -7.328 5.284 12 H GLY 2 HN GLY 2 69.044 -7.154 1.298 13 1HA GLY 2 HA2 GLY 2 67.820 -7.887 -0.597 14 2HA GLY 2 HA1 GLY 2 69.175 -7.403 -1.618 15 H GLN 3 HN GLN 3 70.335 -9.232 0.935 16 HA GLN 3 HA GLN 3 70.126 -11.759 -0.653 17 1HB GLN 3 HB2 GLN 3 72.557 -10.544 0.682 18 2HB GLN 3 HB1 GLN 3 72.486 -12.233 0.178 19 1HG GLN 3 HG2 GLN 3 72.033 -11.542 -2.137 20 2HG GLN 3 HG1 GLN 3 72.055 -9.848 -1.646 21 1HE2 GLN 3 HE21 GLN 3 73.983 -12.109 -3.102 22 2HE2 GLN 3 HE22 GLN 3 75.510 -11.525 -2.643 23 H GLU 4 HN GLU 4 70.119 -13.698 0.619 24 HA GLU 4 HA GLU 4 68.694 -13.622 3.042 25 1HB GLU 4 HB2 GLU 4 70.589 -15.710 1.938 26 2HB GLU 4 HB1 GLU 4 69.618 -15.967 3.388 27 1HG GLU 4 HG2 GLU 4 67.561 -15.591 2.121 28 2HG GLU 4 HG1 GLU 4 68.495 -15.225 0.670 29 H LEU 5 HN LEU 5 69.299 -12.893 5.016 30 HA LEU 5 HA LEU 5 71.878 -11.947 5.663 31 1HB LEU 5 HB2 LEU 5 69.643 -12.926 7.459 32 2HB LEU 5 HB1 LEU 5 71.093 -12.121 8.060 33 HG LEU 5 HG LEU 5 69.242 -10.926 5.980 34 1HD1 LEU 5 HD11 LEU 5 69.425 -10.389 8.961 35 2HD1 LEU 5 HD12 LEU 5 68.080 -11.179 8.139 36 3HD1 LEU 5 HD13 LEU 5 68.435 -9.482 7.817 37 1HD2 LEU 5 HD21 LEU 5 70.579 -8.873 7.158 38 2HD2 LEU 5 HD22 LEU 5 71.152 -9.691 5.704 39 3HD2 LEU 5 HD23 LEU 5 71.793 -10.146 7.284 40 H SER 6 HN SER 6 73.348 -13.634 4.957 41 HA SER 6 HA SER 6 73.287 -16.231 6.313 42 1HB SER 6 HB2 SER 6 75.039 -16.841 4.888 43 2HB SER 6 HB1 SER 6 74.183 -15.646 3.917 44 HG SER 6 HG SER 6 75.986 -14.582 3.921 45 H GLN 7 HN GLN 7 75.448 -16.952 7.382 46 HA GLN 7 HA GLN 7 75.886 -15.450 9.730 47 1HB GLN 7 HB2 GLN 7 77.705 -17.435 8.334 48 2HB GLN 7 HB1 GLN 7 77.982 -16.821 9.965 49 1HG GLN 7 HG2 GLN 7 75.829 -17.723 10.703 50 2HG GLN 7 HG1 GLN 7 75.480 -18.280 9.066 51 1HE2 GLN 7 HE21 GLN 7 76.184 -19.664 11.843 52 2HE2 GLN 7 HE22 GLN 7 77.296 -20.857 11.375 53 H HIS 8 HN HIS 8 77.803 -15.514 6.719 54 HA HIS 8 HA HIS 8 79.764 -13.617 7.623 55 1HB HIS 8 HB2 HIS 8 80.122 -15.107 5.675 56 2HB HIS 8 HB1 HIS 8 78.865 -14.239 4.792 57 HD2 HIS 8 HD2 HIS 8 79.673 -11.773 3.703 58 HE1 HIS 8 HE1 HIS 8 83.614 -11.823 5.222 59 HE2 HIS 8 HE2 HIS 8 82.010 -10.614 3.674 60 H GLU 9 HN GLU 9 76.719 -13.265 5.811 61 HA GLU 9 HA GLU 9 76.989 -10.437 5.369 62 1HB GLU 9 HB2 GLU 9 74.536 -12.215 5.506 63 2HB GLU 9 HB1 GLU 9 74.505 -10.529 4.990 64 1HG GLU 9 HG2 GLU 9 76.123 -11.061 3.190 65 2HG GLU 9 HG1 GLU 9 76.104 -12.753 3.689 66 H ARG 10 HN ARG 10 75.579 -12.359 7.989 67 HA ARG 10 HA ARG 10 74.437 -10.103 9.387 68 1HB ARG 10 HB2 ARG 10 75.180 -12.906 10.254 69 2HB ARG 10 HB1 ARG 10 74.439 -11.736 11.346 70 1HG ARG 10 HG2 ARG 10 72.528 -11.499 9.798 71 2HG ARG 10 HG1 ARG 10 73.264 -12.679 8.714 72 1HD ARG 10 HD2 ARG 10 72.609 -13.284 11.607 73 2HD ARG 10 HD1 ARG 10 71.498 -13.617 10.279 74 HE ARG 10 HE ARG 10 74.010 -14.785 9.636 75 1HH1 ARG 10 HH21 ARG 10 71.411 -15.025 11.887 76 2HH1 ARG 10 HH22 ARG 10 71.618 -16.726 12.149 77 1HH2 ARG 10 HH11 ARG 10 74.297 -17.004 9.964 78 2HH2 ARG 10 HH12 ARG 10 73.253 -17.846 11.060 79 H TYR 11 HN TYR 11 77.554 -11.789 9.544 80 HA TYR 11 HA TYR 11 78.548 -10.526 11.895 81 1HB TYR 11 HB2 TYR 11 79.689 -12.444 10.890 82 2HB TYR 11 HB1 TYR 11 80.044 -11.501 9.442 83 HD1 TYR 11 HD1 TYR 11 81.944 -10.094 9.338 84 HD2 TYR 11 HD2 TYR 11 80.637 -11.645 13.124 85 HE1 TYR 11 HE1 TYR 11 84.006 -9.225 10.406 86 HE2 TYR 11 HE2 TYR 11 82.699 -10.775 14.193 87 HH TYR 11 HH TYR 11 84.675 -8.515 12.803 88 H VAL 12 HN VAL 12 78.938 -9.603 8.456 89 HA VAL 12 HA VAL 12 80.365 -7.172 9.051 90 HB VAL 12 HB VAL 12 79.813 -6.559 6.701 91 1HG1 VAL 12 HG11 VAL 12 81.742 -7.896 6.856 92 2HG1 VAL 12 HG12 VAL 12 80.746 -8.778 5.699 93 3HG1 VAL 12 HG13 VAL 12 80.831 -9.313 7.378 94 1HG2 VAL 12 HG21 VAL 12 77.533 -7.474 6.633 95 2HG2 VAL 12 HG22 VAL 12 78.168 -9.109 6.825 96 3HG2 VAL 12 HG23 VAL 12 78.510 -8.196 5.355 97 H GLU 13 HN GLU 13 76.976 -8.024 8.921 98 HA GLU 13 HA GLU 13 75.922 -5.363 8.677 99 1HB GLU 13 HB2 GLU 13 74.584 -7.449 8.336 100 2HB GLU 13 HB1 GLU 13 74.669 -7.747 10.073 101 1HG GLU 13 HG2 GLU 13 73.536 -5.616 10.515 102 2HG GLU 13 HG1 GLU 13 73.488 -5.267 8.787 103 H GLN 14 HN GLN 14 76.803 -7.367 11.487 104 HA GLN 14 HA GLN 14 75.879 -5.492 13.463 105 1HB GLN 14 HB2 GLN 14 76.449 -7.904 13.911 106 2HB GLN 14 HB1 GLN 14 78.153 -7.484 13.725 107 1HG GLN 14 HG2 GLN 14 77.610 -7.431 16.091 108 2HG GLN 14 HG1 GLN 14 77.869 -5.775 15.542 109 1HE2 GLN 14 HE21 GLN 14 76.417 -4.663 16.935 110 2HE2 GLN 14 HE22 GLN 14 74.745 -4.958 16.972 111 H LEU 15 HN LEU 15 78.980 -5.944 11.793 112 HA LEU 15 HA LEU 15 80.463 -4.025 13.299 113 1HB LEU 15 HB2 LEU 15 81.591 -5.582 11.795 114 2HB LEU 15 HB1 LEU 15 80.749 -4.894 10.404 115 HG LEU 15 HG LEU 15 81.848 -2.738 10.766 116 1HD1 LEU 15 HD11 LEU 15 82.772 -4.126 13.258 117 2HD1 LEU 15 HD12 LEU 15 82.189 -2.475 13.050 118 3HD1 LEU 15 HD13 LEU 15 83.818 -2.906 12.530 119 1HD2 LEU 15 HD21 LEU 15 84.073 -4.746 10.996 120 2HD2 LEU 15 HD22 LEU 15 83.935 -3.357 9.918 121 3HD2 LEU 15 HD23 LEU 15 82.990 -4.812 9.606 122 H LYS 16 HN LYS 16 78.426 -3.724 10.406 123 HA LYS 16 HA LYS 16 78.961 -0.977 9.862 124 1HB LYS 16 HB2 LYS 16 77.746 -2.533 8.322 125 2HB LYS 16 HB1 LYS 16 76.359 -2.467 9.411 126 1HG LYS 16 HG2 LYS 16 76.208 -0.032 9.098 127 2HG LYS 16 HG1 LYS 16 77.615 -0.074 8.035 128 1HD LYS 16 HD2 LYS 16 76.396 -1.564 6.483 129 2HD LYS 16 HD1 LYS 16 74.984 -1.499 7.540 130 1HE LYS 16 HE2 LYS 16 74.818 0.925 7.214 131 2HE LYS 16 HE1 LYS 16 76.268 0.904 6.210 132 1HZ LYS 16 HZ1 LYS 16 74.439 -1.013 5.261 133 2HZ LYS 16 HZ2 LYS 16 75.047 0.359 4.466 134 3HZ LYS 16 HZ3 LYS 16 73.641 0.476 5.413 135 H GLN 17 HN GLN 17 76.616 -2.535 12.026 136 HA GLN 17 HA GLN 17 75.141 -0.224 12.752 137 1HB GLN 17 HB2 GLN 17 75.876 -2.680 14.370 138 2HB GLN 17 HB1 GLN 17 74.725 -1.458 14.915 139 1HG GLN 17 HG2 GLN 17 73.311 -1.868 12.964 140 2HG GLN 17 HG1 GLN 17 74.483 -3.023 12.330 141 1HE2 GLN 17 HE21 GLN 17 72.245 -4.331 12.566 142 2HE2 GLN 17 HE22 GLN 17 72.081 -5.191 14.019 143 H ALA 18 HN ALA 18 78.104 -1.593 14.200 144 HA ALA 18 HA ALA 18 78.430 0.418 16.202 145 1HB ALA 18 HB1 ALA 18 80.531 -0.517 16.576 146 2HB ALA 18 HB2 ALA 18 80.804 -0.845 14.866 147 3HB ALA 18 HB3 ALA 18 79.700 -1.861 15.793 148 H LEU 19 HN LEU 19 79.388 0.279 12.799 149 HA LEU 19 HA LEU 19 81.072 2.591 12.808 150 1HB LEU 19 HB2 LEU 19 79.383 1.348 10.621 151 2HB LEU 19 HB1 LEU 19 80.508 2.678 10.344 152 HG LEU 19 HG LEU 19 81.302 0.030 11.585 153 1HD1 LEU 19 HD11 LEU 19 82.487 0.387 9.039 154 2HD1 LEU 19 HD12 LEU 19 80.768 0.718 8.835 155 3HD1 LEU 19 HD13 LEU 19 81.294 -0.827 9.504 156 1HD2 LEU 19 HD21 LEU 19 83.531 1.194 10.488 157 2HD2 LEU 19 HD22 LEU 19 83.067 1.341 12.182 158 3HD2 LEU 19 HD23 LEU 19 82.633 2.609 11.036 159 H LYS 20 HN LYS 20 77.569 2.192 12.381 160 HA LYS 20 HA LYS 20 76.950 4.876 11.683 161 1HB LYS 20 HB2 LYS 20 75.367 2.814 13.243 162 2HB LYS 20 HB1 LYS 20 74.698 4.356 12.707 163 1HG LYS 20 HG2 LYS 20 75.200 3.783 10.371 164 2HG LYS 20 HG1 LYS 20 75.913 2.255 10.888 165 1HD LYS 20 HD2 LYS 20 73.758 1.532 11.807 166 2HD LYS 20 HD1 LYS 20 73.032 3.076 11.362 167 1HE LYS 20 HE2 LYS 20 73.572 2.607 8.976 168 2HE LYS 20 HE1 LYS 20 74.195 1.027 9.453 169 1HZ LYS 20 HZ1 LYS 20 71.923 0.832 8.723 170 2HZ LYS 20 HZ2 LYS 20 71.419 2.012 9.836 171 3HZ LYS 20 HZ3 LYS 20 72.004 0.516 10.387 172 H THR 21 HN THR 21 77.231 3.324 14.881 173 HA THR 21 HA THR 21 76.520 5.552 16.470 174 HB THR 21 HB THR 21 78.701 3.566 17.160 175 HG1 THR 21 HG1 THR 21 77.211 2.099 17.383 176 1HG2 THR 21 HG21 THR 21 76.671 4.493 19.112 177 2HG2 THR 21 HG22 THR 21 77.824 5.711 18.566 178 3HG2 THR 21 HG23 THR 21 78.401 4.227 19.325 179 H ARG 22 HN ARG 22 79.640 4.683 15.005 180 HA ARG 22 HA ARG 22 81.110 6.849 16.218 181 1HB ARG 22 HB2 ARG 22 81.618 5.250 13.690 182 2HB ARG 22 HB1 ARG 22 82.771 6.384 14.395 183 1HG ARG 22 HG2 ARG 22 82.767 5.078 16.495 184 2HG ARG 22 HG1 ARG 22 81.635 3.933 15.774 185 1HD ARG 22 HD2 ARG 22 83.277 3.382 14.030 186 2HD ARG 22 HD1 ARG 22 84.407 4.552 14.710 187 HE ARG 22 HE ARG 22 84.854 3.033 16.490 188 1HH1 ARG 22 HH21 ARG 22 82.212 2.067 14.495 189 2HH1 ARG 22 HH22 ARG 22 82.122 0.470 15.160 190 1HH2 ARG 22 HH11 ARG 22 84.750 0.953 17.369 191 2HH2 ARG 22 HH12 ARG 22 83.559 -0.160 16.786 192 H GLY 23 HN GLY 23 78.816 6.699 13.664 193 1HA GLY 23 HA2 GLY 23 77.866 8.841 12.880 194 2HA GLY 23 HA1 GLY 23 79.494 9.520 12.946 195 H VAL 24 HN VAL 24 78.150 6.529 11.511 196 HA VAL 24 HA VAL 24 79.388 7.382 8.923 197 HB VAL 24 HB VAL 24 79.236 4.637 10.189 198 1HG1 VAL 24 HG11 VAL 24 79.553 5.487 7.338 199 2HG1 VAL 24 HG12 VAL 24 78.773 4.049 7.998 200 3HG1 VAL 24 HG13 VAL 24 80.532 4.138 7.915 201 1HG2 VAL 24 HG21 VAL 24 81.558 4.754 10.307 202 2HG2 VAL 24 HG22 VAL 24 81.133 6.445 10.571 203 3HG2 VAL 24 HG23 VAL 24 81.669 5.908 8.978 204 H LYS 25 HN LYS 25 78.051 7.266 7.138 205 HA LYS 25 HA LYS 25 75.444 5.850 7.457 206 1HB LYS 25 HB2 LYS 25 75.871 8.690 6.483 207 2HB LYS 25 HB1 LYS 25 74.364 7.799 6.265 208 1HG LYS 25 HG2 LYS 25 74.189 7.501 8.714 209 2HG LYS 25 HG1 LYS 25 75.683 8.414 8.926 210 1HD LYS 25 HD2 LYS 25 74.651 10.389 7.901 211 2HD LYS 25 HD1 LYS 25 73.165 9.484 7.619 212 1HE LYS 25 HE2 LYS 25 72.931 9.131 10.063 213 2HE LYS 25 HE1 LYS 25 74.389 10.089 10.327 214 1HZ LYS 25 HZ1 LYS 25 72.541 11.451 8.648 215 2HZ LYS 25 HZ2 LYS 25 73.242 11.957 10.111 216 3HZ LYS 25 HZ3 LYS 25 71.818 11.031 10.123 217 H VAL 26 HN VAL 26 76.310 4.210 6.060 218 HA VAL 26 HA VAL 26 76.527 5.091 3.212 219 HB VAL 26 HB VAL 26 78.212 3.313 2.866 220 1HG1 VAL 26 HG11 VAL 26 80.046 4.375 4.235 221 2HG1 VAL 26 HG12 VAL 26 78.804 5.312 5.066 222 3HG1 VAL 26 HG13 VAL 26 79.061 5.528 3.335 223 1HG2 VAL 26 HG21 VAL 26 79.234 2.393 5.057 224 2HG2 VAL 26 HG22 VAL 26 77.699 1.702 4.529 225 3HG2 VAL 26 HG23 VAL 26 77.728 2.904 5.820 226 H LYS 27 HN LYS 27 76.023 3.253 1.684 227 HA LYS 27 HA LYS 27 73.571 1.935 2.547 228 1HB LYS 27 HB2 LYS 27 75.163 1.743 -0.028 229 2HB LYS 27 HB1 LYS 27 73.584 1.001 0.227 230 1HG LYS 27 HG2 LYS 27 72.593 3.205 0.657 231 2HG LYS 27 HG1 LYS 27 74.172 3.967 0.461 232 1HD LYS 27 HD2 LYS 27 74.275 3.119 -1.869 233 2HD LYS 27 HD1 LYS 27 72.668 2.418 -1.669 234 1HE LYS 27 HE2 LYS 27 71.728 4.645 -1.239 235 2HE LYS 27 HE1 LYS 27 73.332 5.364 -1.386 236 1HZ LYS 27 HZ1 LYS 27 73.162 3.982 -3.664 237 2HZ LYS 27 HZ2 LYS 27 72.726 5.618 -3.515 238 3HZ LYS 27 HZ3 LYS 27 71.535 4.409 -3.446 239 H TYR 28 HN TYR 28 73.250 -0.384 2.581 240 HA TYR 28 HA TYR 28 75.328 -1.847 3.877 241 1HB TYR 28 HB2 TYR 28 72.880 -2.871 2.403 242 2HB TYR 28 HB1 TYR 28 73.880 -3.831 3.495 243 HD1 TYR 28 HD1 TYR 28 74.016 -3.239 5.918 244 HD2 TYR 28 HD2 TYR 28 71.293 -1.272 3.239 245 HE1 TYR 28 HE1 TYR 28 72.732 -2.377 7.857 246 HE2 TYR 28 HE2 TYR 28 70.008 -0.411 5.178 247 HH TYR 28 HH TYR 28 70.143 -1.605 8.147 248 H ALA 29 HN ALA 29 74.353 -1.621 0.487 249 HA ALA 29 HA ALA 29 75.910 -3.754 -0.554 250 1HB ALA 29 HB1 ALA 29 75.064 -2.981 -2.493 251 2HB ALA 29 HB2 ALA 29 75.968 -1.476 -2.330 252 3HB ALA 29 HB3 ALA 29 74.369 -1.628 -1.602 253 H ASP 30 HN ASP 30 76.809 -0.490 0.428 254 HA ASP 30 HA ASP 30 79.376 -0.358 -0.773 255 1HB ASP 30 HB2 ASP 30 78.338 1.577 0.333 256 2HB ASP 30 HB1 ASP 30 78.462 0.764 1.893 257 H LEU 31 HN LEU 31 78.387 -1.681 2.390 258 HA LEU 31 HA LEU 31 81.012 -2.437 3.234 259 1HB LEU 31 HB2 LEU 31 78.234 -3.348 3.950 260 2HB LEU 31 HB1 LEU 31 79.640 -4.187 4.606 261 HG LEU 31 HG LEU 31 78.778 -2.328 6.075 262 1HD1 LEU 31 HD11 LEU 31 81.371 -3.082 5.489 263 2HD1 LEU 31 HD12 LEU 31 80.895 -2.049 6.836 264 3HD1 LEU 31 HD13 LEU 31 81.434 -1.327 5.320 265 1HD2 LEU 31 HD21 LEU 31 78.980 -0.061 5.393 266 2HD2 LEU 31 HD22 LEU 31 78.249 -0.876 4.009 267 3HD2 LEU 31 HD23 LEU 31 79.969 -0.486 3.997 268 H LEU 32 HN LEU 32 78.480 -4.255 1.496 269 HA LEU 32 HA LEU 32 79.966 -6.696 1.295 270 1HB LEU 32 HB2 LEU 32 77.780 -5.543 -0.462 271 2HB LEU 32 HB1 LEU 32 78.402 -7.187 -0.612 272 HG LEU 32 HG LEU 32 77.241 -6.051 1.947 273 1HD1 LEU 32 HD11 LEU 32 76.000 -7.529 -0.358 274 2HD1 LEU 32 HD12 LEU 32 75.360 -6.167 0.562 275 3HD1 LEU 32 HD13 LEU 32 75.384 -7.781 1.275 276 1HD2 LEU 32 HD21 LEU 32 77.038 -8.760 2.084 277 2HD2 LEU 32 HD22 LEU 32 78.418 -7.859 2.710 278 3HD2 LEU 32 HD23 LEU 32 78.502 -8.604 1.114 279 H LYS 33 HN LYS 33 79.689 -3.889 -0.888 280 HA LYS 33 HA LYS 33 81.396 -5.016 -2.924 281 1HB LYS 33 HB2 LYS 33 80.625 -2.151 -2.296 282 2HB LYS 33 HB1 LYS 33 81.547 -2.631 -3.721 283 1HG LYS 33 HG2 LYS 33 79.718 -4.047 -4.485 284 2HG LYS 33 HG1 LYS 33 78.806 -3.715 -3.013 285 1HD LYS 33 HD2 LYS 33 78.732 -1.314 -3.603 286 2HD LYS 33 HD1 LYS 33 79.619 -1.660 -5.088 287 1HE LYS 33 HE2 LYS 33 77.805 -3.131 -5.852 288 2HE LYS 33 HE1 LYS 33 76.921 -2.834 -4.355 289 1HZ LYS 33 HZ1 LYS 33 76.982 -1.276 -6.700 290 2HZ LYS 33 HZ2 LYS 33 77.600 -0.357 -5.413 291 3HZ LYS 33 HZ3 LYS 33 76.052 -1.049 -5.301 292 H PHE 34 HN PHE 34 81.967 -3.088 -0.025 293 HA PHE 34 HA PHE 34 84.643 -2.290 -0.553 294 1HB PHE 34 HB2 PHE 34 83.485 -1.361 1.347 295 2HB PHE 34 HB1 PHE 34 83.245 -2.960 2.050 296 HD1 PHE 34 HD1 PHE 34 86.095 -0.911 0.705 297 HD2 PHE 34 HD2 PHE 34 84.673 -3.542 3.788 298 HE1 PHE 34 HE1 PHE 34 88.279 -0.732 1.865 299 HE2 PHE 34 HE2 PHE 34 86.857 -3.363 4.948 300 HZ PHE 34 HZ PHE 34 88.661 -1.958 3.986 301 H PHE 35 HN PHE 35 83.419 -5.224 1.089 302 HA PHE 35 HA PHE 35 86.009 -6.378 1.516 303 1HB PHE 35 HB2 PHE 35 83.245 -7.594 1.308 304 2HB PHE 35 HB1 PHE 35 84.680 -8.546 1.689 305 HD1 PHE 35 HD1 PHE 35 86.234 -7.435 3.582 306 HD2 PHE 35 HD2 PHE 35 82.024 -6.736 3.093 307 HE1 PHE 35 HE1 PHE 35 86.077 -6.722 5.953 308 HE2 PHE 35 HE2 PHE 35 81.867 -6.024 5.464 309 HZ PHE 35 HZ PHE 35 83.893 -6.019 6.894 310 H ASP 36 HN ASP 36 83.642 -6.716 -1.124 311 HA ASP 36 HA ASP 36 85.083 -8.706 -2.586 312 1HB ASP 36 HB2 ASP 36 83.033 -6.630 -3.347 313 2HB ASP 36 HB1 ASP 36 83.796 -7.634 -4.581 314 H PHE 37 HN PHE 37 85.151 -5.148 -2.727 315 HA PHE 37 HA PHE 37 86.986 -4.935 -4.902 316 1HB PHE 37 HB2 PHE 37 85.679 -3.020 -4.027 317 2HB PHE 37 HB1 PHE 37 86.629 -3.062 -2.541 318 HD1 PHE 37 HD1 PHE 37 88.881 -2.214 -2.463 319 HD2 PHE 37 HD2 PHE 37 86.759 -2.433 -6.192 320 HE1 PHE 37 HE1 PHE 37 90.628 -0.822 -3.540 321 HE2 PHE 37 HE2 PHE 37 88.506 -1.041 -7.268 322 HZ PHE 37 HZ PHE 37 90.441 -0.237 -5.943 323 H VAL 38 HN VAL 38 87.536 -5.069 -1.379 324 HA VAL 38 HA VAL 38 90.359 -4.761 -1.451 325 HB VAL 38 HB VAL 38 88.640 -6.352 0.475 326 1HG1 VAL 38 HG11 VAL 38 91.538 -5.491 0.548 327 2HG1 VAL 38 HG12 VAL 38 90.880 -7.113 0.770 328 3HG1 VAL 38 HG13 VAL 38 90.638 -5.886 2.014 329 1HG2 VAL 38 HG21 VAL 38 88.279 -4.390 1.609 330 2HG2 VAL 38 HG22 VAL 38 88.534 -3.685 0.012 331 3HG2 VAL 38 HG23 VAL 38 89.857 -3.732 1.178 332 H LYS 39 HN LYS 39 88.384 -7.744 -1.527 333 HA LYS 39 HA LYS 39 90.635 -9.516 -1.786 334 1HB LYS 39 HB2 LYS 39 87.731 -9.851 -2.598 335 2HB LYS 39 HB1 LYS 39 88.920 -11.155 -2.600 336 1HG LYS 39 HG2 LYS 39 89.291 -10.855 -0.196 337 2HG LYS 39 HG1 LYS 39 88.159 -9.503 -0.174 338 1HD LYS 39 HD2 LYS 39 86.353 -11.025 -0.940 339 2HD LYS 39 HD1 LYS 39 87.489 -12.373 -0.886 340 1HE LYS 39 HE2 LYS 39 86.795 -10.628 1.494 341 2HE LYS 39 HE1 LYS 39 86.075 -12.205 1.173 342 1HZ LYS 39 HZ1 LYS 39 88.486 -11.655 2.451 343 2HZ LYS 39 HZ2 LYS 39 88.870 -12.412 0.978 344 3HZ LYS 39 HZ3 LYS 39 87.826 -13.173 2.082 345 H ASP 40 HN ASP 40 88.630 -7.779 -4.122 346 HA ASP 40 HA ASP 40 89.632 -9.078 -6.472 347 1HB ASP 40 HB2 ASP 40 88.500 -6.296 -6.061 348 2HB ASP 40 HB1 ASP 40 88.832 -7.003 -7.642 349 H THR 41 HN THR 41 91.058 -6.806 -4.309 350 HA THR 41 HA THR 41 92.726 -5.300 -6.013 351 HB THR 41 HB THR 41 93.687 -6.378 -3.362 352 HG1 THR 41 HG1 THR 41 91.856 -4.258 -3.803 353 1HG2 THR 41 HG21 THR 41 94.844 -4.302 -3.217 354 2HG2 THR 41 HG22 THR 41 93.895 -3.598 -4.527 355 3HG2 THR 41 HG23 THR 41 95.082 -4.856 -4.874 356 H CYS 42 HN CYS 42 93.692 -8.276 -4.256 357 HA CYS 42 HA CYS 42 95.791 -8.671 -6.340 358 1HB CYS 42 HB2 CYS 42 97.031 -8.834 -4.431 359 2HB CYS 42 HB1 CYS 42 95.625 -9.209 -3.436 360 HG CYS 42 HG CYS 42 97.110 -11.337 -5.185 361 HA PRO 43 HA PRO 43 93.793 -13.143 -5.412 362 1HB PRO 43 HB2 PRO 43 91.107 -11.976 -4.786 363 2HB PRO 43 HB1 PRO 43 91.864 -13.456 -4.166 364 1HG PRO 43 HG2 PRO 43 91.737 -11.192 -2.728 365 2HG PRO 43 HG1 PRO 43 93.081 -12.338 -2.593 366 1HD PRO 43 HD2 PRO 43 93.148 -9.609 -3.762 367 2HD PRO 43 HD1 PRO 43 94.455 -10.679 -3.206 368 H TRP 44 HN TRP 44 91.744 -10.469 -6.621 369 HA TRP 44 HA TRP 44 91.703 -11.807 -9.274 370 1HB TRP 44 HB2 TRP 44 89.197 -10.773 -7.914 371 2HB TRP 44 HB1 TRP 44 89.294 -11.561 -9.488 372 HD1 TRP 44 HD1 TRP 44 90.674 -14.109 -9.237 373 HE1 TRP 44 HE1 TRP 44 90.058 -15.969 -7.561 374 HE3 TRP 44 HE3 TRP 44 88.099 -11.366 -5.785 375 HZ2 TRP 44 HZ2 TRP 44 88.657 -16.254 -5.081 376 HZ3 TRP 44 HZ3 TRP 44 87.135 -12.455 -3.779 377 HH2 TRP 44 HH2 TRP 44 87.411 -14.892 -3.422 378 H PHE 45 HN PHE 45 89.554 -9.803 -10.025 379 HA PHE 45 HA PHE 45 90.384 -7.143 -9.572 380 1HB PHE 45 HB2 PHE 45 92.237 -8.588 -11.183 381 2HB PHE 45 HB1 PHE 45 91.406 -7.440 -12.233 382 HD1 PHE 45 HD1 PHE 45 91.074 -5.018 -11.188 383 HD2 PHE 45 HD2 PHE 45 94.071 -7.836 -9.952 384 HE1 PHE 45 HE1 PHE 45 92.422 -3.166 -10.235 385 HE2 PHE 45 HE2 PHE 45 95.419 -5.985 -8.999 386 HZ PHE 45 HZ PHE 45 94.594 -3.650 -9.140 387 HA PRO 46 HA PRO 46 87.918 -7.622 -13.822 388 1HB PRO 46 HB2 PRO 46 86.903 -10.377 -13.349 389 2HB PRO 46 HB1 PRO 46 87.451 -9.618 -14.855 390 1HG PRO 46 HG2 PRO 46 88.926 -11.437 -13.560 391 2HG PRO 46 HG1 PRO 46 89.652 -10.088 -14.452 392 1HD PRO 46 HD2 PRO 46 89.363 -10.466 -11.501 393 2HD PRO 46 HD1 PRO 46 90.637 -9.617 -12.405 394 H GLN 47 HN GLN 47 86.925 -9.204 -10.809 395 HA GLN 47 HA GLN 47 84.115 -8.735 -11.060 396 1HB GLN 47 HB2 GLN 47 85.833 -8.931 -8.567 397 2HB GLN 47 HB1 GLN 47 84.072 -9.018 -8.592 398 1HG GLN 47 HG2 GLN 47 85.921 -10.904 -10.083 399 2HG GLN 47 HG1 GLN 47 85.117 -11.275 -8.558 400 1HE2 GLN 47 HE21 GLN 47 84.802 -11.972 -11.725 401 2HE2 GLN 47 HE22 GLN 47 83.113 -12.043 -11.866 402 H GLU 48 HN GLU 48 82.966 -6.865 -10.880 403 HA GLU 48 HA GLU 48 84.111 -4.601 -9.346 404 1HB GLU 48 HB2 GLU 48 83.311 -4.471 -12.266 405 2HB GLU 48 HB1 GLU 48 83.562 -3.048 -11.254 406 1HG GLU 48 HG2 GLU 48 85.876 -3.789 -10.793 407 2HG GLU 48 HG1 GLU 48 85.626 -5.196 -11.827 408 H GLY 49 HN GLY 49 82.447 -2.868 -9.013 409 1HA GLY 49 HA2 GLY 49 79.652 -3.645 -9.539 410 2HA GLY 49 HA1 GLY 49 80.127 -3.608 -7.840 411 H THR 50 HN THR 50 78.144 -1.877 -8.701 412 HA THR 50 HA THR 50 79.096 0.688 -9.554 413 HB THR 50 HB THR 50 76.680 0.133 -7.808 414 HG1 THR 50 HG1 THR 50 76.991 0.067 -10.626 415 1HG2 THR 50 HG21 THR 50 77.795 2.513 -8.827 416 2HG2 THR 50 HG22 THR 50 76.202 2.310 -8.098 417 3HG2 THR 50 HG23 THR 50 76.399 2.160 -9.844 418 H ILE 51 HN ILE 51 80.168 2.243 -8.417 419 HA ILE 51 HA ILE 51 80.324 1.907 -5.448 420 HB ILE 51 HB ILE 51 82.376 2.506 -7.516 421 1HG1 ILE 51 HG12 ILE 51 82.053 0.430 -5.929 422 2HG1 ILE 51 HG11 ILE 51 83.676 1.053 -6.223 423 1HG2 ILE 51 HG21 ILE 51 82.202 3.913 -4.846 424 2HG2 ILE 51 HG22 ILE 51 82.472 4.624 -6.437 425 3HG2 ILE 51 HG23 ILE 51 83.740 3.665 -5.673 426 1HD1 ILE 51 HD11 ILE 51 83.785 2.113 -4.129 427 2HD1 ILE 51 HD12 ILE 51 82.947 0.606 -3.761 428 3HD1 ILE 51 HD13 ILE 51 82.033 2.105 -3.930 429 H ASP 52 HN ASP 52 79.629 3.625 -4.252 430 HA ASP 52 HA ASP 52 78.781 6.067 -5.700 431 1HB ASP 52 HB2 ASP 52 77.356 4.762 -3.953 432 2HB ASP 52 HB1 ASP 52 78.374 5.567 -2.759 433 H ILE 53 HN ILE 53 80.014 7.889 -5.644 434 HA ILE 53 HA ILE 53 82.579 8.097 -4.616 435 HB ILE 53 HB ILE 53 80.520 10.318 -4.797 436 1HG1 ILE 53 HG12 ILE 53 82.698 9.560 -6.760 437 2HG1 ILE 53 HG11 ILE 53 81.045 8.956 -6.889 438 1HG2 ILE 53 HG21 ILE 53 83.465 10.265 -4.249 439 2HG2 ILE 53 HG22 ILE 53 82.221 11.312 -3.566 440 3HG2 ILE 53 HG23 ILE 53 82.807 11.593 -5.206 441 1HD1 ILE 53 HD11 ILE 53 80.242 11.336 -6.888 442 2HD1 ILE 53 HD12 ILE 53 81.238 10.929 -8.285 443 3HD1 ILE 53 HD13 ILE 53 81.926 11.854 -6.952 444 H LYS 54 HN LYS 54 79.648 8.010 -2.824 445 HA LYS 54 HA LYS 54 80.508 9.444 -0.481 446 1HB LYS 54 HB2 LYS 54 78.471 7.228 -0.845 447 2HB LYS 54 HB1 LYS 54 78.697 8.117 0.661 448 1HG LYS 54 HG2 LYS 54 78.228 10.238 -0.540 449 2HG LYS 54 HG1 LYS 54 77.940 9.319 -2.019 450 1HD LYS 54 HD2 LYS 54 76.097 8.113 -0.934 451 2HD LYS 54 HD1 LYS 54 76.396 8.984 0.571 452 1HE LYS 54 HE2 LYS 54 75.910 11.121 -0.568 453 2HE LYS 54 HE1 LYS 54 75.603 10.248 -2.070 454 1HZ LYS 54 HZ1 LYS 54 73.852 9.005 -0.875 455 2HZ LYS 54 HZ2 LYS 54 73.533 10.670 -0.991 456 3HZ LYS 54 HZ3 LYS 54 74.090 10.008 0.472 457 H PHE 55 HN PHE 55 80.872 6.094 -1.558 458 HA PHE 55 HA PHE 55 82.072 5.279 0.998 459 1HB PHE 55 HB2 PHE 55 82.188 3.662 -1.541 460 2HB PHE 55 HB1 PHE 55 82.084 3.097 0.127 461 HD1 PHE 55 HD1 PHE 55 80.261 2.786 -2.587 462 HD2 PHE 55 HD2 PHE 55 79.908 4.788 1.198 463 HE1 PHE 55 HE1 PHE 55 77.789 2.696 -2.770 464 HE2 PHE 55 HE2 PHE 55 77.437 4.698 1.015 465 HZ PHE 55 HZ PHE 55 76.376 3.653 -0.969 466 H TRP 56 HN TRP 56 83.133 6.845 -1.819 467 HA TRP 56 HA TRP 56 85.721 5.747 -2.206 468 1HB TRP 56 HB2 TRP 56 84.985 7.317 -3.823 469 2HB TRP 56 HB1 TRP 56 84.600 8.524 -2.595 470 HD1 TRP 56 HD1 TRP 56 87.855 6.495 -3.066 471 HE1 TRP 56 HE1 TRP 56 89.816 8.157 -3.258 472 HE3 TRP 56 HE3 TRP 56 85.288 10.907 -2.931 473 HZ2 TRP 56 HZ2 TRP 56 90.240 10.985 -3.344 474 HZ3 TRP 56 HZ3 TRP 56 86.493 13.068 -3.069 475 HH2 TRP 56 HH2 TRP 56 88.963 13.113 -3.275 476 H ARG 57 HN ARG 57 84.662 8.373 -0.024 477 HA ARG 57 HA ARG 57 87.245 8.906 1.074 478 1HB ARG 57 HB2 ARG 57 84.454 9.262 2.191 479 2HB ARG 57 HB1 ARG 57 85.900 9.797 3.048 480 1HG ARG 57 HG2 ARG 57 86.127 11.608 1.720 481 2HG ARG 57 HG1 ARG 57 85.907 10.649 0.257 482 1HD ARG 57 HD2 ARG 57 84.105 12.315 0.481 483 2HD ARG 57 HD1 ARG 57 83.461 10.677 0.608 484 HE ARG 57 HE ARG 57 84.116 11.721 3.217 485 1HH1 ARG 57 HH21 ARG 57 81.859 11.853 0.613 486 2HH1 ARG 57 HH22 ARG 57 80.525 12.309 1.618 487 1HH2 ARG 57 HH11 ARG 57 82.386 12.314 4.543 488 2HH2 ARG 57 HH12 ARG 57 80.822 12.570 3.842 489 H ARG 58 HN ARG 58 84.658 6.682 2.115 490 HA ARG 58 HA ARG 58 85.987 5.747 4.469 491 1HB ARG 58 HB2 ARG 58 84.059 4.236 2.677 492 2HB ARG 58 HB1 ARG 58 84.444 3.847 4.354 493 1HG ARG 58 HG2 ARG 58 83.317 6.530 3.528 494 2HG ARG 58 HG1 ARG 58 82.292 5.172 3.992 495 1HD ARG 58 HD2 ARG 58 83.571 5.036 6.155 496 2HD ARG 58 HD1 ARG 58 84.404 6.520 5.695 497 HE ARG 58 HE ARG 58 81.468 6.685 5.670 498 1HH1 ARG 58 HH21 ARG 58 84.447 7.102 7.355 499 2HH1 ARG 58 HH22 ARG 58 83.803 8.250 8.481 500 1HH2 ARG 58 HH11 ARG 58 80.610 8.181 7.132 501 2HH2 ARG 58 HH12 ARG 58 81.630 8.861 8.355 502 H VAL 59 HN VAL 59 85.913 4.430 1.145 503 HA VAL 59 HA VAL 59 87.685 2.243 1.692 504 HB VAL 59 HB VAL 59 87.101 3.722 -0.891 505 1HG1 VAL 59 HG11 VAL 59 88.970 1.544 -0.222 506 2HG1 VAL 59 HG12 VAL 59 88.928 2.595 -1.637 507 3HG1 VAL 59 HG13 VAL 59 87.886 1.174 -1.563 508 1HG2 VAL 59 HG21 VAL 59 85.554 1.959 0.696 509 2HG2 VAL 59 HG22 VAL 59 86.111 1.016 -0.687 510 3HG2 VAL 59 HG23 VAL 59 85.203 2.506 -0.943 511 H GLY 60 HN GLY 60 88.265 5.532 0.442 512 1HA GLY 60 HA2 GLY 60 91.054 5.275 -0.005 513 2HA GLY 60 HA1 GLY 60 90.242 6.794 0.374 514 H ASP 61 HN ASP 61 89.319 6.374 2.925 515 HA ASP 61 HA ASP 61 91.699 6.714 4.501 516 1HB ASP 61 HB2 ASP 61 88.769 6.430 5.106 517 2HB ASP 61 HB1 ASP 61 89.936 6.348 6.426 518 H CYS 62 HN CYS 62 89.469 3.980 4.049 519 HA CYS 62 HA CYS 62 90.629 2.270 6.022 520 1HB CYS 62 HB2 CYS 62 89.216 1.592 3.424 521 2HB CYS 62 HB1 CYS 62 89.591 0.424 4.691 522 HG CYS 62 HG CYS 62 87.536 1.167 5.840 523 H PHE 63 HN PHE 63 91.253 2.514 2.506 524 HA PHE 63 HA PHE 63 93.336 0.555 2.461 525 1HB PHE 63 HB2 PHE 63 92.416 2.748 0.664 526 2HB PHE 63 HB1 PHE 63 94.051 2.136 0.408 527 HD1 PHE 63 HD1 PHE 63 90.899 0.433 1.511 528 HD2 PHE 63 HD2 PHE 63 94.009 0.698 -1.440 529 HE1 PHE 63 HE1 PHE 63 89.973 -1.557 0.357 530 HE2 PHE 63 HE2 PHE 63 93.084 -1.292 -2.594 531 HZ PHE 63 HZ PHE 63 91.065 -2.420 -1.696 532 H GLN 64 HN GLN 64 93.414 4.086 2.917 533 HA GLN 64 HA GLN 64 96.236 4.397 2.986 534 1HB GLN 64 HB2 GLN 64 94.495 6.245 2.978 535 2HB GLN 64 HB1 GLN 64 94.265 5.932 4.699 536 1HG GLN 64 HG2 GLN 64 95.865 7.695 4.590 537 2HG GLN 64 HG1 GLN 64 96.797 6.239 4.940 538 1HE2 GLN 64 HE21 GLN 64 98.755 6.914 3.880 539 2HE2 GLN 64 HE22 GLN 64 98.848 7.151 2.202 540 H ASP 65 HN ASP 65 93.946 3.389 5.495 541 HA ASP 65 HA ASP 65 95.770 3.477 7.695 542 1HB ASP 65 HB2 ASP 65 93.352 1.719 7.184 543 2HB ASP 65 HB1 ASP 65 94.208 1.792 8.725 544 H TYR 66 HN TYR 66 94.968 0.882 5.387 545 HA TYR 66 HA TYR 66 96.730 -1.065 6.569 546 1HB TYR 66 HB2 TYR 66 95.504 -0.787 3.818 547 2HB TYR 66 HB1 TYR 66 96.551 -2.139 4.251 548 HD1 TYR 66 HD1 TYR 66 93.214 -0.880 4.314 549 HD2 TYR 66 HD2 TYR 66 95.938 -3.445 6.425 550 HE1 TYR 66 HE1 TYR 66 91.299 -2.014 5.408 551 HE2 TYR 66 HE2 TYR 66 94.022 -4.578 7.519 552 HH TYR 66 HH TYR 66 90.667 -3.542 6.884 553 H TYR 67 HN TYR 67 97.157 1.455 4.130 554 HA TYR 67 HA TYR 67 99.712 0.633 3.161 555 1HB TYR 67 HB2 TYR 67 98.734 2.334 1.889 556 2HB TYR 67 HB1 TYR 67 98.265 3.265 3.313 557 HD1 TYR 67 HD1 TYR 67 99.658 4.976 4.146 558 HD2 TYR 67 HD2 TYR 67 101.244 2.099 1.380 559 HE1 TYR 67 HE1 TYR 67 101.754 6.292 3.980 560 HE2 TYR 67 HE2 TYR 67 103.340 3.414 1.214 561 HH TYR 67 HH TYR 67 103.640 6.506 2.070 562 H ASN 68 HN ASN 68 98.923 3.051 5.690 563 HA ASN 68 HA ASN 68 101.638 3.439 6.508 564 1HB ASN 68 HB2 ASN 68 99.000 3.852 7.934 565 2HB ASN 68 HB1 ASN 68 100.550 4.274 8.663 566 1HD2 ASN 68 HD21 ASN 68 98.325 6.103 7.746 567 2HD2 ASN 68 HD22 ASN 68 99.052 7.161 6.634 568 H THR 69 HN THR 69 99.174 1.091 7.445 569 HA THR 69 HA THR 69 100.587 0.066 9.741 570 HB THR 69 HB THR 69 98.645 -1.460 7.987 571 HG1 THR 69 HG1 THR 69 97.992 0.720 8.766 572 1HG2 THR 69 HG21 THR 69 98.071 -2.457 10.250 573 2HG2 THR 69 HG22 THR 69 99.494 -1.630 10.885 574 3HG2 THR 69 HG23 THR 69 99.673 -2.863 9.637 575 H PHE 70 HN PHE 70 100.363 -1.037 6.346 576 HA PHE 70 HA PHE 70 102.771 -2.735 6.876 577 1HB PHE 70 HB2 PHE 70 100.512 -3.118 4.888 578 2HB PHE 70 HB1 PHE 70 101.968 -4.114 4.941 579 HD1 PHE 70 HD1 PHE 70 98.748 -3.399 6.486 580 HD2 PHE 70 HD2 PHE 70 102.468 -5.493 6.969 581 HE1 PHE 70 HE1 PHE 70 97.734 -4.789 8.271 582 HE2 PHE 70 HE2 PHE 70 101.452 -6.884 8.754 583 HZ PHE 70 HZ PHE 70 99.085 -6.532 9.404 584 H GLY 71 HN GLY 71 101.110 -0.911 4.282 585 1HA GLY 71 HA2 GLY 71 102.746 0.889 3.327 586 2HA GLY 71 HA1 GLY 71 103.766 -0.511 2.991 587 HA PRO 72 HA PRO 72 101.074 0.240 -0.727 588 1HB PRO 72 HB2 PRO 72 103.512 -0.460 -2.202 589 2HB PRO 72 HB1 PRO 72 102.529 1.011 -2.298 590 1HG PRO 72 HG2 PRO 72 105.017 0.923 -1.210 591 2HG PRO 72 HG1 PRO 72 103.776 2.098 -0.747 592 1HD PRO 72 HD2 PRO 72 104.707 -0.332 0.701 593 2HD PRO 72 HD1 PRO 72 104.103 1.211 1.345 594 H GLU 73 HN GLU 73 103.182 -2.351 0.302 595 HA GLU 73 HA GLU 73 102.658 -4.311 -1.655 596 1HB GLU 73 HB2 GLU 73 103.017 -4.603 1.341 597 2HB GLU 73 HB1 GLU 73 102.993 -5.964 0.221 598 1HG GLU 73 HG2 GLU 73 104.915 -5.047 -0.985 599 2HG GLU 73 HG1 GLU 73 104.917 -3.627 0.061 600 H LYS 74 HN LYS 74 100.854 -3.761 1.394 601 HA LYS 74 HA LYS 74 98.748 -5.599 0.745 602 1HB LYS 74 HB2 LYS 74 98.770 -3.196 2.598 603 2HB LYS 74 HB1 LYS 74 97.486 -4.403 2.540 604 1HG LYS 74 HG2 LYS 74 100.398 -5.022 3.115 605 2HG LYS 74 HG1 LYS 74 99.147 -4.859 4.347 606 1HD LYS 74 HD2 LYS 74 97.882 -6.636 2.852 607 2HD LYS 74 HD1 LYS 74 99.514 -7.013 2.295 608 1HE LYS 74 HE2 LYS 74 100.236 -7.352 4.629 609 2HE LYS 74 HE1 LYS 74 98.607 -6.973 5.190 610 1HZ LYS 74 HZ1 LYS 74 99.127 -9.394 4.955 611 2HZ LYS 74 HZ2 LYS 74 99.193 -9.158 3.274 612 3HZ LYS 74 HZ3 LYS 74 97.747 -8.875 4.120 613 H VAL 75 HN VAL 75 99.215 -2.148 0.134 614 HA VAL 75 HA VAL 75 97.002 -2.276 -1.837 615 HB VAL 75 HB VAL 75 96.177 -0.032 -0.958 616 1HG1 VAL 75 HG11 VAL 75 95.920 -2.288 1.041 617 2HG1 VAL 75 HG12 VAL 75 95.119 -2.318 -0.529 618 3HG1 VAL 75 HG13 VAL 75 94.722 -1.058 0.639 619 1HG2 VAL 75 HG21 VAL 75 98.454 -0.264 0.647 620 2HG2 VAL 75 HG22 VAL 75 97.115 -0.594 1.747 621 3HG2 VAL 75 HG23 VAL 75 97.161 0.919 0.842 622 HA PRO 76 HA PRO 76 100.858 -0.198 -3.380 623 1HB PRO 76 HB2 PRO 76 99.762 -1.338 -5.894 624 2HB PRO 76 HB1 PRO 76 101.405 -1.436 -5.231 625 1HG PRO 76 HG2 PRO 76 99.799 -3.544 -5.205 626 2HG PRO 76 HG1 PRO 76 100.891 -3.205 -3.853 627 1HD PRO 76 HD2 PRO 76 97.939 -2.737 -4.052 628 2HD PRO 76 HD1 PRO 76 98.894 -3.324 -2.673 629 H VAL 77 HN VAL 77 101.031 1.675 -4.763 630 HA VAL 77 HA VAL 77 98.903 3.489 -4.744 631 HB VAL 77 HB VAL 77 101.246 3.263 -6.649 632 1HG1 VAL 77 HG11 VAL 77 100.650 5.788 -6.969 633 2HG1 VAL 77 HG12 VAL 77 99.038 5.299 -6.445 634 3HG1 VAL 77 HG13 VAL 77 99.752 4.580 -7.889 635 1HG2 VAL 77 HG21 VAL 77 100.746 5.258 -4.430 636 2HG2 VAL 77 HG22 VAL 77 102.269 4.896 -5.243 637 3HG2 VAL 77 HG23 VAL 77 101.556 3.718 -4.141 638 H THR 78 HN THR 78 99.178 0.678 -6.617 639 HA THR 78 HA THR 78 97.856 1.482 -9.025 640 HB THR 78 HB THR 78 99.047 -0.783 -8.359 641 HG1 THR 78 HG1 THR 78 98.438 -1.126 -10.318 642 1HG2 THR 78 HG21 THR 78 97.609 -2.516 -7.620 643 2HG2 THR 78 HG22 THR 78 96.163 -1.551 -7.914 644 3HG2 THR 78 HG23 THR 78 97.233 -1.151 -6.570 645 H ALA 79 HN ALA 79 96.670 0.617 -5.828 646 HA ALA 79 HA ALA 79 93.936 0.173 -6.486 647 1HB ALA 79 HB1 ALA 79 94.551 -0.398 -4.280 648 2HB ALA 79 HB2 ALA 79 93.577 1.058 -4.069 649 3HB ALA 79 HB3 ALA 79 95.336 1.157 -4.003 650 H PHE 80 HN PHE 80 95.684 3.174 -5.690 651 HA PHE 80 HA PHE 80 93.387 4.887 -5.793 652 1HB PHE 80 HB2 PHE 80 96.335 5.424 -6.235 653 2HB PHE 80 HB1 PHE 80 95.116 6.698 -6.201 654 HD1 PHE 80 HD1 PHE 80 94.116 7.422 -4.145 655 HD2 PHE 80 HD2 PHE 80 96.721 4.009 -4.210 656 HE1 PHE 80 HE1 PHE 80 94.190 7.432 -1.666 657 HE2 PHE 80 HE2 PHE 80 96.795 4.018 -1.731 658 HZ PHE 80 HZ PHE 80 95.529 5.730 -0.459 659 H SER 81 HN SER 81 95.788 3.966 -8.262 660 HA SER 81 HA SER 81 94.790 5.596 -10.363 661 1HB SER 81 HB2 SER 81 96.938 4.346 -10.470 662 2HB SER 81 HB1 SER 81 96.035 2.837 -10.582 663 HG SER 81 HG SER 81 95.594 3.264 -12.600 664 H TYR 82 HN TYR 82 93.925 2.260 -9.431 665 HA TYR 82 HA TYR 82 91.984 1.892 -11.512 666 1HB TYR 82 HB2 TYR 82 92.516 0.578 -8.861 667 2HB TYR 82 HB1 TYR 82 91.050 0.180 -9.755 668 HD1 TYR 82 HD1 TYR 82 94.386 -0.748 -9.268 669 HD2 TYR 82 HD2 TYR 82 91.494 -0.191 -12.394 670 HE1 TYR 82 HE1 TYR 82 95.690 -2.257 -10.743 671 HE2 TYR 82 HE2 TYR 82 92.797 -1.700 -13.869 672 HH TYR 82 HH TYR 82 94.498 -3.667 -13.442 673 H TRP 83 HN TRP 83 91.760 3.188 -8.216 674 HA TRP 83 HA TRP 83 88.896 3.427 -8.177 675 1HB TRP 83 HB2 TRP 83 90.733 3.705 -6.271 676 2HB TRP 83 HB1 TRP 83 90.614 5.404 -6.728 677 HD1 TRP 83 HD1 TRP 83 88.335 6.658 -6.279 678 HE1 TRP 83 HE1 TRP 83 86.299 6.089 -4.803 679 HE3 TRP 83 HE3 TRP 83 89.271 1.725 -5.346 680 HZ2 TRP 83 HZ2 TRP 83 85.211 3.841 -3.410 681 HZ3 TRP 83 HZ3 TRP 83 87.721 0.395 -3.943 682 HH2 TRP 83 HH2 TRP 83 85.694 1.445 -2.975 683 H ASN 84 HN ASN 84 91.492 5.574 -9.278 684 HA ASN 84 HA ASN 84 89.975 7.921 -9.704 685 1HB ASN 84 HB2 ASN 84 92.438 7.820 -9.945 686 2HB ASN 84 HB1 ASN 84 92.249 6.848 -11.404 687 1HD2 ASN 84 HD21 ASN 84 92.376 8.084 -13.276 688 2HD2 ASN 84 HD22 ASN 84 91.896 9.706 -13.414 689 H LEU 85 HN LEU 85 90.487 5.123 -11.851 690 HA LEU 85 HA LEU 85 88.938 6.123 -14.040 691 1HB LEU 85 HB2 LEU 85 89.530 3.284 -13.155 692 2HB LEU 85 HB1 LEU 85 88.759 3.700 -14.686 693 HG LEU 85 HG LEU 85 91.440 4.817 -13.834 694 1HD1 LEU 85 HD11 LEU 85 90.702 2.203 -14.998 695 2HD1 LEU 85 HD12 LEU 85 92.178 2.687 -14.161 696 3HD1 LEU 85 HD13 LEU 85 91.969 3.066 -15.870 697 1HD2 LEU 85 HD21 LEU 85 91.417 4.903 -16.514 698 2HD2 LEU 85 HD22 LEU 85 90.727 6.200 -15.538 699 3HD2 LEU 85 HD23 LEU 85 89.676 4.967 -16.238 700 H ILE 86 HN ILE 86 88.055 4.202 -11.181 701 HA ILE 86 HA ILE 86 85.331 3.736 -11.928 702 HB ILE 86 HB ILE 86 86.786 3.835 -9.288 703 1HG1 ILE 86 HG12 ILE 86 86.736 1.905 -11.127 704 2HG1 ILE 86 HG11 ILE 86 86.695 1.522 -9.406 705 1HG2 ILE 86 HG21 ILE 86 84.554 2.868 -8.391 706 2HG2 ILE 86 HG22 ILE 86 83.822 3.622 -9.808 707 3HG2 ILE 86 HG23 ILE 86 84.661 4.614 -8.615 708 1HD1 ILE 86 HD11 ILE 86 84.931 0.384 -10.909 709 2HD1 ILE 86 HD12 ILE 86 84.156 1.968 -10.976 710 3HD1 ILE 86 HD13 ILE 86 84.357 1.149 -9.427 711 H LYS 87 HN LYS 87 86.876 6.367 -10.088 712 HA LYS 87 HA LYS 87 84.505 7.764 -9.379 713 1HB LYS 87 HB2 LYS 87 86.798 8.277 -8.508 714 2HB LYS 87 HB1 LYS 87 87.195 8.981 -10.077 715 1HG LYS 87 HG2 LYS 87 85.403 10.627 -9.829 716 2HG LYS 87 HG1 LYS 87 84.914 9.896 -8.300 717 1HD LYS 87 HD2 LYS 87 87.131 10.421 -7.342 718 2HD LYS 87 HD1 LYS 87 87.608 11.169 -8.867 719 1HE LYS 87 HE2 LYS 87 85.748 12.790 -8.642 720 2HE LYS 87 HE1 LYS 87 85.309 12.058 -7.100 721 1HZ LYS 87 HZ1 LYS 87 87.605 13.733 -7.778 722 2HZ LYS 87 HZ2 LYS 87 87.841 12.512 -6.620 723 3HZ LYS 87 HZ3 LYS 87 86.662 13.708 -6.369 724 H GLU 88 HN GLU 88 86.506 7.934 -12.320 725 HA GLU 88 HA GLU 88 84.950 10.053 -13.528 726 1HB GLU 88 HB2 GLU 88 86.800 7.982 -14.748 727 2HB GLU 88 HB1 GLU 88 86.118 9.350 -15.628 728 1HG GLU 88 HG2 GLU 88 87.224 10.925 -14.144 729 2HG GLU 88 HG1 GLU 88 87.806 9.609 -13.124 730 H LEU 89 HN LEU 89 84.818 6.516 -13.616 731 HA LEU 89 HA LEU 89 82.916 6.299 -15.747 732 1HB LEU 89 HB2 LEU 89 83.649 4.496 -13.436 733 2HB LEU 89 HB1 LEU 89 82.394 4.055 -14.594 734 HG LEU 89 HG LEU 89 85.191 4.861 -15.426 735 1HD1 LEU 89 HD11 LEU 89 85.880 2.857 -14.650 736 2HD1 LEU 89 HD12 LEU 89 84.849 2.119 -15.876 737 3HD1 LEU 89 HD13 LEU 89 84.230 2.380 -14.245 738 1HD2 LEU 89 HD21 LEU 89 82.705 4.275 -16.788 739 2HD2 LEU 89 HD22 LEU 89 83.942 3.107 -17.254 740 3HD2 LEU 89 HD23 LEU 89 84.234 4.834 -17.468 741 H ILE 90 HN ILE 90 82.512 6.472 -12.206 742 HA ILE 90 HA ILE 90 79.603 6.388 -12.404 743 HB ILE 90 HB ILE 90 79.651 6.811 -9.987 744 1HG1 ILE 90 HG12 ILE 90 82.549 7.445 -10.571 745 2HG1 ILE 90 HG11 ILE 90 81.360 8.447 -9.737 746 1HG2 ILE 90 HG21 ILE 90 80.326 4.543 -11.066 747 2HG2 ILE 90 HG22 ILE 90 80.682 4.789 -9.356 748 3HG2 ILE 90 HG23 ILE 90 81.963 4.961 -10.556 749 1HD1 ILE 90 HD11 ILE 90 82.640 7.574 -7.968 750 2HD1 ILE 90 HD12 ILE 90 82.790 5.992 -8.735 751 3HD1 ILE 90 HD13 ILE 90 81.252 6.485 -8.025 752 H ASP 91 HN ASP 91 82.073 8.897 -11.967 753 HA ASP 91 HA ASP 91 80.314 11.073 -11.437 754 1HB ASP 91 HB2 ASP 91 82.759 11.237 -11.166 755 2HB ASP 91 HB1 ASP 91 82.965 11.088 -12.912 756 H LYS 92 HN LYS 92 81.568 9.806 -14.529 757 HA LYS 92 HA LYS 92 80.277 11.721 -16.205 758 1HB LYS 92 HB2 LYS 92 82.066 10.099 -16.924 759 2HB LYS 92 HB1 LYS 92 80.850 8.823 -16.880 760 1HG LYS 92 HG2 LYS 92 79.491 10.051 -18.529 761 2HG LYS 92 HG1 LYS 92 80.699 11.335 -18.572 762 1HD LYS 92 HD2 LYS 92 82.390 9.717 -19.363 763 2HD LYS 92 HD1 LYS 92 81.175 8.440 -19.337 764 1HE LYS 92 HE2 LYS 92 79.824 9.684 -20.984 765 2HE LYS 92 HE1 LYS 92 81.038 10.964 -21.013 766 1HZ LYS 92 HZ1 LYS 92 81.513 8.126 -21.749 767 2HZ LYS 92 HZ2 LYS 92 82.663 9.375 -21.801 768 3HZ LYS 92 HZ3 LYS 92 81.323 9.405 -22.845 769 H LYS 93 HN LYS 93 79.189 8.558 -14.981 770 HA LYS 93 HA LYS 93 76.657 8.656 -16.388 771 1HB LYS 93 HB2 LYS 93 77.483 7.044 -13.953 772 2HB LYS 93 HB1 LYS 93 76.038 6.761 -14.923 773 1HG LYS 93 HG2 LYS 93 78.715 6.849 -16.276 774 2HG LYS 93 HG1 LYS 93 78.233 5.388 -15.415 775 1HD LYS 93 HD2 LYS 93 76.133 5.322 -16.736 776 2HD LYS 93 HD1 LYS 93 76.668 6.746 -17.630 777 1HE LYS 93 HE2 LYS 93 78.593 5.545 -18.497 778 2HE LYS 93 HE1 LYS 93 78.217 4.144 -17.496 779 1HZ LYS 93 HZ1 LYS 93 75.912 4.684 -18.888 780 2HZ LYS 93 HZ2 LYS 93 77.003 3.415 -19.183 781 3HZ LYS 93 HZ3 LYS 93 77.152 4.882 -20.027 782 H GLU 94 HN GLU 94 74.614 9.243 -15.549 783 HA GLU 94 HA GLU 94 74.739 11.016 -13.158 784 1HB GLU 94 HB2 GLU 94 72.709 10.776 -15.399 785 2HB GLU 94 HB1 GLU 94 72.517 11.841 -14.006 786 1HG GLU 94 HG2 GLU 94 74.893 11.924 -15.886 787 2HG GLU 94 HG1 GLU 94 73.492 12.988 -16.018 788 H VAL 95 HN VAL 95 74.547 9.460 -11.495 789 HA VAL 95 HA VAL 95 72.205 7.638 -11.578 790 HB VAL 95 HB VAL 95 74.368 6.691 -10.878 791 1HG1 VAL 95 HG11 VAL 95 75.771 7.852 -9.555 792 2HG1 VAL 95 HG12 VAL 95 74.559 7.915 -8.275 793 3HG1 VAL 95 HG13 VAL 95 74.596 9.167 -9.517 794 1HG2 VAL 95 HG21 VAL 95 72.039 6.122 -9.784 795 2HG2 VAL 95 HG22 VAL 95 72.743 6.882 -8.356 796 3HG2 VAL 95 HG23 VAL 95 73.517 5.469 -9.075 797 H ASN 96 HN ASN 96 70.932 7.486 -9.464 798 HA ASN 96 HA ASN 96 70.639 10.197 -8.234 799 1HB ASN 96 HB2 ASN 96 68.818 9.451 -9.925 800 2HB ASN 96 HB1 ASN 96 68.314 8.325 -8.664 801 1HD2 ASN 96 HD21 ASN 96 66.267 9.687 -8.613 802 2HD2 ASN 96 HD22 ASN 96 66.271 11.119 -7.701 803 HA PRO 97 HA PRO 97 71.171 7.054 -4.909 804 1HB PRO 97 HB2 PRO 97 73.160 8.353 -3.569 805 2HB PRO 97 HB1 PRO 97 73.465 7.279 -4.948 806 1HG PRO 97 HG2 PRO 97 73.514 10.225 -4.807 807 2HG PRO 97 HG1 PRO 97 74.405 9.124 -5.870 808 1HD PRO 97 HD2 PRO 97 72.126 10.631 -6.557 809 2HD PRO 97 HD1 PRO 97 72.848 9.322 -7.517 810 H GLN 98 HN GLN 98 71.807 8.056 -2.348 811 HA GLN 98 HA GLN 98 69.283 9.123 -1.511 812 1HB GLN 98 HB2 GLN 98 71.959 9.002 -0.089 813 2HB GLN 98 HB1 GLN 98 70.445 9.462 0.690 814 1HG GLN 98 HG2 GLN 98 70.885 6.830 -0.747 815 2HG GLN 98 HG1 GLN 98 71.021 7.041 0.999 816 1HE2 GLN 98 HE21 GLN 98 68.909 5.785 -1.097 817 2HE2 GLN 98 HE22 GLN 98 67.433 6.242 -0.393 818 H VAL 99 HN VAL 99 72.471 10.640 -1.994 819 HA VAL 99 HA VAL 99 71.074 13.285 -1.944 820 HB VAL 99 HB VAL 99 73.796 12.533 -0.856 821 1HG1 VAL 99 HG11 VAL 99 72.686 15.155 -1.764 822 2HG1 VAL 99 HG12 VAL 99 74.348 14.568 -1.802 823 3HG1 VAL 99 HG13 VAL 99 73.648 15.137 -0.286 824 1HG2 VAL 99 HG21 VAL 99 71.841 14.193 0.641 825 2HG2 VAL 99 HG22 VAL 99 72.883 12.891 1.214 826 3HG2 VAL 99 HG23 VAL 99 71.378 12.512 0.377 827 H MET 100 HN MET 100 71.368 14.482 -3.775 828 HA MET 100 HA MET 100 73.058 13.369 -5.909 829 1HB MET 100 HB2 MET 100 70.782 14.294 -6.374 830 2HB MET 100 HB1 MET 100 71.369 15.889 -5.901 831 1HG MET 100 HG2 MET 100 73.054 15.825 -7.682 832 2HG MET 100 HG1 MET 100 72.530 14.204 -8.140 833 1HE MET 100 HE1 MET 100 71.135 17.772 -7.351 834 2HE MET 100 HE2 MET 100 70.579 18.231 -8.958 835 3HE MET 100 HE3 MET 100 72.278 17.843 -8.700 Start of MODEL 13 1 1H MET 1 HT1 MET 1 71.814 -4.735 -1.893 2 2H MET 1 HT2 MET 1 71.887 -4.425 -0.224 3 3H MET 1 HT3 MET 1 70.393 -4.750 -0.966 4 HA MET 1 HA MET 1 72.630 -6.622 -0.462 5 1HB MET 1 HB2 MET 1 70.886 -6.198 1.309 6 2HB MET 1 HB1 MET 1 69.672 -6.795 0.176 7 1HG MET 1 HG2 MET 1 70.767 -8.962 0.064 8 2HG MET 1 HG1 MET 1 72.103 -8.378 1.056 9 1HE MET 1 HE1 MET 1 68.515 -8.856 0.590 10 2HE MET 1 HE2 MET 1 68.074 -7.638 1.784 11 3HE MET 1 HE3 MET 1 67.817 -9.344 2.141 12 H GLY 2 HN GLY 2 69.538 -7.888 -1.102 13 1HA GLY 2 HA2 GLY 2 68.612 -8.955 -2.991 14 2HA GLY 2 HA1 GLY 2 69.791 -8.106 -3.991 15 H GLN 3 HN GLN 3 71.344 -9.640 -1.434 16 HA GLN 3 HA GLN 3 71.858 -12.074 -3.094 17 1HB GLN 3 HB2 GLN 3 73.884 -10.391 -1.587 18 2HB GLN 3 HB1 GLN 3 74.238 -11.944 -2.346 19 1HG GLN 3 HG2 GLN 3 73.133 -9.539 -3.824 20 2HG GLN 3 HG1 GLN 3 74.839 -9.985 -3.789 21 1HE2 GLN 3 HE21 GLN 3 72.290 -10.188 -5.812 22 2HE2 GLN 3 HE22 GLN 3 72.604 -11.678 -6.563 23 H GLU 4 HN GLU 4 72.512 -13.958 -1.832 24 HA GLU 4 HA GLU 4 71.033 -14.311 0.577 25 1HB GLU 4 HB2 GLU 4 73.364 -15.872 -0.571 26 2HB GLU 4 HB1 GLU 4 72.425 -16.401 0.825 27 1HG GLU 4 HG2 GLU 4 70.374 -16.394 -0.528 28 2HG GLU 4 HG1 GLU 4 71.285 -15.820 -1.925 29 H LEU 5 HN LEU 5 71.588 -14.019 2.716 30 HA LEU 5 HA LEU 5 74.075 -12.533 3.251 31 1HB LEU 5 HB2 LEU 5 71.705 -13.278 4.985 32 2HB LEU 5 HB1 LEU 5 73.108 -12.392 5.585 33 HG LEU 5 HG LEU 5 71.447 -11.491 3.218 34 1HD1 LEU 5 HD11 LEU 5 71.309 -10.727 6.147 35 2HD1 LEU 5 HD12 LEU 5 70.016 -11.406 5.159 36 3HD1 LEU 5 HD13 LEU 5 70.588 -9.765 4.857 37 1HD2 LEU 5 HD21 LEU 5 73.409 -10.316 2.980 38 2HD2 LEU 5 HD22 LEU 5 73.844 -10.496 4.679 39 3HD2 LEU 5 HD23 LEU 5 72.656 -9.285 4.197 40 H SER 6 HN SER 6 75.804 -13.956 3.256 41 HA SER 6 HA SER 6 75.615 -16.596 4.482 42 1HB SER 6 HB2 SER 6 78.131 -16.580 4.096 43 2HB SER 6 HB1 SER 6 77.146 -16.366 2.651 44 HG SER 6 HG SER 6 77.473 -13.974 3.595 45 H GLN 7 HN GLN 7 77.308 -17.183 6.222 46 HA GLN 7 HA GLN 7 76.758 -15.814 8.614 47 1HB GLN 7 HB2 GLN 7 79.186 -17.475 7.874 48 2HB GLN 7 HB1 GLN 7 78.796 -16.970 9.519 49 1HG GLN 7 HG2 GLN 7 76.657 -18.159 9.407 50 2HG GLN 7 HG1 GLN 7 76.978 -18.616 7.735 51 1HE2 GLN 7 HE21 GLN 7 76.650 -20.852 9.009 52 2HE2 GLN 7 HE22 GLN 7 78.085 -21.572 9.564 53 H HIS 8 HN HIS 8 79.536 -15.415 6.415 54 HA HIS 8 HA HIS 8 80.843 -13.401 7.995 55 1HB HIS 8 HB2 HIS 8 81.971 -14.670 6.179 56 2HB HIS 8 HB1 HIS 8 80.965 -13.837 4.995 57 HD2 HIS 8 HD2 HIS 8 82.047 -11.434 4.147 58 HE1 HIS 8 HE1 HIS 8 84.812 -10.888 7.293 59 HE2 HIS 8 HE2 HIS 8 83.977 -9.953 5.088 60 H GLU 9 HN GLU 9 78.646 -13.170 5.181 61 HA GLU 9 HA GLU 9 78.602 -10.326 5.046 62 1HB GLU 9 HB2 GLU 9 76.527 -12.398 4.284 63 2HB GLU 9 HB1 GLU 9 76.356 -10.680 3.924 64 1HG GLU 9 HG2 GLU 9 78.437 -10.714 2.634 65 2HG GLU 9 HG1 GLU 9 78.681 -12.414 3.039 66 H ARG 10 HN ARG 10 76.728 -12.612 6.996 67 HA ARG 10 HA ARG 10 74.821 -10.764 8.033 68 1HB ARG 10 HB2 ARG 10 76.017 -13.308 9.149 69 2HB ARG 10 HB1 ARG 10 74.775 -12.397 10.010 70 1HG ARG 10 HG2 ARG 10 73.266 -12.598 8.078 71 2HG ARG 10 HG1 ARG 10 74.508 -13.482 7.189 72 1HD ARG 10 HD2 ARG 10 74.488 -15.242 8.933 73 2HD ARG 10 HD1 ARG 10 73.214 -14.369 9.786 74 HE ARG 10 HE ARG 10 72.483 -14.914 7.032 75 1HH1 ARG 10 HH21 ARG 10 72.771 -16.199 10.219 76 2HH1 ARG 10 HH22 ARG 10 71.537 -17.394 9.991 77 1HH2 ARG 10 HH11 ARG 10 70.870 -16.466 6.719 78 2HH2 ARG 10 HH12 ARG 10 70.460 -17.545 8.010 79 H TYR 11 HN TYR 11 78.065 -11.679 9.197 80 HA TYR 11 HA TYR 11 78.051 -10.112 11.570 81 1HB TYR 11 HB2 TYR 11 79.812 -11.768 11.055 82 2HB TYR 11 HB1 TYR 11 80.388 -10.742 9.741 83 HD1 TYR 11 HD1 TYR 11 81.984 -9.074 10.164 84 HD2 TYR 11 HD2 TYR 11 79.697 -10.688 13.422 85 HE1 TYR 11 HE1 TYR 11 83.365 -7.786 11.773 86 HE2 TYR 11 HE2 TYR 11 81.077 -9.400 15.030 87 HH TYR 11 HH TYR 11 82.640 -7.818 15.253 88 H VAL 12 HN VAL 12 78.725 -9.247 8.204 89 HA VAL 12 HA VAL 12 79.782 -6.642 8.673 90 HB VAL 12 HB VAL 12 78.058 -7.561 6.350 91 1HG1 VAL 12 HG11 VAL 12 78.247 -5.203 6.224 92 2HG1 VAL 12 HG12 VAL 12 79.540 -5.798 5.183 93 3HG1 VAL 12 HG13 VAL 12 79.910 -5.221 6.808 94 1HG2 VAL 12 HG21 VAL 12 80.079 -8.993 6.836 95 2HG2 VAL 12 HG22 VAL 12 81.080 -7.556 6.620 96 3HG2 VAL 12 HG23 VAL 12 80.137 -8.185 5.268 97 H GLU 13 HN GLU 13 76.424 -7.748 8.220 98 HA GLU 13 HA GLU 13 75.172 -5.208 8.308 99 1HB GLU 13 HB2 GLU 13 74.002 -7.335 7.745 100 2HB GLU 13 HB1 GLU 13 74.109 -7.814 9.440 101 1HG GLU 13 HG2 GLU 13 72.788 -5.868 10.109 102 2HG GLU 13 HG1 GLU 13 72.738 -5.301 8.439 103 H GLN 14 HN GLN 14 75.903 -7.460 10.997 104 HA GLN 14 HA GLN 14 74.917 -5.755 13.067 105 1HB GLN 14 HB2 GLN 14 75.480 -8.163 13.389 106 2HB GLN 14 HB1 GLN 14 77.189 -7.761 13.224 107 1HG GLN 14 HG2 GLN 14 77.101 -6.334 15.187 108 2HG GLN 14 HG1 GLN 14 75.355 -6.549 15.311 109 1HE2 GLN 14 HE21 GLN 14 77.148 -7.287 17.449 110 2HE2 GLN 14 HE22 GLN 14 77.088 -8.976 17.622 111 H LEU 15 HN LEU 15 78.080 -5.998 11.482 112 HA LEU 15 HA LEU 15 79.493 -4.229 13.212 113 1HB LEU 15 HB2 LEU 15 80.621 -5.626 11.517 114 2HB LEU 15 HB1 LEU 15 79.866 -4.679 10.233 115 HG LEU 15 HG LEU 15 80.993 -2.646 11.073 116 1HD1 LEU 15 HD11 LEU 15 81.805 -4.565 13.213 117 2HD1 LEU 15 HD12 LEU 15 81.382 -2.858 13.338 118 3HD1 LEU 15 HD13 LEU 15 82.972 -3.330 12.737 119 1HD2 LEU 15 HD21 LEU 15 83.079 -3.138 10.121 120 2HD2 LEU 15 HD22 LEU 15 82.062 -4.420 9.461 121 3HD2 LEU 15 HD23 LEU 15 83.127 -4.754 10.827 122 H LYS 16 HN LYS 16 77.575 -3.620 10.278 123 HA LYS 16 HA LYS 16 78.053 -0.816 10.114 124 1HB LYS 16 HB2 LYS 16 76.974 -2.164 8.317 125 2HB LYS 16 HB1 LYS 16 75.538 -2.323 9.331 126 1HG LYS 16 HG2 LYS 16 75.236 0.104 9.344 127 2HG LYS 16 HG1 LYS 16 76.719 0.315 8.413 128 1HD LYS 16 HD2 LYS 16 75.735 -0.976 6.551 129 2HD LYS 16 HD1 LYS 16 74.247 -1.172 7.478 130 1HE LYS 16 HE2 LYS 16 73.950 1.273 7.535 131 2HE LYS 16 HE1 LYS 16 75.445 1.480 6.622 132 1HZ LYS 16 HZ1 LYS 16 72.847 0.885 5.672 133 2HZ LYS 16 HZ2 LYS 16 73.925 -0.347 5.215 134 3HZ LYS 16 HZ3 LYS 16 74.244 1.266 4.789 135 H GLN 17 HN GLN 17 75.683 -2.694 11.968 136 HA GLN 17 HA GLN 17 74.065 -0.543 12.863 137 1HB GLN 17 HB2 GLN 17 74.851 -3.110 14.275 138 2HB GLN 17 HB1 GLN 17 73.585 -2.019 14.838 139 1HG GLN 17 HG2 GLN 17 72.318 -2.344 12.791 140 2HG GLN 17 HG1 GLN 17 73.622 -3.305 12.094 141 1HE2 GLN 17 HE21 GLN 17 71.534 -4.839 12.028 142 2HE2 GLN 17 HE22 GLN 17 71.369 -5.877 13.361 143 H ALA 18 HN ALA 18 76.996 -1.953 14.344 144 HA ALA 18 HA ALA 18 77.092 -0.037 16.498 145 1HB ALA 18 HB1 ALA 18 79.570 -0.825 16.551 146 2HB ALA 18 HB2 ALA 18 79.075 -1.968 15.303 147 3HB ALA 18 HB3 ALA 18 78.314 -2.014 16.893 148 H LEU 19 HN LEU 19 78.555 -0.183 13.269 149 HA LEU 19 HA LEU 19 80.254 2.102 13.581 150 1HB LEU 19 HB2 LEU 19 80.330 0.388 11.701 151 2HB LEU 19 HB1 LEU 19 78.935 1.213 11.005 152 HG LEU 19 HG LEU 19 80.283 3.357 11.093 153 1HD1 LEU 19 HD11 LEU 19 82.269 1.387 12.131 154 2HD1 LEU 19 HD12 LEU 19 82.055 3.088 12.541 155 3HD1 LEU 19 HD13 LEU 19 82.866 2.637 11.041 156 1HD2 LEU 19 HD21 LEU 19 81.423 1.078 9.441 157 2HD2 LEU 19 HD22 LEU 19 81.595 2.796 9.082 158 3HD2 LEU 19 HD23 LEU 19 80.005 2.036 9.014 159 H LYS 20 HN LYS 20 76.888 1.747 12.495 160 HA LYS 20 HA LYS 20 76.485 4.473 11.740 161 1HB LYS 20 HB2 LYS 20 74.911 2.623 11.188 162 2HB LYS 20 HB1 LYS 20 74.459 2.530 12.890 163 1HG LYS 20 HG2 LYS 20 73.649 4.839 12.835 164 2HG LYS 20 HG1 LYS 20 74.170 5.002 11.158 165 1HD LYS 20 HD2 LYS 20 72.611 3.212 10.492 166 2HD LYS 20 HD1 LYS 20 72.090 3.041 12.168 167 1HE LYS 20 HE2 LYS 20 71.293 5.369 12.173 168 2HE LYS 20 HE1 LYS 20 71.831 5.563 10.504 169 1HZ LYS 20 HZ1 LYS 20 70.285 3.285 10.534 170 2HZ LYS 20 HZ2 LYS 20 69.859 4.800 9.891 171 3HZ LYS 20 HZ3 LYS 20 69.437 4.402 11.488 172 H THR 21 HN THR 21 76.209 2.799 14.851 173 HA THR 21 HA THR 21 75.050 4.977 16.305 174 HB THR 21 HB THR 21 75.792 3.789 18.305 175 HG1 THR 21 HG1 THR 21 77.517 2.595 16.440 176 1HG2 THR 21 HG21 THR 21 75.247 1.327 17.052 177 2HG2 THR 21 HG22 THR 21 74.402 2.543 16.095 178 3HG2 THR 21 HG23 THR 21 74.085 2.405 17.825 179 H ARG 22 HN ARG 22 78.148 4.577 14.939 180 HA ARG 22 HA ARG 22 79.460 6.399 16.866 181 1HB ARG 22 HB2 ARG 22 80.446 4.980 14.374 182 2HB ARG 22 HB1 ARG 22 81.445 6.072 15.335 183 1HG ARG 22 HG2 ARG 22 81.113 4.658 17.318 184 2HG ARG 22 HG1 ARG 22 80.082 3.575 16.384 185 1HD ARG 22 HD2 ARG 22 81.972 3.090 14.865 186 2HD ARG 22 HD1 ARG 22 83.004 4.154 15.818 187 HE ARG 22 HE ARG 22 81.770 2.077 17.436 188 1HH1 ARG 22 HH21 ARG 22 84.316 2.890 15.257 189 2HH1 ARG 22 HH22 ARG 22 85.398 1.679 15.861 190 1HH2 ARG 22 HH11 ARG 22 83.168 0.493 18.236 191 2HH2 ARG 22 HH12 ARG 22 84.748 0.323 17.547 192 H GLY 23 HN GLY 23 77.304 6.878 14.507 193 1HA GLY 23 HA2 GLY 23 76.719 9.043 13.643 194 2HA GLY 23 HA1 GLY 23 78.379 9.575 13.925 195 H VAL 24 HN VAL 24 77.372 6.621 12.245 196 HA VAL 24 HA VAL 24 78.640 7.736 9.773 197 HB VAL 24 HB VAL 24 78.613 4.914 10.873 198 1HG1 VAL 24 HG11 VAL 24 79.196 5.971 8.114 199 2HG1 VAL 24 HG12 VAL 24 78.281 4.537 8.580 200 3HG1 VAL 24 HG13 VAL 24 80.039 4.543 8.714 201 1HG2 VAL 24 HG21 VAL 24 81.174 5.714 10.045 202 2HG2 VAL 24 HG22 VAL 24 80.596 5.600 11.707 203 3HG2 VAL 24 HG23 VAL 24 80.492 7.133 10.841 204 H LYS 25 HN LYS 25 77.381 7.722 7.946 205 HA LYS 25 HA LYS 25 74.884 6.083 8.005 206 1HB LYS 25 HB2 LYS 25 75.159 8.982 7.148 207 2HB LYS 25 HB1 LYS 25 73.716 7.999 6.896 208 1HG LYS 25 HG2 LYS 25 73.505 7.657 9.322 209 2HG LYS 25 HG1 LYS 25 74.968 8.606 9.592 210 1HD LYS 25 HD2 LYS 25 73.887 10.575 8.577 211 2HD LYS 25 HD1 LYS 25 72.423 9.631 8.296 212 1HE LYS 25 HE2 LYS 25 72.195 9.253 10.724 213 2HE LYS 25 HE1 LYS 25 73.657 10.197 11.008 214 1HZ LYS 25 HZ1 LYS 25 71.167 11.207 10.968 215 2HZ LYS 25 HZ2 LYS 25 71.679 11.523 9.379 216 3HZ LYS 25 HZ3 LYS 25 72.575 12.113 10.697 217 H VAL 26 HN VAL 26 75.655 4.567 6.514 218 HA VAL 26 HA VAL 26 76.126 5.628 3.768 219 HB VAL 26 HB VAL 26 77.881 3.871 3.461 220 1HG1 VAL 26 HG11 VAL 26 78.511 6.194 4.000 221 2HG1 VAL 26 HG12 VAL 26 79.627 5.055 4.753 222 3HG1 VAL 26 HG13 VAL 26 78.377 5.834 5.722 223 1HG2 VAL 26 HG21 VAL 26 77.551 3.578 6.465 224 2HG2 VAL 26 HG22 VAL 26 78.827 2.830 5.505 225 3HG2 VAL 26 HG23 VAL 26 77.146 2.358 5.259 226 H LYS 27 HN LYS 27 75.724 3.941 2.095 227 HA LYS 27 HA LYS 27 73.321 2.432 2.732 228 1HB LYS 27 HB2 LYS 27 75.047 2.511 0.238 229 2HB LYS 27 HB1 LYS 27 73.499 1.673 0.354 230 1HG LYS 27 HG2 LYS 27 72.397 3.814 0.945 231 2HG LYS 27 HG1 LYS 27 73.945 4.643 0.775 232 1HD LYS 27 HD2 LYS 27 74.065 3.890 -1.591 233 2HD LYS 27 HD1 LYS 27 72.479 3.139 -1.413 234 1HE LYS 27 HE2 LYS 27 73.000 6.079 -0.898 235 2HE LYS 27 HE1 LYS 27 72.427 5.446 -2.442 236 1HZ LYS 27 HZ1 LYS 27 70.639 4.323 -0.984 237 2HZ LYS 27 HZ2 LYS 27 70.480 5.972 -1.363 238 3HZ LYS 27 HZ3 LYS 27 71.058 5.500 0.163 239 H TYR 28 HN TYR 28 73.113 0.171 2.877 240 HA TYR 28 HA TYR 28 75.319 -1.275 3.970 241 1HB TYR 28 HB2 TYR 28 73.006 -1.931 4.431 242 2HB TYR 28 HB1 TYR 28 72.747 -2.299 2.725 243 HD1 TYR 28 HD1 TYR 28 74.847 -3.224 5.676 244 HD2 TYR 28 HD2 TYR 28 73.292 -4.423 1.854 245 HE1 TYR 28 HE1 TYR 28 75.730 -5.513 6.034 246 HE2 TYR 28 HE2 TYR 28 74.175 -6.713 2.215 247 HH TYR 28 HH TYR 28 75.829 -7.588 5.248 248 H ALA 29 HN ALA 29 73.998 -1.086 0.688 249 HA ALA 29 HA ALA 29 75.447 -3.198 -0.506 250 1HB ALA 29 HB1 ALA 29 74.620 -2.365 -2.452 251 2HB ALA 29 HB2 ALA 29 75.279 -0.759 -2.147 252 3HB ALA 29 HB3 ALA 29 73.745 -1.236 -1.418 253 H ASP 30 HN ASP 30 76.469 0.066 0.370 254 HA ASP 30 HA ASP 30 78.949 0.076 -1.053 255 1HB ASP 30 HB2 ASP 30 78.076 1.468 1.493 256 2HB ASP 30 HB1 ASP 30 79.632 1.764 0.718 257 H LEU 31 HN LEU 31 78.054 -1.138 2.159 258 HA LEU 31 HA LEU 31 80.685 -1.751 3.068 259 1HB LEU 31 HB2 LEU 31 77.945 -2.821 3.700 260 2HB LEU 31 HB1 LEU 31 79.372 -3.601 4.382 261 HG LEU 31 HG LEU 31 78.393 -1.812 5.857 262 1HD1 LEU 31 HD11 LEU 31 80.478 -1.374 6.655 263 2HD1 LEU 31 HD12 LEU 31 81.019 -0.685 5.124 264 3HD1 LEU 31 HD13 LEU 31 81.019 -2.434 5.352 265 1HD2 LEU 31 HD21 LEU 31 77.826 -0.362 3.795 266 2HD2 LEU 31 HD22 LEU 31 79.520 0.128 3.832 267 3HD2 LEU 31 HD23 LEU 31 78.472 0.471 5.209 268 H LEU 32 HN LEU 32 78.339 -3.697 1.218 269 HA LEU 32 HA LEU 32 79.966 -6.048 1.052 270 1HB LEU 32 HB2 LEU 32 77.813 -4.989 -0.802 271 2HB LEU 32 HB1 LEU 32 78.524 -6.598 -0.928 272 HG LEU 32 HG LEU 32 77.158 -5.534 1.560 273 1HD1 LEU 32 HD11 LEU 32 75.271 -5.872 0.335 274 2HD1 LEU 32 HD12 LEU 32 75.602 -7.581 0.617 275 3HD1 LEU 32 HD13 LEU 32 76.121 -6.819 -0.887 276 1HD2 LEU 32 HD21 LEU 32 77.118 -8.207 1.796 277 2HD2 LEU 32 HD22 LEU 32 78.484 -7.244 2.358 278 3HD2 LEU 32 HD23 LEU 32 78.560 -8.055 0.794 279 H LYS 33 HN LYS 33 79.665 -3.200 -1.066 280 HA LYS 33 HA LYS 33 81.430 -4.132 -3.111 281 1HB LYS 33 HB2 LYS 33 80.772 -1.321 -2.182 282 2HB LYS 33 HB1 LYS 33 81.705 -1.684 -3.635 283 1HG LYS 33 HG2 LYS 33 79.828 -2.935 -4.572 284 2HG LYS 33 HG1 LYS 33 78.895 -2.688 -3.096 285 1HD LYS 33 HD2 LYS 33 78.891 -0.272 -3.460 286 2HD LYS 33 HD1 LYS 33 79.914 -0.462 -4.884 287 1HE LYS 33 HE2 LYS 33 78.160 -1.765 -5.999 288 2HE LYS 33 HE1 LYS 33 77.139 -1.644 -4.565 289 1HZ LYS 33 HZ1 LYS 33 77.417 0.856 -4.857 290 2HZ LYS 33 HZ2 LYS 33 76.396 0.050 -5.950 291 3HZ LYS 33 HZ3 LYS 33 77.965 0.501 -6.422 292 H PHE 34 HN PHE 34 82.022 -2.410 -0.067 293 HA PHE 34 HA PHE 34 84.766 -1.801 -0.473 294 1HB PHE 34 HB2 PHE 34 83.621 -0.857 1.424 295 2HB PHE 34 HB1 PHE 34 83.227 -2.458 2.053 296 HD1 PHE 34 HD1 PHE 34 84.529 -3.194 3.829 297 HD2 PHE 34 HD2 PHE 34 86.290 -0.619 0.876 298 HE1 PHE 34 HE1 PHE 34 86.675 -3.238 5.070 299 HE2 PHE 34 HE2 PHE 34 88.435 -0.663 2.116 300 HZ PHE 34 HZ PHE 34 88.629 -1.972 4.213 301 H PHE 35 HN PHE 35 83.284 -4.684 1.046 302 HA PHE 35 HA PHE 35 85.750 -6.047 1.522 303 1HB PHE 35 HB2 PHE 35 82.897 -6.972 1.189 304 2HB PHE 35 HB1 PHE 35 84.207 -8.127 1.431 305 HD1 PHE 35 HD1 PHE 35 81.876 -5.993 3.055 306 HD2 PHE 35 HD2 PHE 35 85.838 -7.612 3.427 307 HE1 PHE 35 HE1 PHE 35 81.835 -5.537 5.493 308 HE2 PHE 35 HE2 PHE 35 85.795 -7.156 5.864 309 HZ PHE 35 HZ PHE 35 83.794 -6.118 6.897 310 H ASP 36 HN ASP 36 83.511 -6.105 -1.249 311 HA ASP 36 HA ASP 36 84.899 -8.122 -2.728 312 1HB ASP 36 HB2 ASP 36 82.589 -7.276 -3.245 313 2HB ASP 36 HB1 ASP 36 83.319 -5.790 -3.852 314 H PHE 37 HN PHE 37 85.262 -4.594 -2.587 315 HA PHE 37 HA PHE 37 87.181 -4.379 -4.704 316 1HB PHE 37 HB2 PHE 37 86.024 -2.408 -3.829 317 2HB PHE 37 HB1 PHE 37 86.773 -2.642 -2.249 318 HD1 PHE 37 HD1 PHE 37 87.802 -2.401 -5.856 319 HD2 PHE 37 HD2 PHE 37 88.671 -1.385 -1.773 320 HE1 PHE 37 HE1 PHE 37 89.781 -1.105 -6.600 321 HE2 PHE 37 HE2 PHE 37 90.650 -0.089 -2.518 322 HZ PHE 37 HZ PHE 37 91.205 0.051 -4.931 323 H VAL 38 HN VAL 38 87.573 -4.755 -1.175 324 HA VAL 38 HA VAL 38 90.424 -4.700 -1.160 325 HB VAL 38 HB VAL 38 88.508 -6.169 0.677 326 1HG1 VAL 38 HG11 VAL 38 90.775 -5.490 2.112 327 2HG1 VAL 38 HG12 VAL 38 91.435 -5.996 0.557 328 3HG1 VAL 38 HG13 VAL 38 90.413 -7.097 1.482 329 1HG2 VAL 38 HG21 VAL 38 88.097 -4.161 1.624 330 2HG2 VAL 38 HG22 VAL 38 88.921 -3.418 0.253 331 3HG2 VAL 38 HG23 VAL 38 89.820 -3.798 1.721 332 H LYS 39 HN LYS 39 88.163 -7.465 -1.367 333 HA LYS 39 HA LYS 39 90.209 -9.461 -1.600 334 1HB LYS 39 HB2 LYS 39 87.338 -9.448 -2.580 335 2HB LYS 39 HB1 LYS 39 88.375 -10.876 -2.552 336 1HG LYS 39 HG2 LYS 39 88.652 -10.625 -0.109 337 2HG LYS 39 HG1 LYS 39 87.600 -9.209 -0.139 338 1HD LYS 39 HD2 LYS 39 85.757 -10.598 -1.025 339 2HD LYS 39 HD1 LYS 39 86.806 -12.015 -0.973 340 1HE LYS 39 HE2 LYS 39 87.020 -11.823 1.447 341 2HE LYS 39 HE1 LYS 39 86.094 -10.323 1.440 342 1HZ LYS 39 HZ1 LYS 39 84.208 -11.563 0.531 343 2HZ LYS 39 HZ2 LYS 39 84.687 -12.165 2.045 344 3HZ LYS 39 HZ3 LYS 39 85.102 -13.000 0.626 345 H ASP 40 HN ASP 40 88.594 -7.387 -3.948 346 HA ASP 40 HA ASP 40 89.594 -8.747 -6.291 347 1HB ASP 40 HB2 ASP 40 88.612 -5.912 -5.855 348 2HB ASP 40 HB1 ASP 40 89.021 -6.575 -7.438 349 H THR 41 HN THR 41 91.031 -6.606 -3.996 350 HA THR 41 HA THR 41 92.923 -5.225 -5.571 351 HB THR 41 HB THR 41 93.550 -6.376 -2.845 352 HG1 THR 41 HG1 THR 41 92.073 -4.033 -3.455 353 1HG2 THR 41 HG21 THR 41 94.195 -3.587 -3.582 354 2HG2 THR 41 HG22 THR 41 95.044 -4.820 -4.516 355 3HG2 THR 41 HG23 THR 41 95.183 -4.794 -2.758 356 H CYS 42 HN CYS 42 93.507 -8.280 -3.780 357 HA CYS 42 HA CYS 42 95.786 -8.789 -5.632 358 1HB CYS 42 HB2 CYS 42 95.271 -9.316 -2.795 359 2HB CYS 42 HB1 CYS 42 95.889 -10.727 -3.654 360 HG CYS 42 HG CYS 42 97.436 -8.102 -3.170 361 HA PRO 43 HA PRO 43 93.415 -13.139 -5.180 362 1HB PRO 43 HB2 PRO 43 90.755 -11.840 -4.732 363 2HB PRO 43 HB1 PRO 43 91.363 -13.397 -4.136 364 1HG PRO 43 HG2 PRO 43 91.233 -11.206 -2.585 365 2HG PRO 43 HG1 PRO 43 92.481 -12.446 -2.391 366 1HD PRO 43 HD2 PRO 43 92.832 -9.668 -3.380 367 2HD PRO 43 HD1 PRO 43 94.009 -10.856 -2.778 368 H TRP 44 HN TRP 44 91.474 -10.360 -6.356 369 HA TRP 44 HA TRP 44 91.656 -11.534 -9.094 370 1HB TRP 44 HB2 TRP 44 89.145 -10.303 -7.922 371 2HB TRP 44 HB1 TRP 44 89.315 -11.052 -9.510 372 HD1 TRP 44 HD1 TRP 44 90.313 -13.738 -9.296 373 HE1 TRP 44 HE1 TRP 44 89.403 -15.571 -7.728 374 HE3 TRP 44 HE3 TRP 44 87.936 -10.834 -5.833 375 HZ2 TRP 44 HZ2 TRP 44 87.867 -15.777 -5.321 376 HZ3 TRP 44 HZ3 TRP 44 86.760 -11.872 -3.915 377 HH2 TRP 44 HH2 TRP 44 86.722 -14.338 -3.654 378 H PHE 45 HN PHE 45 89.836 -9.331 -10.008 379 HA PHE 45 HA PHE 45 90.795 -6.767 -9.319 380 1HB PHE 45 HB2 PHE 45 92.750 -8.288 -10.709 381 2HB PHE 45 HB1 PHE 45 92.149 -7.070 -11.835 382 HD1 PHE 45 HD1 PHE 45 91.615 -4.713 -10.446 383 HD2 PHE 45 HD2 PHE 45 94.653 -7.617 -9.556 384 HE1 PHE 45 HE1 PHE 45 92.932 -2.974 -9.267 385 HE2 PHE 45 HE2 PHE 45 95.971 -5.877 -8.378 386 HZ PHE 45 HZ PHE 45 95.110 -3.555 -8.233 387 HA PRO 46 HA PRO 46 88.864 -6.879 -13.845 388 1HB PRO 46 HB2 PRO 46 87.648 -9.585 -13.711 389 2HB PRO 46 HB1 PRO 46 88.462 -8.779 -15.064 390 1HG PRO 46 HG2 PRO 46 89.619 -10.766 -13.712 391 2HG PRO 46 HG1 PRO 46 90.551 -9.403 -14.356 392 1HD PRO 46 HD2 PRO 46 89.708 -9.945 -11.522 393 2HD PRO 46 HD1 PRO 46 91.206 -9.193 -12.116 394 H GLN 47 HN GLN 47 87.403 -8.551 -11.087 395 HA GLN 47 HA GLN 47 84.674 -7.995 -11.649 396 1HB GLN 47 HB2 GLN 47 86.120 -8.228 -8.994 397 2HB GLN 47 HB1 GLN 47 84.365 -8.179 -9.163 398 1HG GLN 47 HG2 GLN 47 84.454 -10.181 -10.615 399 2HG GLN 47 HG1 GLN 47 86.205 -10.242 -10.410 400 1HE2 GLN 47 HE21 GLN 47 85.269 -12.511 -9.515 401 2HE2 GLN 47 HE22 GLN 47 85.019 -12.550 -7.836 402 H GLU 48 HN GLU 48 83.633 -6.070 -11.780 403 HA GLU 48 HA GLU 48 84.579 -3.812 -10.091 404 1HB GLU 48 HB2 GLU 48 84.227 -3.763 -13.097 405 2HB GLU 48 HB1 GLU 48 84.260 -2.298 -12.115 406 1HG GLU 48 HG2 GLU 48 86.488 -2.881 -11.273 407 2HG GLU 48 HG1 GLU 48 86.457 -4.388 -12.189 408 H GLY 49 HN GLY 49 82.922 -2.070 -9.952 409 1HA GLY 49 HA2 GLY 49 80.253 -2.525 -10.982 410 2HA GLY 49 HA1 GLY 49 80.374 -2.967 -9.279 411 H THR 50 HN THR 50 78.683 -0.904 -9.915 412 HA THR 50 HA THR 50 79.891 1.695 -9.916 413 HB THR 50 HB THR 50 77.194 0.922 -8.765 414 HG1 THR 50 HG1 THR 50 78.140 0.753 -11.250 415 1HG2 THR 50 HG21 THR 50 78.590 3.390 -8.950 416 2HG2 THR 50 HG22 THR 50 76.922 3.126 -8.439 417 3HG2 THR 50 HG23 THR 50 77.286 3.438 -10.138 418 H ILE 51 HN ILE 51 80.593 2.977 -8.222 419 HA ILE 51 HA ILE 51 80.326 1.830 -5.471 420 HB ILE 51 HB ILE 51 82.674 1.873 -6.802 421 1HG1 ILE 51 HG12 ILE 51 82.354 0.886 -4.597 422 2HG1 ILE 51 HG11 ILE 51 83.758 1.954 -4.539 423 1HG2 ILE 51 HG21 ILE 51 83.959 3.835 -6.246 424 2HG2 ILE 51 HG22 ILE 51 82.644 4.486 -5.268 425 3HG2 ILE 51 HG23 ILE 51 82.476 4.387 -7.022 426 1HD1 ILE 51 HD11 ILE 51 82.013 3.769 -3.809 427 2HD1 ILE 51 HD12 ILE 51 82.587 2.598 -2.621 428 3HD1 ILE 51 HD13 ILE 51 81.015 2.378 -3.388 429 H ASP 52 HN ASP 52 79.664 3.282 -3.923 430 HA ASP 52 HA ASP 52 78.667 5.863 -4.774 431 1HB ASP 52 HB2 ASP 52 78.899 4.476 -2.104 432 2HB ASP 52 HB1 ASP 52 78.327 6.139 -2.226 433 H ILE 53 HN ILE 53 79.623 7.868 -4.561 434 HA ILE 53 HA ILE 53 82.472 7.999 -4.104 435 HB ILE 53 HB ILE 53 80.471 10.278 -4.181 436 1HG1 ILE 53 HG12 ILE 53 82.098 9.099 -6.454 437 2HG1 ILE 53 HG11 ILE 53 80.397 8.724 -6.172 438 1HG2 ILE 53 HG21 ILE 53 82.291 11.550 -3.812 439 2HG2 ILE 53 HG22 ILE 53 82.962 10.955 -5.331 440 3HG2 ILE 53 HG23 ILE 53 83.333 10.126 -3.819 441 1HD1 ILE 53 HD11 ILE 53 79.795 10.606 -7.244 442 2HD1 ILE 53 HD12 ILE 53 81.494 10.976 -7.540 443 3HD1 ILE 53 HD13 ILE 53 80.705 11.566 -6.077 444 H LYS 54 HN LYS 54 79.674 8.346 -2.059 445 HA LYS 54 HA LYS 54 80.881 9.889 0.039 446 1HB LYS 54 HB2 LYS 54 78.656 7.831 0.161 447 2HB LYS 54 HB1 LYS 54 79.064 8.952 1.458 448 1HG LYS 54 HG2 LYS 54 78.502 10.006 -1.300 449 2HG LYS 54 HG1 LYS 54 77.162 9.591 -0.229 450 1HD LYS 54 HD2 LYS 54 78.152 11.066 1.522 451 2HD LYS 54 HD1 LYS 54 79.407 11.539 0.375 452 1HE LYS 54 HE2 LYS 54 77.642 12.359 -1.177 453 2HE LYS 54 HE1 LYS 54 76.423 11.959 0.033 454 1HZ LYS 54 HZ1 LYS 54 76.772 14.030 0.748 455 2HZ LYS 54 HZ2 LYS 54 78.255 14.181 -0.068 456 3HZ LYS 54 HZ3 LYS 54 78.190 13.417 1.448 457 H PHE 55 HN PHE 55 80.760 6.405 -0.625 458 HA PHE 55 HA PHE 55 82.125 5.743 1.879 459 1HB PHE 55 HB2 PHE 55 80.472 4.262 0.514 460 2HB PHE 55 HB1 PHE 55 81.878 3.890 -0.485 461 HD1 PHE 55 HD1 PHE 55 83.871 2.784 0.509 462 HD2 PHE 55 HD2 PHE 55 80.266 3.414 2.758 463 HE1 PHE 55 HE1 PHE 55 84.639 1.139 2.199 464 HE2 PHE 55 HE2 PHE 55 81.034 1.769 4.449 465 HZ PHE 55 HZ PHE 55 83.219 0.632 4.169 466 H TRP 56 HN TRP 56 83.058 6.728 -1.286 467 HA TRP 56 HA TRP 56 85.520 5.408 -1.646 468 1HB TRP 56 HB2 TRP 56 84.705 6.827 -3.399 469 2HB TRP 56 HB1 TRP 56 84.673 8.231 -2.333 470 HD1 TRP 56 HD1 TRP 56 87.541 5.688 -2.733 471 HE1 TRP 56 HE1 TRP 56 89.657 6.964 -3.465 472 HE3 TRP 56 HE3 TRP 56 85.590 10.372 -3.307 473 HZ2 TRP 56 HZ2 TRP 56 90.422 9.622 -4.197 474 HZ3 TRP 56 HZ3 TRP 56 87.033 12.256 -4.022 475 HH2 TRP 56 HH2 TRP 56 89.445 11.888 -4.467 476 H ARG 57 HN ARG 57 84.737 8.201 0.395 477 HA ARG 57 HA ARG 57 87.412 8.900 1.097 478 1HB ARG 57 HB2 ARG 57 84.804 9.184 2.615 479 2HB ARG 57 HB1 ARG 57 86.330 9.875 3.170 480 1HG ARG 57 HG2 ARG 57 86.212 11.575 1.687 481 2HG ARG 57 HG1 ARG 57 85.792 10.488 0.363 482 1HD ARG 57 HD2 ARG 57 83.952 12.057 0.779 483 2HD ARG 57 HD1 ARG 57 83.453 10.416 1.185 484 HE ARG 57 HE ARG 57 84.520 11.777 3.501 485 1HH1 ARG 57 HH21 ARG 57 81.801 11.472 1.400 486 2HH1 ARG 57 HH22 ARG 57 80.651 11.955 2.601 487 1HH2 ARG 57 HH11 ARG 57 83.034 12.409 5.080 488 2HH2 ARG 57 HH12 ARG 57 81.348 12.486 4.684 489 H ARG 58 HN ARG 58 85.149 6.549 2.506 490 HA ARG 58 HA ARG 58 86.818 5.840 4.735 491 1HB ARG 58 HB2 ARG 58 84.631 4.337 3.275 492 2HB ARG 58 HB1 ARG 58 85.422 3.721 4.727 493 1HG ARG 58 HG2 ARG 58 84.725 5.713 5.979 494 2HG ARG 58 HG1 ARG 58 83.974 6.379 4.527 495 1HD ARG 58 HD2 ARG 58 82.282 5.303 5.956 496 2HD ARG 58 HD1 ARG 58 82.448 4.435 4.430 497 HE ARG 58 HE ARG 58 83.376 2.599 5.621 498 1HH1 ARG 58 HH21 ARG 58 83.085 5.451 7.537 499 2HH1 ARG 58 HH22 ARG 58 83.437 4.644 9.029 500 1HH2 ARG 58 HH11 ARG 58 83.839 1.529 7.557 501 2HH2 ARG 58 HH12 ARG 58 83.864 2.424 9.040 502 H VAL 59 HN VAL 59 86.520 4.555 1.434 503 HA VAL 59 HA VAL 59 88.276 2.333 1.759 504 HB VAL 59 HB VAL 59 87.655 4.036 -0.671 505 1HG1 VAL 59 HG11 VAL 59 89.690 3.016 -1.254 506 2HG1 VAL 59 HG12 VAL 59 88.494 1.858 -1.837 507 3HG1 VAL 59 HG13 VAL 59 89.338 1.563 -0.317 508 1HG2 VAL 59 HG21 VAL 59 86.127 2.173 0.762 509 2HG2 VAL 59 HG22 VAL 59 86.729 1.276 -0.631 510 3HG2 VAL 59 HG23 VAL 59 85.803 2.757 -0.870 511 H GLY 60 HN GLY 60 88.927 5.688 0.730 512 1HA GLY 60 HA2 GLY 60 91.725 5.357 0.298 513 2HA GLY 60 HA1 GLY 60 90.941 6.890 0.681 514 H ASP 61 HN ASP 61 89.910 6.317 3.217 515 HA ASP 61 HA ASP 61 92.226 6.693 4.870 516 1HB ASP 61 HB2 ASP 61 89.303 6.228 5.384 517 2HB ASP 61 HB1 ASP 61 90.441 6.139 6.728 518 H CYS 62 HN CYS 62 90.165 3.872 4.218 519 HA CYS 62 HA CYS 62 91.453 2.151 6.136 520 1HB CYS 62 HB2 CYS 62 89.616 1.781 3.807 521 2HB CYS 62 HB1 CYS 62 90.493 0.368 4.396 522 HG CYS 62 HG CYS 62 89.173 1.870 6.685 523 H PHE 63 HN PHE 63 91.792 2.385 2.574 524 HA PHE 63 HA PHE 63 93.952 0.534 2.385 525 1HB PHE 63 HB2 PHE 63 92.773 2.639 0.650 526 2HB PHE 63 HB1 PHE 63 94.432 2.170 0.283 527 HD1 PHE 63 HD1 PHE 63 94.477 0.655 -1.488 528 HD2 PHE 63 HD2 PHE 63 91.439 0.274 1.525 529 HE1 PHE 63 HE1 PHE 63 93.655 -1.414 -2.579 530 HE2 PHE 63 HE2 PHE 63 90.617 -1.796 0.434 531 HZ PHE 63 HZ PHE 63 91.725 -2.640 -1.619 532 H GLN 64 HN GLN 64 93.925 4.073 2.796 533 HA GLN 64 HA GLN 64 96.735 4.478 2.657 534 1HB GLN 64 HB2 GLN 64 95.119 6.337 2.658 535 2HB GLN 64 HB1 GLN 64 94.680 5.963 4.325 536 1HG GLN 64 HG2 GLN 64 96.918 6.480 5.095 537 2HG GLN 64 HG1 GLN 64 97.489 6.675 3.437 538 1HE2 GLN 64 HE21 GLN 64 97.742 8.824 5.284 539 2HE2 GLN 64 HE22 GLN 64 96.685 10.069 4.823 540 H ASP 65 HN ASP 65 94.652 3.480 5.346 541 HA ASP 65 HA ASP 65 96.623 3.680 7.408 542 1HB ASP 65 HB2 ASP 65 94.203 1.880 7.106 543 2HB ASP 65 HB1 ASP 65 95.180 1.955 8.573 544 H TYR 66 HN TYR 66 95.703 0.969 5.276 545 HA TYR 66 HA TYR 66 97.582 -0.899 6.378 546 1HB TYR 66 HB2 TYR 66 96.214 -0.712 3.685 547 2HB TYR 66 HB1 TYR 66 97.293 -2.041 4.110 548 HD1 TYR 66 HD1 TYR 66 96.801 -3.238 6.393 549 HD2 TYR 66 HD2 TYR 66 93.945 -0.852 4.248 550 HE1 TYR 66 HE1 TYR 66 94.953 -4.355 7.612 551 HE2 TYR 66 HE2 TYR 66 92.096 -1.969 5.468 552 HH TYR 66 HH TYR 66 92.721 -4.668 7.678 553 H TYR 67 HN TYR 67 97.806 1.488 3.762 554 HA TYR 67 HA TYR 67 100.339 0.693 2.734 555 1HB TYR 67 HB2 TYR 67 99.252 2.280 1.408 556 2HB TYR 67 HB1 TYR 67 98.814 3.282 2.792 557 HD1 TYR 67 HD1 TYR 67 100.219 5.047 3.520 558 HD2 TYR 67 HD2 TYR 67 101.706 2.137 0.733 559 HE1 TYR 67 HE1 TYR 67 102.257 6.416 3.178 560 HE2 TYR 67 HE2 TYR 67 103.744 3.506 0.390 561 HH TYR 67 HH TYR 67 104.097 6.689 1.922 562 H ASN 68 HN ASN 68 99.580 3.206 5.176 563 HA ASN 68 HA ASN 68 102.312 3.771 5.809 564 1HB ASN 68 HB2 ASN 68 99.726 4.138 7.332 565 2HB ASN 68 HB1 ASN 68 101.282 4.622 8.009 566 1HD2 ASN 68 HD21 ASN 68 99.113 6.468 7.261 567 2HD2 ASN 68 HD22 ASN 68 99.727 7.470 6.036 568 H THR 69 HN THR 69 99.989 1.436 7.132 569 HA THR 69 HA THR 69 101.606 0.578 9.336 570 HB THR 69 HB THR 69 99.532 -0.972 7.753 571 HG1 THR 69 HG1 THR 69 99.329 0.491 10.173 572 1HG2 THR 69 HG21 THR 69 99.417 -1.994 10.233 573 2HG2 THR 69 HG22 THR 69 101.122 -1.546 10.202 574 3HG2 THR 69 HG23 THR 69 100.481 -2.656 8.991 575 H PHE 70 HN PHE 70 101.219 -0.761 6.041 576 HA PHE 70 HA PHE 70 103.738 -2.307 6.516 577 1HB PHE 70 HB2 PHE 70 101.265 -2.934 4.902 578 2HB PHE 70 HB1 PHE 70 102.800 -3.738 4.571 579 HD1 PHE 70 HD1 PHE 70 99.848 -3.806 6.545 580 HD2 PHE 70 HD2 PHE 70 104.036 -4.752 6.660 581 HE1 PHE 70 HE1 PHE 70 99.447 -5.353 8.442 582 HE2 PHE 70 HE2 PHE 70 103.635 -6.299 8.555 583 HZ PHE 70 HZ PHE 70 101.341 -6.600 9.446 584 H GLY 71 HN GLY 71 101.828 -0.733 3.929 585 1HA GLY 71 HA2 GLY 71 103.312 1.052 2.736 586 2HA GLY 71 HA1 GLY 71 104.371 -0.327 2.428 587 HA PRO 72 HA PRO 72 101.386 0.080 -1.125 588 1HB PRO 72 HB2 PRO 72 103.756 -0.602 -2.721 589 2HB PRO 72 HB1 PRO 72 102.682 0.800 -2.853 590 1HG PRO 72 HG2 PRO 72 105.228 0.951 -1.947 591 2HG PRO 72 HG1 PRO 72 103.944 2.064 -1.450 592 1HD PRO 72 HD2 PRO 72 105.137 -0.221 0.054 593 2HD PRO 72 HD1 PRO 72 104.491 1.321 0.661 594 H GLU 73 HN GLU 73 103.604 -2.353 -0.014 595 HA GLU 73 HA GLU 73 103.097 -4.455 -1.837 596 1HB GLU 73 HB2 GLU 73 103.566 -4.569 1.158 597 2HB GLU 73 HB1 GLU 73 103.613 -5.971 0.089 598 1HG GLU 73 HG2 GLU 73 105.412 -4.879 -1.232 599 2HG GLU 73 HG1 GLU 73 105.393 -3.524 -0.104 600 H LYS 74 HN LYS 74 101.402 -3.770 1.247 601 HA LYS 74 HA LYS 74 99.353 -5.736 0.811 602 1HB LYS 74 HB2 LYS 74 99.308 -3.218 2.504 603 2HB LYS 74 HB1 LYS 74 98.137 -4.533 2.607 604 1HG LYS 74 HG2 LYS 74 101.120 -4.860 3.037 605 2HG LYS 74 HG1 LYS 74 99.935 -4.705 4.334 606 1HD LYS 74 HD2 LYS 74 98.734 -6.691 3.114 607 2HD LYS 74 HD1 LYS 74 100.320 -6.962 2.389 608 1HE LYS 74 HE2 LYS 74 101.333 -7.083 4.634 609 2HE LYS 74 HE1 LYS 74 99.751 -6.805 5.364 610 1HZ LYS 74 HZ1 LYS 74 99.242 -8.853 3.714 611 2HZ LYS 74 HZ2 LYS 74 99.635 -9.026 5.358 612 3HZ LYS 74 HZ3 LYS 74 100.837 -9.202 4.171 613 H VAL 75 HN VAL 75 99.617 -2.296 0.011 614 HA VAL 75 HA VAL 75 97.308 -2.642 -1.828 615 HB VAL 75 HB VAL 75 96.621 -0.247 -1.050 616 1HG1 VAL 75 HG11 VAL 75 95.165 -1.224 0.686 617 2HG1 VAL 75 HG12 VAL 75 96.183 -2.662 0.732 618 3HG1 VAL 75 HG13 VAL 75 95.261 -2.283 -0.722 619 1HG2 VAL 75 HG21 VAL 75 97.222 0.354 1.183 620 2HG2 VAL 75 HG22 VAL 75 98.733 -0.100 0.396 621 3HG2 VAL 75 HG23 VAL 75 97.937 -1.228 1.493 622 HA PRO 76 HA PRO 76 101.040 -0.657 -3.775 623 1HB PRO 76 HB2 PRO 76 99.761 -1.998 -6.103 624 2HB PRO 76 HB1 PRO 76 101.459 -2.004 -5.589 625 1HG PRO 76 HG2 PRO 76 99.938 -4.143 -5.254 626 2HG PRO 76 HG1 PRO 76 101.123 -3.664 -4.028 627 1HD PRO 76 HD2 PRO 76 98.149 -3.305 -4.006 628 2HD PRO 76 HD1 PRO 76 99.242 -3.726 -2.671 629 H VAL 77 HN VAL 77 101.097 1.062 -5.390 630 HA VAL 77 HA VAL 77 98.967 2.889 -5.344 631 HB VAL 77 HB VAL 77 100.053 3.988 -7.252 632 1HG1 VAL 77 HG11 VAL 77 101.097 4.056 -4.959 633 2HG1 VAL 77 HG12 VAL 77 102.249 4.283 -6.274 634 3HG1 VAL 77 HG13 VAL 77 102.142 2.726 -5.454 635 1HG2 VAL 77 HG21 VAL 77 101.282 1.260 -7.556 636 2HG2 VAL 77 HG22 VAL 77 102.170 2.681 -8.109 637 3HG2 VAL 77 HG23 VAL 77 100.586 2.309 -8.791 638 H THR 78 HN THR 78 98.995 -0.110 -6.839 639 HA THR 78 HA THR 78 97.586 0.385 -9.272 640 HB THR 78 HB THR 78 96.865 -1.982 -9.090 641 HG1 THR 78 HG1 THR 78 97.388 -3.113 -7.222 642 1HG2 THR 78 HG21 THR 78 99.647 -1.057 -8.723 643 2HG2 THR 78 HG22 THR 78 98.962 -2.105 -9.965 644 3HG2 THR 78 HG23 THR 78 99.378 -2.767 -8.384 645 H ALA 79 HN ALA 79 96.505 0.129 -5.925 646 HA ALA 79 HA ALA 79 93.702 -0.113 -6.458 647 1HB ALA 79 HB1 ALA 79 94.822 1.374 -4.085 648 2HB ALA 79 HB2 ALA 79 94.980 -0.378 -4.215 649 3HB ALA 79 HB3 ALA 79 93.380 0.363 -4.168 650 H PHE 80 HN PHE 80 95.801 2.728 -5.996 651 HA PHE 80 HA PHE 80 93.733 4.691 -6.118 652 1HB PHE 80 HB2 PHE 80 96.672 4.797 -6.836 653 2HB PHE 80 HB1 PHE 80 95.627 6.217 -6.878 654 HD1 PHE 80 HD1 PHE 80 95.080 7.389 -4.896 655 HD2 PHE 80 HD2 PHE 80 96.854 3.485 -4.650 656 HE1 PHE 80 HE1 PHE 80 95.354 7.668 -2.448 657 HE2 PHE 80 HE2 PHE 80 97.127 3.763 -2.201 658 HZ PHE 80 HZ PHE 80 96.376 5.855 -1.100 659 H SER 81 HN SER 81 95.866 3.416 -8.692 660 HA SER 81 HA SER 81 94.724 4.916 -10.823 661 1HB SER 81 HB2 SER 81 96.038 2.185 -10.819 662 2HB SER 81 HB1 SER 81 95.625 3.073 -12.282 663 HG SER 81 HG SER 81 96.920 4.678 -10.568 664 H TYR 82 HN TYR 82 93.878 1.698 -9.536 665 HA TYR 82 HA TYR 82 91.819 1.118 -11.423 666 1HB TYR 82 HB2 TYR 82 92.938 -0.240 -9.343 667 2HB TYR 82 HB1 TYR 82 91.380 0.198 -8.643 668 HD1 TYR 82 HD1 TYR 82 92.693 -0.982 -11.965 669 HD2 TYR 82 HD2 TYR 82 89.670 -1.342 -8.934 670 HE1 TYR 82 HE1 TYR 82 91.592 -2.777 -13.276 671 HE2 TYR 82 HE2 TYR 82 88.570 -3.136 -10.245 672 HH TYR 82 HH TYR 82 89.875 -4.171 -13.400 673 H TRP 83 HN TRP 83 91.707 2.788 -8.275 674 HA TRP 83 HA TRP 83 88.862 3.181 -8.274 675 1HB TRP 83 HB2 TRP 83 90.720 3.538 -6.395 676 2HB TRP 83 HB1 TRP 83 90.672 5.194 -6.998 677 HD1 TRP 83 HD1 TRP 83 88.497 6.603 -6.590 678 HE1 TRP 83 HE1 TRP 83 86.425 6.242 -5.099 679 HE3 TRP 83 HE3 TRP 83 89.111 1.674 -5.403 680 HZ2 TRP 83 HZ2 TRP 83 85.192 4.142 -3.600 681 HZ3 TRP 83 HZ3 TRP 83 87.474 0.520 -3.943 682 HH2 TRP 83 HH2 TRP 83 85.518 1.746 -3.041 683 H ASN 84 HN ASN 84 91.561 5.045 -9.597 684 HA ASN 84 HA ASN 84 90.183 7.437 -10.227 685 1HB ASN 84 HB2 ASN 84 92.502 6.005 -11.522 686 2HB ASN 84 HB1 ASN 84 91.872 7.509 -12.193 687 1HD2 ASN 84 HD21 ASN 84 94.514 7.382 -11.105 688 2HD2 ASN 84 HD22 ASN 84 94.560 8.322 -9.693 689 H LEU 85 HN LEU 85 90.466 4.402 -12.067 690 HA LEU 85 HA LEU 85 88.971 5.275 -14.347 691 1HB LEU 85 HB2 LEU 85 89.385 2.518 -13.157 692 2HB LEU 85 HB1 LEU 85 88.590 2.806 -14.705 693 HG LEU 85 HG LEU 85 91.388 3.754 -14.027 694 1HD1 LEU 85 HD11 LEU 85 90.339 1.255 -15.329 695 2HD1 LEU 85 HD12 LEU 85 91.655 1.436 -14.168 696 3HD1 LEU 85 HD13 LEU 85 91.886 1.925 -15.846 697 1HD2 LEU 85 HD21 LEU 85 90.798 5.126 -15.774 698 2HD2 LEU 85 HD22 LEU 85 89.534 4.035 -16.339 699 3HD2 LEU 85 HD23 LEU 85 91.223 3.702 -16.724 700 H ILE 86 HN ILE 86 87.974 3.677 -11.323 701 HA ILE 86 HA ILE 86 85.214 3.388 -11.997 702 HB ILE 86 HB ILE 86 86.712 3.607 -9.389 703 1HG1 ILE 86 HG12 ILE 86 86.514 1.526 -11.012 704 2HG1 ILE 86 HG11 ILE 86 86.379 1.303 -9.268 705 1HG2 ILE 86 HG21 ILE 86 83.731 3.594 -9.863 706 2HG2 ILE 86 HG22 ILE 86 84.667 4.623 -8.778 707 3HG2 ILE 86 HG23 ILE 86 84.423 2.921 -8.386 708 1HD1 ILE 86 HD11 ILE 86 83.928 1.870 -10.920 709 2HD1 ILE 86 HD12 ILE 86 84.043 1.081 -9.347 710 3HD1 ILE 86 HD13 ILE 86 84.565 0.229 -10.802 711 H LYS 87 HN LYS 87 87.004 6.048 -10.453 712 HA LYS 87 HA LYS 87 84.808 7.709 -9.811 713 1HB LYS 87 HB2 LYS 87 87.183 8.144 -9.154 714 2HB LYS 87 HB1 LYS 87 87.522 8.613 -10.820 715 1HG LYS 87 HG2 LYS 87 85.915 10.434 -10.690 716 2HG LYS 87 HG1 LYS 87 85.414 9.921 -9.078 717 1HD LYS 87 HD2 LYS 87 87.694 10.352 -8.230 718 2HD LYS 87 HD1 LYS 87 88.191 10.876 -9.840 719 1HE LYS 87 HE2 LYS 87 86.513 12.684 -9.774 720 2HE LYS 87 HE1 LYS 87 86.012 12.162 -8.166 721 1HZ LYS 87 HZ1 LYS 87 87.563 13.552 -7.422 722 2HZ LYS 87 HZ2 LYS 87 88.282 13.723 -8.953 723 3HZ LYS 87 HZ3 LYS 87 88.708 12.417 -7.953 724 H GLU 88 HN GLU 88 86.553 7.311 -12.879 725 HA GLU 88 HA GLU 88 85.114 9.418 -14.244 726 1HB GLU 88 HB2 GLU 88 86.650 7.023 -15.298 727 2HB GLU 88 HB1 GLU 88 86.015 8.319 -16.313 728 1HG GLU 88 HG2 GLU 88 87.363 9.966 -15.077 729 2HG GLU 88 HG1 GLU 88 87.985 8.686 -14.035 730 H LEU 89 HN LEU 89 84.636 5.931 -13.852 731 HA LEU 89 HA LEU 89 82.541 5.664 -15.792 732 1HB LEU 89 HB2 LEU 89 83.572 4.064 -13.503 733 2HB LEU 89 HB1 LEU 89 81.926 3.716 -14.032 734 HG LEU 89 HG LEU 89 82.811 3.531 -16.388 735 1HD1 LEU 89 HD11 LEU 89 84.918 4.856 -15.797 736 2HD1 LEU 89 HD12 LEU 89 85.164 3.409 -16.775 737 3HD1 LEU 89 HD13 LEU 89 85.518 3.378 -15.048 738 1HD2 LEU 89 HD21 LEU 89 82.382 1.521 -15.058 739 2HD2 LEU 89 HD22 LEU 89 83.961 1.666 -14.286 740 3HD2 LEU 89 HD23 LEU 89 83.852 1.294 -16.006 741 H ILE 90 HN ILE 90 82.462 6.256 -12.271 742 HA ILE 90 HA ILE 90 79.562 6.428 -12.206 743 HB ILE 90 HB ILE 90 79.884 7.204 -9.897 744 1HG1 ILE 90 HG12 ILE 90 82.771 7.431 -10.786 745 2HG1 ILE 90 HG11 ILE 90 81.741 8.707 -10.135 746 1HG2 ILE 90 HG21 ILE 90 80.398 4.744 -10.779 747 2HG2 ILE 90 HG22 ILE 90 80.669 5.181 -9.093 748 3HG2 ILE 90 HG23 ILE 90 82.024 5.139 -10.222 749 1HD1 ILE 90 HD11 ILE 90 83.077 8.068 -8.294 750 2HD1 ILE 90 HD12 ILE 90 82.948 6.353 -8.687 751 3HD1 ILE 90 HD13 ILE 90 81.556 7.214 -8.031 752 H ASP 91 HN ASP 91 82.228 8.770 -12.357 753 HA ASP 91 HA ASP 91 80.661 11.126 -12.008 754 1HB ASP 91 HB2 ASP 91 83.296 10.539 -13.338 755 2HB ASP 91 HB1 ASP 91 82.578 12.144 -13.476 756 H LYS 92 HN LYS 92 81.674 9.457 -15.007 757 HA LYS 92 HA LYS 92 80.221 11.215 -16.757 758 1HB LYS 92 HB2 LYS 92 81.178 8.362 -17.123 759 2HB LYS 92 HB1 LYS 92 80.488 9.343 -18.417 760 1HG LYS 92 HG2 LYS 92 82.259 11.025 -18.103 761 2HG LYS 92 HG1 LYS 92 82.944 10.066 -16.791 762 1HD LYS 92 HD2 LYS 92 83.338 8.198 -18.353 763 2HD LYS 92 HD1 LYS 92 82.653 9.154 -19.668 764 1HE LYS 92 HE2 LYS 92 84.413 10.862 -19.334 765 2HE LYS 92 HE1 LYS 92 85.110 9.880 -18.046 766 1HZ LYS 92 HZ1 LYS 92 85.860 9.714 -20.591 767 2HZ LYS 92 HZ2 LYS 92 84.652 8.519 -20.567 768 3HZ LYS 92 HZ3 LYS 92 85.970 8.420 -19.500 769 H LYS 93 HN LYS 93 79.421 8.043 -15.329 770 HA LYS 93 HA LYS 93 76.781 7.986 -16.551 771 1HB LYS 93 HB2 LYS 93 78.026 5.926 -15.875 772 2HB LYS 93 HB1 LYS 93 77.824 6.396 -14.187 773 1HG LYS 93 HG2 LYS 93 75.386 6.325 -14.430 774 2HG LYS 93 HG1 LYS 93 75.554 5.921 -16.139 775 1HD LYS 93 HD2 LYS 93 76.748 3.844 -15.529 776 2HD LYS 93 HD1 LYS 93 76.554 4.241 -13.821 777 1HE LYS 93 HE2 LYS 93 74.104 4.194 -14.079 778 2HE LYS 93 HE1 LYS 93 74.288 3.811 -15.791 779 1HZ LYS 93 HZ1 LYS 93 75.834 1.956 -14.566 780 2HZ LYS 93 HZ2 LYS 93 74.251 1.701 -15.124 781 3HZ LYS 93 HZ3 LYS 93 74.527 2.101 -13.496 782 H GLU 94 HN GLU 94 74.989 9.015 -15.806 783 HA GLU 94 HA GLU 94 75.053 10.771 -13.554 784 1HB GLU 94 HB2 GLU 94 72.729 9.563 -15.080 785 2HB GLU 94 HB1 GLU 94 72.547 10.817 -13.852 786 1HG GLU 94 HG2 GLU 94 74.283 11.078 -16.325 787 2HG GLU 94 HG1 GLU 94 72.656 11.744 -16.171 788 H VAL 95 HN VAL 95 74.667 10.390 -11.411 789 HA VAL 95 HA VAL 95 73.411 7.788 -10.658 790 HB VAL 95 HB VAL 95 75.884 7.630 -10.415 791 1HG1 VAL 95 HG11 VAL 95 75.681 10.275 -9.620 792 2HG1 VAL 95 HG12 VAL 95 77.117 9.266 -9.448 793 3HG1 VAL 95 HG13 VAL 95 75.989 9.430 -8.103 794 1HG2 VAL 95 HG21 VAL 95 74.106 6.625 -8.775 795 2HG2 VAL 95 HG22 VAL 95 74.717 7.836 -7.647 796 3HG2 VAL 95 HG23 VAL 95 75.805 6.611 -8.301 797 H ASN 96 HN ASN 96 72.682 7.852 -8.302 798 HA ASN 96 HA ASN 96 71.919 10.636 -7.518 799 1HB ASN 96 HB2 ASN 96 70.023 9.293 -8.529 800 2HB ASN 96 HB1 ASN 96 70.175 8.184 -7.166 801 1HD2 ASN 96 HD21 ASN 96 68.981 11.319 -8.151 802 2HD2 ASN 96 HD22 ASN 96 68.337 11.767 -6.646 803 HA PRO 97 HA PRO 97 74.318 8.622 -4.100 804 1HB PRO 97 HB2 PRO 97 74.743 11.506 -3.518 805 2HB PRO 97 HB1 PRO 97 75.925 10.186 -3.611 806 1HG PRO 97 HG2 PRO 97 75.765 12.006 -5.529 807 2HG PRO 97 HG1 PRO 97 76.077 10.303 -5.905 808 1HD PRO 97 HD2 PRO 97 73.520 11.852 -6.198 809 2HD PRO 97 HD1 PRO 97 74.214 10.608 -7.261 810 H GLN 98 HN GLN 98 74.347 10.286 -1.729 811 HA GLN 98 HA GLN 98 71.812 9.573 -0.588 812 1HB GLN 98 HB2 GLN 98 73.997 11.441 0.373 813 2HB GLN 98 HB1 GLN 98 72.592 11.002 1.344 814 1HG GLN 98 HG2 GLN 98 73.204 8.638 1.225 815 2HG GLN 98 HG1 GLN 98 74.562 9.021 0.167 816 1HE2 GLN 98 HE21 GLN 98 73.839 8.380 3.365 817 2HE2 GLN 98 HE22 GLN 98 75.142 9.179 4.104 818 H VAL 99 HN VAL 99 73.127 12.647 -1.799 819 HA VAL 99 HA VAL 99 70.332 13.711 -1.758 820 HB VAL 99 HB VAL 99 72.911 15.128 -1.046 821 1HG1 VAL 99 HG11 VAL 99 71.797 16.704 -2.414 822 2HG1 VAL 99 HG12 VAL 99 71.287 17.122 -0.778 823 3HG1 VAL 99 HG13 VAL 99 70.206 16.211 -1.833 824 1HG2 VAL 99 HG21 VAL 99 71.581 15.682 1.008 825 2HG2 VAL 99 HG22 VAL 99 71.854 13.952 0.806 826 3HG2 VAL 99 HG23 VAL 99 70.287 14.650 0.399 827 H MET 100 HN MET 100 69.657 14.476 -3.717 828 HA MET 100 HA MET 100 69.742 14.844 -6.041 829 1HB MET 100 HB2 MET 100 72.170 16.377 -5.066 830 2HB MET 100 HB1 MET 100 71.511 16.513 -6.696 831 1HG MET 100 HG2 MET 100 69.369 17.280 -5.807 832 2HG MET 100 HG1 MET 100 69.947 17.055 -4.156 833 1HE MET 100 HE1 MET 100 71.065 20.143 -7.276 834 2HE MET 100 HE2 MET 100 70.390 18.527 -7.476 835 3HE MET 100 HE3 MET 100 72.127 18.727 -7.262 Start of MODEL 14 1 1H MET 1 HT1 MET 1 74.018 -7.150 -1.149 2 2H MET 1 HT2 MET 1 74.624 -5.623 -0.714 3 3H MET 1 HT3 MET 1 73.689 -5.800 -2.122 4 HA MET 1 HA MET 1 72.719 -6.227 0.653 5 1HB MET 1 HB2 MET 1 73.152 -3.858 0.144 6 2HB MET 1 HB1 MET 1 72.195 -3.991 -1.329 7 1HG MET 1 HG2 MET 1 70.196 -4.515 -0.024 8 2HG MET 1 HG1 MET 1 71.140 -4.515 1.467 9 1HE MET 1 HE1 MET 1 69.690 -1.005 -1.061 10 2HE MET 1 HE2 MET 1 69.012 -2.626 -0.934 11 3HE MET 1 HE3 MET 1 70.551 -2.385 -1.755 12 H GLY 2 HN GLY 2 70.594 -6.996 0.751 13 1HA GLY 2 HA2 GLY 2 68.475 -7.688 -0.123 14 2HA GLY 2 HA1 GLY 2 69.065 -7.350 -1.750 15 H GLN 3 HN GLN 3 71.554 -8.981 -0.541 16 HA GLN 3 HA GLN 3 70.615 -11.531 -1.706 17 1HB GLN 3 HB2 GLN 3 73.338 -10.568 -0.782 18 2HB GLN 3 HB1 GLN 3 73.036 -12.190 -1.407 19 1HG GLN 3 HG2 GLN 3 72.242 -11.249 -3.530 20 2HG GLN 3 HG1 GLN 3 72.452 -9.613 -2.904 21 1HE2 GLN 3 HE21 GLN 3 73.941 -9.654 -4.995 22 2HE2 GLN 3 HE22 GLN 3 75.560 -10.085 -4.729 23 H GLU 4 HN GLU 4 71.090 -13.580 -0.520 24 HA GLU 4 HA GLU 4 69.910 -13.721 2.010 25 1HB GLU 4 HB2 GLU 4 72.043 -15.495 0.787 26 2HB GLU 4 HB1 GLU 4 71.164 -15.900 2.262 27 1HG GLU 4 HG2 GLU 4 69.038 -15.826 1.058 28 2HG GLU 4 HG1 GLU 4 69.864 -15.318 -0.416 29 H LEU 5 HN LEU 5 70.641 -13.455 4.103 30 HA LEU 5 HA LEU 5 73.264 -12.140 4.421 31 1HB LEU 5 HB2 LEU 5 70.912 -12.571 6.275 32 2HB LEU 5 HB1 LEU 5 72.425 -11.876 6.832 33 HG LEU 5 HG LEU 5 70.845 -10.782 4.487 34 1HD1 LEU 5 HD11 LEU 5 69.596 -10.650 6.666 35 2HD1 LEU 5 HD12 LEU 5 70.003 -9.072 5.988 36 3HD1 LEU 5 HD13 LEU 5 70.946 -9.727 7.328 37 1HD2 LEU 5 HD21 LEU 5 73.428 -10.160 5.771 38 2HD2 LEU 5 HD22 LEU 5 72.377 -8.763 5.582 39 3HD2 LEU 5 HD23 LEU 5 72.829 -9.722 4.175 40 H SER 6 HN SER 6 74.879 -13.668 4.436 41 HA SER 6 HA SER 6 74.524 -16.211 5.863 42 1HB SER 6 HB2 SER 6 76.924 -16.572 5.166 43 2HB SER 6 HB1 SER 6 75.816 -16.285 3.828 44 HG SER 6 HG SER 6 76.605 -13.926 4.598 45 H GLN 7 HN GLN 7 76.322 -16.855 7.457 46 HA GLN 7 HA GLN 7 76.267 -15.219 9.739 47 1HB GLN 7 HB2 GLN 7 76.967 -17.605 9.742 48 2HB GLN 7 HB1 GLN 7 78.474 -17.149 8.949 49 1HG GLN 7 HG2 GLN 7 79.060 -15.712 10.862 50 2HG GLN 7 HG1 GLN 7 77.541 -16.133 11.652 51 1HE2 GLN 7 HE21 GLN 7 79.962 -16.727 12.966 52 2HE2 GLN 7 HE22 GLN 7 80.202 -18.408 12.973 53 H HIS 8 HN HIS 8 78.686 -15.324 7.130 54 HA HIS 8 HA HIS 8 80.484 -13.427 8.327 55 1HB HIS 8 HB2 HIS 8 81.114 -14.919 6.441 56 2HB HIS 8 HB1 HIS 8 80.027 -14.017 5.387 57 HD2 HIS 8 HD2 HIS 8 81.143 -11.702 4.313 58 HE1 HIS 8 HE1 HIS 8 84.612 -11.587 6.720 59 HE2 HIS 8 HE2 HIS 8 83.421 -10.509 4.757 60 H GLU 9 HN GLU 9 77.811 -13.058 5.988 61 HA GLU 9 HA GLU 9 78.107 -10.221 5.711 62 1HB GLU 9 HB2 GLU 9 75.752 -12.047 5.233 63 2HB GLU 9 HB1 GLU 9 75.744 -10.327 4.841 64 1HG GLU 9 HG2 GLU 9 77.726 -10.664 3.386 65 2HG GLU 9 HG1 GLU 9 77.685 -12.389 3.752 66 H ARG 10 HN ARG 10 76.334 -12.272 7.951 67 HA ARG 10 HA ARG 10 74.761 -10.175 9.146 68 1HB ARG 10 HB2 ARG 10 75.631 -12.898 10.147 69 2HB ARG 10 HB1 ARG 10 74.567 -11.831 11.063 70 1HG ARG 10 HG2 ARG 10 72.940 -11.823 9.242 71 2HG ARG 10 HG1 ARG 10 74.021 -12.792 8.244 72 1HD ARG 10 HD2 ARG 10 72.305 -14.217 9.282 73 2HD ARG 10 HD1 ARG 10 73.905 -14.628 9.892 74 HE ARG 10 HE ARG 10 73.280 -13.764 12.019 75 1HH1 ARG 10 HH21 ARG 10 70.996 -13.047 9.536 76 2HH1 ARG 10 HH22 ARG 10 69.781 -12.487 10.634 77 1HH2 ARG 10 HH11 ARG 10 71.705 -13.034 13.465 78 2HH2 ARG 10 HH12 ARG 10 70.181 -12.478 12.857 79 H TYR 11 HN TYR 11 77.958 -11.549 9.854 80 HA TYR 11 HA TYR 11 78.391 -10.226 12.335 81 1HB TYR 11 HB2 TYR 11 79.884 -11.995 11.580 82 2HB TYR 11 HB1 TYR 11 80.369 -11.033 10.184 83 HD1 TYR 11 HD1 TYR 11 82.209 -9.587 10.336 84 HD2 TYR 11 HD2 TYR 11 80.274 -10.931 13.927 85 HE1 TYR 11 HE1 TYR 11 83.973 -8.496 11.695 86 HE2 TYR 11 HE2 TYR 11 82.037 -9.840 15.287 87 HH TYR 11 HH TYR 11 84.448 -9.142 14.948 88 H VAL 12 HN VAL 12 79.315 -9.221 9.031 89 HA VAL 12 HA VAL 12 80.376 -6.673 9.829 90 HB VAL 12 HB VAL 12 79.988 -6.053 7.411 91 1HG1 VAL 12 HG11 VAL 12 81.354 -8.651 8.146 92 2HG1 VAL 12 HG12 VAL 12 82.088 -7.059 7.953 93 3HG1 VAL 12 HG13 VAL 12 81.490 -7.931 6.541 94 1HG2 VAL 12 HG21 VAL 12 79.211 -7.908 5.932 95 2HG2 VAL 12 HG22 VAL 12 77.951 -7.360 7.039 96 3HG2 VAL 12 HG23 VAL 12 78.836 -8.846 7.371 97 H GLU 13 HN GLU 13 77.119 -7.784 9.072 98 HA GLU 13 HA GLU 13 75.840 -5.270 8.773 99 1HB GLU 13 HB2 GLU 13 74.737 -7.456 8.343 100 2HB GLU 13 HB1 GLU 13 74.723 -7.769 10.078 101 1HG GLU 13 HG2 GLU 13 73.329 -5.805 10.465 102 2HG GLU 13 HG1 GLU 13 73.402 -5.386 8.752 103 H GLN 14 HN GLN 14 76.512 -7.174 11.721 104 HA GLN 14 HA GLN 14 75.277 -5.337 13.537 105 1HB GLN 14 HB2 GLN 14 75.967 -7.663 14.149 106 2HB GLN 14 HB1 GLN 14 77.654 -7.157 14.045 107 1HG GLN 14 HG2 GLN 14 76.936 -7.067 16.374 108 2HG GLN 14 HG1 GLN 14 77.204 -5.426 15.795 109 1HE2 GLN 14 HE21 GLN 14 75.614 -4.173 16.807 110 2HE2 GLN 14 HE22 GLN 14 73.959 -4.552 16.832 111 H LEU 15 HN LEU 15 78.529 -5.532 12.144 112 HA LEU 15 HA LEU 15 79.725 -3.504 13.745 113 1HB LEU 15 HB2 LEU 15 81.073 -4.949 12.289 114 2HB LEU 15 HB1 LEU 15 80.285 -4.281 10.862 115 HG LEU 15 HG LEU 15 81.200 -2.054 11.383 116 1HD1 LEU 15 HD11 LEU 15 81.408 -1.887 13.693 117 2HD1 LEU 15 HD12 LEU 15 83.084 -2.178 13.229 118 3HD1 LEU 15 HD13 LEU 15 82.099 -3.504 13.845 119 1HD2 LEU 15 HD21 LEU 15 82.682 -4.351 10.607 120 2HD2 LEU 15 HD22 LEU 15 83.730 -3.356 11.617 121 3HD2 LEU 15 HD23 LEU 15 82.980 -2.667 10.178 122 H LYS 16 HN LYS 16 77.820 -3.352 10.764 123 HA LYS 16 HA LYS 16 78.154 -0.577 10.221 124 1HB LYS 16 HB2 LYS 16 77.092 -2.233 8.668 125 2HB LYS 16 HB1 LYS 16 75.680 -2.260 9.723 126 1HG LYS 16 HG2 LYS 16 75.336 0.141 9.375 127 2HG LYS 16 HG1 LYS 16 76.788 0.222 8.376 128 1HD LYS 16 HD2 LYS 16 75.768 -1.371 6.779 129 2HD LYS 16 HD1 LYS 16 74.310 -1.411 7.768 130 1HE LYS 16 HE2 LYS 16 74.000 1.012 7.427 131 2HE LYS 16 HE1 LYS 16 75.461 1.054 6.451 132 1HZ LYS 16 HZ1 LYS 16 72.840 -0.042 5.807 133 2HZ LYS 16 HZ2 LYS 16 74.199 -0.850 5.184 134 3HZ LYS 16 HZ3 LYS 16 73.938 0.789 4.819 135 H GLN 17 HN GLN 17 75.758 -2.293 12.240 136 HA GLN 17 HA GLN 17 74.150 -0.080 12.946 137 1HB GLN 17 HB2 GLN 17 74.980 -2.445 14.659 138 2HB GLN 17 HB1 GLN 17 73.649 -1.349 15.029 139 1HG GLN 17 HG2 GLN 17 72.534 -1.966 12.924 140 2HG GLN 17 HG1 GLN 17 73.871 -3.045 12.525 141 1HE2 GLN 17 HE21 GLN 17 70.797 -3.095 13.796 142 2HE2 GLN 17 HE22 GLN 17 70.916 -4.486 14.761 143 H ALA 18 HN ALA 18 77.208 -1.231 14.374 144 HA ALA 18 HA ALA 18 77.320 0.727 16.475 145 1HB ALA 18 HB1 ALA 18 79.836 0.254 16.334 146 2HB ALA 18 HB2 ALA 18 79.446 -0.861 15.024 147 3HB ALA 18 HB3 ALA 18 78.800 -1.140 16.641 148 H LEU 19 HN LEU 19 78.625 0.712 13.152 149 HA LEU 19 HA LEU 19 79.895 3.267 13.320 150 1HB LEU 19 HB2 LEU 19 78.857 1.585 11.040 151 2HB LEU 19 HB1 LEU 19 79.481 3.204 10.740 152 HG LEU 19 HG LEU 19 81.121 1.356 12.417 153 1HD1 LEU 19 HD11 LEU 19 82.174 0.445 10.366 154 2HD1 LEU 19 HD12 LEU 19 80.953 1.263 9.389 155 3HD1 LEU 19 HD13 LEU 19 80.480 -0.027 10.491 156 1HD2 LEU 19 HD21 LEU 19 82.943 2.619 11.356 157 2HD2 LEU 19 HD22 LEU 19 81.756 3.741 12.017 158 3HD2 LEU 19 HD23 LEU 19 81.793 3.416 10.286 159 H LYS 20 HN LYS 20 76.615 2.300 12.359 160 HA LYS 20 HA LYS 20 75.731 4.876 11.544 161 1HB LYS 20 HB2 LYS 20 74.501 2.727 11.125 162 2HB LYS 20 HB1 LYS 20 74.059 2.703 12.832 163 1HG LYS 20 HG2 LYS 20 72.875 4.821 12.604 164 2HG LYS 20 HG1 LYS 20 73.399 4.967 10.926 165 1HD LYS 20 HD2 LYS 20 72.175 2.891 10.368 166 2HD LYS 20 HD1 LYS 20 71.632 2.768 12.042 167 1HE LYS 20 HE2 LYS 20 70.458 4.908 11.848 168 2HE LYS 20 HE1 LYS 20 71.048 5.103 10.197 169 1HZ LYS 20 HZ1 LYS 20 69.812 3.232 9.490 170 2HZ LYS 20 HZ2 LYS 20 68.748 4.195 10.400 171 3HZ LYS 20 HZ3 LYS 20 69.418 2.789 11.079 172 H THR 21 HN THR 21 75.783 3.305 14.710 173 HA THR 21 HA THR 21 74.320 5.330 16.108 174 HB THR 21 HB THR 21 75.409 4.378 18.142 175 HG1 THR 21 HG1 THR 21 76.953 2.839 17.906 176 1HG2 THR 21 HG21 THR 21 73.743 2.882 17.950 177 2HG2 THR 21 HG22 THR 21 74.830 1.845 17.027 178 3HG2 THR 21 HG23 THR 21 73.795 3.003 16.191 179 H ARG 22 HN ARG 22 77.670 5.070 15.105 180 HA ARG 22 HA ARG 22 78.560 7.300 16.763 181 1HB ARG 22 HB2 ARG 22 79.827 5.808 14.457 182 2HB ARG 22 HB1 ARG 22 80.614 7.153 15.281 183 1HG ARG 22 HG2 ARG 22 80.275 5.886 17.456 184 2HG ARG 22 HG1 ARG 22 79.744 4.512 16.485 185 1HD ARG 22 HD2 ARG 22 82.397 5.870 16.005 186 2HD ARG 22 HD1 ARG 22 82.221 4.548 17.155 187 HE ARG 22 HE ARG 22 81.069 3.695 14.716 188 1HH1 ARG 22 HH21 ARG 22 84.102 4.679 16.031 189 2HH1 ARG 22 HH22 ARG 22 85.037 3.685 14.965 190 1HH2 ARG 22 HH11 ARG 22 82.275 2.393 13.318 191 2HH2 ARG 22 HH12 ARG 22 84.003 2.391 13.429 192 H GLY 23 HN GLY 23 76.853 6.994 13.843 193 1HA GLY 23 HA2 GLY 23 75.848 9.069 12.936 194 2HA GLY 23 HA1 GLY 23 77.382 9.877 13.232 195 H VAL 24 HN VAL 24 76.623 6.753 11.678 196 HA VAL 24 HA VAL 24 78.035 7.769 9.235 197 HB VAL 24 HB VAL 24 78.081 5.015 10.459 198 1HG1 VAL 24 HG11 VAL 24 78.144 4.403 8.254 199 2HG1 VAL 24 HG12 VAL 24 79.836 4.873 8.419 200 3HG1 VAL 24 HG13 VAL 24 78.671 6.001 7.726 201 1HG2 VAL 24 HG21 VAL 24 80.417 5.410 10.799 202 2HG2 VAL 24 HG22 VAL 24 79.600 6.870 11.360 203 3HG2 VAL 24 HG23 VAL 24 80.384 6.850 9.781 204 H LYS 25 HN LYS 25 76.925 7.502 7.330 205 HA LYS 25 HA LYS 25 74.473 5.788 7.381 206 1HB LYS 25 HB2 LYS 25 74.777 8.576 6.234 207 2HB LYS 25 HB1 LYS 25 73.388 7.528 5.938 208 1HG LYS 25 HG2 LYS 25 72.934 7.430 8.356 209 2HG LYS 25 HG1 LYS 25 74.331 8.461 8.668 210 1HD LYS 25 HD2 LYS 25 73.298 10.258 7.314 211 2HD LYS 25 HD1 LYS 25 71.895 9.228 7.030 212 1HE LYS 25 HE2 LYS 25 71.223 10.559 8.854 213 2HE LYS 25 HE1 LYS 25 71.762 9.064 9.620 214 1HZ LYS 25 HZ1 LYS 25 72.785 11.677 9.927 215 2HZ LYS 25 HZ2 LYS 25 74.005 10.663 9.321 216 3HZ LYS 25 HZ3 LYS 25 73.205 10.266 10.767 217 H VAL 26 HN VAL 26 75.379 4.127 6.167 218 HA VAL 26 HA VAL 26 76.076 4.841 3.350 219 HB VAL 26 HB VAL 26 77.840 3.081 3.411 220 1HG1 VAL 26 HG11 VAL 26 79.274 4.754 3.871 221 2HG1 VAL 26 HG12 VAL 26 78.872 4.674 5.586 222 3HG1 VAL 26 HG13 VAL 26 77.922 5.689 4.506 223 1HG2 VAL 26 HG21 VAL 26 78.549 2.667 5.963 224 2HG2 VAL 26 HG22 VAL 26 77.413 1.605 5.134 225 3HG2 VAL 26 HG23 VAL 26 76.821 2.867 6.209 226 H LYS 27 HN LYS 27 75.777 3.009 1.856 227 HA LYS 27 HA LYS 27 73.350 1.529 2.525 228 1HB LYS 27 HB2 LYS 27 75.143 1.516 0.085 229 2HB LYS 27 HB1 LYS 27 73.653 0.579 0.207 230 1HG LYS 27 HG2 LYS 27 72.389 2.671 0.617 231 2HG LYS 27 HG1 LYS 27 73.881 3.597 0.444 232 1HD LYS 27 HD2 LYS 27 74.138 2.711 -1.863 233 2HD LYS 27 HD1 LYS 27 72.610 1.849 -1.685 234 1HE LYS 27 HE2 LYS 27 71.455 4.007 -1.282 235 2HE LYS 27 HE1 LYS 27 72.984 4.853 -1.518 236 1HZ LYS 27 HZ1 LYS 27 72.910 3.385 -3.721 237 2HZ LYS 27 HZ2 LYS 27 72.247 4.946 -3.628 238 3HZ LYS 27 HZ3 LYS 27 71.246 3.582 -3.471 239 H TYR 28 HN TYR 28 73.176 -0.791 2.578 240 HA TYR 28 HA TYR 28 75.294 -2.111 3.985 241 1HB TYR 28 HB2 TYR 28 72.960 -3.330 2.476 242 2HB TYR 28 HB1 TYR 28 73.953 -4.151 3.679 243 HD1 TYR 28 HD1 TYR 28 73.763 -3.633 6.050 244 HD2 TYR 28 HD2 TYR 28 71.406 -1.546 3.132 245 HE1 TYR 28 HE1 TYR 28 72.329 -2.725 7.859 246 HE2 TYR 28 HE2 TYR 28 69.971 -0.637 4.939 247 HH TYR 28 HH TYR 28 69.737 -1.839 7.877 248 H ALA 29 HN ALA 29 74.391 -1.973 0.573 249 HA ALA 29 HA ALA 29 76.089 -4.075 -0.361 250 1HB ALA 29 HB1 ALA 29 75.168 -3.488 -2.330 251 2HB ALA 29 HB2 ALA 29 75.953 -1.910 -2.263 252 3HB ALA 29 HB3 ALA 29 74.373 -2.142 -1.512 253 H ASP 30 HN ASP 30 76.728 -0.741 0.544 254 HA ASP 30 HA ASP 30 79.244 -0.393 -0.726 255 1HB ASP 30 HB2 ASP 30 78.075 1.459 0.385 256 2HB ASP 30 HB1 ASP 30 78.277 0.669 1.948 257 H LEU 31 HN LEU 31 78.473 -1.671 2.530 258 HA LEU 31 HA LEU 31 81.181 -2.241 3.262 259 1HB LEU 31 HB2 LEU 31 78.785 -3.872 4.138 260 2HB LEU 31 HB1 LEU 31 80.260 -3.529 5.042 261 HG LEU 31 HG LEU 31 78.027 -1.613 4.343 262 1HD1 LEU 31 HD11 LEU 31 79.284 -2.578 6.920 263 2HD1 LEU 31 HD12 LEU 31 77.634 -2.858 6.363 264 3HD1 LEU 31 HD13 LEU 31 78.143 -1.237 6.834 265 1HD2 LEU 31 HD21 LEU 31 80.854 -1.075 5.245 266 2HD2 LEU 31 HD22 LEU 31 79.546 0.056 5.583 267 3HD2 LEU 31 HD23 LEU 31 79.968 -0.329 3.914 268 H LEU 32 HN LEU 32 78.702 -4.229 1.645 269 HA LEU 32 HA LEU 32 80.260 -6.626 1.477 270 1HB LEU 32 HB2 LEU 32 78.090 -5.512 -0.320 271 2HB LEU 32 HB1 LEU 32 78.746 -7.139 -0.486 272 HG LEU 32 HG LEU 32 77.591 -6.087 2.111 273 1HD1 LEU 32 HD11 LEU 32 75.567 -6.191 1.110 274 2HD1 LEU 32 HD12 LEU 32 75.794 -7.940 1.074 275 3HD1 LEU 32 HD13 LEU 32 76.235 -6.963 -0.327 276 1HD2 LEU 32 HD21 LEU 32 78.836 -8.594 1.206 277 2HD2 LEU 32 HD22 LEU 32 77.268 -8.836 1.963 278 3HD2 LEU 32 HD23 LEU 32 78.550 -8.005 2.839 279 H LYS 33 HN LYS 33 79.972 -3.826 -0.713 280 HA LYS 33 HA LYS 33 81.763 -4.874 -2.716 281 1HB LYS 33 HB2 LYS 33 80.897 -2.052 -2.036 282 2HB LYS 33 HB1 LYS 33 81.933 -2.442 -3.409 283 1HG LYS 33 HG2 LYS 33 80.213 -3.898 -4.345 284 2HG LYS 33 HG1 LYS 33 79.179 -3.619 -2.943 285 1HD LYS 33 HD2 LYS 33 79.033 -1.238 -3.486 286 2HD LYS 33 HD1 LYS 33 80.134 -1.459 -4.849 287 1HE LYS 33 HE2 LYS 33 78.508 -3.026 -5.882 288 2HE LYS 33 HE1 LYS 33 77.403 -2.744 -4.537 289 1HZ LYS 33 HZ1 LYS 33 77.384 -0.385 -5.114 290 2HZ LYS 33 HZ2 LYS 33 76.838 -1.345 -6.406 291 3HZ LYS 33 HZ3 LYS 33 78.405 -0.690 -6.433 292 H PHE 34 HN PHE 34 82.207 -2.969 0.244 293 HA PHE 34 HA PHE 34 84.902 -2.171 -0.185 294 1HB PHE 34 HB2 PHE 34 83.797 -1.203 1.673 295 2HB PHE 34 HB1 PHE 34 83.306 -2.772 2.306 296 HD1 PHE 34 HD1 PHE 34 86.375 -0.780 1.490 297 HD2 PHE 34 HD2 PHE 34 84.602 -3.822 3.950 298 HE1 PHE 34 HE1 PHE 34 88.443 -0.882 2.856 299 HE2 PHE 34 HE2 PHE 34 86.669 -3.925 5.315 300 HZ PHE 34 HZ PHE 34 88.590 -2.456 4.767 301 H PHE 35 HN PHE 35 83.641 -5.107 1.416 302 HA PHE 35 HA PHE 35 86.211 -6.254 1.927 303 1HB PHE 35 HB2 PHE 35 83.438 -7.409 1.659 304 2HB PHE 35 HB1 PHE 35 84.837 -8.449 1.932 305 HD1 PHE 35 HD1 PHE 35 86.391 -7.841 3.917 306 HD2 PHE 35 HD2 PHE 35 82.394 -6.338 3.473 307 HE1 PHE 35 HE1 PHE 35 86.326 -7.299 6.337 308 HE2 PHE 35 HE2 PHE 35 82.328 -5.790 5.890 309 HZ PHE 35 HZ PHE 35 84.294 -6.273 7.323 310 H ASP 36 HN ASP 36 83.955 -6.611 -0.806 311 HA ASP 36 HA ASP 36 85.507 -8.555 -2.222 312 1HB ASP 36 HB2 ASP 36 83.390 -6.559 -2.998 313 2HB ASP 36 HB1 ASP 36 84.265 -7.428 -4.257 314 H PHE 37 HN PHE 37 85.530 -5.005 -2.280 315 HA PHE 37 HA PHE 37 87.405 -4.705 -4.401 316 1HB PHE 37 HB2 PHE 37 86.126 -2.804 -3.570 317 2HB PHE 37 HB1 PHE 37 86.895 -2.945 -1.989 318 HD1 PHE 37 HD1 PHE 37 87.939 -2.770 -5.599 319 HD2 PHE 37 HD2 PHE 37 88.655 -1.479 -1.564 320 HE1 PHE 37 HE1 PHE 37 89.814 -1.353 -6.385 321 HE2 PHE 37 HE2 PHE 37 90.523 -0.056 -2.353 322 HZ PHE 37 HZ PHE 37 91.109 0.002 -4.760 323 H VAL 38 HN VAL 38 87.892 -4.928 -0.879 324 HA VAL 38 HA VAL 38 90.708 -4.625 -0.864 325 HB VAL 38 HB VAL 38 89.028 -6.379 0.954 326 1HG1 VAL 38 HG11 VAL 38 91.335 -6.899 1.292 327 2HG1 VAL 38 HG12 VAL 38 90.909 -5.764 2.573 328 3HG1 VAL 38 HG13 VAL 38 91.808 -5.205 1.162 329 1HG2 VAL 38 HG21 VAL 38 89.933 -3.674 1.783 330 2HG2 VAL 38 HG22 VAL 38 88.412 -4.501 2.116 331 3HG2 VAL 38 HG23 VAL 38 88.664 -3.713 0.562 332 H LYS 39 HN LYS 39 88.701 -7.509 -1.398 333 HA LYS 39 HA LYS 39 91.037 -9.246 -1.623 334 1HB LYS 39 HB2 LYS 39 88.097 -9.655 -2.203 335 2HB LYS 39 HB1 LYS 39 89.302 -10.918 -2.446 336 1HG LYS 39 HG2 LYS 39 89.957 -10.750 -0.073 337 2HG LYS 39 HG1 LYS 39 88.749 -9.489 0.174 338 1HD LYS 39 HD2 LYS 39 86.977 -11.090 -0.530 339 2HD LYS 39 HD1 LYS 39 88.205 -12.348 -0.680 340 1HE LYS 39 HE2 LYS 39 88.766 -12.098 1.708 341 2HE LYS 39 HE1 LYS 39 87.549 -10.831 1.862 342 1HZ LYS 39 HZ1 LYS 39 85.859 -12.305 1.759 343 2HZ LYS 39 HZ2 LYS 39 87.036 -13.362 2.379 344 3HZ LYS 39 HZ3 LYS 39 86.677 -13.365 0.718 345 H ASP 40 HN ASP 40 89.234 -7.200 -3.715 346 HA ASP 40 HA ASP 40 89.796 -8.505 -6.210 347 1HB ASP 40 HB2 ASP 40 89.189 -5.620 -5.552 348 2HB ASP 40 HB1 ASP 40 89.331 -6.228 -7.188 349 H THR 41 HN THR 41 91.700 -6.605 -4.052 350 HA THR 41 HA THR 41 93.545 -5.421 -5.806 351 HB THR 41 HB THR 41 94.313 -6.753 -3.190 352 HG1 THR 41 HG1 THR 41 93.745 -4.596 -2.373 353 1HG2 THR 41 HG21 THR 41 95.434 -4.534 -4.886 354 2HG2 THR 41 HG22 THR 41 96.266 -5.904 -4.156 355 3HG2 THR 41 HG23 THR 41 95.730 -4.561 -3.149 356 H CYS 42 HN CYS 42 93.588 -8.709 -4.532 357 HA CYS 42 HA CYS 42 95.559 -9.424 -6.663 358 1HB CYS 42 HB2 CYS 42 95.712 -9.808 -3.777 359 2HB CYS 42 HB1 CYS 42 95.921 -11.320 -4.689 360 HG CYS 42 HG CYS 42 98.144 -9.709 -4.316 361 HA PRO 43 HA PRO 43 92.878 -13.470 -5.569 362 1HB PRO 43 HB2 PRO 43 90.568 -11.893 -4.521 363 2HB PRO 43 HB1 PRO 43 91.165 -13.484 -4.020 364 1HG PRO 43 HG2 PRO 43 91.613 -11.200 -2.628 365 2HG PRO 43 HG1 PRO 43 92.646 -12.618 -2.568 366 1HD PRO 43 HD2 PRO 43 93.232 -10.037 -3.656 367 2HD PRO 43 HD1 PRO 43 94.256 -11.427 -3.379 368 H TRP 44 HN TRP 44 91.229 -10.384 -6.357 369 HA TRP 44 HA TRP 44 90.511 -11.551 -9.000 370 1HB TRP 44 HB2 TRP 44 88.526 -10.013 -7.316 371 2HB TRP 44 HB1 TRP 44 88.230 -10.816 -8.843 372 HD1 TRP 44 HD1 TRP 44 89.256 -13.596 -8.582 373 HE1 TRP 44 HE1 TRP 44 88.394 -15.255 -6.806 374 HE3 TRP 44 HE3 TRP 44 87.323 -10.323 -5.176 375 HZ2 TRP 44 HZ2 TRP 44 87.060 -15.197 -4.275 376 HZ3 TRP 44 HZ3 TRP 44 86.264 -11.144 -3.097 377 HH2 TRP 44 HH2 TRP 44 86.131 -13.577 -2.641 378 H PHE 45 HN PHE 45 88.840 -9.096 -9.437 379 HA PHE 45 HA PHE 45 90.478 -6.764 -9.119 380 1HB PHE 45 HB2 PHE 45 91.368 -8.510 -11.148 381 2HB PHE 45 HB1 PHE 45 90.545 -7.190 -11.982 382 HD1 PHE 45 HD1 PHE 45 91.221 -4.822 -11.553 383 HD2 PHE 45 HD2 PHE 45 93.452 -8.161 -10.024 384 HE1 PHE 45 HE1 PHE 45 93.163 -3.337 -11.139 385 HE2 PHE 45 HE2 PHE 45 95.390 -6.676 -9.607 386 HZ PHE 45 HZ PHE 45 95.247 -4.265 -10.166 387 HA PRO 46 HA PRO 46 86.871 -6.149 -12.422 388 1HB PRO 46 HB2 PRO 46 85.287 -8.584 -11.794 389 2HB PRO 46 HB1 PRO 46 85.632 -7.836 -13.365 390 1HG PRO 46 HG2 PRO 46 86.806 -10.107 -12.606 391 2HG PRO 46 HG1 PRO 46 87.661 -8.892 -13.572 392 1HD PRO 46 HD2 PRO 46 87.891 -9.506 -10.675 393 2HD PRO 46 HD1 PRO 46 89.151 -9.037 -11.819 394 H GLN 47 HN GLN 47 85.175 -4.854 -11.741 395 HA GLN 47 HA GLN 47 84.282 -5.207 -8.911 396 1HB GLN 47 HB2 GLN 47 84.204 -2.772 -10.718 397 2HB GLN 47 HB1 GLN 47 83.631 -2.820 -9.050 398 1HG GLN 47 HG2 GLN 47 86.469 -3.454 -9.907 399 2HG GLN 47 HG1 GLN 47 85.949 -1.906 -9.241 400 1HE2 GLN 47 HE21 GLN 47 87.825 -4.017 -8.081 401 2HE2 GLN 47 HE22 GLN 47 87.178 -4.367 -6.552 402 H GLU 48 HN GLU 48 81.995 -4.816 -8.447 403 HA GLU 48 HA GLU 48 80.190 -5.152 -10.803 404 1HB GLU 48 HB2 GLU 48 78.903 -6.851 -9.556 405 2HB GLU 48 HB1 GLU 48 80.563 -7.382 -9.827 406 1HG GLU 48 HG2 GLU 48 81.171 -6.619 -7.550 407 2HG GLU 48 HG1 GLU 48 79.499 -6.130 -7.275 408 H GLY 49 HN GLY 49 78.151 -4.189 -10.549 409 1HA GLY 49 HA2 GLY 49 76.440 -2.976 -9.421 410 2HA GLY 49 HA1 GLY 49 77.410 -3.023 -7.949 411 H THR 50 HN THR 50 77.012 -0.714 -7.691 412 HA THR 50 HA THR 50 78.756 0.940 -9.476 413 HB THR 50 HB THR 50 76.104 1.761 -8.257 414 HG1 THR 50 HG1 THR 50 75.556 0.636 -9.990 415 1HG2 THR 50 HG21 THR 50 78.195 3.210 -9.881 416 2HG2 THR 50 HG22 THR 50 77.479 3.692 -8.343 417 3HG2 THR 50 HG23 THR 50 76.520 3.759 -9.821 418 H ILE 51 HN ILE 51 80.241 2.130 -8.389 419 HA ILE 51 HA ILE 51 80.232 1.994 -5.445 420 HB ILE 51 HB ILE 51 82.221 2.675 -7.560 421 1HG1 ILE 51 HG12 ILE 51 81.876 0.479 -6.100 422 2HG1 ILE 51 HG11 ILE 51 83.496 1.042 -6.510 423 1HG2 ILE 51 HG21 ILE 51 82.476 4.686 -6.337 424 2HG2 ILE 51 HG22 ILE 51 83.697 3.614 -5.665 425 3HG2 ILE 51 HG23 ILE 51 82.194 3.888 -4.788 426 1HD1 ILE 51 HD11 ILE 51 83.831 2.009 -4.365 427 2HD1 ILE 51 HD12 ILE 51 83.042 0.471 -4.025 428 3HD1 ILE 51 HD13 ILE 51 82.112 1.967 -3.987 429 H ASP 52 HN ASP 52 79.658 3.668 -4.141 430 HA ASP 52 HA ASP 52 78.802 6.197 -5.440 431 1HB ASP 52 HB2 ASP 52 77.410 4.873 -3.682 432 2HB ASP 52 HB1 ASP 52 78.538 5.564 -2.512 433 H ILE 53 HN ILE 53 80.091 7.987 -5.333 434 HA ILE 53 HA ILE 53 82.720 8.030 -4.428 435 HB ILE 53 HB ILE 53 80.715 10.314 -4.499 436 1HG1 ILE 53 HG12 ILE 53 82.953 9.689 -6.434 437 2HG1 ILE 53 HG11 ILE 53 81.336 9.012 -6.630 438 1HG2 ILE 53 HG21 ILE 53 83.051 11.565 -4.803 439 2HG2 ILE 53 HG22 ILE 53 83.619 10.210 -3.832 440 3HG2 ILE 53 HG23 ILE 53 82.366 11.277 -3.204 441 1HD1 ILE 53 HD11 ILE 53 82.103 11.942 -6.596 442 2HD1 ILE 53 HD12 ILE 53 80.434 11.374 -6.538 443 3HD1 ILE 53 HD13 ILE 53 81.432 11.029 -7.948 444 H LYS 54 HN LYS 54 79.872 7.999 -2.516 445 HA LYS 54 HA LYS 54 80.875 9.318 -0.173 446 1HB LYS 54 HB2 LYS 54 78.754 7.177 -0.513 447 2HB LYS 54 HB1 LYS 54 79.065 8.015 1.005 448 1HG LYS 54 HG2 LYS 54 78.574 9.618 -1.485 449 2HG LYS 54 HG1 LYS 54 77.203 8.923 -0.619 450 1HD LYS 54 HD2 LYS 54 77.972 10.034 1.460 451 2HD LYS 54 HD1 LYS 54 79.305 10.763 0.574 452 1HE LYS 54 HE2 LYS 54 77.672 11.868 -0.934 453 2HE LYS 54 HE1 LYS 54 76.361 11.197 0.035 454 1HZ LYS 54 HZ1 LYS 54 78.151 12.405 1.786 455 2HZ LYS 54 HZ2 LYS 54 76.574 12.905 1.400 456 3HZ LYS 54 HZ3 LYS 54 77.898 13.503 0.519 457 H PHE 55 HN PHE 55 81.101 6.007 -1.357 458 HA PHE 55 HA PHE 55 82.392 5.070 1.105 459 1HB PHE 55 HB2 PHE 55 82.440 3.548 -1.476 460 2HB PHE 55 HB1 PHE 55 82.292 2.941 0.172 461 HD1 PHE 55 HD1 PHE 55 80.131 4.879 1.138 462 HD2 PHE 55 HD2 PHE 55 80.491 2.544 -2.450 463 HE1 PHE 55 HE1 PHE 55 77.680 4.868 0.903 464 HE2 PHE 55 HE2 PHE 55 78.029 2.530 -2.684 465 HZ PHE 55 HZ PHE 55 76.618 3.693 -1.006 466 H TRP 56 HN TRP 56 83.384 6.722 -1.676 467 HA TRP 56 HA TRP 56 85.946 5.606 -2.118 468 1HB TRP 56 HB2 TRP 56 85.103 7.232 -3.686 469 2HB TRP 56 HB1 TRP 56 84.943 8.443 -2.418 470 HD1 TRP 56 HD1 TRP 56 87.999 6.181 -3.001 471 HE1 TRP 56 HE1 TRP 56 90.041 7.675 -3.447 472 HE3 TRP 56 HE3 TRP 56 85.740 10.759 -3.079 473 HZ2 TRP 56 HZ2 TRP 56 90.646 10.451 -3.788 474 HZ3 TRP 56 HZ3 TRP 56 87.071 12.810 -3.466 475 HH2 TRP 56 HH2 TRP 56 89.520 12.663 -3.820 476 H ARG 57 HN ARG 57 84.913 8.126 0.166 477 HA ARG 57 HA ARG 57 87.525 8.699 1.189 478 1HB ARG 57 HB2 ARG 57 84.764 8.966 2.402 479 2HB ARG 57 HB1 ARG 57 86.227 9.516 3.219 480 1HG ARG 57 HG2 ARG 57 86.366 11.360 1.926 481 2HG ARG 57 HG1 ARG 57 86.119 10.429 0.449 482 1HD ARG 57 HD2 ARG 57 84.289 12.048 0.780 483 2HD ARG 57 HD1 ARG 57 83.690 10.389 0.875 484 HE ARG 57 HE ARG 57 84.417 11.521 3.473 485 1HH1 ARG 57 HH21 ARG 57 82.018 11.139 1.025 486 2HH1 ARG 57 HH22 ARG 57 80.686 11.383 2.106 487 1HH2 ARG 57 HH11 ARG 57 82.691 11.841 4.897 488 2HH2 ARG 57 HH12 ARG 57 81.068 11.780 4.299 489 H ARG 58 HN ARG 58 85.045 6.338 2.163 490 HA ARG 58 HA ARG 58 86.520 5.374 4.452 491 1HB ARG 58 HB2 ARG 58 84.309 4.163 2.771 492 2HB ARG 58 HB1 ARG 58 84.975 3.369 4.203 493 1HG ARG 58 HG2 ARG 58 84.361 5.292 5.593 494 2HG ARG 58 HG1 ARG 58 83.755 6.146 4.173 495 1HD ARG 58 HD2 ARG 58 81.873 5.138 5.344 496 2HD ARG 58 HD1 ARG 58 82.114 4.291 3.815 497 HE ARG 58 HE ARG 58 83.534 3.046 6.038 498 1HH1 ARG 58 HH21 ARG 58 80.563 3.381 4.320 499 2HH1 ARG 58 HH22 ARG 58 79.961 1.827 4.792 500 1HH2 ARG 58 HH11 ARG 58 82.765 1.015 6.663 501 2HH2 ARG 58 HH12 ARG 58 81.209 0.487 6.119 502 H VAL 59 HN VAL 59 86.157 4.164 1.105 503 HA VAL 59 HA VAL 59 87.905 1.918 1.440 504 HB VAL 59 HB VAL 59 87.192 3.509 -1.042 505 1HG1 VAL 59 HG11 VAL 59 88.891 2.335 -1.979 506 2HG1 VAL 59 HG12 VAL 59 87.829 0.936 -1.820 507 3HG1 VAL 59 HG13 VAL 59 89.038 1.270 -0.580 508 1HG2 VAL 59 HG21 VAL 59 85.311 2.233 -1.173 509 2HG2 VAL 59 HG22 VAL 59 85.577 1.944 0.547 510 3HG2 VAL 59 HG23 VAL 59 86.157 0.777 -0.643 511 H GLY 60 HN GLY 60 88.495 5.213 0.210 512 1HA GLY 60 HA2 GLY 60 91.262 4.857 -0.368 513 2HA GLY 60 HA1 GLY 60 90.503 6.409 -0.007 514 H ASP 61 HN ASP 61 89.636 5.992 2.603 515 HA ASP 61 HA ASP 61 92.077 6.378 4.078 516 1HB ASP 61 HB2 ASP 61 89.170 6.086 4.802 517 2HB ASP 61 HB1 ASP 61 90.389 6.039 6.075 518 H CYS 62 HN CYS 62 89.925 3.609 3.647 519 HA CYS 62 HA CYS 62 91.172 1.956 5.642 520 1HB CYS 62 HB2 CYS 62 89.603 1.244 3.148 521 2HB CYS 62 HB1 CYS 62 90.089 0.074 4.378 522 HG CYS 62 HG CYS 62 88.283 0.893 5.876 523 H PHE 63 HN PHE 63 91.640 2.204 2.110 524 HA PHE 63 HA PHE 63 93.716 0.232 1.973 525 1HB PHE 63 HB2 PHE 63 92.633 2.343 0.204 526 2HB PHE 63 HB1 PHE 63 94.309 1.888 -0.105 527 HD1 PHE 63 HD1 PHE 63 91.412 -0.144 1.128 528 HD2 PHE 63 HD2 PHE 63 94.297 0.490 -1.990 529 HE1 PHE 63 HE1 PHE 63 90.642 -2.211 -0.005 530 HE2 PHE 63 HE2 PHE 63 93.527 -1.577 -3.123 531 HZ PHE 63 HZ PHE 63 91.699 -2.926 -2.130 532 H GLN 64 HN GLN 64 93.782 3.747 2.480 533 HA GLN 64 HA GLN 64 96.601 4.088 2.357 534 1HB GLN 64 HB2 GLN 64 94.919 5.951 2.431 535 2HB GLN 64 HB1 GLN 64 94.657 5.589 4.137 536 1HG GLN 64 HG2 GLN 64 96.924 6.134 4.693 537 2HG GLN 64 HG1 GLN 64 97.382 6.228 2.993 538 1HE2 GLN 64 HE21 GLN 64 97.735 8.446 4.820 539 2HE2 GLN 64 HE22 GLN 64 96.711 9.701 4.311 540 H ASP 65 HN ASP 65 94.474 3.088 5.016 541 HA ASP 65 HA ASP 65 96.469 3.161 7.071 542 1HB ASP 65 HB2 ASP 65 93.877 1.656 6.710 543 2HB ASP 65 HB1 ASP 65 94.911 1.339 8.102 544 H TYR 66 HN TYR 66 95.351 0.480 4.996 545 HA TYR 66 HA TYR 66 97.159 -1.467 6.033 546 1HB TYR 66 HB2 TYR 66 95.797 -1.186 3.347 547 2HB TYR 66 HB1 TYR 66 96.812 -2.568 3.749 548 HD1 TYR 66 HD1 TYR 66 96.283 -3.690 6.100 549 HD2 TYR 66 HD2 TYR 66 93.512 -1.309 3.838 550 HE1 TYR 66 HE1 TYR 66 94.391 -4.739 7.312 551 HE2 TYR 66 HE2 TYR 66 91.621 -2.358 5.051 552 HH TYR 66 HH TYR 66 91.101 -4.296 6.319 553 H TYR 67 HN TYR 67 97.513 0.975 3.493 554 HA TYR 67 HA TYR 67 99.990 0.049 2.441 555 1HB TYR 67 HB2 TYR 67 99.087 1.708 1.110 556 2HB TYR 67 HB1 TYR 67 98.542 2.659 2.491 557 HD1 TYR 67 HD1 TYR 67 101.683 1.481 0.818 558 HD2 TYR 67 HD2 TYR 67 99.779 4.528 3.169 559 HE1 TYR 67 HE1 TYR 67 103.732 2.870 0.674 560 HE2 TYR 67 HE2 TYR 67 101.826 5.918 3.025 561 HH TYR 67 HH TYR 67 103.835 6.055 1.271 562 H ASN 68 HN ASN 68 99.411 2.607 4.870 563 HA ASN 68 HA ASN 68 102.182 2.924 5.524 564 1HB ASN 68 HB2 ASN 68 99.626 3.604 6.988 565 2HB ASN 68 HB1 ASN 68 101.214 3.940 7.678 566 1HD2 ASN 68 HD21 ASN 68 102.751 5.111 5.948 567 2HD2 ASN 68 HD22 ASN 68 102.019 6.373 5.083 568 H THR 69 HN THR 69 99.635 0.834 6.796 569 HA THR 69 HA THR 69 101.073 -0.105 9.076 570 HB THR 69 HB THR 69 99.030 -1.650 7.456 571 HG1 THR 69 HG1 THR 69 98.355 0.482 8.084 572 1HG2 THR 69 HG21 THR 69 99.910 -1.762 10.353 573 2HG2 THR 69 HG22 THR 69 100.145 -3.009 9.130 574 3HG2 THR 69 HG23 THR 69 98.520 -2.632 9.702 575 H PHE 70 HN PHE 70 100.808 -1.414 5.775 576 HA PHE 70 HA PHE 70 103.144 -3.178 6.406 577 1HB PHE 70 HB2 PHE 70 100.850 -3.531 4.480 578 2HB PHE 70 HB1 PHE 70 102.270 -4.570 4.480 579 HD1 PHE 70 HD1 PHE 70 99.028 -4.075 5.864 580 HD2 PHE 70 HD2 PHE 70 102.925 -5.624 6.794 581 HE1 PHE 70 HE1 PHE 70 98.055 -5.418 7.708 582 HE2 PHE 70 HE2 PHE 70 101.952 -6.966 8.638 583 HZ PHE 70 HZ PHE 70 99.517 -6.863 9.094 584 H GLY 71 HN GLY 71 101.605 -1.419 3.702 585 1HA GLY 71 HA2 GLY 71 103.434 0.247 2.740 586 2HA GLY 71 HA1 GLY 71 104.266 -1.261 2.389 587 HA PRO 72 HA PRO 72 101.495 -0.122 -1.198 588 1HB PRO 72 HB2 PRO 72 103.831 -0.843 -2.816 589 2HB PRO 72 HB1 PRO 72 102.914 0.673 -2.786 590 1HG PRO 72 HG2 PRO 72 105.437 0.415 -1.819 591 2HG PRO 72 HG1 PRO 72 104.272 1.614 -1.237 592 1HD PRO 72 HD2 PRO 72 105.150 -0.938 0.040 593 2HD PRO 72 HD1 PRO 72 104.656 0.594 0.791 594 H GLU 73 HN GLU 73 103.490 -2.864 -0.379 595 HA GLU 73 HA GLU 73 102.780 -4.675 -2.427 596 1HB GLU 73 HB2 GLU 73 103.309 -5.145 0.518 597 2HB GLU 73 HB1 GLU 73 103.122 -6.452 -0.651 598 1HG GLU 73 HG2 GLU 73 105.006 -5.559 -1.962 599 2HG GLU 73 HG1 GLU 73 105.184 -4.232 -0.815 600 H LYS 74 HN LYS 74 101.168 -4.238 0.741 601 HA LYS 74 HA LYS 74 98.964 -5.946 0.150 602 1HB LYS 74 HB2 LYS 74 99.154 -3.560 2.008 603 2HB LYS 74 HB1 LYS 74 97.822 -4.706 2.004 604 1HG LYS 74 HG2 LYS 74 100.720 -5.454 2.470 605 2HG LYS 74 HG1 LYS 74 99.528 -5.219 3.744 606 1HD LYS 74 HD2 LYS 74 98.121 -6.971 2.381 607 2HD LYS 74 HD1 LYS 74 99.686 -7.404 1.693 608 1HE LYS 74 HE2 LYS 74 100.599 -7.884 3.862 609 2HE LYS 74 HE1 LYS 74 99.150 -7.276 4.664 610 1HZ LYS 74 HZ1 LYS 74 99.601 -9.810 3.351 611 2HZ LYS 74 HZ2 LYS 74 98.109 -9.079 2.998 612 3HZ LYS 74 HZ3 LYS 74 98.537 -9.408 4.609 613 H VAL 75 HN VAL 75 99.467 -2.494 -0.391 614 HA VAL 75 HA VAL 75 97.250 -2.566 -2.357 615 HB VAL 75 HB VAL 75 96.448 -0.332 -1.352 616 1HG1 VAL 75 HG11 VAL 75 96.046 -2.886 0.237 617 2HG1 VAL 75 HG12 VAL 75 95.194 -2.483 -1.255 618 3HG1 VAL 75 HG13 VAL 75 94.951 -1.504 0.192 619 1HG2 VAL 75 HG21 VAL 75 97.087 0.243 0.805 620 2HG2 VAL 75 HG22 VAL 75 98.590 -0.471 0.223 621 3HG2 VAL 75 HG23 VAL 75 97.499 -1.416 1.236 622 HA PRO 76 HA PRO 76 101.088 -0.372 -3.801 623 1HB PRO 76 HB2 PRO 76 99.902 -1.313 -6.365 624 2HB PRO 76 HB1 PRO 76 101.576 -1.427 -5.791 625 1HG PRO 76 HG2 PRO 76 99.997 -3.561 -5.856 626 2HG PRO 76 HG1 PRO 76 101.151 -3.309 -4.538 627 1HD PRO 76 HD2 PRO 76 98.182 -2.914 -4.541 628 2HD PRO 76 HD1 PRO 76 99.235 -3.532 -3.247 629 H VAL 77 HN VAL 77 101.236 1.632 -4.941 630 HA VAL 77 HA VAL 77 99.090 3.424 -4.783 631 HB VAL 77 HB VAL 77 100.341 4.744 -6.571 632 1HG1 VAL 77 HG11 VAL 77 101.328 5.518 -4.700 633 2HG1 VAL 77 HG12 VAL 77 102.573 4.288 -4.911 634 3HG1 VAL 77 HG13 VAL 77 101.164 3.952 -3.907 635 1HG2 VAL 77 HG21 VAL 77 102.527 3.847 -7.261 636 2HG2 VAL 77 HG22 VAL 77 101.234 2.762 -7.770 637 3HG2 VAL 77 HG23 VAL 77 102.215 2.364 -6.360 638 H THR 78 HN THR 78 99.426 0.810 -6.919 639 HA THR 78 HA THR 78 98.100 1.818 -9.245 640 HB THR 78 HB THR 78 99.307 -0.472 -8.834 641 HG1 THR 78 HG1 THR 78 98.451 -1.043 -10.691 642 1HG2 THR 78 HG21 THR 78 96.467 -1.348 -8.300 643 2HG2 THR 78 HG22 THR 78 97.604 -1.023 -6.990 644 3HG2 THR 78 HG23 THR 78 97.948 -2.290 -8.161 645 H ALA 79 HN ALA 79 96.899 0.617 -6.153 646 HA ALA 79 HA ALA 79 94.176 0.239 -6.844 647 1HB ALA 79 HB1 ALA 79 95.373 -0.276 -4.615 648 2HB ALA 79 HB2 ALA 79 93.721 0.332 -4.513 649 3HB ALA 79 HB3 ALA 79 95.078 1.416 -4.210 650 H PHE 80 HN PHE 80 95.918 3.179 -5.847 651 HA PHE 80 HA PHE 80 93.610 4.887 -5.809 652 1HB PHE 80 HB2 PHE 80 96.550 5.485 -6.234 653 2HB PHE 80 HB1 PHE 80 95.313 6.730 -6.053 654 HD1 PHE 80 HD1 PHE 80 94.561 7.386 -3.912 655 HD2 PHE 80 HD2 PHE 80 96.785 3.740 -4.368 656 HE1 PHE 80 HE1 PHE 80 94.687 7.156 -1.447 657 HE2 PHE 80 HE2 PHE 80 96.912 3.510 -1.902 658 HZ PHE 80 HZ PHE 80 95.863 5.217 -0.441 659 H SER 81 HN SER 81 95.988 4.102 -8.345 660 HA SER 81 HA SER 81 94.978 5.901 -10.322 661 1HB SER 81 HB2 SER 81 97.142 4.686 -10.521 662 2HB SER 81 HB1 SER 81 96.257 3.179 -10.735 663 HG SER 81 HG SER 81 96.236 3.722 -12.762 664 H TYR 82 HN TYR 82 94.140 2.507 -9.594 665 HA TYR 82 HA TYR 82 92.207 2.245 -11.694 666 1HB TYR 82 HB2 TYR 82 92.676 0.797 -9.093 667 2HB TYR 82 HB1 TYR 82 91.280 0.411 -10.098 668 HD1 TYR 82 HD1 TYR 82 94.604 -0.468 -9.451 669 HD2 TYR 82 HD2 TYR 82 91.902 0.199 -12.726 670 HE1 TYR 82 HE1 TYR 82 96.040 -1.854 -10.920 671 HE2 TYR 82 HE2 TYR 82 93.339 -1.184 -14.192 672 HH TYR 82 HH TYR 82 96.438 -2.471 -13.047 673 H TRP 83 HN TRP 83 91.920 3.239 -8.293 674 HA TRP 83 HA TRP 83 89.074 3.500 -8.273 675 1HB TRP 83 HB2 TRP 83 90.862 3.625 -6.327 676 2HB TRP 83 HB1 TRP 83 90.788 5.355 -6.665 677 HD1 TRP 83 HD1 TRP 83 88.522 6.620 -6.176 678 HE1 TRP 83 HE1 TRP 83 86.451 5.997 -4.775 679 HE3 TRP 83 HE3 TRP 83 89.343 1.618 -5.570 680 HZ2 TRP 83 HZ2 TRP 83 85.294 3.682 -3.559 681 HZ3 TRP 83 HZ3 TRP 83 87.740 0.231 -4.288 682 HH2 TRP 83 HH2 TRP 83 85.722 1.250 -3.283 683 H ASN 84 HN ASN 84 91.664 5.696 -9.261 684 HA ASN 84 HA ASN 84 90.135 8.077 -9.511 685 1HB ASN 84 HB2 ASN 84 92.546 7.022 -11.001 686 2HB ASN 84 HB1 ASN 84 91.844 8.595 -11.376 687 1HD2 ASN 84 HD21 ASN 84 94.499 8.301 -10.263 688 2HD2 ASN 84 HD22 ASN 84 94.487 8.988 -8.712 689 H LEU 85 HN LEU 85 90.672 5.407 -11.815 690 HA LEU 85 HA LEU 85 89.138 6.549 -13.966 691 1HB LEU 85 HB2 LEU 85 89.732 3.671 -13.236 692 2HB LEU 85 HB1 LEU 85 88.953 4.151 -14.739 693 HG LEU 85 HG LEU 85 91.637 5.236 -13.836 694 1HD1 LEU 85 HD11 LEU 85 92.599 3.324 -14.521 695 2HD1 LEU 85 HD12 LEU 85 91.854 3.515 -16.106 696 3HD1 LEU 85 HD13 LEU 85 91.011 2.630 -14.840 697 1HD2 LEU 85 HD21 LEU 85 91.023 6.724 -15.461 698 2HD2 LEU 85 HD22 LEU 85 89.846 5.632 -16.178 699 3HD2 LEU 85 HD23 LEU 85 91.556 5.442 -16.544 700 H ILE 86 HN ILE 86 88.243 4.462 -11.229 701 HA ILE 86 HA ILE 86 85.526 4.046 -12.022 702 HB ILE 86 HB ILE 86 86.964 3.967 -9.372 703 1HG1 ILE 86 HG12 ILE 86 86.947 2.160 -11.321 704 2HG1 ILE 86 HG11 ILE 86 86.864 1.662 -9.631 705 1HG2 ILE 86 HG21 ILE 86 84.857 4.682 -8.624 706 2HG2 ILE 86 HG22 ILE 86 84.706 2.930 -8.571 707 3HG2 ILE 86 HG23 ILE 86 84.008 3.838 -9.916 708 1HD1 ILE 86 HD11 ILE 86 84.367 2.199 -11.251 709 2HD1 ILE 86 HD12 ILE 86 84.513 1.307 -9.735 710 3HD1 ILE 86 HD13 ILE 86 85.137 0.614 -11.227 711 H LYS 87 HN LYS 87 87.037 6.522 -9.956 712 HA LYS 87 HA LYS 87 84.699 7.872 -9.167 713 1HB LYS 87 HB2 LYS 87 86.964 8.357 -8.281 714 2HB LYS 87 HB1 LYS 87 87.371 9.125 -9.816 715 1HG LYS 87 HG2 LYS 87 85.520 10.740 -9.490 716 2HG LYS 87 HG1 LYS 87 85.139 9.978 -7.946 717 1HD LYS 87 HD2 LYS 87 87.360 10.550 -7.088 718 2HD LYS 87 HD1 LYS 87 87.798 11.258 -8.643 719 1HE LYS 87 HE2 LYS 87 85.946 12.893 -8.396 720 2HE LYS 87 HE1 LYS 87 85.569 12.208 -6.815 721 1HZ LYS 87 HZ1 LYS 87 86.981 14.178 -6.654 722 2HZ LYS 87 HZ2 LYS 87 88.174 13.409 -7.589 723 3HZ LYS 87 HZ3 LYS 87 87.768 12.801 -6.054 724 H GLU 88 HN GLU 88 86.576 8.124 -12.155 725 HA GLU 88 HA GLU 88 85.081 10.364 -13.207 726 1HB GLU 88 HB2 GLU 88 86.757 8.254 -14.604 727 2HB GLU 88 HB1 GLU 88 86.124 9.707 -15.379 728 1HG GLU 88 HG2 GLU 88 87.365 11.118 -13.796 729 2HG GLU 88 HG1 GLU 88 87.974 9.679 -12.977 730 H LEU 89 HN LEU 89 84.813 6.835 -13.542 731 HA LEU 89 HA LEU 89 82.757 6.864 -15.517 732 1HB LEU 89 HB2 LEU 89 83.846 4.891 -13.581 733 2HB LEU 89 HB1 LEU 89 82.218 4.566 -14.176 734 HG LEU 89 HG LEU 89 83.092 4.826 -16.519 735 1HD1 LEU 89 HD11 LEU 89 85.428 4.979 -16.944 736 2HD1 LEU 89 HD12 LEU 89 85.832 4.680 -15.258 737 3HD1 LEU 89 HD13 LEU 89 85.110 6.211 -15.734 738 1HD2 LEU 89 HD21 LEU 89 84.214 2.654 -16.575 739 2HD2 LEU 89 HD22 LEU 89 82.871 2.606 -15.433 740 3HD2 LEU 89 HD23 LEU 89 84.527 2.747 -14.842 741 H ILE 90 HN ILE 90 82.538 6.642 -11.972 742 HA ILE 90 HA ILE 90 79.644 6.717 -11.983 743 HB ILE 90 HB ILE 90 79.848 6.973 -9.565 744 1HG1 ILE 90 HG12 ILE 90 82.721 7.599 -10.247 745 2HG1 ILE 90 HG11 ILE 90 81.579 8.626 -9.382 746 1HG2 ILE 90 HG21 ILE 90 80.443 4.772 -10.781 747 2HG2 ILE 90 HG22 ILE 90 80.955 4.937 -9.102 748 3HG2 ILE 90 HG23 ILE 90 82.118 5.175 -10.405 749 1HD1 ILE 90 HD11 ILE 90 82.891 6.090 -8.404 750 2HD1 ILE 90 HD12 ILE 90 81.450 6.757 -7.635 751 3HD1 ILE 90 HD13 ILE 90 82.940 7.694 -7.677 752 H ASP 91 HN ASP 91 82.187 9.144 -11.450 753 HA ASP 91 HA ASP 91 80.448 11.306 -10.793 754 1HB ASP 91 HB2 ASP 91 82.887 11.401 -10.439 755 2HB ASP 91 HB1 ASP 91 83.146 11.379 -12.184 756 H LYS 92 HN LYS 92 81.583 10.039 -13.902 757 HA LYS 92 HA LYS 92 80.619 12.151 -15.555 758 1HB LYS 92 HB2 LYS 92 82.106 10.285 -16.323 759 2HB LYS 92 HB1 LYS 92 80.724 9.194 -16.228 760 1HG LYS 92 HG2 LYS 92 79.504 10.593 -17.858 761 2HG LYS 92 HG1 LYS 92 80.888 11.680 -17.954 762 1HD LYS 92 HD2 LYS 92 82.297 9.822 -18.764 763 2HD LYS 92 HD1 LYS 92 80.907 8.737 -18.685 764 1HE LYS 92 HE2 LYS 92 79.707 10.163 -20.310 765 2HE LYS 92 HE1 LYS 92 81.108 11.230 -20.402 766 1HZ LYS 92 HZ1 LYS 92 80.769 9.272 -22.093 767 2HZ LYS 92 HZ2 LYS 92 81.521 8.370 -20.865 768 3HZ LYS 92 HZ3 LYS 92 82.316 9.705 -21.552 769 H LYS 93 HN LYS 93 79.016 9.174 -14.403 770 HA LYS 93 HA LYS 93 76.500 9.918 -15.713 771 1HB LYS 93 HB2 LYS 93 77.201 7.535 -15.398 772 2HB LYS 93 HB1 LYS 93 77.023 7.751 -13.656 773 1HG LYS 93 HG2 LYS 93 74.668 8.212 -13.878 774 2HG LYS 93 HG1 LYS 93 74.789 8.259 -15.638 775 1HD LYS 93 HD2 LYS 93 75.467 5.874 -15.639 776 2HD LYS 93 HD1 LYS 93 75.288 5.834 -13.885 777 1HE LYS 93 HE2 LYS 93 73.080 6.480 -15.862 778 2HE LYS 93 HE1 LYS 93 73.270 4.951 -15.005 779 1HZ LYS 93 HZ1 LYS 93 72.085 7.352 -14.106 780 2HZ LYS 93 HZ2 LYS 93 73.386 6.946 -13.093 781 3HZ LYS 93 HZ3 LYS 93 72.126 5.836 -13.348 782 H GLU 94 HN GLU 94 74.802 10.980 -14.752 783 HA GLU 94 HA GLU 94 75.266 12.131 -12.081 784 1HB GLU 94 HB2 GLU 94 73.085 12.523 -14.148 785 2HB GLU 94 HB1 GLU 94 73.100 13.339 -12.584 786 1HG GLU 94 HG2 GLU 94 75.257 14.366 -13.104 787 2HG GLU 94 HG1 GLU 94 75.325 13.497 -14.637 788 H VAL 95 HN VAL 95 74.492 11.170 -10.271 789 HA VAL 95 HA VAL 95 72.018 9.507 -10.485 790 HB VAL 95 HB VAL 95 74.024 8.033 -10.434 791 1HG1 VAL 95 HG11 VAL 95 75.736 8.398 -9.009 792 2HG1 VAL 95 HG12 VAL 95 74.647 8.527 -7.632 793 3HG1 VAL 95 HG13 VAL 95 74.978 9.944 -8.631 794 1HG2 VAL 95 HG21 VAL 95 71.774 7.506 -9.299 795 2HG2 VAL 95 HG22 VAL 95 72.582 7.900 -7.781 796 3HG2 VAL 95 HG23 VAL 95 73.168 6.565 -8.768 797 H ASN 96 HN ASN 96 71.005 9.177 -8.295 798 HA ASN 96 HA ASN 96 71.628 11.448 -6.442 799 1HB ASN 96 HB2 ASN 96 69.608 11.888 -7.842 800 2HB ASN 96 HB1 ASN 96 68.862 10.453 -7.138 801 1HD2 ASN 96 HD21 ASN 96 69.374 10.556 -4.484 802 2HD2 ASN 96 HD22 ASN 96 68.848 12.014 -3.790 803 HA PRO 97 HA PRO 97 71.787 7.373 -4.199 804 1HB PRO 97 HB2 PRO 97 73.686 8.976 -2.575 805 2HB PRO 97 HB1 PRO 97 73.887 7.361 -3.276 806 1HG PRO 97 HG2 PRO 97 75.154 9.475 -4.281 807 2HG PRO 97 HG1 PRO 97 74.529 8.186 -5.325 808 1HD PRO 97 HD2 PRO 97 73.384 10.911 -4.811 809 2HD PRO 97 HD1 PRO 97 73.455 9.983 -6.321 810 H GLN 98 HN GLN 98 72.387 7.853 -1.377 811 HA GLN 98 HA GLN 98 69.733 8.467 -0.434 812 1HB GLN 98 HB2 GLN 98 72.363 8.307 1.075 813 2HB GLN 98 HB1 GLN 98 70.770 8.361 1.832 814 1HG GLN 98 HG2 GLN 98 71.711 6.224 -0.105 815 2HG GLN 98 HG1 GLN 98 71.611 6.036 1.645 816 1HE2 GLN 98 HE21 GLN 98 69.959 5.139 -1.021 817 2HE2 GLN 98 HE22 GLN 98 68.365 5.196 -0.439 818 H VAL 99 HN VAL 99 72.771 10.318 -0.473 819 HA VAL 99 HA VAL 99 71.142 12.763 0.137 820 HB VAL 99 HB VAL 99 73.957 12.064 1.008 821 1HG1 VAL 99 HG11 VAL 99 73.461 14.433 2.195 822 2HG1 VAL 99 HG12 VAL 99 72.545 14.667 0.707 823 3HG1 VAL 99 HG13 VAL 99 74.270 14.309 0.633 824 1HG2 VAL 99 HG21 VAL 99 72.991 12.447 3.265 825 2HG2 VAL 99 HG22 VAL 99 72.161 11.143 2.413 826 3HG2 VAL 99 HG23 VAL 99 71.415 12.738 2.527 827 H MET 100 HN MET 100 71.236 14.281 -1.441 828 HA MET 100 HA MET 100 72.538 13.892 -3.913 829 1HB MET 100 HB2 MET 100 71.682 16.468 -2.572 830 2HB MET 100 HB1 MET 100 72.158 16.345 -4.263 831 1HG MET 100 HG2 MET 100 70.357 14.688 -4.645 832 2HG MET 100 HG1 MET 100 69.862 14.854 -2.963 833 1HE MET 100 HE1 MET 100 68.181 18.122 -2.586 834 2HE MET 100 HE2 MET 100 69.840 17.780 -2.115 835 3HE MET 100 HE3 MET 100 68.611 16.528 -1.961 Start of MODEL 15 1 1H MET 1 HT1 MET 1 71.109 -6.533 -1.425 2 2H MET 1 HT2 MET 1 72.075 -6.090 -0.099 3 3H MET 1 HT3 MET 1 70.396 -6.273 0.092 4 HA MET 1 HA MET 1 72.445 -8.224 0.291 5 1HB MET 1 HB2 MET 1 69.442 -8.234 0.719 6 2HB MET 1 HB1 MET 1 70.521 -9.540 1.211 7 1HG MET 1 HG2 MET 1 71.796 -7.929 2.610 8 2HG MET 1 HG1 MET 1 70.653 -6.663 2.162 9 1HE MET 1 HE1 MET 1 67.693 -8.240 2.267 10 2HE MET 1 HE2 MET 1 68.378 -6.627 2.449 11 3HE MET 1 HE3 MET 1 67.453 -7.337 3.769 12 H GLY 2 HN GLY 2 69.600 -9.790 -0.502 13 1HA GLY 2 HA2 GLY 2 68.848 -10.879 -2.476 14 2HA GLY 2 HA1 GLY 2 70.118 -10.054 -3.379 15 H GLN 3 HN GLN 3 71.604 -11.290 -0.714 16 HA GLN 3 HA GLN 3 72.138 -13.923 -2.025 17 1HB GLN 3 HB2 GLN 3 74.127 -11.917 -0.940 18 2HB GLN 3 HB1 GLN 3 74.542 -13.607 -1.233 19 1HG GLN 3 HG2 GLN 3 73.905 -13.377 -3.593 20 2HG GLN 3 HG1 GLN 3 73.434 -11.700 -3.316 21 1HE2 GLN 3 HE21 GLN 3 75.661 -12.847 -5.052 22 2HE2 GLN 3 HE22 GLN 3 77.067 -12.059 -4.521 23 H GLU 4 HN GLU 4 73.046 -15.535 -0.476 24 HA GLU 4 HA GLU 4 71.536 -15.638 1.947 25 1HB GLU 4 HB2 GLU 4 74.025 -17.168 1.129 26 2HB GLU 4 HB1 GLU 4 73.004 -17.576 2.509 27 1HG GLU 4 HG2 GLU 4 72.000 -17.389 -0.345 28 2HG GLU 4 HG1 GLU 4 72.464 -18.897 0.442 29 H LEU 5 HN LEU 5 72.031 -14.968 4.013 30 HA LEU 5 HA LEU 5 74.438 -13.286 4.327 31 1HB LEU 5 HB2 LEU 5 72.033 -13.795 6.097 32 2HB LEU 5 HB1 LEU 5 73.389 -12.772 6.575 33 HG LEU 5 HG LEU 5 71.764 -12.358 4.050 34 1HD1 LEU 5 HD11 LEU 5 70.731 -10.471 5.259 35 2HD1 LEU 5 HD12 LEU 5 71.621 -10.914 6.716 36 3HD1 LEU 5 HD13 LEU 5 70.387 -11.998 6.072 37 1HD2 LEU 5 HD21 LEU 5 74.122 -11.058 5.326 38 2HD2 LEU 5 HD22 LEU 5 72.921 -9.987 4.607 39 3HD2 LEU 5 HD23 LEU 5 73.713 -11.214 3.617 40 H SER 6 HN SER 6 76.198 -14.654 4.603 41 HA SER 6 HA SER 6 76.038 -16.999 6.343 42 1HB SER 6 HB2 SER 6 78.550 -17.045 5.930 43 2HB SER 6 HB1 SER 6 77.545 -17.156 4.488 44 HG SER 6 HG SER 6 79.344 -15.271 5.198 45 H GLN 7 HN GLN 7 77.679 -17.207 8.179 46 HA GLN 7 HA GLN 7 77.189 -15.340 10.211 47 1HB GLN 7 HB2 GLN 7 78.151 -17.580 10.623 48 2HB GLN 7 HB1 GLN 7 79.663 -17.065 9.875 49 1HG GLN 7 HG2 GLN 7 79.972 -15.353 11.590 50 2HG GLN 7 HG1 GLN 7 78.415 -15.761 12.311 51 1HE2 GLN 7 HE21 GLN 7 78.619 -17.119 14.089 52 2HE2 GLN 7 HE22 GLN 7 79.847 -18.270 14.306 53 H HIS 8 HN HIS 8 79.908 -15.441 7.913 54 HA HIS 8 HA HIS 8 81.303 -13.188 9.017 55 1HB HIS 8 HB2 HIS 8 82.347 -14.789 7.440 56 2HB HIS 8 HB1 HIS 8 81.282 -14.209 6.159 57 HD2 HIS 8 HD2 HIS 8 82.329 -12.053 4.777 58 HE1 HIS 8 HE1 HIS 8 85.216 -10.867 7.621 59 HE2 HIS 8 HE2 HIS 8 84.290 -10.416 5.303 60 H GLU 9 HN GLU 9 79.005 -13.442 6.285 61 HA GLU 9 HA GLU 9 78.983 -10.664 5.646 62 1HB GLU 9 HB2 GLU 9 76.861 -12.803 5.318 63 2HB GLU 9 HB1 GLU 9 76.719 -11.179 4.646 64 1HG GLU 9 HG2 GLU 9 78.825 -11.518 3.393 65 2HG GLU 9 HG1 GLU 9 78.939 -13.154 4.043 66 H ARG 10 HN ARG 10 77.079 -12.559 7.967 67 HA ARG 10 HA ARG 10 75.284 -10.465 8.727 68 1HB ARG 10 HB2 ARG 10 76.317 -12.887 10.224 69 2HB ARG 10 HB1 ARG 10 75.077 -11.813 10.870 70 1HG ARG 10 HG2 ARG 10 73.660 -12.252 8.901 71 2HG ARG 10 HG1 ARG 10 74.901 -13.318 8.242 72 1HD ARG 10 HD2 ARG 10 74.697 -14.781 10.223 73 2HD ARG 10 HD1 ARG 10 73.448 -13.719 10.874 74 HE ARG 10 HE ARG 10 72.774 -14.638 8.211 75 1HH1 ARG 10 HH21 ARG 10 72.901 -15.455 11.557 76 2HH1 ARG 10 HH22 ARG 10 71.616 -16.612 11.460 77 1HH2 ARG 10 HH11 ARG 10 71.093 -16.142 8.065 78 2HH2 ARG 10 HH12 ARG 10 70.592 -17.001 9.482 79 H TYR 11 HN TYR 11 78.532 -11.340 9.844 80 HA TYR 11 HA TYR 11 78.650 -9.614 12.102 81 1HB TYR 11 HB2 TYR 11 80.384 -11.281 11.691 82 2HB TYR 11 HB1 TYR 11 80.849 -10.471 10.196 83 HD1 TYR 11 HD1 TYR 11 80.506 -9.889 13.877 84 HD2 TYR 11 HD2 TYR 11 82.467 -8.765 10.225 85 HE1 TYR 11 HE1 TYR 11 82.029 -8.406 15.151 86 HE2 TYR 11 HE2 TYR 11 83.990 -7.281 11.500 87 HH TYR 11 HH TYR 11 83.804 -7.073 15.053 88 H VAL 12 HN VAL 12 79.367 -9.005 8.666 89 HA VAL 12 HA VAL 12 80.314 -6.332 8.992 90 HB VAL 12 HB VAL 12 78.731 -7.289 6.603 91 1HG1 VAL 12 HG11 VAL 12 81.189 -5.530 6.822 92 2HG1 VAL 12 HG12 VAL 12 79.539 -4.906 6.768 93 3HG1 VAL 12 HG13 VAL 12 80.192 -5.791 5.389 94 1HG2 VAL 12 HG21 VAL 12 81.515 -8.035 7.508 95 2HG2 VAL 12 HG22 VAL 12 81.066 -8.063 5.803 96 3HG2 VAL 12 HG23 VAL 12 80.224 -9.100 6.954 97 H GLU 13 HN GLU 13 77.040 -7.620 8.432 98 HA GLU 13 HA GLU 13 75.679 -5.154 8.178 99 1HB GLU 13 HB2 GLU 13 74.607 -7.350 7.788 100 2HB GLU 13 HB1 GLU 13 74.693 -7.694 9.516 101 1HG GLU 13 HG2 GLU 13 73.238 -5.812 10.016 102 2HG GLU 13 HG1 GLU 13 73.244 -5.313 8.324 103 H GLN 14 HN GLN 14 76.536 -6.991 11.116 104 HA GLN 14 HA GLN 14 75.261 -5.199 12.955 105 1HB GLN 14 HB2 GLN 14 76.070 -7.494 13.545 106 2HB GLN 14 HB1 GLN 14 77.728 -6.904 13.423 107 1HG GLN 14 HG2 GLN 14 77.268 -5.237 15.185 108 2HG GLN 14 HG1 GLN 14 75.611 -5.831 15.312 109 1HE2 GLN 14 HE21 GLN 14 75.355 -7.281 17.009 110 2HE2 GLN 14 HE22 GLN 14 76.551 -8.340 17.581 111 H LEU 15 HN LEU 15 78.449 -5.226 11.426 112 HA LEU 15 HA LEU 15 79.632 -3.163 13.009 113 1HB LEU 15 HB2 LEU 15 80.945 -4.578 11.471 114 2HB LEU 15 HB1 LEU 15 80.115 -3.856 10.093 115 HG LEU 15 HG LEU 15 80.998 -1.643 10.700 116 1HD1 LEU 15 HD11 LEU 15 82.948 -1.861 12.500 117 2HD1 LEU 15 HD12 LEU 15 81.940 -3.184 13.084 118 3HD1 LEU 15 HD13 LEU 15 81.283 -1.550 12.995 119 1HD2 LEU 15 HD21 LEU 15 83.524 -3.107 10.850 120 2HD2 LEU 15 HD22 LEU 15 82.900 -2.086 9.555 121 3HD2 LEU 15 HD23 LEU 15 82.433 -3.785 9.642 122 H LYS 16 HN LYS 16 77.695 -3.062 10.030 123 HA LYS 16 HA LYS 16 77.858 -0.247 9.598 124 1HB LYS 16 HB2 LYS 16 76.974 -1.875 7.930 125 2HB LYS 16 HB1 LYS 16 75.546 -2.099 8.942 126 1HG LYS 16 HG2 LYS 16 74.974 0.267 8.719 127 2HG LYS 16 HG1 LYS 16 76.442 0.557 7.785 128 1HD LYS 16 HD2 LYS 16 75.648 -0.994 6.041 129 2HD LYS 16 HD1 LYS 16 74.182 -1.295 6.974 130 1HE LYS 16 HE2 LYS 16 73.558 1.071 6.801 131 2HE LYS 16 HE1 LYS 16 75.046 1.413 5.920 132 1HZ LYS 16 HZ1 LYS 16 73.352 -0.716 4.877 133 2HZ LYS 16 HZ2 LYS 16 74.278 0.442 4.048 134 3HZ LYS 16 HZ3 LYS 16 72.771 0.868 4.708 135 H GLN 17 HN GLN 17 75.560 -2.209 11.488 136 HA GLN 17 HA GLN 17 73.771 -0.141 12.212 137 1HB GLN 17 HB2 GLN 17 74.693 -2.549 13.811 138 2HB GLN 17 HB1 GLN 17 73.320 -1.532 14.251 139 1HG GLN 17 HG2 GLN 17 72.194 -2.074 12.155 140 2HG GLN 17 HG1 GLN 17 73.592 -3.003 11.614 141 1HE2 GLN 17 HE21 GLN 17 71.366 -4.512 11.649 142 2HE2 GLN 17 HE22 GLN 17 71.284 -5.514 13.016 143 H ALA 18 HN ALA 18 76.776 -1.205 13.820 144 HA ALA 18 HA ALA 18 76.670 0.724 15.935 145 1HB ALA 18 HB1 ALA 18 78.233 -0.926 16.380 146 2HB ALA 18 HB2 ALA 18 79.298 0.335 15.759 147 3HB ALA 18 HB3 ALA 18 78.795 -0.990 14.709 148 H LEU 19 HN LEU 19 78.163 0.805 12.703 149 HA LEU 19 HA LEU 19 79.403 3.369 13.011 150 1HB LEU 19 HB2 LEU 19 78.442 1.860 10.568 151 2HB LEU 19 HB1 LEU 19 79.305 3.394 10.470 152 HG LEU 19 HG LEU 19 80.364 0.944 11.905 153 1HD1 LEU 19 HD11 LEU 19 80.888 2.023 9.123 154 2HD1 LEU 19 HD12 LEU 19 80.292 0.420 9.557 155 3HD1 LEU 19 HD13 LEU 19 81.955 0.874 9.930 156 1HD2 LEU 19 HD21 LEU 19 82.492 2.532 11.286 157 2HD2 LEU 19 HD22 LEU 19 81.635 2.605 12.826 158 3HD2 LEU 19 HD23 LEU 19 81.244 3.751 11.543 159 H LYS 20 HN LYS 20 76.174 2.379 11.924 160 HA LYS 20 HA LYS 20 75.284 4.936 11.031 161 1HB LYS 20 HB2 LYS 20 74.065 2.791 10.637 162 2HB LYS 20 HB1 LYS 20 73.633 2.756 12.347 163 1HG LYS 20 HG2 LYS 20 72.476 4.924 12.101 164 2HG LYS 20 HG1 LYS 20 72.901 4.955 10.390 165 1HD LYS 20 HD2 LYS 20 71.657 2.824 10.068 166 2HD LYS 20 HD1 LYS 20 71.174 2.876 11.764 167 1HE LYS 20 HE2 LYS 20 70.025 5.009 11.399 168 2HE LYS 20 HE1 LYS 20 70.549 5.023 9.716 169 1HZ LYS 20 HZ1 LYS 20 69.004 2.763 10.823 170 2HZ LYS 20 HZ2 LYS 20 69.203 3.219 9.199 171 3HZ LYS 20 HZ3 LYS 20 68.227 4.150 10.231 172 H THR 21 HN THR 21 75.287 3.430 14.246 173 HA THR 21 HA THR 21 73.827 5.519 15.566 174 HB THR 21 HB THR 21 74.668 4.546 17.630 175 HG1 THR 21 HG1 THR 21 76.821 4.310 17.082 176 1HG2 THR 21 HG21 THR 21 74.556 1.999 16.262 177 2HG2 THR 21 HG22 THR 21 73.357 3.108 15.598 178 3HG2 THR 21 HG23 THR 21 73.360 2.742 17.324 179 H ARG 22 HN ARG 22 77.198 5.142 14.652 180 HA ARG 22 HA ARG 22 78.144 7.355 16.291 181 1HB ARG 22 HB2 ARG 22 79.350 5.890 13.927 182 2HB ARG 22 HB1 ARG 22 80.189 7.163 14.815 183 1HG ARG 22 HG2 ARG 22 79.991 5.872 16.895 184 2HG ARG 22 HG1 ARG 22 79.110 4.606 16.038 185 1HD ARG 22 HD2 ARG 22 81.073 4.233 14.580 186 2HD ARG 22 HD1 ARG 22 81.955 5.483 15.457 187 HE ARG 22 HE ARG 22 81.402 2.768 16.418 188 1HH1 ARG 22 HH21 ARG 22 82.200 6.044 17.151 189 2HH1 ARG 22 HH22 ARG 22 82.933 5.663 18.674 190 1HH2 ARG 22 HH11 ARG 22 82.355 2.255 18.401 191 2HH2 ARG 22 HH12 ARG 22 83.020 3.518 19.380 192 H GLY 23 HN GLY 23 76.517 7.061 13.270 193 1HA GLY 23 HA2 GLY 23 75.516 9.166 12.384 194 2HA GLY 23 HA1 GLY 23 77.052 9.957 12.744 195 H VAL 24 HN VAL 24 76.315 6.859 11.125 196 HA VAL 24 HA VAL 24 77.809 7.897 8.748 197 HB VAL 24 HB VAL 24 77.858 5.157 10.032 198 1HG1 VAL 24 HG11 VAL 24 79.471 4.762 7.984 199 2HG1 VAL 24 HG12 VAL 24 78.506 6.032 7.232 200 3HG1 VAL 24 HG13 VAL 24 77.733 4.546 7.784 201 1HG2 VAL 24 HG21 VAL 24 80.314 6.534 9.119 202 2HG2 VAL 24 HG22 VAL 24 79.999 5.678 10.629 203 3HG2 VAL 24 HG23 VAL 24 79.452 7.343 10.428 204 H LYS 25 HN LYS 25 76.765 7.654 6.798 205 HA LYS 25 HA LYS 25 74.340 5.907 6.750 206 1HB LYS 25 HB2 LYS 25 74.593 8.721 5.637 207 2HB LYS 25 HB1 LYS 25 73.211 7.656 5.376 208 1HG LYS 25 HG2 LYS 25 72.856 7.538 7.828 209 2HG LYS 25 HG1 LYS 25 74.206 8.648 8.063 210 1HD LYS 25 HD2 LYS 25 73.027 10.353 6.704 211 2HD LYS 25 HD1 LYS 25 71.664 9.247 6.522 212 1HE LYS 25 HE2 LYS 25 72.721 10.351 9.142 213 2HE LYS 25 HE1 LYS 25 71.222 10.828 8.345 214 1HZ LYS 25 HZ1 LYS 25 70.786 8.264 8.448 215 2HZ LYS 25 HZ2 LYS 25 70.446 9.261 9.781 216 3HZ LYS 25 HZ3 LYS 25 71.874 8.341 9.748 217 H VAL 26 HN VAL 26 75.178 4.302 5.437 218 HA VAL 26 HA VAL 26 76.020 5.161 2.707 219 HB VAL 26 HB VAL 26 77.732 3.342 2.730 220 1HG1 VAL 26 HG11 VAL 26 79.280 4.827 3.477 221 2HG1 VAL 26 HG12 VAL 26 78.551 4.911 5.081 222 3HG1 VAL 26 HG13 VAL 26 77.903 5.890 3.766 223 1HG2 VAL 26 HG21 VAL 26 78.381 2.460 4.995 224 2HG2 VAL 26 HG22 VAL 26 76.793 1.915 4.457 225 3HG2 VAL 26 HG23 VAL 26 76.924 3.206 5.652 226 H LYS 27 HN LYS 27 75.754 3.384 1.103 227 HA LYS 27 HA LYS 27 73.233 2.006 1.516 228 1HB LYS 27 HB2 LYS 27 75.271 1.759 -0.719 229 2HB LYS 27 HB1 LYS 27 73.635 1.101 -0.755 230 1HG LYS 27 HG2 LYS 27 72.703 3.367 -0.515 231 2HG LYS 27 HG1 LYS 27 74.334 4.036 -0.446 232 1HD LYS 27 HD2 LYS 27 74.778 3.101 -2.714 233 2HD LYS 27 HD1 LYS 27 73.104 2.549 -2.784 234 1HE LYS 27 HE2 LYS 27 72.322 4.875 -2.517 235 2HE LYS 27 HE1 LYS 27 73.995 5.430 -2.450 236 1HZ LYS 27 HZ1 LYS 27 73.065 5.668 -4.668 237 2HZ LYS 27 HZ2 LYS 27 72.741 4.002 -4.733 238 3HZ LYS 27 HZ3 LYS 27 74.345 4.558 -4.668 239 H TYR 28 HN TYR 28 72.904 -0.238 1.765 240 HA TYR 28 HA TYR 28 74.880 -1.671 3.255 241 1HB TYR 28 HB2 TYR 28 72.436 -2.138 3.375 242 2HB TYR 28 HB1 TYR 28 72.502 -2.788 1.737 243 HD1 TYR 28 HD1 TYR 28 73.265 -5.000 1.317 244 HD2 TYR 28 HD2 TYR 28 73.823 -3.233 5.193 245 HE1 TYR 28 HE1 TYR 28 73.983 -7.198 2.216 246 HE2 TYR 28 HE2 TYR 28 74.540 -5.431 6.091 247 HH TYR 28 HH TYR 28 75.655 -7.758 4.580 248 H ALA 29 HN ALA 29 73.922 -1.798 -0.166 249 HA ALA 29 HA ALA 29 75.487 -4.004 -0.975 250 1HB ALA 29 HB1 ALA 29 74.051 -1.883 -2.249 251 2HB ALA 29 HB2 ALA 29 74.584 -3.411 -2.949 252 3HB ALA 29 HB3 ALA 29 75.640 -2.000 -3.006 253 H ASP 30 HN ASP 30 76.417 -0.647 -0.377 254 HA ASP 30 HA ASP 30 79.017 -0.724 -1.522 255 1HB ASP 30 HB2 ASP 30 77.986 1.365 -0.737 256 2HB ASP 30 HB1 ASP 30 78.055 0.786 0.928 257 H LEU 31 HN LEU 31 77.857 -1.721 1.684 258 HA LEU 31 HA LEU 31 80.417 -2.301 2.811 259 1HB LEU 31 HB2 LEU 31 77.608 -3.210 3.358 260 2HB LEU 31 HB1 LEU 31 78.949 -4.033 4.156 261 HG LEU 31 HG LEU 31 78.000 -2.101 5.471 262 1HD1 LEU 31 HD11 LEU 31 80.720 -1.161 4.897 263 2HD1 LEU 31 HD12 LEU 31 80.624 -2.909 5.115 264 3HD1 LEU 31 HD13 LEU 31 80.054 -1.829 6.388 265 1HD2 LEU 31 HD21 LEU 31 77.708 -0.754 3.258 266 2HD2 LEU 31 HD22 LEU 31 79.406 -0.333 3.474 267 3HD2 LEU 31 HD23 LEU 31 78.223 0.115 4.702 268 H LEU 32 HN LEU 32 78.143 -4.320 0.953 269 HA LEU 32 HA LEU 32 79.738 -6.710 1.088 270 1HB LEU 32 HB2 LEU 32 77.629 -5.793 -0.887 271 2HB LEU 32 HB1 LEU 32 78.360 -7.399 -0.917 272 HG LEU 32 HG LEU 32 76.937 -6.219 1.486 273 1HD1 LEU 32 HD11 LEU 32 75.398 -8.303 0.678 274 2HD1 LEU 32 HD12 LEU 32 75.980 -7.727 -0.883 275 3HD1 LEU 32 HD13 LEU 32 75.101 -6.636 0.187 276 1HD2 LEU 32 HD21 LEU 32 78.199 -7.867 2.453 277 2HD2 LEU 32 HD22 LEU 32 78.462 -8.700 0.922 278 3HD2 LEU 32 HD23 LEU 32 76.947 -8.921 1.795 279 H LYS 33 HN LYS 33 79.543 -4.054 -1.277 280 HA LYS 33 HA LYS 33 81.381 -5.206 -3.156 281 1HB LYS 33 HB2 LYS 33 80.627 -2.325 -2.591 282 2HB LYS 33 HB1 LYS 33 81.643 -2.822 -3.944 283 1HG LYS 33 HG2 LYS 33 79.826 -4.280 -4.770 284 2HG LYS 33 HG1 LYS 33 78.805 -3.762 -3.428 285 1HD LYS 33 HD2 LYS 33 78.908 -1.441 -4.217 286 2HD LYS 33 HD1 LYS 33 79.976 -1.923 -5.535 287 1HE LYS 33 HE2 LYS 33 78.211 -3.395 -6.433 288 2HE LYS 33 HE1 LYS 33 77.141 -2.915 -5.116 289 1HZ LYS 33 HZ1 LYS 33 76.710 -0.954 -6.070 290 2HZ LYS 33 HZ2 LYS 33 77.262 -1.689 -7.498 291 3HZ LYS 33 HZ3 LYS 33 78.310 -0.717 -6.579 292 H PHE 34 HN PHE 34 81.824 -3.116 -0.321 293 HA PHE 34 HA PHE 34 84.570 -2.505 -0.685 294 1HB PHE 34 HB2 PHE 34 83.293 -1.395 1.050 295 2HB PHE 34 HB1 PHE 34 82.973 -2.930 1.857 296 HD1 PHE 34 HD1 PHE 34 85.938 -1.026 0.545 297 HD2 PHE 34 HD2 PHE 34 84.289 -3.419 3.708 298 HE1 PHE 34 HE1 PHE 34 88.053 -0.800 1.821 299 HE2 PHE 34 HE2 PHE 34 86.404 -3.192 4.984 300 HZ PHE 34 HZ PHE 34 88.286 -1.882 4.040 301 H PHE 35 HN PHE 35 83.067 -5.247 1.054 302 HA PHE 35 HA PHE 35 85.518 -6.502 1.803 303 1HB PHE 35 HB2 PHE 35 82.687 -7.443 1.446 304 2HB PHE 35 HB1 PHE 35 83.967 -8.629 1.706 305 HD1 PHE 35 HD1 PHE 35 84.339 -9.254 3.914 306 HD2 PHE 35 HD2 PHE 35 82.977 -5.269 3.069 307 HE1 PHE 35 HE1 PHE 35 84.316 -8.747 6.342 308 HE2 PHE 35 HE2 PHE 35 82.953 -4.762 5.497 309 HZ PHE 35 HZ PHE 35 83.622 -6.501 7.133 310 H ASP 36 HN ASP 36 83.465 -6.882 -1.086 311 HA ASP 36 HA ASP 36 85.056 -8.959 -2.276 312 1HB ASP 36 HB2 ASP 36 83.009 -7.006 -3.288 313 2HB ASP 36 HB1 ASP 36 83.954 -7.944 -4.445 314 H PHE 37 HN PHE 37 85.224 -5.433 -2.340 315 HA PHE 37 HA PHE 37 87.117 -5.189 -4.470 316 1HB PHE 37 HB2 PHE 37 85.810 -3.290 -3.484 317 2HB PHE 37 HB1 PHE 37 86.828 -3.387 -2.047 318 HD1 PHE 37 HD1 PHE 37 88.889 -2.257 -1.972 319 HD2 PHE 37 HD2 PHE 37 87.006 -2.988 -5.763 320 HE1 PHE 37 HE1 PHE 37 90.610 -0.869 -3.094 321 HE2 PHE 37 HE2 PHE 37 88.727 -1.598 -6.885 322 HZ PHE 37 HZ PHE 37 90.529 -0.539 -5.551 323 H VAL 38 HN VAL 38 87.566 -5.449 -0.937 324 HA VAL 38 HA VAL 38 90.409 -5.251 -0.957 325 HB VAL 38 HB VAL 38 88.567 -6.737 0.940 326 1HG1 VAL 38 HG11 VAL 38 90.712 -7.661 1.319 327 2HG1 VAL 38 HG12 VAL 38 90.594 -6.358 2.503 328 3HG1 VAL 38 HG13 VAL 38 91.520 -6.122 1.021 329 1HG2 VAL 38 HG21 VAL 38 89.901 -4.282 1.828 330 2HG2 VAL 38 HG22 VAL 38 88.200 -4.733 1.936 331 3HG2 VAL 38 HG23 VAL 38 88.830 -4.016 0.454 332 H LYS 39 HN LYS 39 88.325 -8.167 -0.960 333 HA LYS 39 HA LYS 39 90.515 -10.009 -1.229 334 1HB LYS 39 HB2 LYS 39 87.580 -10.271 -1.948 335 2HB LYS 39 HB1 LYS 39 88.727 -11.612 -1.973 336 1HG LYS 39 HG2 LYS 39 89.196 -11.283 0.413 337 2HG LYS 39 HG1 LYS 39 88.092 -9.907 0.453 338 1HD LYS 39 HD2 LYS 39 86.234 -11.407 -0.235 339 2HD LYS 39 HD1 LYS 39 87.345 -12.776 -0.186 340 1HE LYS 39 HE2 LYS 39 86.626 -10.986 2.155 341 2HE LYS 39 HE1 LYS 39 86.077 -12.644 1.913 342 1HZ LYS 39 HZ1 LYS 39 87.873 -13.042 3.210 343 2HZ LYS 39 HZ2 LYS 39 88.704 -11.648 2.706 344 3HZ LYS 39 HZ3 LYS 39 88.667 -13.025 1.711 345 H ASP 40 HN ASP 40 88.650 -8.127 -3.525 346 HA ASP 40 HA ASP 40 89.605 -9.596 -5.858 347 1HB ASP 40 HB2 ASP 40 88.148 -6.971 -5.492 348 2HB ASP 40 HB1 ASP 40 88.649 -7.559 -7.079 349 H THR 41 HN THR 41 90.881 -7.138 -3.824 350 HA THR 41 HA THR 41 92.289 -5.496 -5.627 351 HB THR 41 HB THR 41 93.522 -6.383 -3.024 352 HG1 THR 41 HG1 THR 41 91.356 -6.049 -2.569 353 1HG2 THR 41 HG21 THR 41 93.235 -3.550 -3.902 354 2HG2 THR 41 HG22 THR 41 94.352 -4.566 -4.814 355 3HG2 THR 41 HG23 THR 41 94.579 -4.343 -3.079 356 H CYS 42 HN CYS 42 93.646 -8.323 -3.883 357 HA CYS 42 HA CYS 42 95.704 -8.490 -6.044 358 1HB CYS 42 HB2 CYS 42 97.153 -8.552 -4.317 359 2HB CYS 42 HB1 CYS 42 95.835 -8.667 -3.151 360 HG CYS 42 HG CYS 42 95.853 -11.346 -3.979 361 HA PRO 43 HA PRO 43 94.311 -13.069 -4.850 362 1HB PRO 43 HB2 PRO 43 91.505 -12.373 -4.111 363 2HB PRO 43 HB1 PRO 43 92.586 -13.594 -3.412 364 1HG PRO 43 HG2 PRO 43 92.072 -11.337 -2.125 365 2HG PRO 43 HG1 PRO 43 93.687 -12.061 -2.095 366 1HD PRO 43 HD2 PRO 43 92.779 -9.649 -3.611 367 2HD PRO 43 HD1 PRO 43 94.355 -10.030 -2.883 368 H TRP 44 HN TRP 44 91.920 -10.756 -6.134 369 HA TRP 44 HA TRP 44 91.855 -12.307 -8.656 370 1HB TRP 44 HB2 TRP 44 89.366 -11.618 -7.060 371 2HB TRP 44 HB1 TRP 44 89.374 -12.295 -8.690 372 HD1 TRP 44 HD1 TRP 44 91.124 -14.632 -8.761 373 HE1 TRP 44 HE1 TRP 44 90.942 -16.655 -7.174 374 HE3 TRP 44 HE3 TRP 44 88.565 -12.491 -4.896 375 HZ2 TRP 44 HZ2 TRP 44 89.854 -17.282 -4.601 376 HZ3 TRP 44 HZ3 TRP 44 87.970 -13.822 -2.892 377 HH2 TRP 44 HH2 TRP 44 88.610 -16.212 -2.740 378 H PHE 45 HN PHE 45 89.484 -10.762 -9.533 379 HA PHE 45 HA PHE 45 89.748 -7.977 -9.246 380 1HB PHE 45 HB2 PHE 45 91.907 -9.154 -10.765 381 2HB PHE 45 HB1 PHE 45 90.963 -8.074 -11.791 382 HD1 PHE 45 HD1 PHE 45 90.110 -5.885 -10.295 383 HD2 PHE 45 HD2 PHE 45 93.741 -8.122 -9.777 384 HE1 PHE 45 HE1 PHE 45 91.163 -3.923 -9.200 385 HE2 PHE 45 HE2 PHE 45 94.792 -6.161 -8.682 386 HZ PHE 45 HZ PHE 45 93.504 -4.062 -8.394 387 HA PRO 46 HA PRO 46 86.470 -9.646 -12.119 388 1HB PRO 46 HB2 PRO 46 84.511 -8.737 -10.173 389 2HB PRO 46 HB1 PRO 46 84.813 -10.382 -10.760 390 1HG PRO 46 HG2 PRO 46 85.362 -9.558 -8.232 391 2HG PRO 46 HG1 PRO 46 86.223 -10.871 -9.053 392 1HD PRO 46 HD2 PRO 46 87.108 -8.024 -8.607 393 2HD PRO 46 HD1 PRO 46 88.076 -9.512 -8.527 394 H GLN 47 HN GLN 47 84.833 -8.382 -13.288 395 HA GLN 47 HA GLN 47 85.558 -5.692 -13.797 396 1HB GLN 47 HB2 GLN 47 82.914 -7.102 -14.265 397 2HB GLN 47 HB1 GLN 47 83.346 -5.536 -14.953 398 1HG GLN 47 HG2 GLN 47 85.302 -6.567 -16.062 399 2HG GLN 47 HG1 GLN 47 84.843 -8.135 -15.397 400 1HE2 GLN 47 HE21 GLN 47 84.815 -8.480 -17.956 401 2HE2 GLN 47 HE22 GLN 47 83.305 -8.248 -18.697 402 H GLU 48 HN GLU 48 85.089 -3.810 -12.747 403 HA GLU 48 HA GLU 48 83.524 -3.945 -10.268 404 1HB GLU 48 HB2 GLU 48 84.978 -1.657 -11.630 405 2HB GLU 48 HB1 GLU 48 84.184 -1.537 -10.058 406 1HG GLU 48 HG2 GLU 48 85.648 -3.239 -9.129 407 2HG GLU 48 HG1 GLU 48 86.369 -3.535 -10.712 408 H GLY 49 HN GLY 49 82.066 -1.807 -9.962 409 1HA GLY 49 HA2 GLY 49 80.462 -1.316 -12.413 410 2HA GLY 49 HA1 GLY 49 79.635 -1.992 -11.009 411 H THR 50 HN THR 50 79.268 -0.650 -9.191 412 HA THR 50 HA THR 50 80.020 2.221 -9.573 413 HB THR 50 HB THR 50 77.389 1.067 -8.604 414 HG1 THR 50 HG1 THR 50 78.193 1.628 -10.959 415 1HG2 THR 50 HG21 THR 50 76.865 3.650 -8.599 416 2HG2 THR 50 HG22 THR 50 78.605 3.796 -8.354 417 3HG2 THR 50 HG23 THR 50 77.624 2.901 -7.195 418 H ILE 51 HN ILE 51 80.622 3.325 -7.676 419 HA ILE 51 HA ILE 51 80.633 1.714 -5.161 420 HB ILE 51 HB ILE 51 82.891 2.021 -6.570 421 1HG1 ILE 51 HG12 ILE 51 82.752 0.785 -4.480 422 2HG1 ILE 51 HG11 ILE 51 84.110 1.907 -4.374 423 1HG2 ILE 51 HG21 ILE 51 82.878 4.446 -4.754 424 2HG2 ILE 51 HG22 ILE 51 82.591 4.537 -6.492 425 3HG2 ILE 51 HG23 ILE 51 84.143 3.960 -5.883 426 1HD1 ILE 51 HD11 ILE 51 83.005 2.242 -2.329 427 2HD1 ILE 51 HD12 ILE 51 81.407 2.091 -3.061 428 3HD1 ILE 51 HD13 ILE 51 82.367 3.545 -3.333 429 H ASP 52 HN ASP 52 79.921 2.856 -3.406 430 HA ASP 52 HA ASP 52 78.780 5.469 -3.758 431 1HB ASP 52 HB2 ASP 52 79.281 3.678 -1.395 432 2HB ASP 52 HB1 ASP 52 78.736 5.337 -1.141 433 H ILE 53 HN ILE 53 79.668 7.477 -3.409 434 HA ILE 53 HA ILE 53 82.531 7.714 -3.084 435 HB ILE 53 HB ILE 53 80.417 9.875 -2.829 436 1HG1 ILE 53 HG12 ILE 53 81.958 8.934 -5.271 437 2HG1 ILE 53 HG11 ILE 53 80.253 8.602 -4.964 438 1HG2 ILE 53 HG21 ILE 53 82.127 11.355 -2.723 439 2HG2 ILE 53 HG22 ILE 53 83.028 10.525 -3.993 440 3HG2 ILE 53 HG23 ILE 53 83.143 9.971 -2.323 441 1HD1 ILE 53 HD11 ILE 53 79.897 11.107 -4.812 442 2HD1 ILE 53 HD12 ILE 53 80.341 10.520 -6.415 443 3HD1 ILE 53 HD13 ILE 53 81.549 11.304 -5.398 444 H LYS 54 HN LYS 54 79.792 7.845 -0.896 445 HA LYS 54 HA LYS 54 81.022 9.189 1.290 446 1HB LYS 54 HB2 LYS 54 78.947 6.975 1.298 447 2HB LYS 54 HB1 LYS 54 79.357 7.970 2.694 448 1HG LYS 54 HG2 LYS 54 78.678 9.992 1.482 449 2HG LYS 54 HG1 LYS 54 78.315 9.027 0.051 450 1HD LYS 54 HD2 LYS 54 76.605 7.780 1.321 451 2HD LYS 54 HD1 LYS 54 76.962 8.749 2.750 452 1HE LYS 54 HE2 LYS 54 76.327 10.797 1.506 453 2HE LYS 54 HE1 LYS 54 75.928 9.807 0.103 454 1HZ LYS 54 HZ1 LYS 54 74.294 8.633 1.461 455 2HZ LYS 54 HZ2 LYS 54 73.957 10.295 1.383 456 3HZ LYS 54 HZ3 LYS 54 74.658 9.633 2.782 457 H PHE 55 HN PHE 55 80.975 5.728 0.424 458 HA PHE 55 HA PHE 55 82.608 4.996 2.730 459 1HB PHE 55 HB2 PHE 55 80.909 3.560 1.251 460 2HB PHE 55 HB1 PHE 55 82.381 3.209 0.345 461 HD1 PHE 55 HD1 PHE 55 84.242 1.995 1.372 462 HD2 PHE 55 HD2 PHE 55 80.648 2.837 3.570 463 HE1 PHE 55 HE1 PHE 55 84.919 0.358 3.107 464 HE2 PHE 55 HE2 PHE 55 81.326 1.201 5.305 465 HZ PHE 55 HZ PHE 55 83.460 -0.040 5.074 466 H TRP 56 HN TRP 56 83.191 6.063 -0.528 467 HA TRP 56 HA TRP 56 85.730 4.932 -1.033 468 1HB TRP 56 HB2 TRP 56 84.644 6.181 -2.774 469 2HB TRP 56 HB1 TRP 56 84.585 7.635 -1.776 470 HD1 TRP 56 HD1 TRP 56 87.709 5.459 -1.918 471 HE1 TRP 56 HE1 TRP 56 89.608 6.798 -3.036 472 HE3 TRP 56 HE3 TRP 56 85.102 9.572 -3.458 473 HZ2 TRP 56 HZ2 TRP 56 89.973 9.286 -4.403 474 HZ3 TRP 56 HZ3 TRP 56 86.248 11.409 -4.664 475 HH2 TRP 56 HH2 TRP 56 88.678 11.271 -5.137 476 H ARG 57 HN ARG 57 84.850 7.766 0.915 477 HA ARG 57 HA ARG 57 87.497 8.714 1.390 478 1HB ARG 57 HB2 ARG 57 85.147 8.838 3.303 479 2HB ARG 57 HB1 ARG 57 86.550 9.906 3.284 480 1HG ARG 57 HG2 ARG 57 84.610 9.618 0.973 481 2HG ARG 57 HG1 ARG 57 84.524 10.900 2.182 482 1HD ARG 57 HD2 ARG 57 87.006 11.353 1.562 483 2HD ARG 57 HD1 ARG 57 86.660 10.408 0.114 484 HE ARG 57 HE ARG 57 84.632 12.397 0.428 485 1HH1 ARG 57 HH21 ARG 57 87.976 11.975 -0.301 486 2HH1 ARG 57 HH22 ARG 57 88.073 13.389 -1.297 487 1HH2 ARG 57 HH11 ARG 57 84.741 14.245 -0.868 488 2HH2 ARG 57 HH12 ARG 57 86.243 14.674 -1.618 489 H ARG 58 HN ARG 58 85.515 6.322 3.134 490 HA ARG 58 HA ARG 58 87.448 5.843 5.212 491 1HB ARG 58 HB2 ARG 58 85.209 4.124 4.107 492 2HB ARG 58 HB1 ARG 58 86.158 3.700 5.532 493 1HG ARG 58 HG2 ARG 58 85.439 5.731 6.670 494 2HG ARG 58 HG1 ARG 58 84.584 6.274 5.226 495 1HD ARG 58 HD2 ARG 58 82.995 5.272 6.798 496 2HD ARG 58 HD1 ARG 58 83.130 4.261 5.359 497 HE ARG 58 HE ARG 58 84.150 2.581 6.686 498 1HH1 ARG 58 HH21 ARG 58 83.919 5.615 8.306 499 2HH1 ARG 58 HH22 ARG 58 84.387 4.979 9.847 500 1HH2 ARG 58 HH11 ARG 58 84.763 1.731 8.689 501 2HH2 ARG 58 HH12 ARG 58 84.865 2.780 10.065 502 H VAL 59 HN VAL 59 86.904 4.414 2.016 503 HA VAL 59 HA VAL 59 88.753 2.244 2.303 504 HB VAL 59 HB VAL 59 87.760 3.748 -0.132 505 1HG1 VAL 59 HG11 VAL 59 89.759 2.847 -0.941 506 2HG1 VAL 59 HG12 VAL 59 88.624 1.533 -1.251 507 3HG1 VAL 59 HG13 VAL 59 89.693 1.463 0.150 508 1HG2 VAL 59 HG21 VAL 59 86.555 1.873 1.566 509 2HG2 VAL 59 HG22 VAL 59 87.068 0.933 0.165 510 3HG2 VAL 59 HG23 VAL 59 86.006 2.324 -0.049 511 H GLY 60 HN GLY 60 89.142 5.574 1.103 512 1HA GLY 60 HA2 GLY 60 91.882 5.295 0.316 513 2HA GLY 60 HA1 GLY 60 91.087 6.823 0.695 514 H ASP 61 HN ASP 61 90.399 6.452 3.356 515 HA ASP 61 HA ASP 61 92.904 6.949 4.680 516 1HB ASP 61 HB2 ASP 61 90.059 6.592 5.566 517 2HB ASP 61 HB1 ASP 61 91.342 6.581 6.777 518 H CYS 62 HN CYS 62 90.813 4.101 4.429 519 HA CYS 62 HA CYS 62 92.280 2.550 6.387 520 1HB CYS 62 HB2 CYS 62 90.412 1.714 4.148 521 2HB CYS 62 HB1 CYS 62 91.044 0.617 5.375 522 HG CYS 62 HG CYS 62 89.047 2.946 5.943 523 H PHE 63 HN PHE 63 92.329 2.718 2.822 524 HA PHE 63 HA PHE 63 94.286 0.660 2.461 525 1HB PHE 63 HB2 PHE 63 93.212 2.907 0.808 526 2HB PHE 63 HB1 PHE 63 94.724 2.159 0.292 527 HD1 PHE 63 HD1 PHE 63 94.141 0.827 -1.564 528 HD2 PHE 63 HD2 PHE 63 91.791 0.621 2.025 529 HE1 PHE 63 HE1 PHE 63 92.876 -1.089 -2.502 530 HE2 PHE 63 HE2 PHE 63 90.527 -1.296 1.088 531 HZ PHE 63 HZ PHE 63 91.069 -2.151 -1.176 532 H GLN 64 HN GLN 64 94.605 4.205 2.752 533 HA GLN 64 HA GLN 64 97.426 4.323 2.398 534 1HB GLN 64 HB2 GLN 64 96.015 6.335 2.393 535 2HB GLN 64 HB1 GLN 64 95.633 6.086 4.097 536 1HG GLN 64 HG2 GLN 64 97.955 6.404 4.723 537 2HG GLN 64 HG1 GLN 64 98.442 6.478 3.029 538 1HE2 GLN 64 HE21 GLN 64 98.959 8.653 4.835 539 2HE2 GLN 64 HE22 GLN 64 98.020 9.981 4.348 540 H ASP 65 HN ASP 65 95.454 3.694 5.279 541 HA ASP 65 HA ASP 65 97.588 3.776 7.181 542 1HB ASP 65 HB2 ASP 65 94.966 2.258 7.153 543 2HB ASP 65 HB1 ASP 65 96.059 2.271 8.538 544 H TYR 66 HN TYR 66 96.205 1.070 5.307 545 HA TYR 66 HA TYR 66 97.966 -0.926 6.383 546 1HB TYR 66 HB2 TYR 66 96.380 -0.759 3.811 547 2HB TYR 66 HB1 TYR 66 97.345 -2.172 4.239 548 HD1 TYR 66 HD1 TYR 66 94.135 -0.802 4.413 549 HD2 TYR 66 HD2 TYR 66 96.980 -2.958 6.804 550 HE1 TYR 66 HE1 TYR 66 92.297 -1.620 5.865 551 HE2 TYR 66 HE2 TYR 66 95.143 -3.776 8.254 552 HH TYR 66 HH TYR 66 92.404 -2.532 8.624 553 H TYR 67 HN TYR 67 98.271 1.390 3.749 554 HA TYR 67 HA TYR 67 100.482 0.229 2.393 555 1HB TYR 67 HB2 TYR 67 99.522 2.050 1.274 556 2HB TYR 67 HB1 TYR 67 99.484 3.047 2.729 557 HD1 TYR 67 HD1 TYR 67 101.147 4.655 3.049 558 HD2 TYR 67 HD2 TYR 67 101.926 1.306 0.475 559 HE1 TYR 67 HE1 TYR 67 103.343 5.634 2.440 560 HE2 TYR 67 HE2 TYR 67 104.122 2.285 -0.134 561 HH TYR 67 HH TYR 67 105.105 5.481 1.070 562 H ASN 68 HN ASN 68 100.507 2.743 4.951 563 HA ASN 68 HA ASN 68 103.369 2.678 5.255 564 1HB ASN 68 HB2 ASN 68 101.129 3.675 7.029 565 2HB ASN 68 HB1 ASN 68 102.827 3.811 7.485 566 1HD2 ASN 68 HD21 ASN 68 101.129 6.112 6.963 567 2HD2 ASN 68 HD22 ASN 68 101.748 6.903 5.595 568 H THR 69 HN THR 69 100.710 0.926 6.790 569 HA THR 69 HA THR 69 102.252 -0.191 8.940 570 HB THR 69 HB THR 69 99.858 -1.489 7.618 571 HG1 THR 69 HG1 THR 69 99.176 0.534 8.031 572 1HG2 THR 69 HG21 THR 69 99.850 -2.843 9.418 573 2HG2 THR 69 HG22 THR 69 100.048 -1.484 10.524 574 3HG2 THR 69 HG23 THR 69 101.462 -2.227 9.776 575 H PHE 70 HN PHE 70 101.458 -1.380 5.675 576 HA PHE 70 HA PHE 70 103.485 -3.542 6.093 577 1HB PHE 70 HB2 PHE 70 101.052 -3.447 4.285 578 2HB PHE 70 HB1 PHE 70 102.266 -4.725 4.235 579 HD1 PHE 70 HD1 PHE 70 102.534 -6.290 6.111 580 HD2 PHE 70 HD2 PHE 70 99.509 -3.241 6.156 581 HE1 PHE 70 HE1 PHE 70 101.406 -7.439 7.997 582 HE2 PHE 70 HE2 PHE 70 98.380 -4.389 8.042 583 HZ PHE 70 HZ PHE 70 99.328 -6.488 8.963 584 H GLY 71 HN GLY 71 102.087 -1.440 3.554 585 1HA GLY 71 HA2 GLY 71 104.077 -0.080 2.480 586 2HA GLY 71 HA1 GLY 71 104.634 -1.695 2.041 587 HA PRO 72 HA PRO 72 101.824 -0.182 -1.325 588 1HB PRO 72 HB2 PRO 72 103.561 -0.864 -3.373 589 2HB PRO 72 HB1 PRO 72 103.485 0.731 -2.608 590 1HG PRO 72 HG2 PRO 72 105.480 -1.403 -2.304 591 2HG PRO 72 HG1 PRO 72 105.635 0.341 -2.038 592 1HD PRO 72 HD2 PRO 72 105.397 -1.627 -0.064 593 2HD PRO 72 HD1 PRO 72 105.216 0.127 0.179 594 H GLU 73 HN GLU 73 103.375 -3.158 -0.550 595 HA GLU 73 HA GLU 73 102.402 -4.820 -2.659 596 1HB GLU 73 HB2 GLU 73 102.954 -5.474 0.251 597 2HB GLU 73 HB1 GLU 73 102.669 -6.677 -1.007 598 1HG GLU 73 HG2 GLU 73 104.621 -5.891 -2.250 599 2HG GLU 73 HG1 GLU 73 104.883 -4.606 -1.069 600 H LYS 74 HN LYS 74 101.010 -4.107 0.560 601 HA LYS 74 HA LYS 74 98.593 -5.593 0.115 602 1HB LYS 74 HB2 LYS 74 99.167 -3.252 1.959 603 2HB LYS 74 HB1 LYS 74 97.705 -4.238 2.021 604 1HG LYS 74 HG2 LYS 74 100.518 -5.331 2.310 605 2HG LYS 74 HG1 LYS 74 99.443 -4.974 3.663 606 1HD LYS 74 HD2 LYS 74 97.755 -6.499 2.313 607 2HD LYS 74 HD1 LYS 74 99.237 -7.139 1.599 608 1HE LYS 74 HE2 LYS 74 100.121 -7.588 3.871 609 2HE LYS 74 HE1 LYS 74 98.614 -6.990 4.564 610 1HZ LYS 74 HZ1 LYS 74 98.462 -9.339 4.432 611 2HZ LYS 74 HZ2 LYS 74 98.978 -9.356 2.812 612 3HZ LYS 74 HZ3 LYS 74 97.457 -8.714 3.216 613 H VAL 75 HN VAL 75 99.414 -2.154 -0.322 614 HA VAL 75 HA VAL 75 97.222 -1.937 -2.291 615 HB VAL 75 HB VAL 75 96.271 0.060 -1.201 616 1HG1 VAL 75 HG11 VAL 75 95.094 -1.082 0.563 617 2HG1 VAL 75 HG12 VAL 75 96.416 -2.230 0.777 618 3HG1 VAL 75 HG13 VAL 75 95.436 -2.278 -0.688 619 1HG2 VAL 75 HG21 VAL 75 97.140 0.001 1.407 620 2HG2 VAL 75 HG22 VAL 75 97.727 1.130 0.185 621 3HG2 VAL 75 HG23 VAL 75 98.628 -0.346 0.526 622 HA PRO 76 HA PRO 76 100.934 0.474 -3.462 623 1HB PRO 76 HB2 PRO 76 101.043 -0.420 -6.039 624 2HB PRO 76 HB1 PRO 76 101.741 -1.313 -4.673 625 1HG PRO 76 HG2 PRO 76 99.269 -1.828 -6.195 626 2HG PRO 76 HG1 PRO 76 100.327 -2.956 -5.333 627 1HD PRO 76 HD2 PRO 76 97.847 -1.942 -4.465 628 2HD PRO 76 HD1 PRO 76 99.011 -2.860 -3.486 629 H VAL 77 HN VAL 77 101.187 1.766 -5.756 630 HA VAL 77 HA VAL 77 99.143 3.762 -5.728 631 HB VAL 77 HB VAL 77 100.239 4.458 -7.944 632 1HG1 VAL 77 HG11 VAL 77 102.511 4.843 -6.667 633 2HG1 VAL 77 HG12 VAL 77 101.630 4.161 -5.299 634 3HG1 VAL 77 HG13 VAL 77 101.038 5.623 -6.088 635 1HG2 VAL 77 HG21 VAL 77 102.099 3.275 -8.739 636 2HG2 VAL 77 HG22 VAL 77 101.020 1.971 -8.244 637 3HG2 VAL 77 HG23 VAL 77 102.356 2.453 -7.199 638 H THR 78 HN THR 78 99.308 0.696 -7.275 639 HA THR 78 HA THR 78 97.717 1.195 -9.591 640 HB THR 78 HB THR 78 97.399 -1.179 -9.696 641 HG1 THR 78 HG1 THR 78 97.957 -2.419 -7.763 642 1HG2 THR 78 HG21 THR 78 99.786 -0.230 -9.821 643 2HG2 THR 78 HG22 THR 78 99.630 -1.964 -9.542 644 3HG2 THR 78 HG23 THR 78 100.003 -0.885 -8.197 645 H ALA 79 HN ALA 79 96.874 0.667 -6.215 646 HA ALA 79 HA ALA 79 94.081 0.170 -6.586 647 1HB ALA 79 HB1 ALA 79 93.845 0.731 -4.240 648 2HB ALA 79 HB2 ALA 79 95.381 1.598 -4.248 649 3HB ALA 79 HB3 ALA 79 95.356 -0.155 -4.437 650 H PHE 80 HN PHE 80 95.931 3.183 -6.197 651 HA PHE 80 HA PHE 80 93.629 4.912 -6.175 652 1HB PHE 80 HB2 PHE 80 96.538 5.392 -6.867 653 2HB PHE 80 HB1 PHE 80 95.333 6.680 -6.830 654 HD1 PHE 80 HD1 PHE 80 97.008 4.069 -4.781 655 HD2 PHE 80 HD2 PHE 80 94.537 7.582 -4.764 656 HE1 PHE 80 HE1 PHE 80 97.258 4.232 -2.319 657 HE2 PHE 80 HE2 PHE 80 94.787 7.746 -2.302 658 HZ PHE 80 HZ PHE 80 96.147 6.070 -1.080 659 H SER 81 HN SER 81 95.721 3.663 -8.754 660 HA SER 81 HA SER 81 94.676 5.252 -10.879 661 1HB SER 81 HB2 SER 81 96.720 3.867 -11.090 662 2HB SER 81 HB1 SER 81 95.737 2.410 -10.984 663 HG SER 81 HG SER 81 96.180 4.084 -13.090 664 H TYR 82 HN TYR 82 93.751 1.960 -9.810 665 HA TYR 82 HA TYR 82 91.598 1.650 -11.651 666 1HB TYR 82 HB2 TYR 82 92.266 0.424 -8.986 667 2HB TYR 82 HB1 TYR 82 90.722 0.066 -9.758 668 HD1 TYR 82 HD1 TYR 82 94.099 -0.922 -9.511 669 HD2 TYR 82 HD2 TYR 82 90.894 -0.536 -12.346 670 HE1 TYR 82 HE1 TYR 82 95.218 -2.561 -11.000 671 HE2 TYR 82 HE2 TYR 82 92.013 -2.174 -13.833 672 HH TYR 82 HH TYR 82 93.690 -4.097 -13.518 673 H TRP 83 HN TRP 83 91.653 2.936 -8.325 674 HA TRP 83 HA TRP 83 88.832 3.393 -8.138 675 1HB TRP 83 HB2 TRP 83 90.824 3.553 -6.353 676 2HB TRP 83 HB1 TRP 83 90.717 5.262 -6.771 677 HD1 TRP 83 HD1 TRP 83 88.545 6.574 -6.089 678 HE1 TRP 83 HE1 TRP 83 86.585 6.019 -4.510 679 HE3 TRP 83 HE3 TRP 83 89.322 1.568 -5.446 680 HZ2 TRP 83 HZ2 TRP 83 85.492 3.751 -3.153 681 HZ3 TRP 83 HZ3 TRP 83 87.808 0.236 -4.007 682 HH2 TRP 83 HH2 TRP 83 85.895 1.320 -2.860 683 H ASN 84 HN ASN 84 91.494 5.346 -9.412 684 HA ASN 84 HA ASN 84 90.137 7.809 -9.714 685 1HB ASN 84 HB2 ASN 84 92.279 6.515 -11.422 686 2HB ASN 84 HB1 ASN 84 91.731 8.176 -11.647 687 1HD2 ASN 84 HD21 ASN 84 94.437 7.532 -10.864 688 2HD2 ASN 84 HD22 ASN 84 94.679 8.126 -9.292 689 H LEU 85 HN LEU 85 90.297 5.014 -11.923 690 HA LEU 85 HA LEU 85 88.657 6.144 -13.975 691 1HB LEU 85 HB2 LEU 85 89.157 3.272 -13.153 692 2HB LEU 85 HB1 LEU 85 88.235 3.724 -14.588 693 HG LEU 85 HG LEU 85 91.065 4.658 -14.046 694 1HD1 LEU 85 HD11 LEU 85 90.073 2.423 -15.843 695 2HD1 LEU 85 HD12 LEU 85 90.982 2.204 -14.349 696 3HD1 LEU 85 HD13 LEU 85 91.739 2.991 -15.734 697 1HD2 LEU 85 HD21 LEU 85 90.543 4.727 -16.765 698 2HD2 LEU 85 HD22 LEU 85 90.473 6.116 -15.681 699 3HD2 LEU 85 HD23 LEU 85 89.003 5.218 -16.059 700 H ILE 86 HN ILE 86 87.859 4.256 -11.069 701 HA ILE 86 HA ILE 86 85.053 4.021 -11.623 702 HB ILE 86 HB ILE 86 86.708 3.894 -9.104 703 1HG1 ILE 86 HG12 ILE 86 86.389 2.052 -10.997 704 2HG1 ILE 86 HG11 ILE 86 86.417 1.598 -9.292 705 1HG2 ILE 86 HG21 ILE 86 84.713 4.786 -8.225 706 2HG2 ILE 86 HG22 ILE 86 84.468 3.045 -8.090 707 3HG2 ILE 86 HG23 ILE 86 83.708 3.943 -9.405 708 1HD1 ILE 86 HD11 ILE 86 83.826 2.326 -10.647 709 2HD1 ILE 86 HD12 ILE 86 84.076 1.368 -9.188 710 3HD1 ILE 86 HD13 ILE 86 84.478 0.691 -10.766 711 H LYS 87 HN LYS 87 86.956 6.444 -9.838 712 HA LYS 87 HA LYS 87 84.835 7.987 -8.805 713 1HB LYS 87 HB2 LYS 87 87.249 8.365 -8.300 714 2HB LYS 87 HB1 LYS 87 87.457 9.033 -9.919 715 1HG LYS 87 HG2 LYS 87 85.815 10.793 -9.426 716 2HG LYS 87 HG1 LYS 87 85.552 10.112 -7.819 717 1HD LYS 87 HD2 LYS 87 87.918 10.515 -7.254 718 2HD LYS 87 HD1 LYS 87 88.188 11.193 -8.860 719 1HE LYS 87 HE2 LYS 87 86.477 12.934 -8.388 720 2HE LYS 87 HE1 LYS 87 86.290 12.281 -6.760 721 1HZ LYS 87 HZ1 LYS 87 88.945 13.076 -7.770 722 2HZ LYS 87 HZ2 LYS 87 88.413 12.931 -6.162 723 3HZ LYS 87 HZ3 LYS 87 87.889 14.233 -7.119 724 H GLU 88 HN GLU 88 86.297 8.034 -12.044 725 HA GLU 88 HA GLU 88 84.777 10.319 -12.955 726 1HB GLU 88 HB2 GLU 88 86.201 8.108 -14.465 727 2HB GLU 88 HB1 GLU 88 85.480 9.521 -15.236 728 1HG GLU 88 HG2 GLU 88 86.934 11.008 -13.946 729 2HG GLU 88 HG1 GLU 88 87.620 9.626 -13.091 730 H LEU 89 HN LEU 89 84.303 6.807 -13.100 731 HA LEU 89 HA LEU 89 82.036 6.859 -14.853 732 1HB LEU 89 HB2 LEU 89 83.272 4.901 -12.989 733 2HB LEU 89 HB1 LEU 89 81.573 4.636 -13.382 734 HG LEU 89 HG LEU 89 83.201 3.497 -14.949 735 1HD1 LEU 89 HD11 LEU 89 81.516 3.610 -16.438 736 2HD1 LEU 89 HD12 LEU 89 81.917 5.284 -16.825 737 3HD1 LEU 89 HD13 LEU 89 80.826 4.926 -15.488 738 1HD2 LEU 89 HD21 LEU 89 84.710 4.692 -16.203 739 2HD2 LEU 89 HD22 LEU 89 84.601 5.807 -14.840 740 3HD2 LEU 89 HD23 LEU 89 83.662 6.107 -16.301 741 H ILE 90 HN ILE 90 82.307 6.916 -11.300 742 HA ILE 90 HA ILE 90 79.421 7.017 -10.928 743 HB ILE 90 HB ILE 90 79.966 7.416 -8.566 744 1HG1 ILE 90 HG12 ILE 90 82.768 7.790 -9.661 745 2HG1 ILE 90 HG11 ILE 90 81.803 8.969 -8.774 746 1HG2 ILE 90 HG21 ILE 90 80.977 5.331 -8.146 747 2HG2 ILE 90 HG22 ILE 90 82.008 5.442 -9.573 748 3HG2 ILE 90 HG23 ILE 90 80.283 5.124 -9.754 749 1HD1 ILE 90 HD11 ILE 90 83.187 8.139 -7.088 750 2HD1 ILE 90 HD12 ILE 90 83.186 6.507 -7.753 751 3HD1 ILE 90 HD13 ILE 90 81.761 7.117 -6.911 752 H ASP 91 HN ASP 91 82.064 9.385 -10.972 753 HA ASP 91 HA ASP 91 80.550 11.641 -10.109 754 1HB ASP 91 HB2 ASP 91 83.044 11.275 -11.742 755 2HB ASP 91 HB1 ASP 91 82.312 12.876 -11.630 756 H LYS 92 HN LYS 92 81.151 10.352 -13.382 757 HA LYS 92 HA LYS 92 79.613 12.391 -14.722 758 1HB LYS 92 HB2 LYS 92 80.465 9.604 -15.548 759 2HB LYS 92 HB1 LYS 92 79.611 10.712 -16.622 760 1HG LYS 92 HG2 LYS 92 81.414 12.384 -16.310 761 2HG LYS 92 HG1 LYS 92 82.278 11.243 -15.279 762 1HD LYS 92 HD2 LYS 92 82.410 9.641 -17.147 763 2HD LYS 92 HD1 LYS 92 81.538 10.773 -18.182 764 1HE LYS 92 HE2 LYS 92 84.136 11.480 -16.800 765 2HE LYS 92 HE1 LYS 92 84.069 10.809 -18.430 766 1HZ LYS 92 HZ1 LYS 92 82.215 12.874 -18.316 767 2HZ LYS 92 HZ2 LYS 92 83.678 12.838 -19.180 768 3HZ LYS 92 HZ3 LYS 92 83.635 13.467 -17.602 769 H LYS 93 HN LYS 93 78.838 9.120 -13.548 770 HA LYS 93 HA LYS 93 76.054 9.374 -14.465 771 1HB LYS 93 HB2 LYS 93 77.214 7.178 -14.512 772 2HB LYS 93 HB1 LYS 93 77.362 7.236 -12.756 773 1HG LYS 93 HG2 LYS 93 74.915 7.309 -12.536 774 2HG LYS 93 HG1 LYS 93 74.748 7.286 -14.292 775 1HD LYS 93 HD2 LYS 93 75.894 5.092 -14.363 776 2HD LYS 93 HD1 LYS 93 76.015 5.109 -12.603 777 1HE LYS 93 HE2 LYS 93 73.577 5.152 -12.403 778 2HE LYS 93 HE1 LYS 93 73.414 5.226 -14.158 779 1HZ LYS 93 HZ1 LYS 93 74.587 3.004 -12.576 780 2HZ LYS 93 HZ2 LYS 93 74.596 3.084 -14.273 781 3HZ LYS 93 HZ3 LYS 93 73.123 2.977 -13.433 782 H GLU 94 HN GLU 94 74.321 9.898 -13.158 783 HA GLU 94 HA GLU 94 74.711 11.377 -10.775 784 1HB GLU 94 HB2 GLU 94 72.273 9.885 -11.786 785 2HB GLU 94 HB1 GLU 94 72.246 10.987 -10.407 786 1HG GLU 94 HG2 GLU 94 72.979 12.836 -11.809 787 2HG GLU 94 HG1 GLU 94 73.175 11.755 -13.189 788 H VAL 95 HN VAL 95 74.709 10.800 -8.600 789 HA VAL 95 HA VAL 95 74.130 8.000 -7.849 790 HB VAL 95 HB VAL 95 76.579 8.150 -8.514 791 1HG1 VAL 95 HG11 VAL 95 77.227 9.439 -5.940 792 2HG1 VAL 95 HG12 VAL 95 76.510 10.519 -7.135 793 3HG1 VAL 95 HG13 VAL 95 77.986 9.635 -7.519 794 1HG2 VAL 95 HG21 VAL 95 75.330 6.995 -6.207 795 2HG2 VAL 95 HG22 VAL 95 76.963 7.490 -5.762 796 3HG2 VAL 95 HG23 VAL 95 76.715 6.388 -7.116 797 H ASN 96 HN ASN 96 75.613 8.466 -5.285 798 HA ASN 96 HA ASN 96 73.863 10.585 -4.110 799 1HB ASN 96 HB2 ASN 96 73.026 8.223 -3.685 800 2HB ASN 96 HB1 ASN 96 74.501 7.952 -2.756 801 1HD2 ASN 96 HD21 ASN 96 71.431 8.412 -2.068 802 2HD2 ASN 96 HD22 ASN 96 71.515 9.498 -0.767 803 HA PRO 97 HA PRO 97 78.312 11.302 -3.021 804 1HB PRO 97 HB2 PRO 97 77.420 14.109 -3.181 805 2HB PRO 97 HB1 PRO 97 78.768 13.305 -4.009 806 1HG PRO 97 HG2 PRO 97 76.571 14.055 -5.319 807 2HG PRO 97 HG1 PRO 97 77.452 12.577 -5.739 808 1HD PRO 97 HD2 PRO 97 74.896 12.860 -4.188 809 2HD PRO 97 HD1 PRO 97 75.353 11.670 -5.426 810 H GLN 98 HN GLN 98 78.936 13.368 -1.360 811 HA GLN 98 HA GLN 98 77.893 12.532 1.170 812 1HB GLN 98 HB2 GLN 98 79.470 14.963 0.305 813 2HB GLN 98 HB1 GLN 98 79.010 14.691 1.986 814 1HG GLN 98 HG2 GLN 98 80.163 12.516 1.960 815 2HG GLN 98 HG1 GLN 98 80.612 12.767 0.273 816 1HE2 GLN 98 HE21 GLN 98 81.922 12.956 3.292 817 2HE2 GLN 98 HE22 GLN 98 83.046 14.205 3.049 818 H VAL 99 HN VAL 99 77.089 15.256 -0.959 819 HA VAL 99 HA VAL 99 74.695 15.742 0.768 820 HB VAL 99 HB VAL 99 76.457 17.740 -0.672 821 1HG1 VAL 99 HG11 VAL 99 74.585 19.249 0.592 822 2HG1 VAL 99 HG12 VAL 99 73.602 17.862 0.120 823 3HG1 VAL 99 HG13 VAL 99 74.471 18.785 -1.106 824 1HG2 VAL 99 HG21 VAL 99 76.510 16.734 1.921 825 2HG2 VAL 99 HG22 VAL 99 75.617 18.245 2.089 826 3HG2 VAL 99 HG23 VAL 99 77.238 18.251 1.393 827 H MET 100 HN MET 100 72.784 15.566 -0.316 828 HA MET 100 HA MET 100 72.867 15.083 -3.224 829 1HB MET 100 HB2 MET 100 70.592 14.989 -1.219 830 2HB MET 100 HB1 MET 100 70.442 14.560 -2.924 831 1HG MET 100 HG2 MET 100 72.138 12.798 -2.642 832 2HG MET 100 HG1 MET 100 72.315 13.232 -0.941 833 1HE MET 100 HE1 MET 100 68.986 11.137 -3.154 834 2HE MET 100 HE2 MET 100 70.227 12.236 -3.751 835 3HE MET 100 HE3 MET 100 68.739 12.886 -3.067 Start of MODEL 16 1 1H MET 1 HT1 MET 1 73.189 -5.855 -3.192 2 2H MET 1 HT2 MET 1 74.096 -6.824 -2.130 3 3H MET 1 HT3 MET 1 73.876 -5.172 -1.800 4 HA MET 1 HA MET 1 72.462 -6.674 -0.437 5 1HB MET 1 HB2 MET 1 71.906 -4.274 -0.934 6 2HB MET 1 HB1 MET 1 70.954 -4.829 -2.311 7 1HG MET 1 HG2 MET 1 69.519 -6.143 -0.831 8 2HG MET 1 HG1 MET 1 70.501 -5.689 0.561 9 1HE MET 1 HE1 MET 1 68.438 -4.729 -2.319 10 2HE MET 1 HE2 MET 1 69.315 -3.213 -2.509 11 3HE MET 1 HE3 MET 1 67.647 -3.192 -1.943 12 H GLY 2 HN GLY 2 70.544 -8.033 -0.464 13 1HA GLY 2 HA2 GLY 2 68.917 -9.430 -1.536 14 2HA GLY 2 HA1 GLY 2 69.636 -9.029 -3.096 15 H GLN 3 HN GLN 3 72.159 -9.709 -1.076 16 HA GLN 3 HA GLN 3 72.443 -12.412 -2.240 17 1HB GLN 3 HB2 GLN 3 74.378 -10.769 -0.578 18 2HB GLN 3 HB1 GLN 3 74.756 -12.280 -1.404 19 1HG GLN 3 HG2 GLN 3 73.774 -9.770 -2.792 20 2HG GLN 3 HG1 GLN 3 75.464 -10.265 -2.703 21 1HE2 GLN 3 HE21 GLN 3 72.993 -10.289 -4.841 22 2HE2 GLN 3 HE22 GLN 3 73.315 -11.735 -5.670 23 H GLU 4 HN GLU 4 72.998 -14.252 -0.861 24 HA GLU 4 HA GLU 4 71.327 -14.478 1.454 25 1HB GLU 4 HB2 GLU 4 73.653 -16.181 0.512 26 2HB GLU 4 HB1 GLU 4 72.565 -16.630 1.825 27 1HG GLU 4 HG2 GLU 4 70.650 -16.566 0.302 28 2HG GLU 4 HG1 GLU 4 71.691 -16.028 -1.017 29 H LEU 5 HN LEU 5 71.753 -14.043 3.584 30 HA LEU 5 HA LEU 5 74.322 -12.755 4.230 31 1HB LEU 5 HB2 LEU 5 71.748 -13.173 5.766 32 2HB LEU 5 HB1 LEU 5 73.188 -12.472 6.506 33 HG LEU 5 HG LEU 5 71.917 -11.395 3.976 34 1HD1 LEU 5 HD11 LEU 5 71.153 -11.101 6.777 35 2HD1 LEU 5 HD12 LEU 5 70.305 -10.567 5.325 36 3HD1 LEU 5 HD13 LEU 5 71.557 -9.550 6.039 37 1HD2 LEU 5 HD21 LEU 5 74.027 -10.484 3.944 38 2HD2 LEU 5 HD22 LEU 5 74.262 -10.711 5.677 39 3HD2 LEU 5 HD23 LEU 5 73.300 -9.356 5.087 40 H SER 6 HN SER 6 75.952 -14.228 4.542 41 HA SER 6 HA SER 6 75.404 -16.776 5.917 42 1HB SER 6 HB2 SER 6 77.879 -17.138 5.532 43 2HB SER 6 HB1 SER 6 76.938 -16.891 4.064 44 HG SER 6 HG SER 6 78.116 -15.202 3.700 45 H GLN 7 HN GLN 7 77.194 -17.363 7.647 46 HA GLN 7 HA GLN 7 76.768 -15.801 9.945 47 1HB GLN 7 HB2 GLN 7 77.654 -18.109 10.009 48 2HB GLN 7 HB1 GLN 7 79.177 -17.539 9.327 49 1HG GLN 7 HG2 GLN 7 79.615 -16.169 11.267 50 2HG GLN 7 HG1 GLN 7 78.007 -16.491 11.918 51 1HE2 GLN 7 HE21 GLN 7 80.620 -17.143 13.200 52 2HE2 GLN 7 HE22 GLN 7 80.625 -18.826 13.419 53 H HIS 8 HN HIS 8 79.484 -15.677 7.640 54 HA HIS 8 HA HIS 8 80.923 -13.621 9.055 55 1HB HIS 8 HB2 HIS 8 81.149 -13.795 6.088 56 2HB HIS 8 HB1 HIS 8 82.419 -13.721 7.310 57 HD2 HIS 8 HD2 HIS 8 80.096 -16.437 5.628 58 HE1 HIS 8 HE1 HIS 8 83.075 -18.426 7.867 59 HE2 HIS 8 HE2 HIS 8 81.160 -18.740 6.233 60 H GLU 9 HN GLU 9 78.627 -13.524 6.321 61 HA GLU 9 HA GLU 9 78.737 -10.711 5.893 62 1HB GLU 9 HB2 GLU 9 76.463 -12.676 5.479 63 2HB GLU 9 HB1 GLU 9 76.456 -11.016 4.884 64 1HG GLU 9 HG2 GLU 9 78.602 -13.045 4.202 65 2HG GLU 9 HG1 GLU 9 77.213 -12.696 3.173 66 H ARG 10 HN ARG 10 76.767 -12.671 8.105 67 HA ARG 10 HA ARG 10 75.100 -10.562 9.065 68 1HB ARG 10 HB2 ARG 10 76.069 -13.123 10.360 69 2HB ARG 10 HB1 ARG 10 74.904 -12.041 11.126 70 1HG ARG 10 HG2 ARG 10 73.387 -12.282 9.210 71 2HG ARG 10 HG1 ARG 10 74.558 -13.324 8.400 72 1HD ARG 10 HD2 ARG 10 74.389 -14.961 10.229 73 2HD ARG 10 HD1 ARG 10 73.241 -13.917 11.066 74 HE ARG 10 HE ARG 10 72.370 -14.563 8.370 75 1HH1 ARG 10 HH21 ARG 10 72.598 -15.615 11.645 76 2HH1 ARG 10 HH22 ARG 10 71.229 -16.673 11.540 77 1HH2 ARG 10 HH11 ARG 10 70.581 -15.937 8.213 78 2HH2 ARG 10 HH12 ARG 10 70.088 -16.855 9.597 79 H TYR 11 HN TYR 11 78.321 -11.671 10.069 80 HA TYR 11 HA TYR 11 78.571 -10.085 12.413 81 1HB TYR 11 HB2 TYR 11 80.211 -11.809 11.863 82 2HB TYR 11 HB1 TYR 11 80.689 -10.928 10.411 83 HD1 TYR 11 HD1 TYR 11 82.196 -9.074 10.516 84 HD2 TYR 11 HD2 TYR 11 80.635 -10.800 14.127 85 HE1 TYR 11 HE1 TYR 11 83.814 -7.750 11.849 86 HE2 TYR 11 HE2 TYR 11 82.254 -9.475 15.459 87 HH TYR 11 HH TYR 11 84.706 -7.447 13.883 88 H VAL 12 HN VAL 12 79.245 -9.304 9.003 89 HA VAL 12 HA VAL 12 80.333 -6.705 9.460 90 HB VAL 12 HB VAL 12 78.637 -7.450 7.070 91 1HG1 VAL 12 HG11 VAL 12 79.770 -5.110 7.586 92 2HG1 VAL 12 HG12 VAL 12 79.818 -5.787 5.958 93 3HG1 VAL 12 HG13 VAL 12 81.222 -5.934 7.016 94 1HG2 VAL 12 HG21 VAL 12 80.100 -9.329 7.342 95 2HG2 VAL 12 HG22 VAL 12 81.456 -8.293 7.786 96 3HG2 VAL 12 HG23 VAL 12 80.857 -8.298 6.127 97 H GLU 13 HN GLU 13 76.981 -7.779 8.890 98 HA GLU 13 HA GLU 13 75.701 -5.288 8.805 99 1HB GLU 13 HB2 GLU 13 74.557 -7.486 8.507 100 2HB GLU 13 HB1 GLU 13 74.690 -7.761 10.245 101 1HG GLU 13 HG2 GLU 13 73.363 -5.743 10.687 102 2HG GLU 13 HG1 GLU 13 73.260 -5.417 8.957 103 H GLN 14 HN GLN 14 76.597 -7.192 11.698 104 HA GLN 14 HA GLN 14 75.577 -5.271 13.579 105 1HB GLN 14 HB2 GLN 14 76.129 -7.630 14.172 106 2HB GLN 14 HB1 GLN 14 77.839 -7.264 13.944 107 1HG GLN 14 HG2 GLN 14 77.808 -5.653 15.743 108 2HG GLN 14 HG1 GLN 14 76.053 -5.771 15.883 109 1HE2 GLN 14 HE21 GLN 14 77.696 -6.324 18.138 110 2HE2 GLN 14 HE22 GLN 14 77.606 -7.982 18.490 111 H LEU 15 HN LEU 15 78.716 -5.697 11.990 112 HA LEU 15 HA LEU 15 80.135 -3.733 13.510 113 1HB LEU 15 HB2 LEU 15 81.344 -5.293 12.087 114 2HB LEU 15 HB1 LEU 15 80.516 -4.682 10.654 115 HG LEU 15 HG LEU 15 81.550 -2.487 10.949 116 1HD1 LEU 15 HD11 LEU 15 81.810 -2.126 13.234 117 2HD1 LEU 15 HD12 LEU 15 83.467 -2.509 12.768 118 3HD1 LEU 15 HD13 LEU 15 82.455 -3.742 13.520 119 1HD2 LEU 15 HD21 LEU 15 82.840 -4.792 10.150 120 2HD2 LEU 15 HD22 LEU 15 83.965 -4.126 11.334 121 3HD2 LEU 15 HD23 LEU 15 83.474 -3.160 9.943 122 H LYS 16 HN LYS 16 78.171 -3.524 10.561 123 HA LYS 16 HA LYS 16 78.692 -0.776 9.983 124 1HB LYS 16 HB2 LYS 16 77.580 -2.374 8.413 125 2HB LYS 16 HB1 LYS 16 76.146 -2.334 9.440 126 1HG LYS 16 HG2 LYS 16 75.929 0.083 9.086 127 2HG LYS 16 HG1 LYS 16 77.395 0.086 8.105 128 1HD LYS 16 HD2 LYS 16 76.321 -1.451 6.496 129 2HD LYS 16 HD1 LYS 16 74.849 -1.436 7.471 130 1HE LYS 16 HE2 LYS 16 74.581 0.958 7.106 131 2HE LYS 16 HE1 LYS 16 76.114 1.029 6.239 132 1HZ LYS 16 HZ1 LYS 16 74.014 -0.819 5.336 133 2HZ LYS 16 HZ2 LYS 16 75.259 -0.084 4.442 134 3HZ LYS 16 HZ3 LYS 16 73.909 0.825 4.929 135 H GLN 17 HN GLN 17 76.183 -2.338 11.977 136 HA GLN 17 HA GLN 17 74.669 -0.058 12.637 137 1HB GLN 17 HB2 GLN 17 75.401 -2.449 14.351 138 2HB GLN 17 HB1 GLN 17 74.178 -1.259 14.794 139 1HG GLN 17 HG2 GLN 17 72.872 -1.786 12.812 140 2HG GLN 17 HG1 GLN 17 74.133 -2.874 12.229 141 1HE2 GLN 17 HE21 GLN 17 71.848 -4.211 12.433 142 2HE2 GLN 17 HE22 GLN 17 71.729 -5.118 13.863 143 H ALA 18 HN ALA 18 77.626 -1.306 14.194 144 HA ALA 18 HA ALA 18 77.818 0.723 16.194 145 1HB ALA 18 HB1 ALA 18 79.308 -0.982 16.636 146 2HB ALA 18 HB2 ALA 18 80.406 0.129 15.816 147 3HB ALA 18 HB3 ALA 18 79.698 -1.223 14.932 148 H LEU 19 HN LEU 19 78.973 0.584 12.840 149 HA LEU 19 HA LEU 19 80.485 3.007 12.893 150 1HB LEU 19 HB2 LEU 19 78.981 1.673 10.622 151 2HB LEU 19 HB1 LEU 19 80.107 3.015 10.415 152 HG LEU 19 HG LEU 19 80.830 0.370 11.709 153 1HD1 LEU 19 HD11 LEU 19 81.057 -0.461 9.630 154 2HD1 LEU 19 HD12 LEU 19 82.223 0.812 9.270 155 3HD1 LEU 19 HD13 LEU 19 80.510 1.067 8.939 156 1HD2 LEU 19 HD21 LEU 19 82.232 2.950 11.179 157 2HD2 LEU 19 HD22 LEU 19 83.158 1.469 10.942 158 3HD2 LEU 19 HD23 LEU 19 82.436 1.815 12.513 159 H LYS 20 HN LYS 20 77.043 2.367 12.318 160 HA LYS 20 HA LYS 20 76.266 4.960 11.482 161 1HB LYS 20 HB2 LYS 20 74.779 2.889 13.123 162 2HB LYS 20 HB1 LYS 20 74.026 4.347 12.474 163 1HG LYS 20 HG2 LYS 20 74.725 3.656 10.186 164 2HG LYS 20 HG1 LYS 20 75.379 2.164 10.862 165 1HD LYS 20 HD2 LYS 20 73.164 1.522 11.676 166 2HD LYS 20 HD1 LYS 20 72.487 3.045 11.097 167 1HE LYS 20 HE2 LYS 20 71.961 1.620 9.332 168 2HE LYS 20 HE1 LYS 20 73.504 2.283 8.790 169 1HZ LYS 20 HZ1 LYS 20 73.882 0.061 8.540 170 2HZ LYS 20 HZ2 LYS 20 72.889 -0.383 9.845 171 3HZ LYS 20 HZ3 LYS 20 74.434 0.264 10.131 172 H THR 21 HN THR 21 76.612 3.612 14.761 173 HA THR 21 HA THR 21 75.731 5.967 16.141 174 HB THR 21 HB THR 21 76.911 4.974 18.097 175 HG1 THR 21 HG1 THR 21 78.685 4.058 17.252 176 1HG2 THR 21 HG21 THR 21 74.845 3.767 16.499 177 2HG2 THR 21 HG22 THR 21 75.027 3.760 18.253 178 3HG2 THR 21 HG23 THR 21 75.792 2.503 17.282 179 H ARG 22 HN ARG 22 78.733 5.104 14.597 180 HA ARG 22 HA ARG 22 80.280 7.190 15.962 181 1HB ARG 22 HB2 ARG 22 80.860 5.392 13.592 182 2HB ARG 22 HB1 ARG 22 82.004 6.593 14.193 183 1HG ARG 22 HG2 ARG 22 81.987 5.521 16.408 184 2HG ARG 22 HG1 ARG 22 80.819 4.331 15.832 185 1HD ARG 22 HD2 ARG 22 82.431 3.528 14.163 186 2HD ARG 22 HD1 ARG 22 83.599 4.740 14.690 187 HE ARG 22 HE ARG 22 82.908 2.267 16.123 188 1HH1 ARG 22 HH21 ARG 22 84.303 5.421 16.157 189 2HH1 ARG 22 HH22 ARG 22 85.296 5.111 17.543 190 1HH2 ARG 22 HH11 ARG 22 84.196 1.846 17.931 191 2HH2 ARG 22 HH12 ARG 22 85.236 3.088 18.547 192 H GLY 23 HN GLY 23 77.953 7.181 13.552 193 1HA GLY 23 HA2 GLY 23 77.210 9.248 12.518 194 2HA GLY 23 HA1 GLY 23 78.862 9.861 12.634 195 H VAL 24 HN VAL 24 77.586 6.796 11.318 196 HA VAL 24 HA VAL 24 78.862 7.537 8.714 197 HB VAL 24 HB VAL 24 78.728 4.852 10.112 198 1HG1 VAL 24 HG11 VAL 24 78.472 4.053 7.987 199 2HG1 VAL 24 HG12 VAL 24 80.192 4.418 7.855 200 3HG1 VAL 24 HG13 VAL 24 78.997 5.566 7.248 201 1HG2 VAL 24 HG21 VAL 24 80.898 5.229 10.629 202 2HG2 VAL 24 HG22 VAL 24 80.623 6.906 10.153 203 3HG2 VAL 24 HG23 VAL 24 81.268 5.750 8.986 204 H LYS 25 HN LYS 25 77.510 7.440 6.966 205 HA LYS 25 HA LYS 25 74.964 5.905 7.265 206 1HB LYS 25 HB2 LYS 25 75.313 8.725 6.205 207 2HB LYS 25 HB1 LYS 25 73.840 7.776 5.999 208 1HG LYS 25 HG2 LYS 25 73.603 7.578 8.436 209 2HG LYS 25 HG1 LYS 25 75.101 8.481 8.667 210 1HD LYS 25 HD2 LYS 25 74.109 10.439 7.554 211 2HD LYS 25 HD1 LYS 25 72.613 9.541 7.292 212 1HE LYS 25 HE2 LYS 25 72.386 9.259 9.756 213 2HE LYS 25 HE1 LYS 25 73.831 10.246 9.978 214 1HZ LYS 25 HZ1 LYS 25 71.550 11.375 10.091 215 2HZ LYS 25 HZ2 LYS 25 71.550 11.245 8.397 216 3HZ LYS 25 HZ3 LYS 25 72.771 12.127 9.185 217 H VAL 26 HN VAL 26 75.911 4.252 5.938 218 HA VAL 26 HA VAL 26 76.147 5.051 3.066 219 HB VAL 26 HB VAL 26 77.892 3.303 2.813 220 1HG1 VAL 26 HG11 VAL 26 78.125 5.802 4.232 221 2HG1 VAL 26 HG12 VAL 26 79.276 5.049 3.128 222 3HG1 VAL 26 HG13 VAL 26 79.320 4.660 4.848 223 1HG2 VAL 26 HG21 VAL 26 78.925 2.596 5.111 224 2HG2 VAL 26 HG22 VAL 26 77.495 1.746 4.526 225 3HG2 VAL 26 HG23 VAL 26 77.334 2.999 5.757 226 H LYS 27 HN LYS 27 75.657 3.217 1.576 227 HA LYS 27 HA LYS 27 73.302 1.766 2.507 228 1HB LYS 27 HB2 LYS 27 74.799 1.756 -0.129 229 2HB LYS 27 HB1 LYS 27 73.316 0.846 0.161 230 1HG LYS 27 HG2 LYS 27 72.101 2.902 0.658 231 2HG LYS 27 HG1 LYS 27 73.582 3.847 0.498 232 1HD LYS 27 HD2 LYS 27 73.766 3.079 -1.873 233 2HD LYS 27 HD1 LYS 27 72.210 2.266 -1.694 234 1HE LYS 27 HE2 LYS 27 72.566 5.212 -1.117 235 2HE LYS 27 HE1 LYS 27 72.138 4.609 -2.718 236 1HZ LYS 27 HZ1 LYS 27 70.422 5.101 -0.626 237 2HZ LYS 27 HZ2 LYS 27 70.529 3.408 -0.713 238 3HZ LYS 27 HZ3 LYS 27 70.054 4.304 -2.076 239 H TYR 28 HN TYR 28 73.119 -0.520 2.688 240 HA TYR 28 HA TYR 28 75.392 -1.884 3.747 241 1HB TYR 28 HB2 TYR 28 73.020 -2.505 4.227 242 2HB TYR 28 HB1 TYR 28 72.874 -3.108 2.577 243 HD1 TYR 28 HD1 TYR 28 74.676 -3.566 5.796 244 HD2 TYR 28 HD2 TYR 28 73.765 -5.233 1.944 245 HE1 TYR 28 HE1 TYR 28 75.662 -5.731 6.499 246 HE2 TYR 28 HE2 TYR 28 74.752 -7.397 2.646 247 HH TYR 28 HH TYR 28 76.587 -8.076 4.456 248 H ALA 29 HN ALA 29 74.002 -1.758 0.502 249 HA ALA 29 HA ALA 29 75.410 -3.899 -0.692 250 1HB ALA 29 HB1 ALA 29 73.986 -1.521 -1.596 251 2HB ALA 29 HB2 ALA 29 74.120 -3.102 -2.367 252 3HB ALA 29 HB3 ALA 29 75.368 -1.884 -2.629 253 H ASP 30 HN ASP 30 76.472 -0.637 0.130 254 HA ASP 30 HA ASP 30 78.916 -0.640 -1.346 255 1HB ASP 30 HB2 ASP 30 78.098 0.748 1.218 256 2HB ASP 30 HB1 ASP 30 79.657 1.022 0.440 257 H LEU 31 HN LEU 31 78.110 -1.835 1.901 258 HA LEU 31 HA LEU 31 80.770 -2.503 2.698 259 1HB LEU 31 HB2 LEU 31 78.034 -3.478 3.478 260 2HB LEU 31 HB1 LEU 31 79.468 -4.296 4.098 261 HG LEU 31 HG LEU 31 78.594 -2.438 5.580 262 1HD1 LEU 31 HD11 LEU 31 81.205 -1.363 4.935 263 2HD1 LEU 31 HD12 LEU 31 81.228 -3.124 4.852 264 3HD1 LEU 31 HD13 LEU 31 80.714 -2.318 6.334 265 1HD2 LEU 31 HD21 LEU 31 79.786 -0.593 3.507 266 2HD2 LEU 31 HD22 LEU 31 78.779 -0.176 4.893 267 3HD2 LEU 31 HD23 LEU 31 78.068 -0.993 3.501 268 H LEU 32 HN LEU 32 78.274 -4.416 1.011 269 HA LEU 32 HA LEU 32 79.814 -6.813 0.795 270 1HB LEU 32 HB2 LEU 32 77.614 -5.688 -0.964 271 2HB LEU 32 HB1 LEU 32 78.280 -7.312 -1.144 272 HG LEU 32 HG LEU 32 77.115 -6.279 1.452 273 1HD1 LEU 32 HD11 LEU 32 75.390 -8.202 0.445 274 2HD1 LEU 32 HD12 LEU 32 75.808 -7.255 -0.982 275 3HD1 LEU 32 HD13 LEU 32 75.105 -6.462 0.428 276 1HD2 LEU 32 HD21 LEU 32 76.895 -8.957 1.541 277 2HD2 LEU 32 HD22 LEU 32 78.356 -8.120 2.069 278 3HD2 LEU 32 HD23 LEU 32 78.283 -8.838 0.459 279 H LYS 33 HN LYS 33 79.541 -3.972 -1.335 280 HA LYS 33 HA LYS 33 81.239 -5.013 -3.407 281 1HB LYS 33 HB2 LYS 33 80.591 -2.164 -2.595 282 2HB LYS 33 HB1 LYS 33 81.483 -2.596 -4.055 283 1HG LYS 33 HG2 LYS 33 79.582 -3.904 -4.867 284 2HG LYS 33 HG1 LYS 33 78.688 -3.562 -3.385 285 1HD LYS 33 HD2 LYS 33 78.739 -1.154 -3.898 286 2HD LYS 33 HD1 LYS 33 79.646 -1.484 -5.375 287 1HE LYS 33 HE2 LYS 33 77.763 -2.882 -6.195 288 2HE LYS 33 HE1 LYS 33 76.852 -2.478 -4.740 289 1HZ LYS 33 HZ1 LYS 33 76.377 -1.081 -6.754 290 2HZ LYS 33 HZ2 LYS 33 77.932 -0.420 -6.576 291 3HZ LYS 33 HZ3 LYS 33 76.776 -0.220 -5.347 292 H PHE 34 HN PHE 34 81.873 -3.353 -0.367 293 HA PHE 34 HA PHE 34 84.580 -2.613 -0.820 294 1HB PHE 34 HB2 PHE 34 83.347 -1.857 1.157 295 2HB PHE 34 HB1 PHE 34 83.235 -3.516 1.745 296 HD1 PHE 34 HD1 PHE 34 85.874 -1.155 0.485 297 HD2 PHE 34 HD2 PHE 34 84.788 -4.166 3.349 298 HE1 PHE 34 HE1 PHE 34 88.090 -0.919 1.573 299 HE2 PHE 34 HE2 PHE 34 87.003 -3.931 4.438 300 HZ PHE 34 HZ PHE 34 88.655 -2.307 3.549 301 H PHE 35 HN PHE 35 83.218 -5.643 0.498 302 HA PHE 35 HA PHE 35 85.726 -6.956 0.881 303 1HB PHE 35 HB2 PHE 35 82.941 -8.023 0.354 304 2HB PHE 35 HB1 PHE 35 84.319 -9.070 0.698 305 HD1 PHE 35 HD1 PHE 35 85.646 -8.651 2.858 306 HD2 PHE 35 HD2 PHE 35 81.766 -6.965 2.108 307 HE1 PHE 35 HE1 PHE 35 85.355 -8.236 5.287 308 HE2 PHE 35 HE2 PHE 35 81.476 -6.553 4.536 309 HZ PHE 35 HZ PHE 35 83.270 -7.189 6.126 310 H ASP 36 HN ASP 36 83.498 -6.887 -1.902 311 HA ASP 36 HA ASP 36 84.968 -8.710 -3.535 312 1HB ASP 36 HB2 ASP 36 83.107 -6.420 -4.208 313 2HB ASP 36 HB1 ASP 36 83.818 -7.458 -5.445 314 H PHE 37 HN PHE 37 85.136 -5.161 -3.233 315 HA PHE 37 HA PHE 37 87.140 -4.769 -5.232 316 1HB PHE 37 HB2 PHE 37 85.810 -2.918 -4.270 317 2HB PHE 37 HB1 PHE 37 86.618 -3.149 -2.720 318 HD1 PHE 37 HD1 PHE 37 88.649 -2.057 -2.267 319 HD2 PHE 37 HD2 PHE 37 87.319 -2.462 -6.331 320 HE1 PHE 37 HE1 PHE 37 90.518 -0.613 -3.023 321 HE2 PHE 37 HE2 PHE 37 89.187 -1.016 -7.087 322 HZ PHE 37 HZ PHE 37 90.786 -0.092 -5.433 323 H VAL 38 HN VAL 38 87.418 -5.219 -1.698 324 HA VAL 38 HA VAL 38 90.259 -5.046 -1.577 325 HB VAL 38 HB VAL 38 88.341 -6.636 0.154 326 1HG1 VAL 38 HG11 VAL 38 90.320 -7.545 0.863 327 2HG1 VAL 38 HG12 VAL 38 90.439 -6.028 1.755 328 3HG1 VAL 38 HG13 VAL 38 91.280 -6.214 0.216 329 1HG2 VAL 38 HG21 VAL 38 87.800 -4.658 1.092 330 2HG2 VAL 38 HG22 VAL 38 88.715 -3.851 -0.182 331 3HG2 VAL 38 HG23 VAL 38 89.503 -4.270 1.339 332 H LYS 39 HN LYS 39 88.132 -7.899 -1.949 333 HA LYS 39 HA LYS 39 90.285 -9.791 -2.150 334 1HB LYS 39 HB2 LYS 39 87.422 -9.870 -3.141 335 2HB LYS 39 HB1 LYS 39 88.523 -11.244 -3.244 336 1HG LYS 39 HG2 LYS 39 88.805 -11.253 -0.820 337 2HG LYS 39 HG1 LYS 39 87.808 -9.805 -0.672 338 1HD LYS 39 HD2 LYS 39 85.887 -11.039 -1.629 339 2HD LYS 39 HD1 LYS 39 86.884 -12.490 -1.740 340 1HE LYS 39 HE2 LYS 39 87.203 -12.477 0.698 341 2HE LYS 39 HE1 LYS 39 86.242 -11.003 0.826 342 1HZ LYS 39 HZ1 LYS 39 85.117 -13.381 -0.496 343 2HZ LYS 39 HZ2 LYS 39 84.313 -12.105 0.288 344 3HZ LYS 39 HZ3 LYS 39 85.126 -13.287 1.197 345 H ASP 40 HN ASP 40 88.656 -7.725 -4.487 346 HA ASP 40 HA ASP 40 89.707 -8.980 -6.850 347 1HB ASP 40 HB2 ASP 40 88.706 -6.180 -6.287 348 2HB ASP 40 HB1 ASP 40 89.227 -6.702 -7.890 349 H THR 41 HN THR 41 91.140 -6.967 -4.444 350 HA THR 41 HA THR 41 93.067 -5.532 -5.921 351 HB THR 41 HB THR 41 93.619 -6.836 -3.246 352 HG1 THR 41 HG1 THR 41 92.302 -4.376 -3.725 353 1HG2 THR 41 HG21 THR 41 94.411 -4.063 -3.676 354 2HG2 THR 41 HG22 THR 41 95.122 -5.146 -4.874 355 3HG2 THR 41 HG23 THR 41 95.385 -5.438 -3.154 356 H CYS 42 HN CYS 42 93.604 -8.682 -4.286 357 HA CYS 42 HA CYS 42 95.852 -9.139 -6.197 358 1HB CYS 42 HB2 CYS 42 95.820 -11.071 -4.088 359 2HB CYS 42 HB1 CYS 42 97.012 -9.806 -4.389 360 HG CYS 42 HG CYS 42 96.007 -8.415 -2.588 361 HA PRO 43 HA PRO 43 93.502 -13.493 -5.648 362 1HB PRO 43 HB2 PRO 43 90.838 -12.202 -5.210 363 2HB PRO 43 HB1 PRO 43 91.467 -13.735 -4.573 364 1HG PRO 43 HG2 PRO 43 91.329 -11.475 -3.103 365 2HG PRO 43 HG1 PRO 43 92.556 -12.727 -2.851 366 1HD PRO 43 HD2 PRO 43 92.944 -9.989 -3.899 367 2HD PRO 43 HD1 PRO 43 94.107 -11.185 -3.287 368 H TRP 44 HN TRP 44 91.697 -10.665 -6.902 369 HA TRP 44 HA TRP 44 91.753 -11.961 -9.590 370 1HB TRP 44 HB2 TRP 44 89.352 -10.550 -8.384 371 2HB TRP 44 HB1 TRP 44 89.439 -11.264 -9.995 372 HD1 TRP 44 HD1 TRP 44 90.406 -14.018 -9.774 373 HE1 TRP 44 HE1 TRP 44 89.345 -15.827 -8.275 374 HE3 TRP 44 HE3 TRP 44 87.941 -11.054 -6.425 375 HZ2 TRP 44 HZ2 TRP 44 87.671 -15.995 -5.960 376 HZ3 TRP 44 HZ3 TRP 44 86.622 -12.064 -4.585 377 HH2 TRP 44 HH2 TRP 44 86.484 -14.528 -4.349 378 H PHE 45 HN PHE 45 90.510 -9.965 -11.031 379 HA PHE 45 HA PHE 45 92.018 -7.478 -10.360 380 1HB PHE 45 HB2 PHE 45 92.653 -9.279 -12.461 381 2HB PHE 45 HB1 PHE 45 91.936 -7.851 -13.210 382 HD1 PHE 45 HD1 PHE 45 94.212 -8.529 -10.296 383 HD2 PHE 45 HD2 PHE 45 93.482 -6.242 -13.857 384 HE1 PHE 45 HE1 PHE 45 96.321 -7.276 -9.924 385 HE2 PHE 45 HE2 PHE 45 95.589 -4.989 -13.486 386 HZ PHE 45 HZ PHE 45 97.010 -5.507 -11.520 387 HA PRO 46 HA PRO 46 88.305 -6.600 -13.436 388 1HB PRO 46 HB2 PRO 46 86.640 -8.994 -12.894 389 2HB PRO 46 HB1 PRO 46 86.995 -8.191 -14.435 390 1HG PRO 46 HG2 PRO 46 88.070 -10.545 -13.818 391 2HG PRO 46 HG1 PRO 46 88.973 -9.319 -14.723 392 1HD PRO 46 HD2 PRO 46 89.225 -10.062 -11.816 393 2HD PRO 46 HD1 PRO 46 90.509 -9.614 -12.959 394 H GLN 47 HN GLN 47 86.600 -5.335 -12.669 395 HA GLN 47 HA GLN 47 85.709 -5.896 -9.869 396 1HB GLN 47 HB2 GLN 47 86.115 -3.245 -11.283 397 2HB GLN 47 HB1 GLN 47 85.378 -3.416 -9.689 398 1HG GLN 47 HG2 GLN 47 87.405 -4.372 -8.781 399 2HG GLN 47 HG1 GLN 47 88.141 -4.448 -10.382 400 1HE2 GLN 47 HE21 GLN 47 89.806 -3.056 -9.008 401 2HE2 GLN 47 HE22 GLN 47 89.578 -1.375 -9.072 402 H GLU 48 HN GLU 48 83.480 -5.489 -9.396 403 HA GLU 48 HA GLU 48 81.732 -4.925 -11.742 404 1HB GLU 48 HB2 GLU 48 81.494 -7.274 -9.844 405 2HB GLU 48 HB1 GLU 48 80.204 -6.767 -10.935 406 1HG GLU 48 HG2 GLU 48 81.681 -7.097 -12.868 407 2HG GLU 48 HG1 GLU 48 83.003 -7.555 -11.795 408 H GLY 49 HN GLY 49 79.605 -4.133 -11.129 409 1HA GLY 49 HA2 GLY 49 78.013 -3.234 -9.589 410 2HA GLY 49 HA1 GLY 49 79.153 -3.528 -8.276 411 H THR 50 HN THR 50 78.058 -1.117 -8.117 412 HA THR 50 HA THR 50 80.083 0.729 -9.325 413 HB THR 50 HB THR 50 77.215 1.345 -8.544 414 HG1 THR 50 HG1 THR 50 77.236 0.186 -10.424 415 1HG2 THR 50 HG21 THR 50 79.478 3.001 -9.658 416 2HG2 THR 50 HG22 THR 50 78.471 3.332 -8.249 417 3HG2 THR 50 HG23 THR 50 77.792 3.474 -9.871 418 H ILE 51 HN ILE 51 81.215 2.000 -7.895 419 HA ILE 51 HA ILE 51 80.779 1.496 -5.021 420 HB ILE 51 HB ILE 51 83.010 2.207 -6.697 421 1HG1 ILE 51 HG12 ILE 51 82.874 0.405 -4.960 422 2HG1 ILE 51 HG11 ILE 51 84.274 1.457 -4.751 423 1HG2 ILE 51 HG21 ILE 51 82.588 4.520 -6.032 424 2HG2 ILE 51 HG22 ILE 51 84.016 3.921 -5.186 425 3HG2 ILE 51 HG23 ILE 51 82.474 4.039 -4.338 426 1HD1 ILE 51 HD11 ILE 51 83.560 2.114 -2.718 427 2HD1 ILE 51 HD12 ILE 51 82.301 0.884 -2.832 428 3HD1 ILE 51 HD13 ILE 51 81.972 2.535 -3.358 429 H ASP 52 HN ASP 52 80.093 3.058 -3.556 430 HA ASP 52 HA ASP 52 78.790 5.436 -4.711 431 1HB ASP 52 HB2 ASP 52 78.874 4.328 -1.891 432 2HB ASP 52 HB1 ASP 52 77.961 5.760 -2.367 433 H ILE 53 HN ILE 53 79.507 7.539 -4.418 434 HA ILE 53 HA ILE 53 82.254 7.999 -3.774 435 HB ILE 53 HB ILE 53 79.893 9.893 -3.945 436 1HG1 ILE 53 HG12 ILE 53 82.226 9.494 -5.839 437 2HG1 ILE 53 HG11 ILE 53 80.695 8.634 -6.010 438 1HG2 ILE 53 HG21 ILE 53 82.083 11.447 -4.354 439 2HG2 ILE 53 HG22 ILE 53 82.721 10.320 -3.157 440 3HG2 ILE 53 HG23 ILE 53 81.290 11.283 -2.786 441 1HD1 ILE 53 HD11 ILE 53 80.701 10.652 -7.414 442 2HD1 ILE 53 HD12 ILE 53 81.042 11.648 -5.999 443 3HD1 ILE 53 HD13 ILE 53 79.501 10.799 -6.131 444 H LYS 54 HN LYS 54 79.274 8.406 -1.870 445 HA LYS 54 HA LYS 54 80.447 9.631 0.411 446 1HB LYS 54 HB2 LYS 54 78.073 7.770 0.134 447 2HB LYS 54 HB1 LYS 54 78.509 8.551 1.656 448 1HG LYS 54 HG2 LYS 54 78.318 10.762 0.586 449 2HG LYS 54 HG1 LYS 54 77.895 9.990 -0.943 450 1HD LYS 54 HD2 LYS 54 75.917 8.955 0.162 451 2HD LYS 54 HD1 LYS 54 76.318 9.828 1.642 452 1HE LYS 54 HE2 LYS 54 75.603 11.047 -1.040 453 2HE LYS 54 HE1 LYS 54 74.634 11.097 0.432 454 1HZ LYS 54 HZ1 LYS 54 77.259 12.388 -0.045 455 2HZ LYS 54 HZ2 LYS 54 76.551 12.259 1.494 456 3HZ LYS 54 HZ3 LYS 54 75.775 13.146 0.271 457 H PHE 55 HN PHE 55 80.164 6.211 -0.506 458 HA PHE 55 HA PHE 55 81.402 5.315 1.996 459 1HB PHE 55 HB2 PHE 55 79.736 3.907 0.818 460 2HB PHE 55 HB1 PHE 55 80.825 3.790 -0.565 461 HD1 PHE 55 HD1 PHE 55 82.569 2.191 -0.610 462 HD2 PHE 55 HD2 PHE 55 80.552 3.051 3.084 463 HE1 PHE 55 HE1 PHE 55 83.739 0.291 0.472 464 HE2 PHE 55 HE2 PHE 55 81.721 1.151 4.165 465 HZ PHE 55 HZ PHE 55 83.315 -0.230 2.860 466 H TRP 56 HN TRP 56 82.477 6.412 -1.088 467 HA TRP 56 HA TRP 56 84.927 4.946 -1.297 468 1HB TRP 56 HB2 TRP 56 84.242 6.144 -3.231 469 2HB TRP 56 HB1 TRP 56 84.043 7.645 -2.326 470 HD1 TRP 56 HD1 TRP 56 87.103 5.364 -2.010 471 HE1 TRP 56 HE1 TRP 56 89.184 6.663 -2.804 472 HE3 TRP 56 HE3 TRP 56 84.873 9.607 -3.771 473 HZ2 TRP 56 HZ2 TRP 56 89.818 9.171 -4.025 474 HZ3 TRP 56 HZ3 TRP 56 86.237 11.433 -4.743 475 HH2 TRP 56 HH2 TRP 56 88.704 11.221 -4.872 476 H ARG 57 HN ARG 57 84.073 7.925 0.426 477 HA ARG 57 HA ARG 57 86.681 8.789 1.106 478 1HB ARG 57 HB2 ARG 57 84.050 9.003 2.587 479 2HB ARG 57 HB1 ARG 57 85.531 9.772 3.162 480 1HG ARG 57 HG2 ARG 57 85.398 11.416 1.616 481 2HG ARG 57 HG1 ARG 57 85.034 10.274 0.322 482 1HD ARG 57 HD2 ARG 57 83.145 11.815 0.675 483 2HD ARG 57 HD1 ARG 57 82.686 10.162 1.085 484 HE ARG 57 HE ARG 57 83.655 11.550 3.419 485 1HH1 ARG 57 HH21 ARG 57 81.006 11.232 1.234 486 2HH1 ARG 57 HH22 ARG 57 79.816 11.714 2.397 487 1HH2 ARG 57 HH11 ARG 57 82.117 12.182 4.949 488 2HH2 ARG 57 HH12 ARG 57 80.445 12.252 4.500 489 H ARG 58 HN ARG 58 84.555 6.448 2.751 490 HA ARG 58 HA ARG 58 86.365 5.956 4.936 491 1HB ARG 58 HB2 ARG 58 84.084 4.361 3.749 492 2HB ARG 58 HB1 ARG 58 85.001 3.804 5.149 493 1HG ARG 58 HG2 ARG 58 83.925 5.227 6.529 494 2HG ARG 58 HG1 ARG 58 84.190 6.587 5.436 495 1HD ARG 58 HD2 ARG 58 82.278 5.889 4.066 496 2HD ARG 58 HD1 ARG 58 82.029 4.486 5.104 497 HE ARG 58 HE ARG 58 81.005 5.908 6.690 498 1HH1 ARG 58 HH21 ARG 58 82.817 7.656 4.335 499 2HH1 ARG 58 HH22 ARG 58 82.261 9.208 4.865 500 1HH2 ARG 58 HH11 ARG 58 80.267 7.924 7.395 501 2HH2 ARG 58 HH12 ARG 58 80.818 9.360 6.598 502 H VAL 59 HN VAL 59 85.953 4.506 1.732 503 HA VAL 59 HA VAL 59 87.721 2.284 2.151 504 HB VAL 59 HB VAL 59 86.823 3.759 -0.333 505 1HG1 VAL 59 HG11 VAL 59 87.790 1.457 -1.325 506 2HG1 VAL 59 HG12 VAL 59 88.902 1.652 0.030 507 3HG1 VAL 59 HG13 VAL 59 88.780 2.910 -1.199 508 1HG2 VAL 59 HG21 VAL 59 85.687 1.502 -0.685 509 2HG2 VAL 59 HG22 VAL 59 85.075 2.454 0.667 510 3HG2 VAL 59 HG23 VAL 59 86.167 1.102 0.965 511 H GLY 60 HN GLY 60 88.253 5.564 0.862 512 1HA GLY 60 HA2 GLY 60 90.995 5.247 0.187 513 2HA GLY 60 HA1 GLY 60 90.240 6.785 0.608 514 H ASP 61 HN ASP 61 89.483 6.312 3.244 515 HA ASP 61 HA ASP 61 91.981 6.682 4.630 516 1HB ASP 61 HB2 ASP 61 89.110 6.372 5.463 517 2HB ASP 61 HB1 ASP 61 90.381 6.311 6.686 518 H CYS 62 HN CYS 62 89.783 3.925 4.256 519 HA CYS 62 HA CYS 62 91.064 2.220 6.168 520 1HB CYS 62 HB2 CYS 62 89.504 1.537 3.658 521 2HB CYS 62 HB1 CYS 62 89.960 0.371 4.900 522 HG CYS 62 HG CYS 62 88.033 2.778 5.455 523 H PHE 63 HN PHE 63 91.424 2.393 2.605 524 HA PHE 63 HA PHE 63 93.554 0.494 2.464 525 1HB PHE 63 HB2 PHE 63 92.417 2.581 0.674 526 2HB PHE 63 HB1 PHE 63 94.060 2.048 0.317 527 HD1 PHE 63 HD1 PHE 63 90.996 0.302 1.608 528 HD2 PHE 63 HD2 PHE 63 94.062 0.468 -1.396 529 HE1 PHE 63 HE1 PHE 63 90.101 -1.770 0.581 530 HE2 PHE 63 HE2 PHE 63 93.166 -1.604 -2.423 531 HZ PHE 63 HZ PHE 63 91.186 -2.723 -1.435 532 H GLN 64 HN GLN 64 93.569 4.042 2.783 533 HA GLN 64 HA GLN 64 96.376 4.426 2.618 534 1HB GLN 64 HB2 GLN 64 94.783 6.300 2.612 535 2HB GLN 64 HB1 GLN 64 94.343 5.943 4.283 536 1HG GLN 64 HG2 GLN 64 96.595 6.441 5.042 537 2HG GLN 64 HG1 GLN 64 97.152 6.637 3.379 538 1HE2 GLN 64 HE21 GLN 64 97.470 8.795 5.160 539 2HE2 GLN 64 HE22 GLN 64 96.396 10.039 4.739 540 H ASP 65 HN ASP 65 94.317 3.541 5.374 541 HA ASP 65 HA ASP 65 96.337 3.725 7.386 542 1HB ASP 65 HB2 ASP 65 93.838 2.034 7.158 543 2HB ASP 65 HB1 ASP 65 94.868 2.014 8.589 544 H TYR 66 HN TYR 66 95.315 1.006 5.317 545 HA TYR 66 HA TYR 66 97.204 -0.863 6.442 546 1HB TYR 66 HB2 TYR 66 95.715 -0.806 3.804 547 2HB TYR 66 HB1 TYR 66 96.740 -2.150 4.309 548 HD1 TYR 66 HD1 TYR 66 93.450 -0.908 4.333 549 HD2 TYR 66 HD2 TYR 66 96.272 -3.002 6.803 550 HE1 TYR 66 HE1 TYR 66 91.585 -1.822 5.688 551 HE2 TYR 66 HE2 TYR 66 94.407 -3.916 8.160 552 HH TYR 66 HH TYR 66 91.018 -3.266 7.295 553 H TYR 67 HN TYR 67 97.344 1.496 3.826 554 HA TYR 67 HA TYR 67 99.754 0.547 2.602 555 1HB TYR 67 HB2 TYR 67 98.513 2.136 1.357 556 2HB TYR 67 HB1 TYR 67 98.409 3.249 2.721 557 HD1 TYR 67 HD1 TYR 67 99.878 5.057 2.787 558 HD2 TYR 67 HD2 TYR 67 101.000 1.519 0.624 559 HE1 TYR 67 HE1 TYR 67 101.959 6.177 2.034 560 HE2 TYR 67 HE2 TYR 67 103.080 2.640 -0.129 561 HH TYR 67 HH TYR 67 103.567 5.930 0.061 562 H ASN 68 HN ASN 68 99.267 3.198 4.971 563 HA ASN 68 HA ASN 68 102.106 3.556 5.384 564 1HB ASN 68 HB2 ASN 68 99.645 4.464 6.887 565 2HB ASN 68 HB1 ASN 68 101.273 4.826 7.464 566 1HD2 ASN 68 HD21 ASN 68 99.675 6.993 6.735 567 2HD2 ASN 68 HD22 ASN 68 100.228 7.657 5.274 568 H THR 69 HN THR 69 99.586 1.669 6.993 569 HA THR 69 HA THR 69 101.105 0.986 9.326 570 HB THR 69 HB THR 69 98.882 -0.543 7.937 571 HG1 THR 69 HG1 THR 69 97.599 0.763 8.964 572 1HG2 THR 69 HG21 THR 69 99.975 -2.078 9.387 573 2HG2 THR 69 HG22 THR 69 98.597 -1.473 10.307 574 3HG2 THR 69 HG23 THR 69 100.215 -0.849 10.629 575 H PHE 70 HN PHE 70 100.648 -0.701 6.209 576 HA PHE 70 HA PHE 70 102.925 -2.484 6.975 577 1HB PHE 70 HB2 PHE 70 100.611 -2.928 5.066 578 2HB PHE 70 HB1 PHE 70 101.983 -4.025 5.215 579 HD1 PHE 70 HD1 PHE 70 102.444 -5.156 7.410 580 HD2 PHE 70 HD2 PHE 70 98.863 -2.893 6.699 581 HE1 PHE 70 HE1 PHE 70 101.374 -6.232 9.372 582 HE2 PHE 70 HE2 PHE 70 97.793 -3.969 8.661 583 HZ PHE 70 HZ PHE 70 99.048 -5.638 9.997 584 H GLY 71 HN GLY 71 101.431 -0.899 4.133 585 1HA GLY 71 HA2 GLY 71 103.293 0.581 2.992 586 2HA GLY 71 HA1 GLY 71 104.078 -0.986 2.781 587 HA PRO 72 HA PRO 72 101.282 -0.196 -0.865 588 1HB PRO 72 HB2 PRO 72 103.215 -0.828 -2.743 589 2HB PRO 72 HB1 PRO 72 102.875 0.811 -2.165 590 1HG PRO 72 HG2 PRO 72 105.103 -1.002 -1.495 591 2HG PRO 72 HG1 PRO 72 105.044 0.768 -1.509 592 1HD PRO 72 HD2 PRO 72 104.956 -0.813 0.767 593 2HD PRO 72 HD1 PRO 72 104.410 0.878 0.685 594 H GLU 73 HN GLU 73 103.278 -2.813 0.228 595 HA GLU 73 HA GLU 73 102.645 -4.814 -1.681 596 1HB GLU 73 HB2 GLU 73 103.150 -5.011 1.301 597 2HB GLU 73 HB1 GLU 73 103.005 -6.416 0.245 598 1HG GLU 73 HG2 GLU 73 104.893 -5.642 -1.101 599 2HG GLU 73 HG1 GLU 73 105.009 -4.172 -0.132 600 H LYS 74 HN LYS 74 100.971 -4.015 1.382 601 HA LYS 74 HA LYS 74 98.806 -5.851 0.961 602 1HB LYS 74 HB2 LYS 74 98.889 -3.285 2.581 603 2HB LYS 74 HB1 LYS 74 97.640 -4.524 2.702 604 1HG LYS 74 HG2 LYS 74 100.593 -4.999 3.204 605 2HG LYS 74 HG1 LYS 74 99.383 -4.766 4.467 606 1HD LYS 74 HD2 LYS 74 98.126 -6.715 3.225 607 2HD LYS 74 HD1 LYS 74 99.728 -7.078 2.584 608 1HE LYS 74 HE2 LYS 74 100.588 -7.055 4.960 609 2HE LYS 74 HE1 LYS 74 98.911 -6.942 5.497 610 1HZ LYS 74 HZ1 LYS 74 99.014 -9.165 5.439 611 2HZ LYS 74 HZ2 LYS 74 100.352 -9.194 4.393 612 3HZ LYS 74 HZ3 LYS 74 98.787 -8.979 3.769 613 H VAL 75 HN VAL 75 99.274 -2.439 0.113 614 HA VAL 75 HA VAL 75 97.068 -2.700 -1.847 615 HB VAL 75 HB VAL 75 96.286 -0.357 -1.039 616 1HG1 VAL 75 HG11 VAL 75 95.805 -2.816 0.673 617 2HG1 VAL 75 HG12 VAL 75 94.958 -2.431 -0.825 618 3HG1 VAL 75 HG13 VAL 75 94.757 -1.401 0.592 619 1HG2 VAL 75 HG21 VAL 75 97.349 -1.318 1.609 620 2HG2 VAL 75 HG22 VAL 75 96.829 0.303 1.145 621 3HG2 VAL 75 HG23 VAL 75 98.366 -0.332 0.557 622 HA PRO 76 HA PRO 76 100.904 -0.668 -3.498 623 1HB PRO 76 HB2 PRO 76 99.657 -1.778 -5.961 624 2HB PRO 76 HB1 PRO 76 101.337 -1.880 -5.402 625 1HG PRO 76 HG2 PRO 76 99.718 -3.980 -5.274 626 2HG PRO 76 HG1 PRO 76 100.910 -3.654 -4.006 627 1HD PRO 76 HD2 PRO 76 97.954 -3.226 -3.982 628 2HD PRO 76 HD1 PRO 76 99.035 -3.741 -2.670 629 H VAL 77 HN VAL 77 101.075 1.115 -5.079 630 HA VAL 77 HA VAL 77 98.995 3.025 -4.905 631 HB VAL 77 HB VAL 77 100.192 4.201 -6.753 632 1HG1 VAL 77 HG11 VAL 77 101.303 3.294 -4.228 633 2HG1 VAL 77 HG12 VAL 77 101.442 4.873 -5.000 634 3HG1 VAL 77 HG13 VAL 77 102.580 3.588 -5.409 635 1HG2 VAL 77 HG21 VAL 77 102.283 3.095 -7.607 636 2HG2 VAL 77 HG22 VAL 77 100.800 2.295 -8.130 637 3HG2 VAL 77 HG23 VAL 77 101.760 1.605 -6.821 638 H THR 78 HN THR 78 98.987 0.167 -6.634 639 HA THR 78 HA THR 78 97.716 0.934 -9.082 640 HB THR 78 HB THR 78 97.016 -1.408 -9.230 641 HG1 THR 78 HG1 THR 78 96.353 -1.652 -7.073 642 1HG2 THR 78 HG21 THR 78 99.198 -1.557 -9.832 643 2HG2 THR 78 HG22 THR 78 99.413 -2.325 -8.260 644 3HG2 THR 78 HG23 THR 78 99.739 -0.602 -8.452 645 H ALA 79 HN ALA 79 96.482 0.349 -5.829 646 HA ALA 79 HA ALA 79 93.710 0.188 -6.454 647 1HB ALA 79 HB1 ALA 79 94.788 1.551 -3.983 648 2HB ALA 79 HB2 ALA 79 94.889 -0.198 -4.189 649 3HB ALA 79 HB3 ALA 79 93.314 0.596 -4.151 650 H PHE 80 HN PHE 80 95.802 2.999 -5.834 651 HA PHE 80 HA PHE 80 93.714 4.961 -5.951 652 1HB PHE 80 HB2 PHE 80 96.686 5.139 -6.515 653 2HB PHE 80 HB1 PHE 80 95.618 6.543 -6.483 654 HD1 PHE 80 HD1 PHE 80 94.939 7.524 -4.432 655 HD2 PHE 80 HD2 PHE 80 96.851 3.677 -4.441 656 HE1 PHE 80 HE1 PHE 80 95.117 7.607 -1.960 657 HE2 PHE 80 HE2 PHE 80 97.029 3.760 -1.968 658 HZ PHE 80 HZ PHE 80 96.162 5.725 -0.728 659 H SER 81 HN SER 81 95.958 3.733 -8.446 660 HA SER 81 HA SER 81 95.008 5.348 -10.584 661 1HB SER 81 HB2 SER 81 96.168 2.547 -10.617 662 2HB SER 81 HB1 SER 81 95.914 3.531 -12.057 663 HG SER 81 HG SER 81 97.809 3.734 -10.051 664 H TYR 82 HN TYR 82 93.998 2.072 -9.561 665 HA TYR 82 HA TYR 82 91.961 1.763 -11.541 666 1HB TYR 82 HB2 TYR 82 92.640 0.481 -8.942 667 2HB TYR 82 HB1 TYR 82 90.985 0.275 -9.514 668 HD1 TYR 82 HD1 TYR 82 94.165 -1.147 -9.604 669 HD2 TYR 82 HD2 TYR 82 90.869 -0.194 -12.188 670 HE1 TYR 82 HE1 TYR 82 94.932 -2.869 -11.217 671 HE2 TYR 82 HE2 TYR 82 91.635 -1.915 -13.801 672 HH TYR 82 HH TYR 82 93.624 -3.116 -14.397 673 H TRP 83 HN TRP 83 91.893 3.164 -8.274 674 HA TRP 83 HA TRP 83 89.051 3.598 -8.208 675 1HB TRP 83 HB2 TRP 83 90.944 3.777 -6.331 676 2HB TRP 83 HB1 TRP 83 90.894 5.478 -6.793 677 HD1 TRP 83 HD1 TRP 83 88.705 6.844 -6.273 678 HE1 TRP 83 HE1 TRP 83 86.662 6.368 -4.775 679 HE3 TRP 83 HE3 TRP 83 89.377 1.852 -5.426 680 HZ2 TRP 83 HZ2 TRP 83 85.470 4.162 -3.400 681 HZ3 TRP 83 HZ3 TRP 83 87.773 0.590 -4.019 682 HH2 TRP 83 HH2 TRP 83 85.823 1.737 -3.006 683 H ASN 84 HN ASN 84 91.774 5.515 -9.401 684 HA ASN 84 HA ASN 84 90.442 7.972 -9.836 685 1HB ASN 84 HB2 ASN 84 92.681 6.600 -11.337 686 2HB ASN 84 HB1 ASN 84 92.108 8.212 -11.771 687 1HD2 ASN 84 HD21 ASN 84 94.778 7.610 -10.697 688 2HD2 ASN 84 HD22 ASN 84 94.906 8.426 -9.214 689 H LEU 85 HN LEU 85 90.681 5.109 -11.950 690 HA LEU 85 HA LEU 85 89.140 6.179 -14.106 691 1HB LEU 85 HB2 LEU 85 89.562 3.329 -13.166 692 2HB LEU 85 HB1 LEU 85 88.730 3.748 -14.664 693 HG LEU 85 HG LEU 85 91.547 4.630 -13.981 694 1HD1 LEU 85 HD11 LEU 85 92.051 2.960 -15.904 695 2HD1 LEU 85 HD12 LEU 85 90.468 2.277 -15.529 696 3HD1 LEU 85 HD13 LEU 85 91.733 2.300 -14.300 697 1HD2 LEU 85 HD21 LEU 85 90.911 6.145 -15.589 698 2HD2 LEU 85 HD22 LEU 85 89.640 5.097 -16.220 699 3HD2 LEU 85 HD23 LEU 85 91.322 4.808 -16.664 700 H ILE 86 HN ILE 86 88.200 4.416 -11.166 701 HA ILE 86 HA ILE 86 85.417 4.176 -11.841 702 HB ILE 86 HB ILE 86 86.961 4.111 -9.251 703 1HG1 ILE 86 HG12 ILE 86 86.713 2.213 -11.087 704 2HG1 ILE 86 HG11 ILE 86 86.630 1.811 -9.371 705 1HG2 ILE 86 HG21 ILE 86 83.978 4.189 -9.679 706 2HG2 ILE 86 HG22 ILE 86 84.944 5.055 -8.483 707 3HG2 ILE 86 HG23 ILE 86 84.669 3.321 -8.308 708 1HD1 ILE 86 HD11 ILE 86 84.768 0.887 -10.924 709 2HD1 ILE 86 HD12 ILE 86 84.143 2.535 -10.913 710 3HD1 ILE 86 HD13 ILE 86 84.279 1.634 -9.403 711 H LYS 87 HN LYS 87 87.253 6.629 -10.023 712 HA LYS 87 HA LYS 87 85.064 8.228 -9.203 713 1HB LYS 87 HB2 LYS 87 87.402 8.564 -8.429 714 2HB LYS 87 HB1 LYS 87 87.829 9.165 -10.031 715 1HG LYS 87 HG2 LYS 87 86.176 10.983 -9.794 716 2HG LYS 87 HG1 LYS 87 85.751 10.386 -8.190 717 1HD LYS 87 HD2 LYS 87 88.071 10.754 -7.433 718 2HD LYS 87 HD1 LYS 87 88.497 11.357 -9.036 719 1HE LYS 87 HE2 LYS 87 86.843 13.173 -8.794 720 2HE LYS 87 HE1 LYS 87 86.418 12.573 -7.191 721 1HZ LYS 87 HZ1 LYS 87 88.364 13.290 -6.300 722 2HZ LYS 87 HZ2 LYS 87 88.207 14.450 -7.531 723 3HZ LYS 87 HZ3 LYS 87 89.238 13.116 -7.742 724 H GLU 88 HN GLU 88 86.937 8.294 -12.236 725 HA GLU 88 HA GLU 88 85.491 10.529 -13.353 726 1HB GLU 88 HB2 GLU 88 87.141 8.334 -14.635 727 2HB GLU 88 HB1 GLU 88 86.466 9.694 -15.531 728 1HG GLU 88 HG2 GLU 88 87.694 11.270 -14.094 729 2HG GLU 88 HG1 GLU 88 88.356 9.920 -13.170 730 H LEU 89 HN LEU 89 85.038 7.025 -13.412 731 HA LEU 89 HA LEU 89 83.028 6.980 -15.460 732 1HB LEU 89 HB2 LEU 89 84.215 4.947 -14.694 733 2HB LEU 89 HB1 LEU 89 83.423 5.084 -13.123 734 HG LEU 89 HG LEU 89 81.214 4.893 -14.237 735 1HD1 LEU 89 HD11 LEU 89 81.336 5.600 -16.419 736 2HD1 LEU 89 HD12 LEU 89 81.597 3.879 -16.706 737 3HD1 LEU 89 HD13 LEU 89 82.973 4.979 -16.637 738 1HD2 LEU 89 HD21 LEU 89 81.375 2.655 -13.982 739 2HD2 LEU 89 HD22 LEU 89 83.115 2.875 -13.800 740 3HD2 LEU 89 HD23 LEU 89 82.433 2.514 -15.386 741 H ILE 90 HN ILE 90 82.790 7.093 -11.896 742 HA ILE 90 HA ILE 90 79.890 7.254 -11.942 743 HB ILE 90 HB ILE 90 80.106 7.717 -9.534 744 1HG1 ILE 90 HG12 ILE 90 83.021 8.062 -10.277 745 2HG1 ILE 90 HG11 ILE 90 81.969 9.212 -9.449 746 1HG2 ILE 90 HG21 ILE 90 80.592 5.391 -10.674 747 2HG2 ILE 90 HG22 ILE 90 80.910 5.608 -8.953 748 3HG2 ILE 90 HG23 ILE 90 82.238 5.683 -10.112 749 1HD1 ILE 90 HD11 ILE 90 81.744 7.234 -7.695 750 2HD1 ILE 90 HD12 ILE 90 83.120 8.337 -7.637 751 3HD1 ILE 90 HD13 ILE 90 83.293 6.747 -8.382 752 H ASP 91 HN ASP 91 82.540 9.601 -11.644 753 HA ASP 91 HA ASP 91 80.964 11.889 -11.043 754 1HB ASP 91 HB2 ASP 91 83.627 11.469 -12.372 755 2HB ASP 91 HB1 ASP 91 82.908 13.078 -12.353 756 H LYS 92 HN LYS 92 81.973 10.561 -14.202 757 HA LYS 92 HA LYS 92 80.643 12.555 -15.775 758 1HB LYS 92 HB2 LYS 92 81.440 9.698 -16.389 759 2HB LYS 92 HB1 LYS 92 80.771 10.797 -17.595 760 1HG LYS 92 HG2 LYS 92 82.611 12.375 -17.211 761 2HG LYS 92 HG1 LYS 92 83.272 11.320 -15.961 762 1HD LYS 92 HD2 LYS 92 83.577 9.528 -17.631 763 2HD LYS 92 HD1 LYS 92 82.929 10.588 -18.883 764 1HE LYS 92 HE2 LYS 92 84.761 12.187 -18.493 765 2HE LYS 92 HE1 LYS 92 85.406 11.145 -17.225 766 1HZ LYS 92 HZ1 LYS 92 84.988 9.634 -19.563 767 2HZ LYS 92 HZ2 LYS 92 86.445 9.945 -18.744 768 3HZ LYS 92 HZ3 LYS 92 85.903 11.007 -19.954 769 H LYS 93 HN LYS 93 79.596 9.375 -14.564 770 HA LYS 93 HA LYS 93 77.012 9.468 -15.849 771 1HB LYS 93 HB2 LYS 93 78.082 7.370 -15.006 772 2HB LYS 93 HB1 LYS 93 77.823 7.940 -13.356 773 1HG LYS 93 HG2 LYS 93 75.404 8.008 -13.727 774 2HG LYS 93 HG1 LYS 93 75.629 7.516 -15.407 775 1HD LYS 93 HD2 LYS 93 76.661 5.399 -14.637 776 2HD LYS 93 HD1 LYS 93 76.386 5.885 -12.965 777 1HE LYS 93 HE2 LYS 93 74.525 4.520 -13.448 778 2HE LYS 93 HE1 LYS 93 73.904 6.154 -13.675 779 1HZ LYS 93 HZ1 LYS 93 75.000 4.481 -15.867 780 2HZ LYS 93 HZ2 LYS 93 74.195 5.970 -16.016 781 3HZ LYS 93 HZ3 LYS 93 73.348 4.591 -15.499 782 H GLU 94 HN GLU 94 75.334 10.764 -15.294 783 HA GLU 94 HA GLU 94 75.446 12.298 -12.791 784 1HB GLU 94 HB2 GLU 94 73.495 12.255 -15.109 785 2HB GLU 94 HB1 GLU 94 73.293 13.289 -13.694 786 1HG GLU 94 HG2 GLU 94 75.454 14.354 -14.125 787 2HG GLU 94 HG1 GLU 94 75.731 13.280 -15.497 788 H VAL 95 HN VAL 95 74.940 11.015 -11.034 789 HA VAL 95 HA VAL 95 72.229 9.773 -11.061 790 HB VAL 95 HB VAL 95 73.921 7.990 -11.414 791 1HG1 VAL 95 HG11 VAL 95 75.870 7.973 -10.282 792 2HG1 VAL 95 HG12 VAL 95 75.031 8.051 -8.733 793 3HG1 VAL 95 HG13 VAL 95 75.416 9.536 -9.604 794 1HG2 VAL 95 HG21 VAL 95 72.905 7.799 -8.576 795 2HG2 VAL 95 HG22 VAL 95 73.046 6.517 -9.778 796 3HG2 VAL 95 HG23 VAL 95 71.797 7.751 -9.948 797 H ASN 96 HN ASN 96 71.298 9.580 -8.896 798 HA ASN 96 HA ASN 96 72.659 11.302 -6.865 799 1HB ASN 96 HB2 ASN 96 70.852 12.596 -7.877 800 2HB ASN 96 HB1 ASN 96 69.717 11.274 -7.603 801 1HD2 ASN 96 HD21 ASN 96 68.853 13.513 -6.417 802 2HD2 ASN 96 HD22 ASN 96 69.181 13.541 -4.752 803 HA PRO 97 HA PRO 97 71.821 7.040 -5.188 804 1HB PRO 97 HB2 PRO 97 74.031 8.013 -3.439 805 2HB PRO 97 HB1 PRO 97 73.840 6.447 -4.253 806 1HG PRO 97 HG2 PRO 97 75.564 8.252 -5.149 807 2HG PRO 97 HG1 PRO 97 74.627 7.242 -6.262 808 1HD PRO 97 HD2 PRO 97 74.239 10.125 -5.555 809 2HD PRO 97 HD1 PRO 97 73.981 9.303 -7.108 810 H GLN 98 HN GLN 98 72.508 10.027 -3.344 811 HA GLN 98 HA GLN 98 70.124 9.446 -1.673 812 1HB GLN 98 HB2 GLN 98 72.928 9.907 -0.626 813 2HB GLN 98 HB1 GLN 98 71.488 10.112 0.373 814 1HG GLN 98 HG2 GLN 98 70.833 7.780 -0.074 815 2HG GLN 98 HG1 GLN 98 72.261 7.569 -1.088 816 1HE2 GLN 98 HE21 GLN 98 72.467 5.786 0.789 817 2HE2 GLN 98 HE22 GLN 98 73.398 6.267 2.125 818 H VAL 99 HN VAL 99 72.821 11.799 -1.561 819 HA VAL 99 HA VAL 99 70.810 13.945 -2.096 820 HB VAL 99 HB VAL 99 73.109 14.091 -0.122 821 1HG1 VAL 99 HG11 VAL 99 71.873 16.226 0.521 822 2HG1 VAL 99 HG12 VAL 99 70.949 16.036 -0.969 823 3HG1 VAL 99 HG13 VAL 99 72.696 16.266 -1.038 824 1HG2 VAL 99 HG21 VAL 99 70.961 14.423 1.412 825 2HG2 VAL 99 HG22 VAL 99 71.555 12.806 1.031 826 3HG2 VAL 99 HG23 VAL 99 70.187 13.476 0.141 827 H MET 100 HN MET 100 71.402 14.510 -4.167 828 HA MET 100 HA MET 100 72.783 15.185 -5.950 829 1HB MET 100 HB2 MET 100 74.220 16.490 -3.618 830 2HB MET 100 HB1 MET 100 74.445 16.914 -5.315 831 1HG MET 100 HG2 MET 100 71.791 17.044 -3.855 832 2HG MET 100 HG1 MET 100 72.840 18.432 -4.144 833 1HE MET 100 HE1 MET 100 73.730 19.106 -6.065 834 2HE MET 100 HE2 MET 100 72.719 19.468 -7.462 835 3HE MET 100 HE3 MET 100 73.781 18.063 -7.493 Start of MODEL 17 1 1H MET 1 HT1 MET 1 71.016 -5.506 -0.008 2 2H MET 1 HT2 MET 1 70.750 -6.102 -1.577 3 3H MET 1 HT3 MET 1 72.322 -5.705 -1.070 4 HA MET 1 HA MET 1 72.625 -7.623 0.030 5 1HB MET 1 HB2 MET 1 69.664 -7.460 0.657 6 2HB MET 1 HB1 MET 1 70.709 -8.777 1.193 7 1HG MET 1 HG2 MET 1 72.135 -7.190 2.399 8 2HG MET 1 HG1 MET 1 71.151 -5.844 1.824 9 1HE MET 1 HE1 MET 1 70.075 -5.743 5.458 10 2HE MET 1 HE2 MET 1 70.470 -4.825 4.008 11 3HE MET 1 HE3 MET 1 71.673 -5.902 4.714 12 H GLY 2 HN GLY 2 69.707 -9.197 -0.386 13 1HA GLY 2 HA2 GLY 2 68.803 -10.485 -2.171 14 2HA GLY 2 HA1 GLY 2 70.041 -9.821 -3.238 15 H GLN 3 HN GLN 3 71.432 -10.892 -0.366 16 HA GLN 3 HA GLN 3 72.010 -13.578 -1.546 17 1HB GLN 3 HB2 GLN 3 73.891 -11.895 -1.845 18 2HB GLN 3 HB1 GLN 3 74.040 -11.868 -0.088 19 1HG GLN 3 HG2 GLN 3 74.429 -14.306 -0.080 20 2HG GLN 3 HG1 GLN 3 74.289 -14.333 -1.838 21 1HE2 GLN 3 HE21 GLN 3 76.703 -15.185 -0.627 22 2HE2 GLN 3 HE22 GLN 3 77.921 -14.050 -0.960 23 H GLU 4 HN GLU 4 72.667 -15.187 0.089 24 HA GLU 4 HA GLU 4 71.022 -15.108 2.433 25 1HB GLU 4 HB2 GLU 4 73.368 -16.874 1.684 26 2HB GLU 4 HB1 GLU 4 72.364 -17.138 3.110 27 1HG GLU 4 HG2 GLU 4 70.372 -17.361 1.701 28 2HG GLU 4 HG1 GLU 4 71.334 -17.025 0.260 29 H LEU 5 HN LEU 5 71.597 -14.754 4.616 30 HA LEU 5 HA LEU 5 73.995 -13.055 4.974 31 1HB LEU 5 HB2 LEU 5 71.588 -13.646 6.711 32 2HB LEU 5 HB1 LEU 5 72.968 -12.709 7.286 33 HG LEU 5 HG LEU 5 71.422 -12.027 4.772 34 1HD1 LEU 5 HD11 LEU 5 70.937 -11.391 7.640 35 2HD1 LEU 5 HD12 LEU 5 69.790 -11.512 6.305 36 3HD1 LEU 5 HD13 LEU 5 70.773 -10.059 6.496 37 1HD2 LEU 5 HD21 LEU 5 73.780 -10.954 6.204 38 2HD2 LEU 5 HD22 LEU 5 72.598 -9.743 5.707 39 3HD2 LEU 5 HD23 LEU 5 73.331 -10.805 4.504 40 H SER 6 HN SER 6 75.784 -14.364 5.221 41 HA SER 6 HA SER 6 75.631 -16.809 6.847 42 1HB SER 6 HB2 SER 6 77.792 -17.283 6.066 43 2HB SER 6 HB1 SER 6 77.089 -16.389 4.721 44 HG SER 6 HG SER 6 79.212 -15.780 6.247 45 H GLN 7 HN GLN 7 77.467 -17.071 8.548 46 HA GLN 7 HA GLN 7 77.042 -15.238 10.664 47 1HB GLN 7 HB2 GLN 7 77.930 -17.546 10.961 48 2HB GLN 7 HB1 GLN 7 79.457 -17.027 10.246 49 1HG GLN 7 HG2 GLN 7 79.785 -15.398 12.037 50 2HG GLN 7 HG1 GLN 7 78.214 -15.804 12.728 51 1HE2 GLN 7 HE21 GLN 7 80.678 -16.115 14.205 52 2HE2 GLN 7 HE22 GLN 7 80.912 -17.773 14.485 53 H HIS 8 HN HIS 8 79.667 -15.404 8.267 54 HA HIS 8 HA HIS 8 81.202 -13.241 9.368 55 1HB HIS 8 HB2 HIS 8 82.116 -14.857 7.723 56 2HB HIS 8 HB1 HIS 8 81.040 -14.194 6.492 57 HD2 HIS 8 HD2 HIS 8 82.082 -11.985 5.176 58 HE1 HIS 8 HE1 HIS 8 85.225 -11.138 7.867 59 HE2 HIS 8 HE2 HIS 8 84.171 -10.496 5.650 60 H GLU 9 HN GLU 9 78.654 -13.364 6.881 61 HA GLU 9 HA GLU 9 78.789 -10.568 6.220 62 1HB GLU 9 HB2 GLU 9 76.560 -12.604 5.952 63 2HB GLU 9 HB1 GLU 9 76.462 -10.964 5.312 64 1HG GLU 9 HG2 GLU 9 78.459 -11.363 3.935 65 2HG GLU 9 HG1 GLU 9 78.598 -12.994 4.593 66 H ARG 10 HN ARG 10 76.922 -12.415 8.606 67 HA ARG 10 HA ARG 10 75.312 -10.183 9.475 68 1HB ARG 10 HB2 ARG 10 76.071 -12.789 10.824 69 2HB ARG 10 HB1 ARG 10 74.931 -11.631 11.511 70 1HG ARG 10 HG2 ARG 10 73.531 -11.814 9.477 71 2HG ARG 10 HG1 ARG 10 74.658 -13.001 8.819 72 1HD ARG 10 HD2 ARG 10 74.222 -14.484 10.744 73 2HD ARG 10 HD1 ARG 10 73.087 -13.301 11.396 74 HE ARG 10 HE ARG 10 72.402 -14.070 8.683 75 1HH1 ARG 10 HH21 ARG 10 72.297 -14.947 12.016 76 2HH1 ARG 10 HH22 ARG 10 70.878 -15.926 11.850 77 1HH2 ARG 10 HH11 ARG 10 70.550 -15.343 8.448 78 2HH2 ARG 10 HH12 ARG 10 69.889 -16.152 9.830 79 H TYR 11 HN TYR 11 78.465 -11.464 10.436 80 HA TYR 11 HA TYR 11 78.773 -9.970 12.845 81 1HB TYR 11 HB2 TYR 11 80.314 -11.773 12.286 82 2HB TYR 11 HB1 TYR 11 80.852 -10.908 10.845 83 HD1 TYR 11 HD1 TYR 11 82.581 -9.300 10.967 84 HD2 TYR 11 HD2 TYR 11 80.678 -10.668 14.568 85 HE1 TYR 11 HE1 TYR 11 84.273 -8.094 12.320 86 HE2 TYR 11 HE2 TYR 11 82.371 -9.461 15.921 87 HH TYR 11 HH TYR 11 84.179 -8.186 15.888 88 H VAL 12 HN VAL 12 79.784 -9.187 9.500 89 HA VAL 12 HA VAL 12 80.776 -6.569 10.183 90 HB VAL 12 HB VAL 12 80.608 -6.157 7.708 91 1HG1 VAL 12 HG11 VAL 12 81.797 -8.857 8.409 92 2HG1 VAL 12 HG12 VAL 12 82.558 -7.316 8.807 93 3HG1 VAL 12 HG13 VAL 12 82.316 -7.770 7.120 94 1HG2 VAL 12 HG21 VAL 12 78.566 -7.521 7.343 95 2HG2 VAL 12 HG22 VAL 12 79.487 -8.979 7.713 96 3HG2 VAL 12 HG23 VAL 12 79.881 -8.026 6.282 97 H GLU 13 HN GLU 13 77.617 -7.823 9.257 98 HA GLU 13 HA GLU 13 76.328 -5.360 8.669 99 1HB GLU 13 HB2 GLU 13 75.334 -7.630 8.301 100 2HB GLU 13 HB1 GLU 13 75.105 -7.770 10.044 101 1HG GLU 13 HG2 GLU 13 73.655 -5.805 10.049 102 2HG GLU 13 HG1 GLU 13 73.946 -5.555 8.328 103 H GLN 14 HN GLN 14 76.704 -7.080 11.783 104 HA GLN 14 HA GLN 14 75.286 -5.159 13.354 105 1HB GLN 14 HB2 GLN 14 75.947 -7.431 14.160 106 2HB GLN 14 HB1 GLN 14 77.627 -6.893 14.206 107 1HG GLN 14 HG2 GLN 14 77.025 -5.126 15.816 108 2HG GLN 14 HG1 GLN 14 75.342 -5.651 15.767 109 1HE2 GLN 14 HE21 GLN 14 76.781 -5.698 18.224 110 2HE2 GLN 14 HE22 GLN 14 77.029 -7.313 18.682 111 H LEU 15 HN LEU 15 78.669 -5.364 12.315 112 HA LEU 15 HA LEU 15 79.666 -3.205 13.887 113 1HB LEU 15 HB2 LEU 15 81.169 -4.718 12.678 114 2HB LEU 15 HB1 LEU 15 80.524 -4.154 11.136 115 HG LEU 15 HG LEU 15 81.334 -1.884 11.603 116 1HD1 LEU 15 HD11 LEU 15 81.945 -3.141 14.251 117 2HD1 LEU 15 HD12 LEU 15 81.305 -1.537 13.893 118 3HD1 LEU 15 HD13 LEU 15 83.021 -1.874 13.662 119 1HD2 LEU 15 HD21 LEU 15 82.894 -4.127 11.014 120 2HD2 LEU 15 HD22 LEU 15 83.817 -3.274 12.251 121 3HD2 LEU 15 HD23 LEU 15 83.358 -2.444 10.764 122 H LYS 16 HN LYS 16 78.169 -3.287 10.663 123 HA LYS 16 HA LYS 16 78.466 -0.558 9.986 124 1HB LYS 16 HB2 LYS 16 77.585 -2.310 8.448 125 2HB LYS 16 HB1 LYS 16 76.087 -2.341 9.380 126 1HG LYS 16 HG2 LYS 16 75.721 0.045 8.886 127 2HG LYS 16 HG1 LYS 16 77.221 0.088 7.959 128 1HD LYS 16 HD2 LYS 16 76.313 -1.631 6.426 129 2HD LYS 16 HD1 LYS 16 74.804 -1.637 7.339 130 1HE LYS 16 HE2 LYS 16 74.474 0.750 6.821 131 2HE LYS 16 HE1 LYS 16 75.985 0.764 5.912 132 1HZ LYS 16 HZ1 LYS 16 75.063 -0.316 4.191 133 2HZ LYS 16 HZ2 LYS 16 73.603 0.281 4.823 134 3HZ LYS 16 HZ3 LYS 16 74.097 -1.307 5.172 135 H GLN 17 HN GLN 17 75.893 -2.163 11.868 136 HA GLN 17 HA GLN 17 74.232 0.084 12.277 137 1HB GLN 17 HB2 GLN 17 74.864 -2.157 14.225 138 2HB GLN 17 HB1 GLN 17 73.486 -1.062 14.342 139 1HG GLN 17 HG2 GLN 17 74.034 -2.883 11.980 140 2HG GLN 17 HG1 GLN 17 72.894 -3.242 13.277 141 1HE2 GLN 17 HE21 GLN 17 72.901 -2.138 10.185 142 2HE2 GLN 17 HE22 GLN 17 71.570 -1.085 10.235 143 H ALA 18 HN ALA 18 77.096 -0.983 14.106 144 HA ALA 18 HA ALA 18 77.029 1.114 16.051 145 1HB ALA 18 HB1 ALA 18 78.467 -1.009 16.072 146 2HB ALA 18 HB2 ALA 18 79.265 0.476 16.587 147 3HB ALA 18 HB3 ALA 18 79.548 -0.161 14.967 148 H LEU 19 HN LEU 19 78.451 0.908 12.808 149 HA LEU 19 HA LEU 19 79.866 3.394 12.901 150 1HB LEU 19 HB2 LEU 19 78.638 1.902 10.563 151 2HB LEU 19 HB1 LEU 19 79.715 3.290 10.399 152 HG LEU 19 HG LEU 19 80.442 0.744 11.875 153 1HD1 LEU 19 HD11 LEU 19 80.273 1.221 9.075 154 2HD1 LEU 19 HD12 LEU 19 80.967 -0.179 9.892 155 3HD1 LEU 19 HD13 LEU 19 81.984 1.207 9.500 156 1HD2 LEU 19 HD21 LEU 19 81.729 3.376 11.393 157 2HD2 LEU 19 HD22 LEU 19 82.767 1.965 11.189 158 3HD2 LEU 19 HD23 LEU 19 81.949 2.245 12.726 159 H LYS 20 HN LYS 20 76.516 2.576 12.092 160 HA LYS 20 HA LYS 20 75.709 5.095 11.059 161 1HB LYS 20 HB2 LYS 20 74.190 3.000 12.635 162 2HB LYS 20 HB1 LYS 20 73.417 4.418 11.925 163 1HG LYS 20 HG2 LYS 20 74.288 3.746 9.694 164 2HG LYS 20 HG1 LYS 20 74.978 2.295 10.422 165 1HD LYS 20 HD2 LYS 20 72.729 1.578 11.139 166 2HD LYS 20 HD1 LYS 20 72.034 3.029 10.415 167 1HE LYS 20 HE2 LYS 20 72.897 2.326 8.202 168 2HE LYS 20 HE1 LYS 20 73.552 0.860 8.933 169 1HZ LYS 20 HZ1 LYS 20 70.686 1.633 8.984 170 2HZ LYS 20 HZ2 LYS 20 71.354 0.179 9.554 171 3HZ LYS 20 HZ3 LYS 20 71.364 0.528 7.891 172 H THR 21 HN THR 21 75.912 3.916 14.406 173 HA THR 21 HA THR 21 74.783 6.267 15.613 174 HB THR 21 HB THR 21 75.847 5.431 17.691 175 HG1 THR 21 HG1 THR 21 77.078 3.487 17.478 176 1HG2 THR 21 HG21 THR 21 73.727 4.424 16.775 177 2HG2 THR 21 HG22 THR 21 74.658 3.331 17.799 178 3HG2 THR 21 HG23 THR 21 74.712 3.157 16.045 179 H ARG 22 HN ARG 22 78.021 5.424 14.518 180 HA ARG 22 HA ARG 22 79.333 7.665 15.811 181 1HB ARG 22 HB2 ARG 22 80.115 5.861 13.507 182 2HB ARG 22 HB1 ARG 22 81.161 7.144 14.116 183 1HG ARG 22 HG2 ARG 22 81.150 6.132 16.347 184 2HG ARG 22 HG1 ARG 22 80.045 4.875 15.790 185 1HD ARG 22 HD2 ARG 22 81.728 4.093 14.175 186 2HD ARG 22 HD1 ARG 22 82.834 5.362 14.701 187 HE ARG 22 HE ARG 22 83.240 4.130 16.703 188 1HH1 ARG 22 HH21 ARG 22 80.687 2.833 14.780 189 2HH1 ARG 22 HH22 ARG 22 80.602 1.344 15.661 190 1HH2 ARG 22 HH11 ARG 22 83.142 2.193 17.863 191 2HH2 ARG 22 HH12 ARG 22 81.991 0.983 17.406 192 H GLY 23 HN GLY 23 77.359 7.308 13.013 193 1HA GLY 23 HA2 GLY 23 76.470 9.409 12.029 194 2HA GLY 23 HA1 GLY 23 78.089 10.090 12.194 195 H VAL 24 HN VAL 24 77.029 6.928 10.924 196 HA VAL 24 HA VAL 24 78.335 7.676 8.336 197 HB VAL 24 HB VAL 24 78.358 5.041 9.832 198 1HG1 VAL 24 HG11 VAL 24 78.024 4.311 7.633 199 2HG1 VAL 24 HG12 VAL 24 79.783 4.398 7.724 200 3HG1 VAL 24 HG13 VAL 24 78.876 5.692 6.941 201 1HG2 VAL 24 HG21 VAL 24 80.054 6.958 10.262 202 2HG2 VAL 24 HG22 VAL 24 80.684 6.569 8.661 203 3HG2 VAL 24 HG23 VAL 24 80.702 5.350 9.934 204 H LYS 25 HN LYS 25 77.062 7.396 6.543 205 HA LYS 25 HA LYS 25 74.624 5.696 6.823 206 1HB LYS 25 HB2 LYS 25 74.764 8.475 5.610 207 2HB LYS 25 HB1 LYS 25 73.355 7.415 5.543 208 1HG LYS 25 HG2 LYS 25 73.252 7.385 8.006 209 2HG LYS 25 HG1 LYS 25 74.665 8.439 8.080 210 1HD LYS 25 HD2 LYS 25 73.435 10.188 6.855 211 2HD LYS 25 HD1 LYS 25 72.021 9.136 6.767 212 1HE LYS 25 HE2 LYS 25 71.914 9.081 9.238 213 2HE LYS 25 HE1 LYS 25 73.312 10.155 9.316 214 1HZ LYS 25 HZ1 LYS 25 71.783 11.766 9.311 215 2HZ LYS 25 HZ2 LYS 25 70.557 10.755 8.706 216 3HZ LYS 25 HZ3 LYS 25 71.673 11.473 7.644 217 H VAL 26 HN VAL 26 75.490 4.054 5.517 218 HA VAL 26 HA VAL 26 75.856 4.809 2.654 219 HB VAL 26 HB VAL 26 77.708 3.172 2.489 220 1HG1 VAL 26 HG11 VAL 26 78.736 4.782 4.710 221 2HG1 VAL 26 HG12 VAL 26 77.792 5.731 3.562 222 3HG1 VAL 26 HG13 VAL 26 79.187 4.806 3.006 223 1HG2 VAL 26 HG21 VAL 26 77.097 2.884 5.429 224 2HG2 VAL 26 HG22 VAL 26 78.705 2.520 4.803 225 3HG2 VAL 26 HG23 VAL 26 77.307 1.618 4.218 226 H LYS 27 HN LYS 27 75.415 2.995 1.181 227 HA LYS 27 HA LYS 27 73.142 1.427 2.066 228 1HB LYS 27 HB2 LYS 27 74.765 1.361 -0.495 229 2HB LYS 27 HB1 LYS 27 73.286 0.437 -0.236 230 1HG LYS 27 HG2 LYS 27 72.056 2.544 0.197 231 2HG LYS 27 HG1 LYS 27 73.533 3.457 -0.109 232 1HD LYS 27 HD2 LYS 27 73.628 2.551 -2.400 233 2HD LYS 27 HD1 LYS 27 72.154 1.629 -2.098 234 1HE LYS 27 HE2 LYS 27 70.938 3.745 -1.660 235 2HE LYS 27 HE1 LYS 27 72.408 4.651 -2.020 236 1HZ LYS 27 HZ1 LYS 27 71.228 4.636 -4.010 237 2HZ LYS 27 HZ2 LYS 27 70.763 3.010 -3.846 238 3HZ LYS 27 HZ3 LYS 27 72.374 3.402 -4.219 239 H TYR 28 HN TYR 28 73.059 -0.819 2.432 240 HA TYR 28 HA TYR 28 75.313 -2.062 3.614 241 1HB TYR 28 HB2 TYR 28 72.958 -2.798 3.961 242 2HB TYR 28 HB1 TYR 28 72.935 -3.428 2.314 243 HD1 TYR 28 HD1 TYR 28 74.635 -3.739 5.615 244 HD2 TYR 28 HD2 TYR 28 73.885 -5.543 1.788 245 HE1 TYR 28 HE1 TYR 28 75.677 -5.847 6.404 246 HE2 TYR 28 HE2 TYR 28 74.927 -7.651 2.579 247 HH TYR 28 HH TYR 28 76.854 -8.078 4.665 248 H ALA 29 HN ALA 29 74.172 -2.042 0.277 249 HA ALA 29 HA ALA 29 75.763 -4.151 -0.756 250 1HB ALA 29 HB1 ALA 29 74.481 -1.707 -1.878 251 2HB ALA 29 HB2 ALA 29 74.320 -3.390 -2.378 252 3HB ALA 29 HB3 ALA 29 75.744 -2.462 -2.851 253 H ASP 30 HN ASP 30 76.570 -0.792 -0.009 254 HA ASP 30 HA ASP 30 79.105 -0.681 -1.292 255 1HB ASP 30 HB2 ASP 30 78.091 0.665 1.228 256 2HB ASP 30 HB1 ASP 30 79.639 1.050 0.474 257 H LEU 31 HN LEU 31 78.175 -1.864 1.930 258 HA LEU 31 HA LEU 31 80.813 -2.403 2.876 259 1HB LEU 31 HB2 LEU 31 78.082 -3.477 3.528 260 2HB LEU 31 HB1 LEU 31 79.510 -4.241 4.228 261 HG LEU 31 HG LEU 31 78.522 -2.419 5.661 262 1HD1 LEU 31 HD11 LEU 31 81.170 -3.030 5.124 263 2HD1 LEU 31 HD12 LEU 31 80.605 -2.039 6.469 264 3HD1 LEU 31 HD13 LEU 31 81.133 -1.273 4.970 265 1HD2 LEU 31 HD21 LEU 31 77.961 -1.010 3.577 266 2HD2 LEU 31 HD22 LEU 31 79.659 -0.533 3.590 267 3HD2 LEU 31 HD23 LEU 31 78.624 -0.147 4.965 268 H LEU 32 HN LEU 32 78.501 -4.445 1.084 269 HA LEU 32 HA LEU 32 80.157 -6.780 1.018 270 1HB LEU 32 HB2 LEU 32 77.978 -5.808 -0.854 271 2HB LEU 32 HB1 LEU 32 78.736 -7.396 -0.981 272 HG LEU 32 HG LEU 32 77.400 -6.380 1.540 273 1HD1 LEU 32 HD11 LEU 32 75.887 -8.470 0.475 274 2HD1 LEU 32 HD12 LEU 32 76.267 -7.460 -0.920 275 3HD1 LEU 32 HD13 LEU 32 75.445 -6.763 0.476 276 1HD2 LEU 32 HD21 LEU 32 77.364 -9.086 1.654 277 2HD2 LEU 32 HD22 LEU 32 78.691 -8.119 2.298 278 3HD2 LEU 32 HD23 LEU 32 78.827 -8.848 0.698 279 H LYS 33 HN LYS 33 79.831 -4.028 -1.222 280 HA LYS 33 HA LYS 33 81.659 -5.052 -3.187 281 1HB LYS 33 HB2 LYS 33 80.808 -2.224 -2.506 282 2HB LYS 33 HB1 LYS 33 81.821 -2.630 -3.891 283 1HG LYS 33 HG2 LYS 33 80.062 -4.088 -4.782 284 2HG LYS 33 HG1 LYS 33 79.052 -3.756 -3.374 285 1HD LYS 33 HD2 LYS 33 78.924 -1.397 -3.969 286 2HD LYS 33 HD1 LYS 33 80.040 -1.644 -5.312 287 1HE LYS 33 HE2 LYS 33 78.426 -3.180 -6.374 288 2HE LYS 33 HE1 LYS 33 77.307 -2.931 -5.033 289 1HZ LYS 33 HZ1 LYS 33 78.146 -1.031 -7.122 290 2HZ LYS 33 HZ2 LYS 33 77.583 -0.458 -5.626 291 3HZ LYS 33 HZ3 LYS 33 76.581 -1.424 -6.601 292 H PHE 34 HN PHE 34 82.093 -3.090 -0.268 293 HA PHE 34 HA PHE 34 84.799 -2.329 -0.688 294 1HB PHE 34 HB2 PHE 34 83.654 -1.295 1.123 295 2HB PHE 34 HB1 PHE 34 83.194 -2.850 1.820 296 HD1 PHE 34 HD1 PHE 34 84.393 -3.529 3.689 297 HD2 PHE 34 HD2 PHE 34 86.343 -1.113 0.721 298 HE1 PHE 34 HE1 PHE 34 86.469 -3.538 5.045 299 HE2 PHE 34 HE2 PHE 34 88.419 -1.122 2.078 300 HZ PHE 34 HZ PHE 34 88.482 -2.335 4.240 301 H PHE 35 HN PHE 35 83.490 -5.173 1.050 302 HA PHE 35 HA PHE 35 86.043 -6.341 1.606 303 1HB PHE 35 HB2 PHE 35 83.254 -7.480 1.381 304 2HB PHE 35 HB1 PHE 35 84.644 -8.504 1.743 305 HD1 PHE 35 HD1 PHE 35 86.237 -7.596 3.660 306 HD2 PHE 35 HD2 PHE 35 82.124 -6.462 3.151 307 HE1 PHE 35 HE1 PHE 35 86.137 -6.893 6.036 308 HE2 PHE 35 HE2 PHE 35 82.025 -5.759 5.527 309 HZ PHE 35 HZ PHE 35 84.030 -5.975 6.970 310 H ASP 36 HN ASP 36 83.778 -6.763 -1.111 311 HA ASP 36 HA ASP 36 85.283 -8.813 -2.435 312 1HB ASP 36 HB2 ASP 36 83.186 -6.838 -3.288 313 2HB ASP 36 HB1 ASP 36 84.046 -7.771 -4.514 314 H PHE 37 HN PHE 37 85.390 -5.271 -2.593 315 HA PHE 37 HA PHE 37 87.206 -5.068 -4.789 316 1HB PHE 37 HB2 PHE 37 85.902 -3.160 -3.810 317 2HB PHE 37 HB1 PHE 37 86.983 -3.192 -2.417 318 HD1 PHE 37 HD1 PHE 37 87.086 -3.042 -6.164 319 HD2 PHE 37 HD2 PHE 37 88.930 -1.900 -2.456 320 HE1 PHE 37 HE1 PHE 37 88.731 -1.662 -7.406 321 HE2 PHE 37 HE2 PHE 37 90.575 -0.522 -3.698 322 HZ PHE 37 HZ PHE 37 90.475 -0.403 -6.173 323 H VAL 38 HN VAL 38 87.793 -5.201 -1.269 324 HA VAL 38 HA VAL 38 90.630 -4.966 -1.411 325 HB VAL 38 HB VAL 38 88.896 -6.411 0.617 326 1HG1 VAL 38 HG11 VAL 38 91.821 -6.010 0.369 327 2HG1 VAL 38 HG12 VAL 38 90.924 -7.236 1.266 328 3HG1 VAL 38 HG13 VAL 38 91.138 -5.624 1.948 329 1HG2 VAL 38 HG21 VAL 38 90.209 -3.855 1.286 330 2HG2 VAL 38 HG22 VAL 38 88.555 -4.384 1.596 331 3HG2 VAL 38 HG23 VAL 38 88.989 -3.727 0.019 332 H LYS 39 HN LYS 39 88.578 -7.898 -1.238 333 HA LYS 39 HA LYS 39 90.745 -9.753 -1.475 334 1HB LYS 39 HB2 LYS 39 87.821 -10.009 -2.239 335 2HB LYS 39 HB1 LYS 39 88.958 -11.358 -2.213 336 1HG LYS 39 HG2 LYS 39 89.404 -10.931 0.183 337 2HG LYS 39 HG1 LYS 39 88.244 -9.601 0.155 338 1HD LYS 39 HD2 LYS 39 86.458 -11.182 -0.507 339 2HD LYS 39 HD1 LYS 39 87.618 -12.509 -0.440 340 1HE LYS 39 HE2 LYS 39 87.998 -12.092 1.944 341 2HE LYS 39 HE1 LYS 39 86.901 -10.713 1.896 342 1HZ LYS 39 HZ1 LYS 39 86.228 -13.325 2.400 343 2HZ LYS 39 HZ2 LYS 39 85.686 -13.046 0.814 344 3HZ LYS 39 HZ3 LYS 39 85.158 -12.048 2.083 345 H ASP 40 HN ASP 40 88.882 -7.950 -3.850 346 HA ASP 40 HA ASP 40 89.793 -9.432 -6.155 347 1HB ASP 40 HB2 ASP 40 88.499 -6.759 -5.707 348 2HB ASP 40 HB1 ASP 40 89.172 -7.141 -7.293 349 H THR 41 HN THR 41 91.273 -7.076 -4.112 350 HA THR 41 HA THR 41 92.981 -5.719 -5.900 351 HB THR 41 HB THR 41 93.874 -6.651 -3.169 352 HG1 THR 41 HG1 THR 41 92.348 -4.334 -3.621 353 1HG2 THR 41 HG21 THR 41 95.514 -5.401 -4.462 354 2HG2 THR 41 HG22 THR 41 94.903 -4.373 -3.165 355 3HG2 THR 41 HG23 THR 41 94.325 -4.148 -4.816 356 H CYS 42 HN CYS 42 93.793 -8.650 -3.996 357 HA CYS 42 HA CYS 42 95.964 -9.174 -5.980 358 1HB CYS 42 HB2 CYS 42 95.779 -9.397 -3.075 359 2HB CYS 42 HB1 CYS 42 96.342 -10.894 -3.818 360 HG CYS 42 HG CYS 42 98.366 -9.662 -4.795 361 HA PRO 43 HA PRO 43 93.941 -13.579 -4.857 362 1HB PRO 43 HB2 PRO 43 91.236 -12.408 -4.341 363 2HB PRO 43 HB1 PRO 43 92.002 -13.836 -3.619 364 1HG PRO 43 HG2 PRO 43 91.824 -11.469 -2.343 365 2HG PRO 43 HG1 PRO 43 93.154 -12.610 -2.086 366 1HD PRO 43 HD2 PRO 43 93.264 -9.966 -3.405 367 2HD PRO 43 HD1 PRO 43 94.557 -11.010 -2.776 368 H TRP 44 HN TRP 44 91.974 -10.955 -6.277 369 HA TRP 44 HA TRP 44 91.912 -12.493 -8.821 370 1HB TRP 44 HB2 TRP 44 89.438 -11.176 -7.672 371 2HB TRP 44 HB1 TRP 44 89.541 -12.211 -9.096 372 HD1 TRP 44 HD1 TRP 44 90.856 -14.728 -8.337 373 HE1 TRP 44 HE1 TRP 44 90.056 -16.269 -6.430 374 HE3 TRP 44 HE3 TRP 44 88.127 -11.395 -5.594 375 HZ2 TRP 44 HZ2 TRP 44 88.467 -16.109 -4.055 376 HZ3 TRP 44 HZ3 TRP 44 86.982 -12.115 -3.517 377 HH2 TRP 44 HH2 TRP 44 87.148 -14.465 -2.745 378 H PHE 45 HN PHE 45 90.189 -10.663 -10.159 379 HA PHE 45 HA PHE 45 90.964 -7.927 -9.761 380 1HB PHE 45 HB2 PHE 45 93.034 -9.374 -10.798 381 2HB PHE 45 HB1 PHE 45 92.230 -8.834 -12.272 382 HD1 PHE 45 HD1 PHE 45 91.787 -6.373 -12.613 383 HD2 PHE 45 HD2 PHE 45 94.265 -7.854 -9.432 384 HE1 PHE 45 HE1 PHE 45 92.762 -4.112 -12.320 385 HE2 PHE 45 HE2 PHE 45 95.240 -5.593 -9.138 386 HZ PHE 45 HZ PHE 45 94.489 -3.721 -10.582 387 HA PRO 46 HA PRO 46 87.618 -9.116 -12.921 388 1HB PRO 46 HB2 PRO 46 85.426 -8.590 -11.356 389 2HB PRO 46 HB1 PRO 46 86.166 -10.194 -11.504 390 1HG PRO 46 HG2 PRO 46 86.403 -8.192 -9.326 391 2HG PRO 46 HG1 PRO 46 86.355 -9.960 -9.238 392 1HD PRO 46 HD2 PRO 46 88.706 -8.501 -9.024 393 2HD PRO 46 HD1 PRO 46 88.617 -10.180 -9.603 394 H GLN 47 HN GLN 47 85.943 -7.567 -13.787 395 HA GLN 47 HA GLN 47 86.934 -4.909 -13.943 396 1HB GLN 47 HB2 GLN 47 84.148 -5.965 -14.513 397 2HB GLN 47 HB1 GLN 47 84.744 -4.380 -15.007 398 1HG GLN 47 HG2 GLN 47 86.025 -7.012 -15.796 399 2HG GLN 47 HG1 GLN 47 84.925 -6.091 -16.822 400 1HE2 GLN 47 HE21 GLN 47 88.094 -6.670 -16.646 401 2HE2 GLN 47 HE22 GLN 47 88.732 -5.153 -17.060 402 H GLU 48 HN GLU 48 86.460 -3.051 -12.785 403 HA GLU 48 HA GLU 48 85.227 -3.407 -10.163 404 1HB GLU 48 HB2 GLU 48 86.326 -0.963 -11.580 405 2HB GLU 48 HB1 GLU 48 85.731 -0.957 -9.918 406 1HG GLU 48 HG2 GLU 48 87.403 -2.620 -9.277 407 2HG GLU 48 HG1 GLU 48 87.962 -2.735 -10.946 408 H GLY 49 HN GLY 49 83.180 -2.791 -9.551 409 1HA GLY 49 HA2 GLY 49 81.368 -1.894 -11.720 410 2HA GLY 49 HA1 GLY 49 80.862 -2.562 -10.167 411 H THR 50 HN THR 50 79.436 -0.482 -10.488 412 HA THR 50 HA THR 50 80.647 2.093 -10.072 413 HB THR 50 HB THR 50 77.850 1.026 -9.662 414 HG1 THR 50 HG1 THR 50 77.660 2.791 -11.345 415 1HG2 THR 50 HG21 THR 50 78.999 3.727 -8.981 416 2HG2 THR 50 HG22 THR 50 77.931 2.709 -8.014 417 3HG2 THR 50 HG23 THR 50 77.304 3.547 -9.433 418 H ILE 51 HN ILE 51 81.075 3.197 -8.154 419 HA ILE 51 HA ILE 51 80.576 1.690 -5.619 420 HB ILE 51 HB ILE 51 83.044 1.929 -6.674 421 1HG1 ILE 51 HG12 ILE 51 82.539 0.676 -4.652 422 2HG1 ILE 51 HG11 ILE 51 83.886 1.762 -4.310 423 1HG2 ILE 51 HG21 ILE 51 84.215 3.825 -5.744 424 2HG2 ILE 51 HG22 ILE 51 82.778 4.342 -4.861 425 3HG2 ILE 51 HG23 ILE 51 82.816 4.443 -6.621 426 1HD1 ILE 51 HD11 ILE 51 81.012 1.993 -3.448 427 2HD1 ILE 51 HD12 ILE 51 82.028 3.430 -3.547 428 3HD1 ILE 51 HD13 ILE 51 82.473 2.108 -2.469 429 H ASP 52 HN ASP 52 79.671 2.911 -4.005 430 HA ASP 52 HA ASP 52 78.619 5.510 -4.593 431 1HB ASP 52 HB2 ASP 52 78.942 3.995 -1.991 432 2HB ASP 52 HB1 ASP 52 78.117 5.550 -2.104 433 H ILE 53 HN ILE 53 79.427 7.548 -4.155 434 HA ILE 53 HA ILE 53 82.255 7.820 -3.624 435 HB ILE 53 HB ILE 53 80.087 9.942 -3.554 436 1HG1 ILE 53 HG12 ILE 53 81.913 9.145 -5.842 437 2HG1 ILE 53 HG11 ILE 53 80.241 8.602 -5.692 438 1HG2 ILE 53 HG21 ILE 53 82.927 9.987 -3.045 439 2HG2 ILE 53 HG22 ILE 53 81.772 11.318 -2.970 440 3HG2 ILE 53 HG23 ILE 53 82.569 10.926 -4.493 441 1HD1 ILE 53 HD11 ILE 53 81.040 10.924 -6.951 442 2HD1 ILE 53 HD12 ILE 53 80.557 11.504 -5.357 443 3HD1 ILE 53 HD13 ILE 53 79.412 10.605 -6.354 444 H LYS 54 HN LYS 54 79.418 7.734 -1.619 445 HA LYS 54 HA LYS 54 80.448 9.173 0.641 446 1HB LYS 54 HB2 LYS 54 78.400 6.942 0.474 447 2HB LYS 54 HB1 LYS 54 78.716 7.892 1.926 448 1HG LYS 54 HG2 LYS 54 78.116 9.312 -0.649 449 2HG LYS 54 HG1 LYS 54 76.788 8.618 0.282 450 1HD LYS 54 HD2 LYS 54 77.528 9.875 2.276 451 2HD LYS 54 HD1 LYS 54 78.847 10.579 1.340 452 1HE LYS 54 HE2 LYS 54 77.206 11.594 -0.205 453 2HE LYS 54 HE1 LYS 54 75.891 10.904 0.746 454 1HZ LYS 54 HZ1 LYS 54 76.780 12.136 2.681 455 2HZ LYS 54 HZ2 LYS 54 76.227 13.146 1.432 456 3HZ LYS 54 HZ3 LYS 54 77.892 12.897 1.652 457 H PHE 55 HN PHE 55 80.646 5.766 -0.340 458 HA PHE 55 HA PHE 55 82.071 5.032 2.122 459 1HB PHE 55 HB2 PHE 55 80.491 3.545 0.641 460 2HB PHE 55 HB1 PHE 55 81.941 3.294 -0.330 461 HD1 PHE 55 HD1 PHE 55 80.327 2.683 2.914 462 HD2 PHE 55 HD2 PHE 55 83.908 2.157 0.602 463 HE1 PHE 55 HE1 PHE 55 81.140 1.012 4.555 464 HE2 PHE 55 HE2 PHE 55 84.722 0.486 2.242 465 HZ PHE 55 HZ PHE 55 83.338 -0.087 4.219 466 H TRP 56 HN TRP 56 82.906 6.475 -0.824 467 HA TRP 56 HA TRP 56 85.413 5.280 -1.419 468 1HB TRP 56 HB2 TRP 56 84.472 6.847 -2.981 469 2HB TRP 56 HB1 TRP 56 84.424 8.122 -1.765 470 HD1 TRP 56 HD1 TRP 56 87.373 5.758 -2.512 471 HE1 TRP 56 HE1 TRP 56 89.414 7.191 -3.165 472 HE3 TRP 56 HE3 TRP 56 85.223 10.390 -2.543 473 HZ2 TRP 56 HZ2 TRP 56 90.051 9.939 -3.637 474 HZ3 TRP 56 HZ3 TRP 56 86.568 12.396 -3.097 475 HH2 TRP 56 HH2 TRP 56 88.976 12.177 -3.644 476 H ARG 57 HN ARG 57 84.548 7.803 0.923 477 HA ARG 57 HA ARG 57 87.210 8.533 1.651 478 1HB ARG 57 HB2 ARG 57 84.608 8.586 3.202 479 2HB ARG 57 HB1 ARG 57 86.117 9.247 3.832 480 1HG ARG 57 HG2 ARG 57 85.972 11.091 2.531 481 2HG ARG 57 HG1 ARG 57 85.551 10.142 1.104 482 1HD ARG 57 HD2 ARG 57 83.682 11.605 1.665 483 2HD ARG 57 HD1 ARG 57 83.222 9.932 1.980 484 HE ARG 57 HE ARG 57 84.315 11.100 4.364 485 1HH1 ARG 57 HH21 ARG 57 81.582 11.114 2.262 486 2HH1 ARG 57 HH22 ARG 57 80.462 11.567 3.503 487 1HH2 ARG 57 HH11 ARG 57 82.869 11.691 5.997 488 2HH2 ARG 57 HH12 ARG 57 81.191 11.893 5.618 489 H ARG 58 HN ARG 58 85.044 5.988 2.868 490 HA ARG 58 HA ARG 58 86.773 5.130 4.996 491 1HB ARG 58 HB2 ARG 58 84.595 3.716 3.436 492 2HB ARG 58 HB1 ARG 58 85.444 2.967 4.789 493 1HG ARG 58 HG2 ARG 58 84.740 4.806 6.267 494 2HG ARG 58 HG1 ARG 58 83.909 5.579 4.916 495 1HD ARG 58 HD2 ARG 58 82.311 4.306 6.284 496 2HD ARG 58 HD1 ARG 58 82.455 3.590 4.679 497 HE ARG 58 HE ARG 58 83.443 1.680 5.672 498 1HH1 ARG 58 HH21 ARG 58 83.298 4.370 7.822 499 2HH1 ARG 58 HH22 ARG 58 83.786 3.457 9.211 500 1HH2 ARG 58 HH11 ARG 58 84.081 0.472 7.472 501 2HH2 ARG 58 HH12 ARG 58 84.229 1.249 9.013 502 H VAL 59 HN VAL 59 86.483 4.185 1.585 503 HA VAL 59 HA VAL 59 88.284 1.972 1.677 504 HB VAL 59 HB VAL 59 87.560 3.890 -0.553 505 1HG1 VAL 59 HG11 VAL 59 89.481 3.108 -1.507 506 2HG1 VAL 59 HG12 VAL 59 88.508 1.669 -1.807 507 3HG1 VAL 59 HG13 VAL 59 89.583 1.729 -0.411 508 1HG2 VAL 59 HG21 VAL 59 86.799 1.119 -0.879 509 2HG2 VAL 59 HG22 VAL 59 85.767 2.547 -0.817 510 3HG2 VAL 59 HG23 VAL 59 86.221 1.722 0.674 511 H GLY 60 HN GLY 60 88.845 5.437 1.055 512 1HA GLY 60 HA2 GLY 60 91.644 5.222 0.531 513 2HA GLY 60 HA1 GLY 60 90.834 6.681 1.103 514 H ASP 61 HN ASP 61 89.920 6.001 3.574 515 HA ASP 61 HA ASP 61 92.260 6.141 5.200 516 1HB ASP 61 HB2 ASP 61 89.344 5.652 5.738 517 2HB ASP 61 HB1 ASP 61 90.516 5.441 7.041 518 H CYS 62 HN CYS 62 90.122 3.415 4.382 519 HA CYS 62 HA CYS 62 91.419 1.505 6.086 520 1HB CYS 62 HB2 CYS 62 89.908 1.059 3.493 521 2HB CYS 62 HB1 CYS 62 90.303 -0.188 4.675 522 HG CYS 62 HG CYS 62 88.514 0.660 6.211 523 H PHE 63 HN PHE 63 91.773 2.123 2.573 524 HA PHE 63 HA PHE 63 93.899 0.267 2.170 525 1HB PHE 63 HB2 PHE 63 92.847 2.652 0.710 526 2HB PHE 63 HB1 PHE 63 94.445 2.055 0.261 527 HD1 PHE 63 HD1 PHE 63 91.531 0.098 1.517 528 HD2 PHE 63 HD2 PHE 63 94.057 1.011 -1.834 529 HE1 PHE 63 HE1 PHE 63 90.482 -1.740 0.225 530 HE2 PHE 63 HE2 PHE 63 93.008 -0.828 -3.126 531 HZ PHE 63 HZ PHE 63 91.220 -2.204 -2.097 532 H GLN 64 HN GLN 64 93.932 3.714 3.054 533 HA GLN 64 HA GLN 64 96.776 4.033 2.977 534 1HB GLN 64 HB2 GLN 64 95.161 5.927 3.091 535 2HB GLN 64 HB1 GLN 64 94.776 5.468 4.751 536 1HG GLN 64 HG2 GLN 64 97.046 5.891 5.467 537 2HG GLN 64 HG1 GLN 64 97.573 6.144 3.802 538 1HE2 GLN 64 HE21 GLN 64 97.827 8.153 5.902 539 2HE2 GLN 64 HE22 GLN 64 96.852 9.470 5.459 540 H ASP 65 HN ASP 65 94.561 2.967 5.541 541 HA ASP 65 HA ASP 65 96.508 2.878 7.638 542 1HB ASP 65 HB2 ASP 65 93.928 1.364 7.174 543 2HB ASP 65 HB1 ASP 65 94.903 1.153 8.630 544 H TYR 66 HN TYR 66 95.400 0.397 5.323 545 HA TYR 66 HA TYR 66 97.149 -1.664 6.319 546 1HB TYR 66 HB2 TYR 66 95.665 -1.253 3.722 547 2HB TYR 66 HB1 TYR 66 96.737 -2.635 3.959 548 HD1 TYR 66 HD1 TYR 66 93.425 -1.516 4.294 549 HD2 TYR 66 HD2 TYR 66 96.388 -3.885 6.308 550 HE1 TYR 66 HE1 TYR 66 91.635 -2.691 5.547 551 HE2 TYR 66 HE2 TYR 66 94.599 -5.059 7.561 552 HH TYR 66 HH TYR 66 91.812 -5.426 6.874 553 H TYR 67 HN TYR 67 97.542 0.958 4.011 554 HA TYR 67 HA TYR 67 99.885 0.024 2.688 555 1HB TYR 67 HB2 TYR 67 98.903 1.925 1.716 556 2HB TYR 67 HB1 TYR 67 98.764 2.760 3.264 557 HD1 TYR 67 HD1 TYR 67 100.348 4.383 3.813 558 HD2 TYR 67 HD2 TYR 67 101.377 1.311 0.993 559 HE1 TYR 67 HE1 TYR 67 102.542 5.473 3.425 560 HE2 TYR 67 HE2 TYR 67 103.570 2.401 0.605 561 HH TYR 67 HH TYR 67 104.394 5.483 2.184 562 H ASN 68 HN ASN 68 99.625 2.244 5.494 563 HA ASN 68 HA ASN 68 102.457 2.257 5.998 564 1HB ASN 68 HB2 ASN 68 100.561 3.864 6.856 565 2HB ASN 68 HB1 ASN 68 100.435 2.701 8.177 566 1HD2 ASN 68 HD21 ASN 68 101.331 4.284 9.712 567 2HD2 ASN 68 HD22 ASN 68 102.984 4.669 9.696 568 H THR 69 HN THR 69 99.786 0.249 7.164 569 HA THR 69 HA THR 69 101.228 -1.062 9.263 570 HB THR 69 HB THR 69 99.020 -2.288 7.591 571 HG1 THR 69 HG1 THR 69 99.032 -0.163 9.349 572 1HG2 THR 69 HG21 THR 69 98.554 -3.578 9.546 573 2HG2 THR 69 HG22 THR 69 99.623 -2.587 10.537 574 3HG2 THR 69 HG23 THR 69 100.299 -3.662 9.313 575 H PHE 70 HN PHE 70 100.699 -1.950 5.843 576 HA PHE 70 HA PHE 70 102.841 -4.012 6.169 577 1HB PHE 70 HB2 PHE 70 100.512 -3.843 4.237 578 2HB PHE 70 HB1 PHE 70 101.820 -5.016 4.080 579 HD1 PHE 70 HD1 PHE 70 102.201 -6.717 5.865 580 HD2 PHE 70 HD2 PHE 70 98.807 -4.085 5.915 581 HE1 PHE 70 HE1 PHE 70 101.085 -8.188 7.521 582 HE2 PHE 70 HE2 PHE 70 97.691 -5.556 7.570 583 HZ PHE 70 HZ PHE 70 98.830 -7.607 8.373 584 H GLY 71 HN GLY 71 101.495 -1.715 3.775 585 1HA GLY 71 HA2 GLY 71 103.445 -0.130 2.997 586 2HA GLY 71 HA1 GLY 71 104.162 -1.649 2.455 587 HA PRO 72 HA PRO 72 101.538 0.005 -0.997 588 1HB PRO 72 HB2 PRO 72 103.473 -0.451 -2.932 589 2HB PRO 72 HB1 PRO 72 103.245 1.082 -2.074 590 1HG PRO 72 HG2 PRO 72 105.316 -0.978 -1.725 591 2HG PRO 72 HG1 PRO 72 105.363 0.752 -1.356 592 1HD PRO 72 HD2 PRO 72 105.082 -1.309 0.490 593 2HD PRO 72 HD1 PRO 72 104.738 0.410 0.791 594 H GLU 73 HN GLU 73 103.169 -2.954 -0.318 595 HA GLU 73 HA GLU 73 102.464 -4.489 -2.616 596 1HB GLU 73 HB2 GLU 73 102.853 -5.283 0.282 597 2HB GLU 73 HB1 GLU 73 102.602 -6.450 -1.016 598 1HG GLU 73 HG2 GLU 73 104.595 -5.655 -2.175 599 2HG GLU 73 HG1 GLU 73 104.821 -4.385 -0.971 600 H LYS 74 HN LYS 74 100.777 -4.215 0.534 601 HA LYS 74 HA LYS 74 98.476 -5.707 -0.282 602 1HB LYS 74 HB2 LYS 74 98.757 -3.544 1.829 603 2HB LYS 74 HB1 LYS 74 97.366 -4.616 1.668 604 1HG LYS 74 HG2 LYS 74 100.211 -5.578 2.079 605 2HG LYS 74 HG1 LYS 74 99.027 -5.404 3.374 606 1HD LYS 74 HD2 LYS 74 97.519 -6.885 1.811 607 2HD LYS 74 HD1 LYS 74 99.060 -7.354 1.091 608 1HE LYS 74 HE2 LYS 74 99.901 -8.054 3.285 609 2HE LYS 74 HE1 LYS 74 98.397 -7.532 4.045 610 1HZ LYS 74 HZ1 LYS 74 97.789 -9.645 3.699 611 2HZ LYS 74 HZ2 LYS 74 98.958 -9.908 2.495 612 3HZ LYS 74 HZ3 LYS 74 97.492 -9.140 2.107 613 H VAL 75 HN VAL 75 99.145 -2.206 -0.270 614 HA VAL 75 HA VAL 75 97.122 -1.876 -2.403 615 HB VAL 75 HB VAL 75 96.036 0.004 -1.192 616 1HG1 VAL 75 HG11 VAL 75 94.643 -1.361 0.159 617 2HG1 VAL 75 HG12 VAL 75 95.964 -2.462 0.549 618 3HG1 VAL 75 HG13 VAL 75 95.271 -2.456 -1.073 619 1HG2 VAL 75 HG21 VAL 75 97.167 0.887 0.552 620 2HG2 VAL 75 HG22 VAL 75 98.254 -0.500 0.618 621 3HG2 VAL 75 HG23 VAL 75 96.715 -0.546 1.478 622 HA PRO 76 HA PRO 76 100.780 0.794 -3.060 623 1HB PRO 76 HB2 PRO 76 101.069 0.219 -5.706 624 2HB PRO 76 HB1 PRO 76 101.718 -0.816 -4.420 625 1HG PRO 76 HG2 PRO 76 99.338 -1.195 -6.130 626 2HG PRO 76 HG1 PRO 76 100.409 -2.397 -5.394 627 1HD PRO 76 HD2 PRO 76 97.868 -1.646 -4.475 628 2HD PRO 76 HD1 PRO 76 99.064 -2.592 -3.563 629 H VAL 77 HN VAL 77 101.079 2.338 -5.200 630 HA VAL 77 HA VAL 77 98.922 4.222 -5.060 631 HB VAL 77 HB VAL 77 100.115 5.398 -6.879 632 1HG1 VAL 77 HG11 VAL 77 101.369 6.097 -5.141 633 2HG1 VAL 77 HG12 VAL 77 102.529 4.839 -5.563 634 3HG1 VAL 77 HG13 VAL 77 101.275 4.516 -4.366 635 1HG2 VAL 77 HG21 VAL 77 100.723 3.411 -8.209 636 2HG2 VAL 77 HG22 VAL 77 101.822 2.887 -6.933 637 3HG2 VAL 77 HG23 VAL 77 102.156 4.367 -7.832 638 H THR 78 HN THR 78 99.361 1.373 -6.919 639 HA THR 78 HA THR 78 97.959 2.002 -9.302 640 HB THR 78 HB THR 78 99.161 -0.225 -8.443 641 HG1 THR 78 HG1 THR 78 97.448 -1.218 -10.055 642 1HG2 THR 78 HG21 THR 78 97.252 -0.521 -6.755 643 2HG2 THR 78 HG22 THR 78 97.657 -1.926 -7.742 644 3HG2 THR 78 HG23 THR 78 96.245 -0.949 -8.139 645 H ALA 79 HN ALA 79 96.790 1.275 -6.059 646 HA ALA 79 HA ALA 79 94.058 0.785 -6.689 647 1HB ALA 79 HB1 ALA 79 95.432 1.921 -4.251 648 2HB ALA 79 HB2 ALA 79 94.725 0.319 -4.461 649 3HB ALA 79 HB3 ALA 79 93.681 1.733 -4.317 650 H PHE 80 HN PHE 80 95.788 3.831 -6.040 651 HA PHE 80 HA PHE 80 93.477 5.520 -6.200 652 1HB PHE 80 HB2 PHE 80 96.428 6.029 -6.632 653 2HB PHE 80 HB1 PHE 80 95.222 7.312 -6.746 654 HD1 PHE 80 HD1 PHE 80 94.133 8.193 -4.791 655 HD2 PHE 80 HD2 PHE 80 96.761 4.809 -4.486 656 HE1 PHE 80 HE1 PHE 80 94.126 8.412 -2.321 657 HE2 PHE 80 HE2 PHE 80 96.753 5.027 -2.015 658 HZ PHE 80 HZ PHE 80 95.436 6.828 -0.933 659 H SER 81 HN SER 81 95.815 4.413 -8.640 660 HA SER 81 HA SER 81 94.866 5.988 -10.809 661 1HB SER 81 HB2 SER 81 96.043 3.193 -10.865 662 2HB SER 81 HB1 SER 81 95.891 4.262 -12.256 663 HG SER 81 HG SER 81 97.139 5.793 -10.901 664 H TYR 82 HN TYR 82 93.920 2.696 -9.779 665 HA TYR 82 HA TYR 82 91.909 2.366 -11.801 666 1HB TYR 82 HB2 TYR 82 92.467 1.057 -9.149 667 2HB TYR 82 HB1 TYR 82 90.987 0.679 -10.029 668 HD1 TYR 82 HD1 TYR 82 91.304 0.120 -12.593 669 HD2 TYR 82 HD2 TYR 82 94.411 -0.139 -9.638 670 HE1 TYR 82 HE1 TYR 82 92.575 -1.422 -14.062 671 HE2 TYR 82 HE2 TYR 82 95.681 -1.681 -11.107 672 HH TYR 82 HH TYR 82 95.741 -2.080 -13.735 673 H TRP 83 HN TRP 83 91.750 3.527 -8.431 674 HA TRP 83 HA TRP 83 88.922 3.897 -8.348 675 1HB TRP 83 HB2 TRP 83 90.848 4.128 -6.500 676 2HB TRP 83 HB1 TRP 83 90.684 5.834 -6.914 677 HD1 TRP 83 HD1 TRP 83 88.435 7.052 -6.306 678 HE1 TRP 83 HE1 TRP 83 86.451 6.410 -4.791 679 HE3 TRP 83 HE3 TRP 83 89.405 2.082 -5.639 680 HZ2 TRP 83 HZ2 TRP 83 85.412 4.096 -3.469 681 HZ3 TRP 83 HZ3 TRP 83 87.903 0.684 -4.249 682 HH2 TRP 83 HH2 TRP 83 85.910 1.684 -3.165 683 H ASN 84 HN ASN 84 91.545 5.964 -9.521 684 HA ASN 84 HA ASN 84 90.084 8.360 -9.900 685 1HB ASN 84 HB2 ASN 84 92.355 7.161 -11.511 686 2HB ASN 84 HB1 ASN 84 91.743 8.797 -11.757 687 1HD2 ASN 84 HD21 ASN 84 94.436 8.331 -10.886 688 2HD2 ASN 84 HD22 ASN 84 94.590 8.905 -9.296 689 H LEU 85 HN LEU 85 90.447 5.537 -12.043 690 HA LEU 85 HA LEU 85 88.852 6.574 -14.186 691 1HB LEU 85 HB2 LEU 85 89.394 3.720 -13.315 692 2HB LEU 85 HB1 LEU 85 88.598 4.161 -14.826 693 HG LEU 85 HG LEU 85 91.366 5.087 -14.002 694 1HD1 LEU 85 HD11 LEU 85 91.744 3.545 -16.193 695 2HD1 LEU 85 HD12 LEU 85 90.367 2.707 -15.477 696 3HD1 LEU 85 HD13 LEU 85 91.852 2.914 -14.549 697 1HD2 LEU 85 HD21 LEU 85 91.210 5.431 -16.680 698 2HD2 LEU 85 HD22 LEU 85 90.758 6.691 -15.530 699 3HD2 LEU 85 HD23 LEU 85 89.514 5.672 -16.257 700 H ILE 86 HN ILE 86 88.023 4.658 -11.304 701 HA ILE 86 HA ILE 86 85.265 4.268 -11.945 702 HB ILE 86 HB ILE 86 86.817 4.338 -9.361 703 1HG1 ILE 86 HG12 ILE 86 86.682 2.403 -11.169 704 2HG1 ILE 86 HG11 ILE 86 86.629 2.019 -9.448 705 1HG2 ILE 86 HG21 ILE 86 84.595 3.430 -8.381 706 2HG2 ILE 86 HG22 ILE 86 83.831 4.202 -9.771 707 3HG2 ILE 86 HG23 ILE 86 84.738 5.173 -8.611 708 1HD1 ILE 86 HD11 ILE 86 84.293 1.697 -9.468 709 2HD1 ILE 86 HD12 ILE 86 84.824 0.959 -10.980 710 3HD1 ILE 86 HD13 ILE 86 84.097 2.566 -10.990 711 H LYS 87 HN LYS 87 86.953 6.883 -10.224 712 HA LYS 87 HA LYS 87 84.682 8.343 -9.371 713 1HB LYS 87 HB2 LYS 87 87.043 8.856 -8.725 714 2HB LYS 87 HB1 LYS 87 87.316 9.489 -10.349 715 1HG LYS 87 HG2 LYS 87 85.596 11.188 -10.021 716 2HG LYS 87 HG1 LYS 87 85.197 10.518 -8.438 717 1HD LYS 87 HD2 LYS 87 87.489 11.016 -7.654 718 2HD LYS 87 HD1 LYS 87 87.871 11.710 -9.230 719 1HE LYS 87 HE2 LYS 87 86.122 13.405 -8.933 720 2HE LYS 87 HE1 LYS 87 85.680 12.697 -7.379 721 1HZ LYS 87 HZ1 LYS 87 88.463 13.209 -7.490 722 2HZ LYS 87 HZ2 LYS 87 87.309 13.795 -6.391 723 3HZ LYS 87 HZ3 LYS 87 87.598 14.623 -7.847 724 H GLU 88 HN GLU 88 86.376 8.352 -12.497 725 HA GLU 88 HA GLU 88 84.815 10.499 -13.627 726 1HB GLU 88 HB2 GLU 88 86.399 8.263 -14.927 727 2HB GLU 88 HB1 GLU 88 85.676 9.604 -15.816 728 1HG GLU 88 HG2 GLU 88 86.997 11.210 -14.509 729 2HG GLU 88 HG1 GLU 88 87.701 9.888 -13.576 730 H LEU 89 HN LEU 89 84.493 6.961 -13.634 731 HA LEU 89 HA LEU 89 82.333 6.837 -15.508 732 1HB LEU 89 HB2 LEU 89 83.519 5.021 -13.470 733 2HB LEU 89 HB1 LEU 89 81.868 4.664 -13.977 734 HG LEU 89 HG LEU 89 82.628 4.755 -16.359 735 1HD1 LEU 89 HD11 LEU 89 85.419 4.758 -15.186 736 2HD1 LEU 89 HD12 LEU 89 84.638 6.212 -15.806 737 3HD1 LEU 89 HD13 LEU 89 84.967 4.858 -16.888 738 1HD2 LEU 89 HD21 LEU 89 83.326 2.767 -14.343 739 2HD2 LEU 89 HD22 LEU 89 84.423 2.708 -15.722 740 3HD2 LEU 89 HD23 LEU 89 82.687 2.530 -15.969 741 H ILE 90 HN ILE 90 82.363 6.998 -11.942 742 HA ILE 90 HA ILE 90 79.467 7.005 -11.749 743 HB ILE 90 HB ILE 90 79.841 7.523 -9.386 744 1HG1 ILE 90 HG12 ILE 90 82.676 8.057 -10.318 745 2HG1 ILE 90 HG11 ILE 90 81.572 9.199 -9.549 746 1HG2 ILE 90 HG21 ILE 90 80.371 5.210 -10.409 747 2HG2 ILE 90 HG22 ILE 90 81.011 5.550 -8.801 748 3HG2 ILE 90 HG23 ILE 90 82.066 5.657 -10.210 749 1HD1 ILE 90 HD11 ILE 90 82.958 6.819 -8.317 750 2HD1 ILE 90 HD12 ILE 90 81.535 7.543 -7.569 751 3HD1 ILE 90 HD13 ILE 90 82.999 8.502 -7.793 752 H ASP 91 HN ASP 91 81.991 9.500 -11.771 753 HA ASP 91 HA ASP 91 80.289 11.710 -11.137 754 1HB ASP 91 HB2 ASP 91 82.925 11.441 -12.571 755 2HB ASP 91 HB1 ASP 91 82.109 13.003 -12.485 756 H LYS 92 HN LYS 92 81.272 10.311 -14.271 757 HA LYS 92 HA LYS 92 79.852 12.169 -15.908 758 1HB LYS 92 HB2 LYS 92 80.678 9.291 -16.340 759 2HB LYS 92 HB1 LYS 92 79.883 10.246 -17.592 760 1HG LYS 92 HG2 LYS 92 81.676 11.927 -17.467 761 2HG LYS 92 HG1 LYS 92 82.470 10.995 -16.197 762 1HD LYS 92 HD2 LYS 92 82.736 9.096 -17.742 763 2HD LYS 92 HD1 LYS 92 81.926 10.012 -19.014 764 1HE LYS 92 HE2 LYS 92 83.698 11.730 -18.906 765 2HE LYS 92 HE1 LYS 92 84.511 10.808 -17.641 766 1HZ LYS 92 HZ1 LYS 92 84.760 8.969 -19.173 767 2HZ LYS 92 HZ2 LYS 92 85.457 10.373 -19.827 768 3HZ LYS 92 HZ3 LYS 92 83.948 9.830 -20.388 769 H LYS 93 HN LYS 93 78.866 9.010 -14.565 770 HA LYS 93 HA LYS 93 76.227 9.063 -15.704 771 1HB LYS 93 HB2 LYS 93 77.372 7.612 -13.303 772 2HB LYS 93 HB1 LYS 93 75.728 7.364 -13.891 773 1HG LYS 93 HG2 LYS 93 76.590 6.678 -16.082 774 2HG LYS 93 HG1 LYS 93 78.242 6.976 -15.542 775 1HD LYS 93 HD2 LYS 93 77.989 5.257 -13.795 776 2HD LYS 93 HD1 LYS 93 76.331 4.963 -14.319 777 1HE LYS 93 HE2 LYS 93 77.125 4.257 -16.526 778 2HE LYS 93 HE1 LYS 93 78.788 4.615 -16.062 779 1HZ LYS 93 HZ1 LYS 93 77.106 2.717 -14.539 780 2HZ LYS 93 HZ2 LYS 93 78.796 2.892 -14.502 781 3HZ LYS 93 HZ3 LYS 93 78.039 2.223 -15.868 782 H GLU 94 HN GLU 94 74.480 10.244 -15.080 783 HA GLU 94 HA GLU 94 74.721 11.925 -12.657 784 1HB GLU 94 HB2 GLU 94 72.700 11.858 -14.914 785 2HB GLU 94 HB1 GLU 94 72.602 12.962 -13.541 786 1HG GLU 94 HG2 GLU 94 74.742 13.954 -14.115 787 2HG GLU 94 HG1 GLU 94 74.990 12.768 -15.397 788 H VAL 95 HN VAL 95 74.316 10.512 -10.928 789 HA VAL 95 HA VAL 95 71.595 9.265 -10.914 790 HB VAL 95 HB VAL 95 73.456 7.599 -10.962 791 1HG1 VAL 95 HG11 VAL 95 74.266 8.012 -8.199 792 2HG1 VAL 95 HG12 VAL 95 74.653 9.416 -9.193 793 3HG1 VAL 95 HG13 VAL 95 75.270 7.825 -9.638 794 1HG2 VAL 95 HG21 VAL 95 72.291 7.472 -8.203 795 2HG2 VAL 95 HG22 VAL 95 72.422 6.203 -9.421 796 3HG2 VAL 95 HG23 VAL 95 71.191 7.455 -9.582 797 H ASN 96 HN ASN 96 70.819 8.944 -8.557 798 HA ASN 96 HA ASN 96 71.715 11.243 -6.871 799 1HB ASN 96 HB2 ASN 96 69.489 11.569 -8.143 800 2HB ASN 96 HB1 ASN 96 68.835 10.357 -7.041 801 1HD2 ASN 96 HD21 ASN 96 67.834 13.003 -6.938 802 2HD2 ASN 96 HD22 ASN 96 68.340 13.733 -5.492 803 HA PRO 97 HA PRO 97 72.015 7.241 -4.534 804 1HB PRO 97 HB2 PRO 97 74.022 8.928 -3.127 805 2HB PRO 97 HB1 PRO 97 74.167 7.267 -3.734 806 1HG PRO 97 HG2 PRO 97 75.368 9.270 -4.976 807 2HG PRO 97 HG1 PRO 97 74.619 7.950 -5.887 808 1HD PRO 97 HD2 PRO 97 73.583 10.733 -5.421 809 2HD PRO 97 HD1 PRO 97 73.492 9.735 -6.888 810 H GLN 98 HN GLN 98 72.810 7.781 -1.769 811 HA GLN 98 HA GLN 98 70.251 8.332 -0.624 812 1HB GLN 98 HB2 GLN 98 73.037 8.304 0.562 813 2HB GLN 98 HB1 GLN 98 71.585 8.546 1.534 814 1HG GLN 98 HG2 GLN 98 70.691 6.391 0.778 815 2HG GLN 98 HG1 GLN 98 72.101 6.150 -0.253 816 1HE2 GLN 98 HE21 GLN 98 72.077 4.112 1.346 817 2HE2 GLN 98 HE22 GLN 98 73.026 4.288 2.742 818 H VAL 99 HN VAL 99 73.200 10.298 -0.113 819 HA VAL 99 HA VAL 99 71.454 12.721 -0.305 820 HB VAL 99 HB VAL 99 73.726 12.136 1.611 821 1HG1 VAL 99 HG11 VAL 99 72.848 14.568 2.371 822 2HG1 VAL 99 HG12 VAL 99 72.568 14.699 0.634 823 3HG1 VAL 99 HG13 VAL 99 74.187 14.356 1.243 824 1HG2 VAL 99 HG21 VAL 99 71.085 11.571 1.871 825 2HG2 VAL 99 HG22 VAL 99 71.101 13.229 2.472 826 3HG2 VAL 99 HG23 VAL 99 72.114 12.005 3.236 827 H MET 100 HN MET 100 72.142 14.186 -1.798 828 HA MET 100 HA MET 100 73.466 15.068 -3.533 829 1HB MET 100 HB2 MET 100 75.433 14.707 -1.263 830 2HB MET 100 HB1 MET 100 75.868 15.505 -2.775 831 1HG MET 100 HG2 MET 100 73.544 16.336 -1.014 832 2HG MET 100 HG1 MET 100 75.127 17.110 -1.002 833 1HE MET 100 HE1 MET 100 75.643 18.971 -3.961 834 2HE MET 100 HE2 MET 100 75.834 17.290 -4.449 835 3HE MET 100 HE3 MET 100 76.309 17.789 -2.827 Start of MODEL 18 1 1H MET 1 HT1 MET 1 71.886 -4.576 2.373 2 2H MET 1 HT2 MET 1 70.377 -4.800 1.625 3 3H MET 1 HT3 MET 1 71.810 -5.087 0.759 4 HA MET 1 HA MET 1 72.355 -6.917 2.275 5 1HB MET 1 HB2 MET 1 69.560 -6.344 3.318 6 2HB MET 1 HB1 MET 1 70.574 -7.705 3.795 7 1HG MET 1 HG2 MET 1 71.292 -4.783 4.171 8 2HG MET 1 HG1 MET 1 70.699 -5.849 5.441 9 1HE MET 1 HE1 MET 1 73.263 -8.285 6.242 10 2HE MET 1 HE2 MET 1 72.446 -8.741 4.751 11 3HE MET 1 HE3 MET 1 71.549 -7.919 6.023 12 H GLY 2 HN GLY 2 69.058 -7.713 2.239 13 1HA GLY 2 HA2 GLY 2 67.700 -8.818 0.658 14 2HA GLY 2 HA1 GLY 2 68.822 -8.302 -0.600 15 H GLN 3 HN GLN 3 70.394 -9.820 1.998 16 HA GLN 3 HA GLN 3 70.364 -12.450 0.569 17 1HB GLN 3 HB2 GLN 3 72.743 -10.943 1.680 18 2HB GLN 3 HB1 GLN 3 72.799 -12.636 1.187 19 1HG GLN 3 HG2 GLN 3 72.082 -11.996 -1.090 20 2HG GLN 3 HG1 GLN 3 72.033 -10.303 -0.598 21 1HE2 GLN 3 HE21 GLN 3 73.733 -10.349 -2.533 22 2HE2 GLN 3 HE22 GLN 3 75.354 -10.544 -2.067 23 H GLU 4 HN GLU 4 70.928 -14.280 1.978 24 HA GLU 4 HA GLU 4 69.575 -14.195 4.490 25 1HB GLU 4 HB2 GLU 4 71.584 -16.165 3.361 26 2HB GLU 4 HB1 GLU 4 70.711 -16.424 4.872 27 1HG GLU 4 HG2 GLU 4 68.579 -16.354 3.725 28 2HG GLU 4 HG1 GLU 4 69.360 -15.899 2.210 29 H LEU 5 HN LEU 5 70.327 -13.830 6.562 30 HA LEU 5 HA LEU 5 72.901 -12.491 6.837 31 1HB LEU 5 HB2 LEU 5 70.800 -13.322 8.861 32 2HB LEU 5 HB1 LEU 5 72.246 -12.420 9.279 33 HG LEU 5 HG LEU 5 70.221 -11.513 7.218 34 1HD1 LEU 5 HD11 LEU 5 69.685 -9.789 9.024 35 2HD1 LEU 5 HD12 LEU 5 70.563 -10.830 10.145 36 3HD1 LEU 5 HD13 LEU 5 69.114 -11.429 9.337 37 1HD2 LEU 5 HD21 LEU 5 71.550 -9.295 7.996 38 2HD2 LEU 5 HD22 LEU 5 72.089 -10.301 6.654 39 3HD2 LEU 5 HD23 LEU 5 72.828 -10.483 8.242 40 H SER 6 HN SER 6 74.346 -14.224 6.208 41 HA SER 6 HA SER 6 74.413 -16.679 7.798 42 1HB SER 6 HB2 SER 6 76.522 -17.104 6.508 43 2HB SER 6 HB1 SER 6 75.121 -16.807 5.488 44 HG SER 6 HG SER 6 76.084 -15.101 4.747 45 H GLN 7 HN GLN 7 76.654 -17.267 8.804 46 HA GLN 7 HA GLN 7 77.157 -15.576 11.002 47 1HB GLN 7 HB2 GLN 7 77.869 -17.986 10.788 48 2HB GLN 7 HB1 GLN 7 79.174 -17.450 9.730 49 1HG GLN 7 HG2 GLN 7 80.083 -16.040 11.513 50 2HG GLN 7 HG1 GLN 7 78.746 -16.487 12.573 51 1HE2 GLN 7 HE21 GLN 7 81.530 -17.032 13.209 52 2HE2 GLN 7 HE22 GLN 7 81.723 -18.718 13.247 53 H HIS 8 HN HIS 8 78.870 -15.772 7.882 54 HA HIS 8 HA HIS 8 80.820 -13.754 8.544 55 1HB HIS 8 HB2 HIS 8 79.935 -14.178 5.716 56 2HB HIS 8 HB1 HIS 8 81.565 -13.997 6.365 57 HD2 HIS 8 HD2 HIS 8 78.789 -16.826 6.202 58 HE1 HIS 8 HE1 HIS 8 82.530 -18.628 6.969 59 HE2 HIS 8 HE2 HIS 8 80.079 -19.076 6.494 60 H GLU 9 HN GLU 9 77.699 -13.652 6.815 61 HA GLU 9 HA GLU 9 77.808 -10.866 6.195 62 1HB GLU 9 HB2 GLU 9 75.471 -12.752 6.554 63 2HB GLU 9 HB1 GLU 9 75.298 -11.091 5.980 64 1HG GLU 9 HG2 GLU 9 77.049 -13.189 4.666 65 2HG GLU 9 HG1 GLU 9 75.433 -12.747 4.114 66 H ARG 10 HN ARG 10 76.648 -12.638 9.012 67 HA ARG 10 HA ARG 10 75.448 -10.361 10.312 68 1HB ARG 10 HB2 ARG 10 76.444 -13.026 11.340 69 2HB ARG 10 HB1 ARG 10 75.694 -11.821 12.388 70 1HG ARG 10 HG2 ARG 10 73.666 -11.855 11.022 71 2HG ARG 10 HG1 ARG 10 74.412 -13.001 9.906 72 1HD ARG 10 HD2 ARG 10 74.573 -14.676 11.672 73 2HD ARG 10 HD1 ARG 10 73.943 -13.530 12.856 74 HE ARG 10 HE ARG 10 72.045 -13.739 10.750 75 1HH1 ARG 10 HH21 ARG 10 73.507 -15.596 13.259 76 2HH1 ARG 10 HH22 ARG 10 72.126 -16.616 13.491 77 1HH2 ARG 10 HH11 ARG 10 70.234 -15.060 11.038 78 2HH2 ARG 10 HH12 ARG 10 70.272 -16.312 12.234 79 H TYR 11 HN TYR 11 78.677 -11.819 10.405 80 HA TYR 11 HA TYR 11 79.714 -10.274 12.563 81 1HB TYR 11 HB2 TYR 11 80.921 -12.210 11.670 82 2HB TYR 11 HB1 TYR 11 81.139 -11.386 10.127 83 HD1 TYR 11 HD1 TYR 11 81.821 -10.966 13.786 84 HD2 TYR 11 HD2 TYR 11 83.044 -10.065 9.768 85 HE1 TYR 11 HE1 TYR 11 83.873 -9.878 14.654 86 HE2 TYR 11 HE2 TYR 11 85.096 -8.977 10.637 87 HH TYR 11 HH TYR 11 86.093 -8.162 12.505 88 H VAL 12 HN VAL 12 79.839 -9.664 9.040 89 HA VAL 12 HA VAL 12 81.118 -7.093 9.329 90 HB VAL 12 HB VAL 12 80.420 -6.758 6.959 91 1HG1 VAL 12 HG11 VAL 12 81.520 -9.520 7.567 92 2HG1 VAL 12 HG12 VAL 12 82.471 -8.034 7.527 93 3HG1 VAL 12 HG13 VAL 12 81.717 -8.639 6.052 94 1HG2 VAL 12 HG21 VAL 12 78.998 -9.377 7.458 95 2HG2 VAL 12 HG22 VAL 12 79.258 -8.692 5.855 96 3HG2 VAL 12 HG23 VAL 12 78.245 -7.845 7.025 97 H GLU 13 HN GLU 13 77.759 -8.166 9.182 98 HA GLU 13 HA GLU 13 76.561 -5.591 8.880 99 1HB GLU 13 HB2 GLU 13 75.332 -7.742 8.608 100 2HB GLU 13 HB1 GLU 13 75.459 -8.009 10.347 101 1HG GLU 13 HG2 GLU 13 74.207 -5.938 10.776 102 2HG GLU 13 HG1 GLU 13 74.109 -5.626 9.043 103 H GLN 14 HN GLN 14 77.561 -7.428 11.760 104 HA GLN 14 HA GLN 14 76.501 -5.568 13.673 105 1HB GLN 14 HB2 GLN 14 77.271 -7.914 14.190 106 2HB GLN 14 HB1 GLN 14 78.932 -7.349 14.007 107 1HG GLN 14 HG2 GLN 14 78.634 -5.741 15.815 108 2HG GLN 14 HG1 GLN 14 76.929 -6.170 15.952 109 1HE2 GLN 14 HE21 GLN 14 78.865 -6.463 18.122 110 2HE2 GLN 14 HE22 GLN 14 78.978 -8.120 18.472 111 H LEU 15 HN LEU 15 79.586 -5.786 11.948 112 HA LEU 15 HA LEU 15 80.947 -3.766 13.413 113 1HB LEU 15 HB2 LEU 15 82.078 -5.277 11.790 114 2HB LEU 15 HB1 LEU 15 81.226 -4.477 10.470 115 HG LEU 15 HG LEU 15 82.303 -2.334 11.064 116 1HD1 LEU 15 HD11 LEU 15 84.355 -2.748 12.710 117 2HD1 LEU 15 HD12 LEU 15 83.294 -4.007 13.339 118 3HD1 LEU 15 HD13 LEU 15 82.762 -2.324 13.335 119 1HD2 LEU 15 HD21 LEU 15 84.429 -2.841 10.164 120 2HD2 LEU 15 HD22 LEU 15 83.384 -4.121 9.548 121 3HD2 LEU 15 HD23 LEU 15 84.459 -4.438 10.910 122 H LYS 16 HN LYS 16 78.869 -3.589 10.539 123 HA LYS 16 HA LYS 16 79.148 -0.795 10.063 124 1HB LYS 16 HB2 LYS 16 78.083 -2.406 8.482 125 2HB LYS 16 HB1 LYS 16 76.702 -2.517 9.572 126 1HG LYS 16 HG2 LYS 16 76.310 -0.093 9.333 127 2HG LYS 16 HG1 LYS 16 77.703 0.029 8.258 128 1HD LYS 16 HD2 LYS 16 76.619 -1.516 6.671 129 2HD LYS 16 HD1 LYS 16 75.224 -1.641 7.744 130 1HE LYS 16 HE2 LYS 16 74.823 0.780 7.519 131 2HE LYS 16 HE1 LYS 16 76.225 0.921 6.458 132 1HZ LYS 16 HZ1 LYS 16 74.767 0.543 4.830 133 2HZ LYS 16 HZ2 LYS 16 73.576 -0.049 5.886 134 3HZ LYS 16 HZ3 LYS 16 74.804 -1.079 5.322 135 H GLN 17 HN GLN 17 77.005 -2.612 12.225 136 HA GLN 17 HA GLN 17 75.279 -0.491 12.968 137 1HB GLN 17 HB2 GLN 17 76.309 -2.843 14.582 138 2HB GLN 17 HB1 GLN 17 75.018 -1.772 15.126 139 1HG GLN 17 HG2 GLN 17 73.691 -2.342 13.130 140 2HG GLN 17 HG1 GLN 17 74.982 -3.402 12.572 141 1HE2 GLN 17 HE21 GLN 17 72.801 -4.854 12.830 142 2HE2 GLN 17 HE22 GLN 17 72.710 -5.696 14.302 143 H ALA 18 HN ALA 18 78.364 -1.533 14.444 144 HA ALA 18 HA ALA 18 78.414 0.607 16.378 145 1HB ALA 18 HB1 ALA 18 79.928 -1.682 15.881 146 2HB ALA 18 HB2 ALA 18 80.245 -0.480 17.132 147 3HB ALA 18 HB3 ALA 18 81.048 -0.355 15.567 148 H LEU 19 HN LEU 19 79.801 0.202 13.131 149 HA LEU 19 HA LEU 19 81.281 2.647 13.127 150 1HB LEU 19 HB2 LEU 19 81.538 0.780 11.444 151 2HB LEU 19 HB1 LEU 19 80.004 1.277 10.740 152 HG LEU 19 HG LEU 19 80.951 3.545 10.365 153 1HD1 LEU 19 HD11 LEU 19 83.663 3.254 10.439 154 2HD1 LEU 19 HD12 LEU 19 83.187 2.334 11.861 155 3HD1 LEU 19 HD13 LEU 19 82.719 4.027 11.710 156 1HD2 LEU 19 HD21 LEU 19 82.955 2.359 8.842 157 2HD2 LEU 19 HD22 LEU 19 81.283 2.600 8.342 158 3HD2 LEU 19 HD23 LEU 19 81.773 1.072 9.069 159 H LYS 20 HN LYS 20 77.943 1.894 12.259 160 HA LYS 20 HA LYS 20 77.273 4.444 11.171 161 1HB LYS 20 HB2 LYS 20 75.850 2.392 10.975 162 2HB LYS 20 HB1 LYS 20 75.453 2.546 12.687 163 1HG LYS 20 HG2 LYS 20 74.505 4.789 12.266 164 2HG LYS 20 HG1 LYS 20 74.893 4.627 10.557 165 1HD LYS 20 HD2 LYS 20 73.433 2.648 10.401 166 2HD LYS 20 HD1 LYS 20 73.031 2.816 12.110 167 1HE LYS 20 HE2 LYS 20 72.085 5.051 11.675 168 2HE LYS 20 HE1 LYS 20 72.491 4.893 9.966 169 1HZ LYS 20 HZ1 LYS 20 71.104 2.815 10.001 170 2HZ LYS 20 HZ2 LYS 20 70.247 4.271 10.175 171 3HZ LYS 20 HZ3 LYS 20 70.551 3.293 11.531 172 H THR 21 HN THR 21 77.216 3.183 14.488 173 HA THR 21 HA THR 21 75.941 5.424 15.704 174 HB THR 21 HB THR 21 76.948 4.612 17.801 175 HG1 THR 21 HG1 THR 21 78.247 2.503 17.090 176 1HG2 THR 21 HG21 THR 21 75.183 3.208 17.524 177 2HG2 THR 21 HG22 THR 21 76.420 2.003 17.169 178 3HG2 THR 21 HG23 THR 21 75.609 2.848 15.853 179 H ARG 22 HN ARG 22 79.238 4.891 14.641 180 HA ARG 22 HA ARG 22 80.409 7.091 16.090 181 1HB ARG 22 HB2 ARG 22 81.259 5.591 13.609 182 2HB ARG 22 HB1 ARG 22 82.222 6.886 14.313 183 1HG ARG 22 HG2 ARG 22 82.280 5.655 16.463 184 2HG ARG 22 HG1 ARG 22 81.352 4.348 15.728 185 1HD ARG 22 HD2 ARG 22 83.145 4.002 14.069 186 2HD ARG 22 HD1 ARG 22 84.076 5.306 14.800 187 HE ARG 22 HE ARG 22 83.719 2.607 15.908 188 1HH1 ARG 22 HH21 ARG 22 84.567 5.914 16.397 189 2HH1 ARG 22 HH22 ARG 22 85.515 5.599 17.810 190 1HH2 ARG 22 HH11 ARG 22 84.953 2.179 17.751 191 2HH2 ARG 22 HH12 ARG 22 85.734 3.486 18.577 192 H GLY 23 HN GLY 23 78.373 6.906 13.336 193 1HA GLY 23 HA2 GLY 23 77.329 9.072 12.658 194 2HA GLY 23 HA1 GLY 23 78.934 9.790 12.747 195 H VAL 24 HN VAL 24 77.917 6.699 11.306 196 HA VAL 24 HA VAL 24 78.920 7.723 8.674 197 HB VAL 24 HB VAL 24 79.272 5.035 9.989 198 1HG1 VAL 24 HG11 VAL 24 80.450 4.653 7.620 199 2HG1 VAL 24 HG12 VAL 24 79.205 5.786 7.098 200 3HG1 VAL 24 HG13 VAL 24 78.748 4.268 7.878 201 1HG2 VAL 24 HG21 VAL 24 81.011 6.675 10.471 202 2HG2 VAL 24 HG22 VAL 24 81.155 7.079 8.761 203 3HG2 VAL 24 HG23 VAL 24 81.664 5.496 9.335 204 H LYS 25 HN LYS 25 77.552 7.429 6.954 205 HA LYS 25 HA LYS 25 75.212 5.615 7.323 206 1HB LYS 25 HB2 LYS 25 75.148 8.478 6.355 207 2HB LYS 25 HB1 LYS 25 73.785 7.365 6.240 208 1HG LYS 25 HG2 LYS 25 73.920 7.049 8.731 209 2HG LYS 25 HG1 LYS 25 75.143 8.316 8.778 210 1HD LYS 25 HD2 LYS 25 72.357 8.676 7.635 211 2HD LYS 25 HD1 LYS 25 72.830 9.158 9.264 212 1HE LYS 25 HE2 LYS 25 74.728 10.490 8.086 213 2HE LYS 25 HE1 LYS 25 73.759 10.285 6.627 214 1HZ LYS 25 HZ1 LYS 25 72.664 12.068 7.312 215 2HZ LYS 25 HZ2 LYS 25 73.319 11.993 8.878 216 3HZ LYS 25 HZ3 LYS 25 71.950 11.068 8.483 217 H VAL 26 HN VAL 26 75.900 4.102 5.824 218 HA VAL 26 HA VAL 26 76.125 5.072 3.010 219 HB VAL 26 HB VAL 26 77.912 3.306 2.685 220 1HG1 VAL 26 HG11 VAL 26 79.571 4.778 4.247 221 2HG1 VAL 26 HG12 VAL 26 78.178 5.847 4.195 222 3HG1 VAL 26 HG13 VAL 26 78.949 5.346 2.700 223 1HG2 VAL 26 HG21 VAL 26 77.912 3.393 5.719 224 2HG2 VAL 26 HG22 VAL 26 79.090 2.546 4.717 225 3HG2 VAL 26 HG23 VAL 26 77.406 2.020 4.736 226 H LYS 27 HN LYS 27 75.759 3.266 1.433 227 HA LYS 27 HA LYS 27 73.413 1.755 2.206 228 1HB LYS 27 HB2 LYS 27 75.140 1.621 -0.283 229 2HB LYS 27 HB1 LYS 27 73.593 0.795 -0.092 230 1HG LYS 27 HG2 LYS 27 72.501 2.997 0.322 231 2HG LYS 27 HG1 LYS 27 74.050 3.791 0.033 232 1HD LYS 27 HD2 LYS 27 74.120 2.852 -2.246 233 2HD LYS 27 HD1 LYS 27 72.576 2.047 -1.961 234 1HE LYS 27 HE2 LYS 27 71.474 4.208 -1.633 235 2HE LYS 27 HE1 LYS 27 73.013 5.046 -1.838 236 1HZ LYS 27 HZ1 LYS 27 71.569 4.941 -3.860 237 2HZ LYS 27 HZ2 LYS 27 71.851 3.265 -3.903 238 3HZ LYS 27 HZ3 LYS 27 73.145 4.353 -4.075 239 H TYR 28 HN TYR 28 73.236 -0.501 2.511 240 HA TYR 28 HA TYR 28 75.450 -1.796 3.768 241 1HB TYR 28 HB2 TYR 28 72.920 -2.985 2.587 242 2HB TYR 28 HB1 TYR 28 74.035 -3.842 3.651 243 HD1 TYR 28 HD1 TYR 28 74.138 -3.371 6.020 244 HD2 TYR 28 HD2 TYR 28 71.600 -1.066 3.432 245 HE1 TYR 28 HE1 TYR 28 73.005 -2.395 7.999 246 HE2 TYR 28 HE2 TYR 28 70.467 -0.092 5.411 247 HH TYR 28 HH TYR 28 70.901 -1.340 8.577 248 H ALA 29 HN ALA 29 74.181 -1.934 0.465 249 HA ALA 29 HA ALA 29 75.695 -4.118 -0.500 250 1HB ALA 29 HB1 ALA 29 73.926 -2.999 -1.817 251 2HB ALA 29 HB2 ALA 29 75.433 -3.089 -2.728 252 3HB ALA 29 HB3 ALA 29 74.949 -1.571 -1.973 253 H ASP 30 HN ASP 30 76.619 -0.752 0.045 254 HA ASP 30 HA ASP 30 79.108 -0.790 -1.343 255 1HB ASP 30 HB2 ASP 30 78.216 0.751 1.109 256 2HB ASP 30 HB1 ASP 30 79.742 1.042 0.281 257 H LEU 31 HN LEU 31 78.240 -1.762 1.968 258 HA LEU 31 HA LEU 31 80.901 -2.281 2.868 259 1HB LEU 31 HB2 LEU 31 78.170 -3.259 3.667 260 2HB LEU 31 HB1 LEU 31 79.594 -4.008 4.380 261 HG LEU 31 HG LEU 31 78.684 -2.079 5.721 262 1HD1 LEU 31 HD11 LEU 31 81.295 -2.771 5.232 263 2HD1 LEU 31 HD12 LEU 31 80.793 -1.581 6.426 264 3HD1 LEU 31 HD13 LEU 31 81.306 -1.059 4.824 265 1HD2 LEU 31 HD21 LEU 31 78.772 0.137 4.878 266 2HD2 LEU 31 HD22 LEU 31 78.077 -0.804 3.559 267 3HD2 LEU 31 HD23 LEU 31 79.776 -0.332 3.508 268 H LEU 32 HN LEU 32 78.511 -4.372 1.262 269 HA LEU 32 HA LEU 32 80.126 -6.744 1.297 270 1HB LEU 32 HB2 LEU 32 77.951 -5.836 -0.614 271 2HB LEU 32 HB1 LEU 32 78.654 -7.448 -0.628 272 HG LEU 32 HG LEU 32 77.341 -6.189 1.798 273 1HD1 LEU 32 HD11 LEU 32 76.255 -8.239 -0.155 274 2HD1 LEU 32 HD12 LEU 32 75.703 -6.571 -0.009 275 3HD1 LEU 32 HD13 LEU 32 75.453 -7.703 1.321 276 1HD2 LEU 32 HD21 LEU 32 78.599 -7.854 2.743 277 2HD2 LEU 32 HD22 LEU 32 78.755 -8.746 1.233 278 3HD2 LEU 32 HD23 LEU 32 77.275 -8.872 2.179 279 H LYS 33 HN LYS 33 79.816 -4.105 -1.072 280 HA LYS 33 HA LYS 33 81.610 -5.251 -3.003 281 1HB LYS 33 HB2 LYS 33 80.821 -2.372 -2.468 282 2HB LYS 33 HB1 LYS 33 81.774 -2.895 -3.857 283 1HG LYS 33 HG2 LYS 33 79.958 -4.352 -4.604 284 2HG LYS 33 HG1 LYS 33 79.005 -3.928 -3.181 285 1HD LYS 33 HD2 LYS 33 78.935 -1.585 -3.894 286 2HD LYS 33 HD1 LYS 33 79.940 -1.963 -5.295 287 1HE LYS 33 HE2 LYS 33 78.191 -3.518 -6.113 288 2HE LYS 33 HE1 LYS 33 77.183 -3.097 -4.728 289 1HZ LYS 33 HZ1 LYS 33 78.072 -1.320 -6.928 290 2HZ LYS 33 HZ2 LYS 33 77.366 -0.738 -5.496 291 3HZ LYS 33 HZ3 LYS 33 76.483 -1.760 -6.528 292 H PHE 34 HN PHE 34 82.085 -3.344 -0.088 293 HA PHE 34 HA PHE 34 84.772 -2.519 -0.556 294 1HB PHE 34 HB2 PHE 34 83.414 -1.652 1.306 295 2HB PHE 34 HB1 PHE 34 83.420 -3.237 2.064 296 HD1 PHE 34 HD1 PHE 34 85.898 -0.825 0.589 297 HD2 PHE 34 HD2 PHE 34 84.990 -3.588 3.752 298 HE1 PHE 34 HE1 PHE 34 88.066 -0.303 1.668 299 HE2 PHE 34 HE2 PHE 34 87.159 -3.066 4.830 300 HZ PHE 34 HZ PHE 34 88.699 -1.424 3.788 301 H PHE 35 HN PHE 35 83.525 -5.415 1.146 302 HA PHE 35 HA PHE 35 86.090 -6.566 1.650 303 1HB PHE 35 HB2 PHE 35 83.376 -7.866 1.280 304 2HB PHE 35 HB1 PHE 35 84.808 -8.719 1.856 305 HD1 PHE 35 HD1 PHE 35 86.050 -7.675 3.901 306 HD2 PHE 35 HD2 PHE 35 82.003 -6.735 2.810 307 HE1 PHE 35 HE1 PHE 35 85.621 -6.850 6.200 308 HE2 PHE 35 HE2 PHE 35 81.574 -5.909 5.107 309 HZ PHE 35 HZ PHE 35 83.383 -5.966 6.804 310 H ASP 36 HN ASP 36 83.794 -7.075 -1.037 311 HA ASP 36 HA ASP 36 85.453 -8.958 -2.434 312 1HB ASP 36 HB2 ASP 36 83.148 -7.179 -3.213 313 2HB ASP 36 HB1 ASP 36 84.042 -8.053 -4.455 314 H PHE 37 HN PHE 37 85.207 -5.432 -2.537 315 HA PHE 37 HA PHE 37 86.891 -4.998 -4.786 316 1HB PHE 37 HB2 PHE 37 85.515 -3.215 -3.774 317 2HB PHE 37 HB1 PHE 37 86.530 -3.254 -2.333 318 HD1 PHE 37 HD1 PHE 37 88.324 -1.762 -2.205 319 HD2 PHE 37 HD2 PHE 37 86.856 -2.953 -6.063 320 HE1 PHE 37 HE1 PHE 37 89.924 -0.210 -3.290 321 HE2 PHE 37 HE2 PHE 37 88.454 -1.397 -7.149 322 HZ PHE 37 HZ PHE 37 89.990 -0.032 -5.764 323 H VAL 38 HN VAL 38 87.663 -5.211 -1.308 324 HA VAL 38 HA VAL 38 90.451 -4.703 -1.563 325 HB VAL 38 HB VAL 38 88.958 -6.398 0.460 326 1HG1 VAL 38 HG11 VAL 38 91.806 -5.882 0.052 327 2HG1 VAL 38 HG12 VAL 38 91.019 -7.030 1.135 328 3HG1 VAL 38 HG13 VAL 38 91.253 -5.357 1.640 329 1HG2 VAL 38 HG21 VAL 38 88.420 -4.455 1.489 330 2HG2 VAL 38 HG22 VAL 38 88.873 -3.656 -0.016 331 3HG2 VAL 38 HG23 VAL 38 90.051 -3.814 1.288 332 H LYS 39 HN LYS 39 88.687 -7.817 -1.495 333 HA LYS 39 HA LYS 39 91.045 -9.420 -1.949 334 1HB LYS 39 HB2 LYS 39 88.103 -9.986 -2.421 335 2HB LYS 39 HB1 LYS 39 89.379 -11.193 -2.577 336 1HG LYS 39 HG2 LYS 39 90.018 -10.867 -0.236 337 2HG LYS 39 HG1 LYS 39 88.804 -9.598 -0.062 338 1HD LYS 39 HD2 LYS 39 87.020 -11.214 -0.546 339 2HD LYS 39 HD1 LYS 39 88.217 -12.489 -0.768 340 1HE LYS 39 HE2 LYS 39 88.963 -12.178 1.576 341 2HE LYS 39 HE1 LYS 39 87.729 -10.935 1.792 342 1HZ LYS 39 HZ1 LYS 39 87.343 -13.517 2.324 343 2HZ LYS 39 HZ2 LYS 39 86.788 -13.459 0.720 344 3HZ LYS 39 HZ3 LYS 39 86.095 -12.451 1.900 345 H ASP 40 HN ASP 40 88.852 -7.694 -4.037 346 HA ASP 40 HA ASP 40 89.749 -9.012 -6.453 347 1HB ASP 40 HB2 ASP 40 88.186 -6.458 -6.014 348 2HB ASP 40 HB1 ASP 40 88.513 -7.147 -7.591 349 H THR 41 HN THR 41 90.875 -6.414 -4.488 350 HA THR 41 HA THR 41 92.089 -4.725 -6.332 351 HB THR 41 HB THR 41 93.444 -5.502 -3.752 352 HG1 THR 41 HG1 THR 41 91.142 -3.908 -4.184 353 1HG2 THR 41 HG21 THR 41 93.120 -2.681 -4.553 354 2HG2 THR 41 HG22 THR 41 94.101 -3.645 -5.658 355 3HG2 THR 41 HG23 THR 41 94.549 -3.526 -3.954 356 H CYS 42 HN CYS 42 93.817 -7.334 -4.642 357 HA CYS 42 HA CYS 42 95.815 -7.289 -6.835 358 1HB CYS 42 HB2 CYS 42 97.207 -7.363 -5.054 359 2HB CYS 42 HB1 CYS 42 95.912 -7.778 -3.958 360 HG CYS 42 HG CYS 42 96.486 -10.213 -4.174 361 HA PRO 43 HA PRO 43 94.775 -12.066 -6.050 362 1HB PRO 43 HB2 PRO 43 91.902 -11.546 -5.444 363 2HB PRO 43 HB1 PRO 43 92.945 -12.847 -4.867 364 1HG PRO 43 HG2 PRO 43 92.394 -10.821 -3.264 365 2HG PRO 43 HG1 PRO 43 94.010 -11.513 -3.321 366 1HD PRO 43 HD2 PRO 43 93.071 -8.921 -4.458 367 2HD PRO 43 HD1 PRO 43 94.611 -9.386 -3.781 368 H TRP 44 HN TRP 44 92.230 -9.875 -7.280 369 HA TRP 44 HA TRP 44 92.678 -10.588 -10.002 370 1HB TRP 44 HB2 TRP 44 91.204 -12.268 -10.457 371 2HB TRP 44 HB1 TRP 44 91.393 -12.646 -8.751 372 HD1 TRP 44 HD1 TRP 44 89.049 -10.771 -11.134 373 HE1 TRP 44 HE1 TRP 44 86.749 -10.566 -10.002 374 HE3 TRP 44 HE3 TRP 44 90.147 -12.687 -6.531 375 HZ2 TRP 44 HZ2 TRP 44 85.521 -11.135 -7.479 376 HZ3 TRP 44 HZ3 TRP 44 88.396 -12.843 -4.783 377 HH2 TRP 44 HH2 TRP 44 86.087 -12.072 -5.251 378 H PHE 45 HN PHE 45 91.790 -8.956 -11.210 379 HA PHE 45 HA PHE 45 89.850 -7.190 -9.849 380 1HB PHE 45 HB2 PHE 45 92.136 -6.706 -11.491 381 2HB PHE 45 HB1 PHE 45 90.709 -5.948 -12.194 382 HD1 PHE 45 HD1 PHE 45 89.062 -4.968 -10.188 383 HD2 PHE 45 HD2 PHE 45 93.343 -5.311 -10.066 384 HE1 PHE 45 HE1 PHE 45 89.157 -3.190 -8.464 385 HE2 PHE 45 HE2 PHE 45 93.437 -3.533 -8.342 386 HZ PHE 45 HZ PHE 45 91.343 -2.471 -7.539 387 HA PRO 46 HA PRO 46 87.128 -8.960 -13.089 388 1HB PRO 46 HB2 PRO 46 84.789 -8.608 -11.730 389 2HB PRO 46 HB1 PRO 46 85.876 -9.974 -11.434 390 1HG PRO 46 HG2 PRO 46 85.397 -7.557 -9.817 391 2HG PRO 46 HG1 PRO 46 85.919 -9.166 -9.313 392 1HD PRO 46 HD2 PRO 46 87.565 -6.894 -9.646 393 2HD PRO 46 HD1 PRO 46 88.100 -8.574 -9.406 394 H GLN 47 HN GLN 47 84.612 -7.902 -13.544 395 HA GLN 47 HA GLN 47 85.277 -5.179 -14.489 396 1HB GLN 47 HB2 GLN 47 82.887 -6.981 -14.994 397 2HB GLN 47 HB1 GLN 47 83.096 -5.383 -15.714 398 1HG GLN 47 HG2 GLN 47 85.039 -7.691 -16.025 399 2HG GLN 47 HG1 GLN 47 83.852 -7.202 -17.234 400 1HE2 GLN 47 HE21 GLN 47 87.054 -6.949 -16.719 401 2HE2 GLN 47 HE22 GLN 47 87.358 -5.400 -17.343 402 H GLU 48 HN GLU 48 84.689 -3.431 -13.314 403 HA GLU 48 HA GLU 48 82.701 -3.783 -11.139 404 1HB GLU 48 HB2 GLU 48 84.881 -2.735 -10.601 405 2HB GLU 48 HB1 GLU 48 84.529 -1.445 -11.752 406 1HG GLU 48 HG2 GLU 48 82.617 -0.722 -10.468 407 2HG GLU 48 HG1 GLU 48 82.744 -2.119 -9.398 408 H GLY 49 HN GLY 49 80.941 -2.253 -10.897 409 1HA GLY 49 HA2 GLY 49 79.999 -1.220 -13.530 410 2HA GLY 49 HA1 GLY 49 78.962 -1.588 -12.156 411 H THR 50 HN THR 50 78.721 -0.031 -10.509 412 HA THR 50 HA THR 50 80.123 2.575 -10.949 413 HB THR 50 HB THR 50 77.177 2.122 -10.428 414 HG1 THR 50 HG1 THR 50 77.039 3.339 -12.369 415 1HG2 THR 50 HG21 THR 50 77.116 4.664 -10.486 416 2HG2 THR 50 HG22 THR 50 78.867 4.622 -10.286 417 3HG2 THR 50 HG23 THR 50 77.820 3.957 -9.033 418 H ILE 51 HN ILE 51 80.851 3.541 -9.087 419 HA ILE 51 HA ILE 51 80.186 2.137 -6.530 420 HB ILE 51 HB ILE 51 82.646 2.385 -7.621 421 1HG1 ILE 51 HG12 ILE 51 82.107 1.075 -5.629 422 2HG1 ILE 51 HG11 ILE 51 83.511 2.087 -5.298 423 1HG2 ILE 51 HG21 ILE 51 83.842 4.239 -6.646 424 2HG2 ILE 51 HG22 ILE 51 82.448 4.752 -5.721 425 3HG2 ILE 51 HG23 ILE 51 82.449 4.904 -7.478 426 1HD1 ILE 51 HD11 ILE 51 82.218 2.484 -3.402 427 2HD1 ILE 51 HD12 ILE 51 80.706 2.358 -4.281 428 3HD1 ILE 51 HD13 ILE 51 81.696 3.798 -4.431 429 H ASP 52 HN ASP 52 79.440 3.378 -4.817 430 HA ASP 52 HA ASP 52 78.373 5.994 -5.382 431 1HB ASP 52 HB2 ASP 52 78.681 4.343 -2.866 432 2HB ASP 52 HB1 ASP 52 78.031 5.983 -2.815 433 H ILE 53 HN ILE 53 79.239 8.000 -4.961 434 HA ILE 53 HA ILE 53 82.083 8.197 -4.463 435 HB ILE 53 HB ILE 53 79.921 10.325 -4.515 436 1HG1 ILE 53 HG12 ILE 53 81.998 9.639 -6.608 437 2HG1 ILE 53 HG11 ILE 53 80.370 8.961 -6.623 438 1HG2 ILE 53 HG21 ILE 53 82.338 11.498 -5.183 439 2HG2 ILE 53 HG22 ILE 53 82.778 10.404 -3.872 440 3HG2 ILE 53 HG23 ILE 53 81.541 11.630 -3.614 441 1HD1 ILE 53 HD11 ILE 53 79.371 11.017 -7.068 442 2HD1 ILE 53 HD12 ILE 53 80.879 11.169 -7.969 443 3HD1 ILE 53 HD13 ILE 53 80.716 11.934 -6.389 444 H LYS 54 HN LYS 54 79.219 8.384 -2.463 445 HA LYS 54 HA LYS 54 80.388 9.738 -0.228 446 1HB LYS 54 HB2 LYS 54 78.118 7.742 -0.402 447 2HB LYS 54 HB1 LYS 54 78.544 8.596 1.080 448 1HG LYS 54 HG2 LYS 54 78.253 10.761 -0.162 449 2HG LYS 54 HG1 LYS 54 77.660 9.839 -1.540 450 1HD LYS 54 HD2 LYS 54 76.444 9.740 1.237 451 2HD LYS 54 HD1 LYS 54 75.817 10.718 -0.090 452 1HE LYS 54 HE2 LYS 54 75.815 8.454 -1.413 453 2HE LYS 54 HE1 LYS 54 75.867 7.725 0.191 454 1HZ LYS 54 HZ1 LYS 54 73.619 8.425 -1.026 455 2HZ LYS 54 HZ2 LYS 54 73.937 9.858 -0.171 456 3HZ LYS 54 HZ3 LYS 54 73.789 8.384 0.660 457 H PHE 55 HN PHE 55 80.175 6.294 -1.076 458 HA PHE 55 HA PHE 55 81.486 5.436 1.361 459 1HB PHE 55 HB2 PHE 55 79.907 4.031 -0.042 460 2HB PHE 55 HB1 PHE 55 81.226 3.859 -1.201 461 HD1 PHE 55 HD1 PHE 55 82.962 2.290 -0.848 462 HD2 PHE 55 HD2 PHE 55 80.302 3.295 2.372 463 HE1 PHE 55 HE1 PHE 55 83.929 0.466 0.519 464 HE2 PHE 55 HE2 PHE 55 81.269 1.466 3.741 465 HZ PHE 55 HZ PHE 55 83.081 0.055 2.819 466 H TRP 56 HN TRP 56 82.575 6.698 -1.625 467 HA TRP 56 HA TRP 56 85.076 5.397 -1.863 468 1HB TRP 56 HB2 TRP 56 84.314 6.765 -3.690 469 2HB TRP 56 HB1 TRP 56 84.209 8.179 -2.649 470 HD1 TRP 56 HD1 TRP 56 87.172 5.742 -2.707 471 HE1 TRP 56 HE1 TRP 56 89.277 7.034 -3.413 472 HE3 TRP 56 HE3 TRP 56 85.092 10.266 -3.835 473 HZ2 TRP 56 HZ2 TRP 56 89.993 9.646 -4.338 474 HZ3 TRP 56 HZ3 TRP 56 86.506 12.138 -4.626 475 HH2 TRP 56 HH2 TRP 56 88.953 11.834 -4.880 476 H ARG 57 HN ARG 57 84.092 8.176 0.077 477 HA ARG 57 HA ARG 57 86.673 9.015 0.913 478 1HB ARG 57 HB2 ARG 57 83.985 9.110 2.308 479 2HB ARG 57 HB1 ARG 57 85.434 9.872 2.962 480 1HG ARG 57 HG2 ARG 57 85.323 11.590 1.495 481 2HG ARG 57 HG1 ARG 57 84.985 10.514 0.138 482 1HD ARG 57 HD2 ARG 57 83.099 12.086 0.637 483 2HD ARG 57 HD1 ARG 57 82.641 10.383 0.754 484 HE ARG 57 HE ARG 57 82.350 10.671 3.092 485 1HH1 ARG 57 HH21 ARG 57 83.985 13.324 1.614 486 2HH1 ARG 57 HH22 ARG 57 83.907 14.328 3.023 487 1HH2 ARG 57 HH11 ARG 57 82.240 11.967 4.939 488 2HH2 ARG 57 HH12 ARG 57 82.920 13.560 4.905 489 H ARG 58 HN ARG 58 84.468 6.603 2.346 490 HA ARG 58 HA ARG 58 86.172 5.954 4.559 491 1HB ARG 58 HB2 ARG 58 83.988 4.425 3.129 492 2HB ARG 58 HB1 ARG 58 84.839 3.768 4.527 493 1HG ARG 58 HG2 ARG 58 83.684 5.072 5.962 494 2HG ARG 58 HG1 ARG 58 83.949 6.513 4.979 495 1HD ARG 58 HD2 ARG 58 82.115 5.906 3.513 496 2HD ARG 58 HD1 ARG 58 81.888 4.384 4.358 497 HE ARG 58 HE ARG 58 80.822 5.573 6.124 498 1HH1 ARG 58 HH21 ARG 58 82.343 7.633 3.816 499 2HH1 ARG 58 HH22 ARG 58 81.612 9.078 4.427 500 1HH2 ARG 58 HH11 ARG 58 79.862 7.450 6.938 501 2HH2 ARG 58 HH12 ARG 58 80.208 8.974 6.195 502 H VAL 59 HN VAL 59 85.915 4.633 1.275 503 HA VAL 59 HA VAL 59 87.749 2.470 1.654 504 HB VAL 59 HB VAL 59 86.870 4.035 -0.777 505 1HG1 VAL 59 HG11 VAL 59 88.026 1.983 -1.958 506 2HG1 VAL 59 HG12 VAL 59 89.012 1.949 -0.496 507 3HG1 VAL 59 HG13 VAL 59 88.989 3.392 -1.510 508 1HG2 VAL 59 HG21 VAL 59 85.688 2.002 0.689 509 2HG2 VAL 59 HG22 VAL 59 86.475 1.125 -0.624 510 3HG2 VAL 59 HG23 VAL 59 85.309 2.399 -0.986 511 H GLY 60 HN GLY 60 88.239 5.826 0.572 512 1HA GLY 60 HA2 GLY 60 91.042 5.584 0.066 513 2HA GLY 60 HA1 GLY 60 90.207 7.095 0.432 514 H ASP 61 HN ASP 61 89.267 6.631 2.991 515 HA ASP 61 HA ASP 61 91.645 7.029 4.565 516 1HB ASP 61 HB2 ASP 61 88.715 6.720 5.165 517 2HB ASP 61 HB1 ASP 61 89.878 6.660 6.490 518 H CYS 62 HN CYS 62 89.428 4.279 4.189 519 HA CYS 62 HA CYS 62 90.643 2.612 6.161 520 1HB CYS 62 HB2 CYS 62 88.911 2.146 3.762 521 2HB CYS 62 HB1 CYS 62 89.698 0.759 4.510 522 HG CYS 62 HG CYS 62 87.278 2.106 5.614 523 H PHE 63 HN PHE 63 91.141 2.706 2.615 524 HA PHE 63 HA PHE 63 93.204 0.767 2.519 525 1HB PHE 63 HB2 PHE 63 92.358 3.039 0.780 526 2HB PHE 63 HB1 PHE 63 93.943 2.325 0.482 527 HD1 PHE 63 HD1 PHE 63 93.519 1.189 -1.575 528 HD2 PHE 63 HD2 PHE 63 90.947 0.545 1.804 529 HE1 PHE 63 HE1 PHE 63 92.448 -0.717 -2.749 530 HE2 PHE 63 HE2 PHE 63 89.883 -1.355 0.636 531 HZ PHE 63 HZ PHE 63 90.629 -1.988 -1.641 532 H GLN 64 HN GLN 64 93.412 4.292 2.978 533 HA GLN 64 HA GLN 64 96.227 4.514 3.023 534 1HB GLN 64 HB2 GLN 64 94.710 6.467 3.043 535 2HB GLN 64 HB1 GLN 64 94.204 6.055 4.681 536 1HG GLN 64 HG2 GLN 64 96.462 6.393 5.519 537 2HG GLN 64 HG1 GLN 64 97.066 6.656 3.883 538 1HE2 GLN 64 HE21 GLN 64 97.412 8.853 3.546 539 2HE2 GLN 64 HE22 GLN 64 96.416 10.100 4.124 540 H ASP 65 HN ASP 65 93.962 3.647 5.627 541 HA ASP 65 HA ASP 65 95.945 3.562 7.705 542 1HB ASP 65 HB2 ASP 65 93.180 2.435 7.355 543 2HB ASP 65 HB1 ASP 65 94.166 1.908 8.720 544 H TYR 66 HN TYR 66 94.623 1.064 5.542 545 HA TYR 66 HA TYR 66 96.098 -1.126 6.643 546 1HB TYR 66 HB2 TYR 66 94.906 -0.605 3.918 547 2HB TYR 66 HB1 TYR 66 95.782 -2.091 4.273 548 HD1 TYR 66 HD1 TYR 66 95.081 -3.254 6.572 549 HD2 TYR 66 HD2 TYR 66 92.599 -0.581 4.308 550 HE1 TYR 66 HE1 TYR 66 93.065 -4.192 7.670 551 HE2 TYR 66 HE2 TYR 66 90.585 -1.517 5.402 552 HH TYR 66 HH TYR 66 90.830 -4.247 7.667 553 H TYR 67 HN TYR 67 96.911 1.324 4.218 554 HA TYR 67 HA TYR 67 99.287 0.139 3.222 555 1HB TYR 67 HB2 TYR 67 98.677 2.016 2.006 556 2HB TYR 67 HB1 TYR 67 98.256 2.938 3.447 557 HD1 TYR 67 HD1 TYR 67 99.719 4.626 4.119 558 HD2 TYR 67 HD2 TYR 67 101.247 1.289 1.894 559 HE1 TYR 67 HE1 TYR 67 101.973 5.659 4.108 560 HE2 TYR 67 HE2 TYR 67 103.502 2.317 1.889 561 HH TYR 67 HH TYR 67 104.688 4.137 2.379 562 H ASN 68 HN ASN 68 98.959 2.565 5.832 563 HA ASN 68 HA ASN 68 101.714 2.398 6.620 564 1HB ASN 68 HB2 ASN 68 99.213 3.407 7.971 565 2HB ASN 68 HB1 ASN 68 100.757 3.376 8.824 566 1HD2 ASN 68 HD21 ASN 68 99.543 5.870 8.277 567 2HD2 ASN 68 HD22 ASN 68 100.450 6.687 7.099 568 H THR 69 HN THR 69 98.826 0.616 7.563 569 HA THR 69 HA THR 69 99.937 -0.668 9.860 570 HB THR 69 HB THR 69 97.868 -1.844 7.987 571 HG1 THR 69 HG1 THR 69 97.771 0.266 9.810 572 1HG2 THR 69 HG21 THR 69 97.032 -2.869 10.081 573 2HG2 THR 69 HG22 THR 69 98.367 -2.130 10.963 574 3HG2 THR 69 HG23 THR 69 98.691 -3.354 9.737 575 H PHE 70 HN PHE 70 99.701 -1.761 6.468 576 HA PHE 70 HA PHE 70 101.777 -3.822 7.113 577 1HB PHE 70 HB2 PHE 70 99.521 -3.778 5.122 578 2HB PHE 70 HB1 PHE 70 100.851 -4.917 4.974 579 HD1 PHE 70 HD1 PHE 70 101.337 -6.506 6.882 580 HD2 PHE 70 HD2 PHE 70 97.772 -4.115 6.715 581 HE1 PHE 70 HE1 PHE 70 100.272 -7.977 8.570 582 HE2 PHE 70 HE2 PHE 70 96.706 -5.587 8.403 583 HZ PHE 70 HZ PHE 70 97.956 -7.517 9.331 584 H GLY 71 HN GLY 71 100.634 -1.736 4.443 585 1HA GLY 71 HA2 GLY 71 102.732 -0.270 3.710 586 2HA GLY 71 HA1 GLY 71 103.357 -1.855 3.271 587 HA PRO 72 HA PRO 72 100.960 -0.079 -0.321 588 1HB PRO 72 HB2 PRO 72 103.234 -0.973 -1.924 589 2HB PRO 72 HB1 PRO 72 102.559 0.654 -1.753 590 1HG PRO 72 HG2 PRO 72 104.972 -0.110 -0.751 591 2HG PRO 72 HG1 PRO 72 103.996 1.215 -0.103 592 1HD PRO 72 HD2 PRO 72 104.388 -1.539 0.972 593 2HD PRO 72 HD1 PRO 72 104.109 -0.014 1.840 594 H GLU 73 HN GLU 73 102.513 -3.125 0.352 595 HA GLU 73 HA GLU 73 101.683 -4.663 -1.869 596 1HB GLU 73 HB2 GLU 73 101.973 -5.411 1.053 597 2HB GLU 73 HB1 GLU 73 101.663 -6.593 -0.219 598 1HG GLU 73 HG2 GLU 73 103.723 -5.910 -1.375 599 2HG GLU 73 HG1 GLU 73 104.028 -4.694 -0.133 600 H LYS 74 HN LYS 74 99.950 -4.107 1.215 601 HA LYS 74 HA LYS 74 97.576 -5.487 0.411 602 1HB LYS 74 HB2 LYS 74 97.969 -3.257 2.425 603 2HB LYS 74 HB1 LYS 74 96.507 -4.221 2.284 604 1HG LYS 74 HG2 LYS 74 99.260 -5.339 2.865 605 2HG LYS 74 HG1 LYS 74 98.001 -5.071 4.070 606 1HD LYS 74 HD2 LYS 74 96.535 -6.537 2.452 607 2HD LYS 74 HD1 LYS 74 98.103 -7.109 1.880 608 1HE LYS 74 HE2 LYS 74 98.738 -7.709 4.175 609 2HE LYS 74 HE1 LYS 74 97.168 -7.148 4.755 610 1HZ LYS 74 HZ1 LYS 74 96.297 -9.096 4.225 611 2HZ LYS 74 HZ2 LYS 74 97.818 -9.653 3.711 612 3HZ LYS 74 HZ3 LYS 74 96.765 -8.906 2.605 613 H VAL 75 HN VAL 75 98.456 -2.050 0.287 614 HA VAL 75 HA VAL 75 96.434 -1.719 -1.863 615 HB VAL 75 HB VAL 75 95.562 0.321 -0.847 616 1HG1 VAL 75 HG11 VAL 75 94.241 -0.720 0.860 617 2HG1 VAL 75 HG12 VAL 75 95.499 -1.908 1.200 618 3HG1 VAL 75 HG13 VAL 75 94.606 -1.979 -0.320 619 1HG2 VAL 75 HG21 VAL 75 96.367 0.197 1.812 620 2HG2 VAL 75 HG22 VAL 75 96.943 1.358 0.614 621 3HG2 VAL 75 HG23 VAL 75 97.857 -0.121 0.921 622 HA PRO 76 HA PRO 76 100.430 0.403 -2.778 623 1HB PRO 76 HB2 PRO 76 100.738 -0.628 -5.284 624 2HB PRO 76 HB1 PRO 76 101.278 -1.463 -3.817 625 1HG PRO 76 HG2 PRO 76 98.942 -1.984 -5.526 626 2HG PRO 76 HG1 PRO 76 99.885 -3.101 -4.546 627 1HD PRO 76 HD2 PRO 76 97.384 -2.021 -3.897 628 2HD PRO 76 HD1 PRO 76 98.475 -2.864 -2.778 629 H VAL 77 HN VAL 77 100.938 1.510 -5.153 630 HA VAL 77 HA VAL 77 99.042 3.619 -5.401 631 HB VAL 77 HB VAL 77 101.138 2.679 -7.387 632 1HG1 VAL 77 HG11 VAL 77 100.869 5.364 -7.754 633 2HG1 VAL 77 HG12 VAL 77 99.208 4.923 -7.359 634 3HG1 VAL 77 HG13 VAL 77 100.023 4.157 -8.722 635 1HG2 VAL 77 HG21 VAL 77 102.646 3.576 -5.975 636 2HG2 VAL 77 HG22 VAL 77 101.357 3.865 -4.808 637 3HG2 VAL 77 HG23 VAL 77 101.771 5.107 -5.990 638 H THR 78 HN THR 78 99.127 0.450 -6.785 639 HA THR 78 HA THR 78 97.605 0.909 -9.153 640 HB THR 78 HB THR 78 97.210 -1.455 -9.173 641 HG1 THR 78 HG1 THR 78 97.369 -2.678 -7.306 642 1HG2 THR 78 HG21 THR 78 99.652 -0.547 -9.189 643 2HG2 THR 78 HG22 THR 78 99.400 -2.281 -8.991 644 3HG2 THR 78 HG23 THR 78 99.762 -1.276 -7.588 645 H ALA 79 HN ALA 79 96.626 0.338 -5.790 646 HA ALA 79 HA ALA 79 93.849 -0.013 -6.215 647 1HB ALA 79 HB1 ALA 79 95.384 1.232 -3.922 648 2HB ALA 79 HB2 ALA 79 94.718 -0.400 -4.018 649 3HB ALA 79 HB3 ALA 79 93.639 0.988 -3.880 650 H PHE 80 HN PHE 80 95.679 3.004 -5.650 651 HA PHE 80 HA PHE 80 93.401 4.733 -5.901 652 1HB PHE 80 HB2 PHE 80 96.358 5.246 -6.339 653 2HB PHE 80 HB1 PHE 80 95.129 6.512 -6.312 654 HD1 PHE 80 HD1 PHE 80 97.033 4.103 -4.312 655 HD2 PHE 80 HD2 PHE 80 93.887 7.025 -4.240 656 HE1 PHE 80 HE1 PHE 80 97.135 4.149 -1.836 657 HE2 PHE 80 HE2 PHE 80 93.988 7.071 -1.762 658 HZ PHE 80 HZ PHE 80 95.611 5.632 -0.561 659 H SER 81 HN SER 81 95.724 3.434 -8.241 660 HA SER 81 HA SER 81 94.948 5.034 -10.468 661 1HB SER 81 HB2 SER 81 96.965 3.592 -10.456 662 2HB SER 81 HB1 SER 81 95.937 2.163 -10.453 663 HG SER 81 HG SER 81 95.701 2.404 -12.520 664 H TYR 82 HN TYR 82 93.742 1.867 -9.343 665 HA TYR 82 HA TYR 82 91.836 1.523 -11.449 666 1HB TYR 82 HB2 TYR 82 92.064 0.424 -8.651 667 2HB TYR 82 HB1 TYR 82 90.676 0.036 -9.667 668 HD1 TYR 82 HD1 TYR 82 93.911 -1.004 -8.758 669 HD2 TYR 82 HD2 TYR 82 91.328 -0.659 -12.172 670 HE1 TYR 82 HE1 TYR 82 95.252 -2.715 -9.944 671 HE2 TYR 82 HE2 TYR 82 92.667 -2.377 -13.356 672 HH TYR 82 HH TYR 82 94.381 -4.468 -12.233 673 H TRP 83 HN TRP 83 91.536 2.967 -8.206 674 HA TRP 83 HA TRP 83 88.739 3.555 -8.409 675 1HB TRP 83 HB2 TRP 83 90.447 3.677 -6.369 676 2HB TRP 83 HB1 TRP 83 90.546 5.366 -6.864 677 HD1 TRP 83 HD1 TRP 83 88.370 6.857 -6.644 678 HE1 TRP 83 HE1 TRP 83 86.183 6.545 -5.314 679 HE3 TRP 83 HE3 TRP 83 88.731 1.896 -5.500 680 HZ2 TRP 83 HZ2 TRP 83 84.774 4.463 -3.953 681 HZ3 TRP 83 HZ3 TRP 83 86.957 0.774 -4.185 682 HH2 TRP 83 HH2 TRP 83 84.979 2.052 -3.410 683 H ASN 84 HN ASN 84 91.646 5.345 -9.358 684 HA ASN 84 HA ASN 84 90.466 7.846 -9.951 685 1HB ASN 84 HB2 ASN 84 92.770 6.344 -11.221 686 2HB ASN 84 HB1 ASN 84 92.318 7.973 -11.727 687 1HD2 ASN 84 HD21 ASN 84 91.503 7.845 -8.512 688 2HD2 ASN 84 HD22 ASN 84 92.939 8.436 -7.831 689 H LEU 85 HN LEU 85 90.704 4.896 -11.931 690 HA LEU 85 HA LEU 85 89.444 6.019 -14.267 691 1HB LEU 85 HB2 LEU 85 89.536 3.143 -13.297 692 2HB LEU 85 HB1 LEU 85 89.069 3.652 -14.919 693 HG LEU 85 HG LEU 85 91.761 4.186 -13.627 694 1HD1 LEU 85 HD11 LEU 85 91.437 1.812 -14.200 695 2HD1 LEU 85 HD12 LEU 85 92.603 2.563 -15.290 696 3HD1 LEU 85 HD13 LEU 85 90.951 2.269 -15.833 697 1HD2 LEU 85 HD21 LEU 85 90.440 5.057 -16.158 698 2HD2 LEU 85 HD22 LEU 85 92.147 4.629 -16.246 699 3HD2 LEU 85 HD23 LEU 85 91.613 5.906 -15.154 700 H ILE 86 HN ILE 86 88.171 4.331 -11.416 701 HA ILE 86 HA ILE 86 85.455 4.208 -12.321 702 HB ILE 86 HB ILE 86 86.762 4.134 -9.610 703 1HG1 ILE 86 HG12 ILE 86 86.545 2.203 -11.418 704 2HG1 ILE 86 HG11 ILE 86 86.316 1.855 -9.703 705 1HG2 ILE 86 HG21 ILE 86 83.840 4.382 -10.272 706 2HG2 ILE 86 HG22 ILE 86 84.759 5.219 -9.025 707 3HG2 ILE 86 HG23 ILE 86 84.359 3.516 -8.828 708 1HD1 ILE 86 HD11 ILE 86 83.967 1.800 -9.901 709 2HD1 ILE 86 HD12 ILE 86 84.516 0.991 -11.368 710 3HD1 ILE 86 HD13 ILE 86 83.978 2.666 -11.436 711 H LYS 87 HN LYS 87 87.237 6.636 -10.435 712 HA LYS 87 HA LYS 87 85.105 8.352 -9.796 713 1HB LYS 87 HB2 LYS 87 87.461 8.621 -9.008 714 2HB LYS 87 HB1 LYS 87 87.893 9.209 -10.614 715 1HG LYS 87 HG2 LYS 87 86.322 11.069 -10.393 716 2HG LYS 87 HG1 LYS 87 85.783 10.460 -8.828 717 1HD LYS 87 HD2 LYS 87 88.082 10.741 -7.942 718 2HD LYS 87 HD1 LYS 87 88.591 11.392 -9.501 719 1HE LYS 87 HE2 LYS 87 86.997 13.242 -9.279 720 2HE LYS 87 HE1 LYS 87 86.420 12.580 -7.750 721 1HZ LYS 87 HZ1 LYS 87 89.058 13.757 -8.365 722 2HZ LYS 87 HZ2 LYS 87 88.839 12.733 -7.026 723 3HZ LYS 87 HZ3 LYS 87 87.965 14.186 -7.139 724 H GLU 88 HN GLU 88 86.994 8.101 -12.808 725 HA GLU 88 HA GLU 88 85.725 10.371 -14.072 726 1HB GLU 88 HB2 GLU 88 87.089 7.966 -15.327 727 2HB GLU 88 HB1 GLU 88 86.724 9.488 -16.141 728 1HG GLU 88 HG2 GLU 88 88.463 9.280 -13.670 729 2HG GLU 88 HG1 GLU 88 89.093 9.321 -15.311 730 H LEU 89 HN LEU 89 85.074 6.878 -14.050 731 HA LEU 89 HA LEU 89 83.034 6.909 -16.040 732 1HB LEU 89 HB2 LEU 89 83.862 5.073 -13.847 733 2HB LEU 89 HB1 LEU 89 82.221 4.869 -14.462 734 HG LEU 89 HG LEU 89 83.190 4.756 -16.788 735 1HD1 LEU 89 HD11 LEU 89 85.351 5.950 -16.034 736 2HD1 LEU 89 HD12 LEU 89 85.530 4.598 -17.130 737 3HD1 LEU 89 HD13 LEU 89 85.849 4.384 -15.412 738 1HD2 LEU 89 HD21 LEU 89 84.664 2.559 -15.707 739 2HD2 LEU 89 HD22 LEU 89 83.066 2.543 -16.451 740 3HD2 LEU 89 HD23 LEU 89 83.228 2.796 -14.715 741 H ILE 90 HN ILE 90 82.820 7.215 -12.501 742 HA ILE 90 HA ILE 90 79.941 7.585 -12.550 743 HB ILE 90 HB ILE 90 80.215 8.190 -10.173 744 1HG1 ILE 90 HG12 ILE 90 83.136 8.175 -10.918 745 2HG1 ILE 90 HG11 ILE 90 82.222 9.531 -10.275 746 1HG2 ILE 90 HG21 ILE 90 80.641 6.044 -9.546 747 2HG2 ILE 90 HG22 ILE 90 82.173 5.990 -10.415 748 3HG2 ILE 90 HG23 ILE 90 80.660 5.754 -11.285 749 1HD1 ILE 90 HD11 ILE 90 81.747 7.880 -8.279 750 2HD1 ILE 90 HD12 ILE 90 83.277 8.756 -8.349 751 3HD1 ILE 90 HD13 ILE 90 83.201 7.071 -8.862 752 H ASP 91 HN ASP 91 82.743 9.710 -12.661 753 HA ASP 91 HA ASP 91 81.428 12.168 -12.076 754 1HB ASP 91 HB2 ASP 91 83.884 11.974 -12.223 755 2HB ASP 91 HB1 ASP 91 83.762 11.643 -13.952 756 H LYS 92 HN LYS 92 81.813 10.390 -15.135 757 HA LYS 92 HA LYS 92 80.659 12.366 -16.838 758 1HB LYS 92 HB2 LYS 92 80.711 9.342 -17.041 759 2HB LYS 92 HB1 LYS 92 80.135 10.398 -18.331 760 1HG LYS 92 HG2 LYS 92 82.321 11.519 -18.414 761 2HG LYS 92 HG1 LYS 92 82.903 10.500 -17.102 762 1HD LYS 92 HD2 LYS 92 82.561 8.494 -18.484 763 2HD LYS 92 HD1 LYS 92 81.954 9.499 -19.800 764 1HE LYS 92 HE2 LYS 92 84.724 9.740 -18.587 765 2HE LYS 92 HE1 LYS 92 84.357 8.894 -20.091 766 1HZ LYS 92 HZ1 LYS 92 84.578 11.712 -19.585 767 2HZ LYS 92 HZ2 LYS 92 83.159 11.299 -20.424 768 3HZ LYS 92 HZ3 LYS 92 84.679 10.864 -21.050 769 H LYS 93 HN LYS 93 79.181 9.753 -14.923 770 HA LYS 93 HA LYS 93 76.486 10.640 -15.798 771 1HB LYS 93 HB2 LYS 93 77.090 8.188 -15.636 772 2HB LYS 93 HB1 LYS 93 77.208 8.400 -13.889 773 1HG LYS 93 HG2 LYS 93 74.876 9.119 -13.780 774 2HG LYS 93 HG1 LYS 93 74.742 9.025 -15.536 775 1HD LYS 93 HD2 LYS 93 75.229 6.603 -15.443 776 2HD LYS 93 HD1 LYS 93 75.327 6.698 -13.684 777 1HE LYS 93 HE2 LYS 93 72.884 7.407 -15.335 778 2HE LYS 93 HE1 LYS 93 73.098 5.911 -14.427 779 1HZ LYS 93 HZ1 LYS 93 71.925 7.255 -12.978 780 2HZ LYS 93 HZ2 LYS 93 72.776 8.660 -13.412 781 3HZ LYS 93 HZ3 LYS 93 73.525 7.472 -12.458 782 H GLU 94 HN GLU 94 75.614 12.299 -14.653 783 HA GLU 94 HA GLU 94 76.536 12.874 -11.924 784 1HB GLU 94 HB2 GLU 94 74.478 14.219 -13.704 785 2HB GLU 94 HB1 GLU 94 74.957 14.813 -12.114 786 1HG GLU 94 HG2 GLU 94 76.878 14.363 -14.416 787 2HG GLU 94 HG1 GLU 94 76.187 15.929 -13.989 788 H VAL 95 HN VAL 95 75.589 11.991 -10.169 789 HA VAL 95 HA VAL 95 72.671 11.354 -10.301 790 HB VAL 95 HB VAL 95 73.937 9.261 -10.682 791 1HG1 VAL 95 HG11 VAL 95 75.827 8.792 -9.543 792 2HG1 VAL 95 HG12 VAL 95 75.014 9.025 -7.993 793 3HG1 VAL 95 HG13 VAL 95 75.719 10.406 -8.839 794 1HG2 VAL 95 HG21 VAL 95 73.019 8.977 -7.862 795 2HG2 VAL 95 HG22 VAL 95 72.585 8.031 -9.285 796 3HG2 VAL 95 HG23 VAL 95 71.845 9.607 -9.015 797 H ASN 96 HN ASN 96 71.607 11.466 -8.252 798 HA ASN 96 HA ASN 96 73.235 12.759 -6.095 799 1HB ASN 96 HB2 ASN 96 71.685 14.330 -7.206 800 2HB ASN 96 HB1 ASN 96 70.338 13.285 -6.755 801 1HD2 ASN 96 HD21 ASN 96 71.392 16.121 -5.819 802 2HD2 ASN 96 HD22 ASN 96 71.294 16.005 -4.128 803 HA PRO 97 HA PRO 97 71.652 8.689 -4.507 804 1HB PRO 97 HB2 PRO 97 73.797 9.381 -2.550 805 2HB PRO 97 HB1 PRO 97 73.472 7.843 -3.371 806 1HG PRO 97 HG2 PRO 97 75.499 9.399 -4.106 807 2HG PRO 97 HG1 PRO 97 74.551 8.490 -5.296 808 1HD PRO 97 HD2 PRO 97 74.495 11.410 -4.674 809 2HD PRO 97 HD1 PRO 97 74.244 10.576 -6.224 810 H GLN 98 HN GLN 98 72.605 11.514 -2.520 811 HA GLN 98 HA GLN 98 69.988 11.348 -1.139 812 1HB GLN 98 HB2 GLN 98 72.684 11.186 0.217 813 2HB GLN 98 HB1 GLN 98 71.230 11.699 1.075 814 1HG GLN 98 HG2 GLN 98 70.125 9.576 0.470 815 2HG GLN 98 HG1 GLN 98 71.579 9.061 -0.385 816 1HE2 GLN 98 HE21 GLN 98 70.017 8.663 2.520 817 2HE2 GLN 98 HE22 GLN 98 71.350 8.325 3.514 818 H VAL 99 HN VAL 99 72.947 13.140 -0.314 819 HA VAL 99 HA VAL 99 71.537 15.653 -1.136 820 HB VAL 99 HB VAL 99 73.248 15.152 1.314 821 1HG1 VAL 99 HG11 VAL 99 73.851 17.321 0.497 822 2HG1 VAL 99 HG12 VAL 99 72.669 17.595 1.774 823 3HG1 VAL 99 HG13 VAL 99 72.179 17.703 0.083 824 1HG2 VAL 99 HG21 VAL 99 70.715 16.445 1.765 825 2HG2 VAL 99 HG22 VAL 99 71.279 14.892 2.381 826 3HG2 VAL 99 HG23 VAL 99 70.453 14.976 0.826 827 H MET 100 HN MET 100 72.637 16.052 -3.041 828 HA MET 100 HA MET 100 74.460 16.497 -4.461 829 1HB MET 100 HB2 MET 100 75.448 17.578 -1.807 830 2HB MET 100 HB1 MET 100 76.265 17.859 -3.345 831 1HG MET 100 HG2 MET 100 74.291 18.964 -4.246 832 2HG MET 100 HG1 MET 100 73.373 18.581 -2.791 833 1HE MET 100 HE1 MET 100 77.249 19.937 -2.996 834 2HE MET 100 HE2 MET 100 76.743 21.571 -3.408 835 3HE MET 100 HE3 MET 100 76.240 20.222 -4.419
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